USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1028 hydrogens (0 hets) HEADER PEPTIDE BINDING PROTEIN 06-JAN-16 5HFB TITLE THE THIRD PDZ DOMAIN FROM THE SYNAPTIC PROTEIN PSD-95 (H372A MUTANT) TITLE 2 IN COMPLEX WITH A C-TERMINAL PEPTIDE DERIVED FROM CRIPT 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 OTHER_DETAILS: SYNTHESIZED USING STANDARD FMOC CHEMISTRY, HPCL COMPND 7 PURIFIED, AND LYOPHILIZED. 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 5HFB 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. 1.62 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) : 1.62 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 40.07 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.460 REMARK 3 COMPLETENESS FOR RANGE (%) : 92.5 REMARK 3 NUMBER OF REFLECTIONS : 15110 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.178 REMARK 3 R VALUE (WORKING SET) : 0.175 REMARK 3 FREE R VALUE : 0.203 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.010 REMARK 3 FREE R VALUE TEST SET COUNT : 1513 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 40.0791 - 3.5930 1.00 1479 166 0.1744 0.1743 REMARK 3 2 3.5930 - 2.8521 1.00 1378 153 0.1611 0.2230 REMARK 3 3 2.8521 - 2.4916 1.00 1337 149 0.1623 0.2025 REMARK 3 4 2.4916 - 2.2638 1.00 1342 149 0.1637 0.1769 REMARK 3 5 2.2638 - 2.1016 1.00 1326 147 0.1699 0.2192 REMARK 3 6 2.1016 - 1.9777 1.00 1311 147 0.1843 0.2149 REMARK 3 7 1.9777 - 1.8786 1.00 1318 146 0.1992 0.2213 REMARK 3 8 1.8786 - 1.7969 1.00 1315 146 0.1731 0.2025 REMARK 3 9 1.7969 - 1.7277 0.99 1266 141 0.1915 0.2400 REMARK 3 10 1.7277 - 1.6681 0.86 1116 124 0.2394 0.2396 REMARK 3 11 1.6681 - 1.6159 0.31 409 45 0.3110 0.3207 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) : 0.140 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 19.500 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 : 0.006 1082 REMARK 3 ANGLE : 0.945 1487 REMARK 3 CHIRALITY : 0.048 166 REMARK 3 PLANARITY : 0.004 209 REMARK 3 DIHEDRAL : 23.284 410 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 5 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: (CHAIN A AND RESID 299:319) REMARK 3 ORIGIN FOR THE GROUP (A): 46.4960 65.8960 41.9586 REMARK 3 T TENSOR REMARK 3 T11: 0.1460 T22: 0.1620 REMARK 3 T33: 0.1881 T12: -0.0224 REMARK 3 T13: -0.0157 T23: 0.0348 REMARK 3 L TENSOR REMARK 3 L11: 2.0163 L22: 1.9295 REMARK 3 L33: 2.0243 L12: 0.7956 REMARK 3 L13: -0.4293 L23: 0.6650 REMARK 3 S TENSOR REMARK 3 S11: 0.0546 S12: -0.1137 S13: 0.0996 REMARK 3 S21: 0.1458 S22: -0.0554 S23: -0.4865 REMARK 3 S31: -0.2030 S32: 0.3470 S33: 0.0305 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: (CHAIN A AND RESID 320:339) REMARK 3 ORIGIN FOR THE GROUP (A): 37.9785 58.3849 27.0758 REMARK 3 T TENSOR REMARK 3 T11: 0.1070 T22: 0.1445 REMARK 3 T33: 0.0692 T12: -0.0509 REMARK 3 T13: -0.0300 T23: 0.0134 REMARK 3 L TENSOR REMARK 3 L11: 3.3344 L22: 2.6993 REMARK 3 L33: 3.5926 L12: -1.8774 REMARK 3 L13: -0.3836 L23: -1.3475 REMARK 3 S TENSOR REMARK 3 S11: -0.0854 S12: 0.2798 S13: -0.1210 REMARK 3 S21: -0.1947 S22: 0.0788 S23: 0.1252 REMARK 3 S31: 0.3329 S32: -0.4009 S33: 0.0336 REMARK 3 TLS GROUP : 3 REMARK 3 SELECTION: (CHAIN A AND RESID 340:381) REMARK 3 ORIGIN FOR THE GROUP (A): 37.0338 61.8970 30.6361 REMARK 3 T TENSOR REMARK 3 T11: 0.0810 T22: 0.1198 REMARK 3 T33: 0.0757 T12: -0.0054 REMARK 3 T13: -0.0151 T23: 0.0295 REMARK 3 L TENSOR REMARK 3 L11: 1.7427 L22: 1.5310 REMARK 3 L33: 1.7183 L12: -0.0687 REMARK 3 L13: -1.0042 L23: -0.8140 REMARK 3 S TENSOR REMARK 3 S11: 0.0201 S12: 0.2676 S13: 0.1265 REMARK 3 S21: -0.0728 S22: 0.1147 S23: 0.0776 REMARK 3 S31: -0.0681 S32: -0.2991 S33: -0.0705 REMARK 3 TLS GROUP : 4 REMARK 3 SELECTION: (CHAIN A AND RESID 382:415) REMARK 3 ORIGIN FOR THE GROUP (A): 45.1624 55.0137 35.9402 REMARK 3 T TENSOR REMARK 3 T11: 0.0866 T22: 0.0679 REMARK 3 T33: 0.0788 T12: -0.0135 REMARK 3 T13: -0.0020 T23: 0.0061 REMARK 3 L TENSOR REMARK 3 L11: 2.1115 L22: 2.6284 REMARK 3 L33: 2.6713 L12: -1.3477 REMARK 3 L13: -0.1746 L23: -0.2041 REMARK 3 S TENSOR REMARK 3 S11: -0.1158 S12: 0.0145 S13: 0.0088 REMARK 3 S21: 0.1145 S22: 0.1793 S23: -0.1086 REMARK 3 S31: 0.1357 S32: 0.0385 S33: -0.0198 REMARK 3 TLS GROUP : 5 REMARK 3 SELECTION: (CHAIN B AND RESID 4:9) REMARK 3 ORIGIN FOR THE GROUP (A): 39.1189 55.0391 22.5668 REMARK 3 T TENSOR REMARK 3 T11: 0.3725 T22: 0.2790 REMARK 3 T33: 0.3723 T12: -0.0175 REMARK 3 T13: 0.0307 T23: -0.0237 REMARK 3 L TENSOR REMARK 3 L11: 4.9680 L22: 5.0098 REMARK 3 L33: 2.1806 L12: -4.9661 REMARK 3 L13: 0.7368 L23: -0.4305 REMARK 3 S TENSOR REMARK 3 S11: -0.0759 S12: 0.3272 S13: -0.6698 REMARK 3 S21: -0.1651 S22: -0.1514 S23: 1.0764 REMARK 3 S31: 0.8338 S32: 0.0632 S33: 0.2020 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 5HFB 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_1000216945. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 20-SEP-12 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU FR-E SUPERBRIGHT REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.54178 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV++ REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 15110 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.616 REMARK 200 RESOLUTION RANGE LOW (A) : 40.067 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 92.5 REMARK 200 DATA REDUNDANCY : 13.30 REMARK 200 R MERGE (I) : 0.03500 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 65.5150 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : 1.60 REMARK 200 R MERGE FOR SHELL (I) : 0.33800 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 0.936 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): 2.17 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 7.0. EQUAL AMOUNTS REMARK 280 (1.5 MICROLITERS) OF PROTEIN (8 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 44.79600 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 44.79600 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 44.79600 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 44.79600 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 44.79600 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 44.79600 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 44.79600 REMARK 290 SMTRY2 6 -1.000000 0.000000 0.000000 44.79600 REMARK 290 SMTRY3 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 7 0.000000 0.000000 -1.000000 44.79600 REMARK 290 SMTRY2 7 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 1.000000 0.000000 44.79600 REMARK 290 SMTRY1 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 8 1.000000 0.000000 0.000000 44.79600 REMARK 290 SMTRY3 8 0.000000 -1.000000 0.000000 44.79600 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 44.79600 REMARK 290 SMTRY3 10 -1.000000 0.000000 0.000000 44.79600 REMARK 290 SMTRY1 11 0.000000 1.000000 0.000000 44.79600 REMARK 290 SMTRY2 11 0.000000 0.000000 -1.000000 44.79600 REMARK 290 SMTRY3 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 12 0.000000 -1.000000 0.000000 44.79600 REMARK 290 SMTRY2 12 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 12 1.000000 0.000000 0.000000 44.79600 REMARK 290 SMTRY1 13 0.000000 1.000000 0.000000 67.19400 REMARK 290 SMTRY2 13 1.000000 0.000000 0.000000 22.39800 REMARK 290 SMTRY3 13 0.000000 0.000000 -1.000000 22.39800 REMARK 290 SMTRY1 14 0.000000 -1.000000 0.000000 67.19400 REMARK 290 SMTRY2 14 -1.000000 0.000000 0.000000 67.19400 REMARK 290 SMTRY3 14 0.000000 0.000000 -1.000000 67.19400 REMARK 290 SMTRY1 15 0.000000 1.000000 0.000000 22.39800 REMARK 290 SMTRY2 15 -1.000000 0.000000 0.000000 22.39800 REMARK 290 SMTRY3 15 0.000000 0.000000 1.000000 67.19400 REMARK 290 SMTRY1 16 0.000000 -1.000000 0.000000 22.39800 REMARK 290 SMTRY2 16 1.000000 0.000000 0.000000 67.19400 REMARK 290 SMTRY3 16 0.000000 0.000000 1.000000 22.39800 REMARK 290 SMTRY1 17 1.000000 0.000000 0.000000 67.19400 REMARK 290 SMTRY2 17 0.000000 0.000000 1.000000 22.39800 REMARK 290 SMTRY3 17 0.000000 -1.000000 0.000000 22.39800 REMARK 290 SMTRY1 18 -1.000000 0.000000 0.000000 22.39800 REMARK 290 SMTRY2 18 0.000000 0.000000 1.000000 67.19400 REMARK 290 SMTRY3 18 0.000000 1.000000 0.000000 22.39800 REMARK 290 SMTRY1 19 -1.000000 0.000000 0.000000 67.19400 REMARK 290 SMTRY2 19 0.000000 0.000000 -1.000000 67.19400 REMARK 290 SMTRY3 19 0.000000 -1.000000 0.000000 67.19400 REMARK 290 SMTRY1 20 1.000000 0.000000 0.000000 22.39800 REMARK 290 SMTRY2 20 0.000000 0.000000 -1.000000 22.39800 REMARK 290 SMTRY3 20 0.000000 1.000000 0.000000 67.19400 REMARK 290 SMTRY1 21 0.000000 0.000000 1.000000 67.19400 REMARK 290 SMTRY2 21 0.000000 1.000000 0.000000 22.39800 REMARK 290 SMTRY3 21 -1.000000 0.000000 0.000000 22.39800 REMARK 290 SMTRY1 22 0.000000 0.000000 1.000000 22.39800 REMARK 290 SMTRY2 22 0.000000 -1.000000 0.000000 22.39800 REMARK 290 SMTRY3 22 1.000000 0.000000 0.000000 67.19400 REMARK 290 SMTRY1 23 0.000000 0.000000 -1.000000 22.39800 REMARK 290 SMTRY2 23 0.000000 1.000000 0.000000 67.19400 REMARK 290 SMTRY3 23 1.000000 0.000000 0.000000 22.39800 REMARK 290 SMTRY1 24 0.000000 0.000000 -1.000000 67.19400 REMARK 290 SMTRY2 24 0.000000 -1.000000 0.000000 67.19400 REMARK 290 SMTRY3 24 -1.000000 0.000000 0.000000 67.19400 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: 830 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 6790 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -3.0 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 610 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 637 LIES ON A SPECIAL POSITION. REMARK 375 HOH B 104 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 SER A 298 REMARK 465 THR B 1 REMARK 465 LYS B 2 REMARK 465 ASN B 3 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 5 CG CD 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 OD1 ASN A 326 HG SER B 8 1.60 REMARK 500 O HOH A 551 O HOH A 603 2.15 REMARK 500 REMARK 500 REMARK: NULL 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: 5HFC RELATED DB: PDB REMARK 900 RELATED ID: 5HFD RELATED DB: PDB REMARK 900 RELATED ID: 5HFE RELATED DB: PDB REMARK 900 RELATED ID: 5HFF RELATED DB: PDB DBREF 5HFB A 302 402 UNP P31016 DLG4_RAT 302 402 DBREF 5HFB B 1 9 UNP Q792Q4 CRIPT_RAT 93 101 SEQADV 5HFB GLY A 297 UNP P31016 EXPRESSION TAG SEQADV 5HFB SER A 298 UNP P31016 EXPRESSION TAG SEQADV 5HFB PRO A 299 UNP P31016 EXPRESSION TAG SEQADV 5HFB GLU A 300 UNP P31016 EXPRESSION TAG SEQADV 5HFB PHE A 301 UNP P31016 EXPRESSION TAG SEQADV 5HFB ALA A 372 UNP P31016 HIS 372 ENGINEERED MUTATION SEQADV 5HFB ASN A 403 UNP P31016 EXPRESSION TAG SEQADV 5HFB SER A 404 UNP P31016 EXPRESSION TAG SEQADV 5HFB ARG A 405 UNP P31016 EXPRESSION TAG SEQADV 5HFB VAL A 406 UNP P31016 EXPRESSION TAG SEQADV 5HFB ASP A 407 UNP P31016 EXPRESSION TAG SEQADV 5HFB SER A 408 UNP P31016 EXPRESSION TAG SEQADV 5HFB SER A 409 UNP P31016 EXPRESSION TAG SEQADV 5HFB GLY A 410 UNP P31016 EXPRESSION TAG SEQADV 5HFB ARG A 411 UNP P31016 EXPRESSION TAG SEQADV 5HFB ILE A 412 UNP P31016 EXPRESSION TAG SEQADV 5HFB VAL A 413 UNP P31016 EXPRESSION TAG SEQADV 5HFB THR A 414 UNP P31016 EXPRESSION TAG SEQADV 5HFB ASP A 415 UNP P31016 EXPRESSION TAG SEQRES 1 A 119 GLY SER PRO GLU PHE LEU GLY GLU GLU ASP ILE PRO ARG SEQRES 2 A 119 GLU PRO ARG ARG ILE VAL ILE HIS ARG GLY SER THR GLY SEQRES 3 A 119 LEU GLY PHE ASN ILE VAL GLY GLY GLU ASP GLY GLU GLY SEQRES 4 A 119 ILE PHE ILE SER PHE ILE LEU ALA GLY GLY PRO ALA ASP SEQRES 5 A 119 LEU SER GLY GLU LEU ARG LYS GLY ASP GLN ILE LEU SER SEQRES 6 A 119 VAL ASN GLY VAL ASP LEU ARG ASN ALA SER ALA GLU GLN SEQRES 7 A 119 ALA ALA ILE ALA LEU LYS ASN ALA GLY GLN THR VAL THR SEQRES 8 A 119 ILE ILE ALA GLN TYR LYS PRO GLU GLU TYR SER ARG PHE SEQRES 9 A 119 GLU ALA ASN SER ARG VAL ASP SER SER GLY ARG ILE VAL SEQRES 10 A 119 THR ASP SEQRES 1 B 9 THR LYS ASN TYR LYS GLN THR SER VAL FORMUL 3 HOH *148(H2 O) HELIX 1 AA1 PHE A 301 GLU A 305 5 5 HELIX 2 AA2 GLU A 331 GLU A 334 5 4 HELIX 3 AA3 GLY A 345 GLY A 351 1 7 HELIX 4 AA4 SER A 371 ASN A 381 1 11 HELIX 5 AA5 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 ILE A 336 ILE A 341 0 SHEET 2 AA2 3 PHE A 325 GLY A 329 -1 N VAL A 328 O PHE A 337 SHEET 3 AA2 3 GLN B 6 SER B 8 -1 O THR 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 CRYST1 89.592 89.592 89.592 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 0.011162 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011162 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011162 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= 1.14 K(o=4.3,f=-2!) USER MOD Set 1.2: A 326 ASN B: amide:sc= -0.199! K(o=4.3!,f=2.8) USER MOD Set 1.3: A 339 SER OG : rot 150:sc= 1.35 USER MOD Set 1.4: B 4 TYR OH : rot 180:sc= 0.674 USER MOD Set 1.5: B 6 GLN : amide:sc= 0.128 K(o=4.3,f=-3.9!) USER MOD Set 1.6: B 8 SER OG : rot -72:sc= 1.16 USER MOD Set 2.1: A 404 SER OG B: rot 90:sc= -1.37 USER MOD Set 2.2: A 414 THR OG1A: rot 155:sc= 0.136 USER MOD Set 3.1: A 317 HIS : no HE2:sc= 1.31 K(o=1.3,f=-2.1!) USER MOD Set 3.2: A 385 THR OG1 : rot 180:sc= 0 USER MOD Single : A 320 SER OG A: rot -63:sc= 1.08 USER MOD Single : A 320 SER OG B: rot -65:sc= 0.512 USER MOD Single : A 321 THR OG1A: rot -110:sc= 1.16 USER MOD Single : A 321 THR OG1B: rot 180:sc= 0 USER MOD Single : A 350 SER OG A: rot -70:sc= 1.17 USER MOD Single : A 350 SER OG B: rot -130:sc= 0 USER MOD Single : A 355 LYS NZ A:NH3+ 174:sc= 1.11 (180deg=1.08) USER MOD Single : A 355 LYS NZ B:NH3+ -115:sc= 0.0356 (180deg=-0.172) USER MOD Single : A 358 GLN : amide:sc= 1.28 K(o=1.3,f=0.047) USER MOD Single : A 361 SER OG : rot 82:sc= 1.57 USER MOD Single : A 363 ASN : amide:sc= 0.282 K(o=0.28,f=-5.9!) USER MOD Single : A 369 ASN : amide:sc= 0.616 X(o=0.62,f=0.32) USER MOD Single : A 371 SER OG : rot 136:sc= 1.49 USER MOD Single : A 374 GLN : amide:sc= 0.712 X(o=0.71,f=1.2) USER MOD Single : A 380 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.14) USER MOD Single : A 381 ASN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 384 GLN : amide:sc= 1.39 X(o=1.4,f=1.6) USER MOD Single : A 387 THR OG1 : rot 90:sc= 1.79 USER MOD Single : A 391 GLN : amide:sc= 0.492 K(o=0.49,f=-0.2) USER MOD Single : A 392 TYR OH : rot -133:sc= 2.32 USER MOD Single : A 393 LYS NZ :NH3+ 169:sc= 1.3 (180deg=1.09) USER MOD Single : A 397 TYR OH : rot -156:sc= -2.13! USER MOD Single : A 398 SER OG A: rot -50:sc= 0.948 USER MOD Single : A 398 SER OG B: rot 77:sc= 0.321 USER MOD Single : A 403 ASN : amide:sc= 1.08 K(o=1.1,f=-0.29) USER MOD Single : A 404 SER OG A: rot -99:sc= 0.528 USER MOD Single : A 408 SER OG A: rot 180:sc= 0 USER MOD Single : A 408 SER OG B: rot 180:sc= 0 USER MOD Single : A 409 SER OG : rot -33:sc= 0.747 USER MOD Single : A 414 THR OG1B: rot 152:sc= 1.39 USER MOD Single : B 7 THR OG1A: rot 180:sc= 0 USER MOD Single : B 7 THR OG1B: rot 140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 299 65.562 69.215 48.867 1.00 84.39 N ANISOU 1 N PRO A 299 7852 12176 12035 -1288 -1479 -435 N ATOM 2 CA PRO A 299 64.520 69.263 47.838 1.00 79.69 C ANISOU 2 CA PRO A 299 7417 11421 11439 -1285 -1298 -360 C ATOM 3 C PRO A 299 63.294 68.439 48.210 1.00 71.60 C ANISOU 3 C PRO A 299 6597 10296 10314 -1121 -1376 -219 C ATOM 4 O PRO A 299 63.422 67.395 48.850 1.00 75.61 O ANISOU 4 O PRO A 299 7069 10870 10789 -956 -1527 -145 O ATOM 5 CB PRO A 299 65.214 68.683 46.596 1.00 80.43 C ANISOU 5 CB PRO A 299 7339 11581 11638 -1233 -1152 -306 C ATOM 6 CG PRO A 299 66.516 68.070 47.084 1.00 87.34 C ANISOU 6 CG PRO A 299 7966 12658 12562 -1165 -1287 -309 C ATOM 7 CD PRO A 299 66.541 68.155 48.582 1.00 88.67 C ANISOU 7 CD PRO A 299 8163 12887 12640 -1151 -1514 -372 C ATOM 0 HA PRO A 299 64.181 70.163 47.707 1.00 79.69 H new ATOM 0 HB2 PRO A 299 64.656 68.015 46.168 1.00 80.43 H new ATOM 0 HB3 PRO A 299 65.383 69.376 45.938 1.00 80.43 H new ATOM 0 HG2 PRO A 299 66.584 67.146 46.796 1.00 87.34 H new ATOM 0 HG3 PRO A 299 67.275 68.541 46.706 1.00 87.34 H new ATOM 0 HD2 PRO A 299 66.290 67.314 48.994 1.00 88.67 H new ATOM 0 HD3 PRO A 299 67.424 68.382 48.915 1.00 88.67 H new ATOM 15 N GLU A 300 62.121 68.911 47.805 1.00 54.95 N ANISOU 15 N GLU A 300 4701 8029 8147 -1172 -1268 -179 N ATOM 16 CA GLU A 300 60.862 68.257 48.141 1.00 49.01 C ANISOU 16 CA GLU A 300 4152 7191 7278 -1052 -1322 -60 C ATOM 17 C GLU A 300 60.151 67.810 46.866 1.00 46.45 C ANISOU 17 C GLU A 300 3879 6750 7019 -968 -1153 17 C ATOM 18 O GLU A 300 59.527 68.620 46.181 1.00 35.86 O ANISOU 18 O GLU A 300 2649 5301 5674 -1075 -1009 6 O ATOM 19 CB GLU A 300 59.981 69.206 48.955 1.00 48.44 C ANISOU 19 CB GLU A 300 4302 7056 7047 -1186 -1360 -94 C ATOM 20 CG GLU A 300 58.621 68.656 49.337 1.00 52.40 C ANISOU 20 CG GLU A 300 5023 7482 7404 -1094 -1400 6 C ATOM 21 CD GLU A 300 57.935 69.522 50.377 1.00 55.33 C ANISOU 21 CD GLU A 300 5595 7828 7602 -1220 -1450 -57 C ATOM 22 OE1 GLU A 300 58.429 69.575 51.524 1.00 66.37 O ANISOU 22 OE1 GLU A 300 6973 9326 8918 -1249 -1592 -103 O ATOM 23 OE2 GLU A 300 56.915 70.161 50.047 1.00 39.72 O ANISOU 23 OE2 GLU A 300 3792 5728 5571 -1288 -1342 -69 O ATOM 0 H GLU A 300 62.032 69.620 47.327 1.00 54.95 H new ATOM 0 HA GLU A 300 61.042 67.471 48.681 1.00 49.01 H new ATOM 0 HB2 GLU A 300 60.455 69.449 49.766 1.00 48.44 H new ATOM 0 HB3 GLU A 300 59.853 70.022 48.446 1.00 48.44 H new ATOM 0 HG2 GLU A 300 58.062 68.596 48.546 1.00 52.40 H new ATOM 0 HG3 GLU A 300 58.722 67.755 49.682 1.00 52.40 H new ATOM 30 N PHE A 301 60.249 66.517 46.563 1.00 44.80 N ANISOU 30 N PHE A 301 3597 6555 6869 -773 -1166 94 N ATOM 31 CA PHE A 301 59.771 65.977 45.292 1.00 40.66 C ANISOU 31 CA PHE A 301 3086 5938 6425 -683 -992 142 C ATOM 32 C PHE A 301 58.312 65.543 45.352 1.00 44.22 C ANISOU 32 C PHE A 301 3745 6282 6775 -605 -993 238 C ATOM 33 O PHE A 301 57.887 64.854 46.280 1.00 49.51 O ANISOU 33 O PHE A 301 4503 6962 7348 -510 -1138 300 O ATOM 34 CB PHE A 301 60.643 64.794 44.860 1.00 34.53 C ANISOU 34 CB PHE A 301 2129 5220 5770 -517 -977 152 C ATOM 35 CG PHE A 301 62.073 65.158 44.640 1.00 37.40 C ANISOU 35 CG PHE A 301 2268 5707 6235 -591 -953 56 C ATOM 36 CD1 PHE A 301 62.429 66.004 43.606 1.00 36.04 C ANISOU 36 CD1 PHE A 301 2046 5528 6119 -737 -764 -15 C ATOM 37 CD2 PHE A 301 63.068 64.664 45.470 1.00 46.57 C ANISOU 37 CD2 PHE A 301 3274 7000 7421 -523 -1117 45 C ATOM 38 CE1 PHE A 301 63.751 66.351 43.398 1.00 41.21 C ANISOU 38 CE1 PHE A 301 2497 6311 6849 -826 -734 -91 C ATOM 39 CE2 PHE A 301 64.394 65.006 45.266 1.00 52.67 C ANISOU 39 CE2 PHE A 301 3821 7910 8281 -600 -1096 -39 C ATOM 40 CZ PHE A 301 64.735 65.853 44.230 1.00 48.28 C ANISOU 40 CZ PHE A 301 3216 7352 7778 -758 -902 -104 C ATOM 0 H PHE A 301 60.594 65.929 47.088 1.00 44.80 H new ATOM 0 HA PHE A 301 59.835 66.692 44.640 1.00 40.66 H new ATOM 0 HB2 PHE A 301 60.594 64.101 45.537 1.00 34.53 H new ATOM 0 HB3 PHE A 301 60.283 64.418 44.042 1.00 34.53 H new ATOM 0 HD1 PHE A 301 61.771 66.344 43.043 1.00 36.04 H new ATOM 0 HD2 PHE A 301 62.842 64.097 46.171 1.00 46.57 H new ATOM 0 HE1 PHE A 301 63.978 66.920 42.698 1.00 41.21 H new ATOM 0 HE2 PHE A 301 65.054 64.666 45.826 1.00 52.67 H new ATOM 0 HZ PHE A 301 65.624 66.087 44.093 1.00 48.28 H new ATOM 50 N LEU A 302 57.553 65.952 44.341 1.00 36.83 N ANISOU 50 N LEU A 302 2947 5240 5805 -629 -793 229 N ATOM 51 CA LEU A 302 56.140 65.624 44.254 1.00 35.25 C ANISOU 51 CA LEU A 302 2989 4940 5467 -544 -737 281 C ATOM 52 C LEU A 302 55.962 64.124 44.084 1.00 33.31 C ANISOU 52 C LEU A 302 2709 4689 5260 -355 -752 351 C ATOM 53 O LEU A 302 54.978 63.551 44.546 1.00 33.47 O ANISOU 53 O LEU A 302 2893 4662 5163 -273 -791 404 O ATOM 54 CB LEU A 302 55.487 66.366 43.087 1.00 38.83 C ANISOU 54 CB LEU A 302 3568 5296 5890 -602 -527 259 C ATOM 55 CG LEU A 302 55.234 67.871 43.246 1.00 33.75 C ANISOU 55 CG LEU A 302 3047 4598 5181 -769 -490 207 C ATOM 56 CD1 LEU A 302 54.220 68.129 44.343 1.00 41.81 C ANISOU 56 CD1 LEU A 302 4260 5579 6046 -769 -589 207 C ATOM 57 CD2 LEU A 302 56.510 68.629 43.526 1.00 39.21 C ANISOU 57 CD2 LEU A 302 3568 5361 5971 -923 -536 138 C ATOM 0 H LEU A 302 57.845 66.428 43.687 1.00 36.83 H new ATOM 0 HA LEU A 302 55.708 65.902 45.077 1.00 35.25 H new ATOM 0 HB2 LEU A 302 56.045 66.239 42.304 1.00 38.83 H new ATOM 0 HB3 LEU A 302 54.636 65.939 42.901 1.00 38.83 H new ATOM 0 HG LEU A 302 54.878 68.194 42.404 1.00 33.75 H new ATOM 0 HD11 LEU A 302 54.073 69.084 44.430 1.00 41.81 H new ATOM 0 HD12 LEU A 302 53.383 67.692 44.120 1.00 41.81 H new ATOM 0 HD13 LEU A 302 54.554 67.777 45.183 1.00 41.81 H new ATOM 0 HD21 LEU A 302 56.311 69.574 43.620 1.00 39.21 H new ATOM 0 HD22 LEU A 302 56.909 68.300 44.347 1.00 39.21 H new ATOM 0 HD23 LEU A 302 57.130 68.501 42.791 1.00 39.21 H new ATOM 69 N GLY A 303 56.937 63.494 43.434 1.00 34.52 N ANISOU 69 N GLY A 303 2645 4886 5586 -292 -713 344 N ATOM 70 CA GLY A 303 56.828 62.101 43.040 1.00 46.60 C ANISOU 70 CA GLY A 303 4135 6385 7186 -114 -684 393 C ATOM 71 C GLY A 303 56.712 61.133 44.197 1.00 45.52 C ANISOU 71 C GLY A 303 4034 6254 7007 8 -876 473 C ATOM 72 O GLY A 303 56.333 59.978 44.013 1.00 49.70 O ANISOU 72 O GLY A 303 4616 6721 7548 151 -845 520 O ATOM 0 H GLY A 303 57.679 63.866 43.211 1.00 34.52 H new ATOM 0 HA2 GLY A 303 56.052 61.998 42.467 1.00 46.60 H new ATOM 0 HA3 GLY A 303 57.605 61.864 42.511 1.00 46.60 H new ATOM 76 N GLU A 304 57.038 61.606 45.392 1.00 41.53 N ANISOU 76 N GLU A 304 3540 5817 6421 -58 -1053 477 N ATOM 77 CA GLU A 304 56.978 60.776 46.584 1.00 47.83 C ANISOU 77 CA GLU A 304 4419 6628 7126 38 -1225 548 C ATOM 78 C GLU A 304 55.581 60.797 47.211 1.00 51.74 C ANISOU 78 C GLU A 304 5159 7065 7437 14 -1265 607 C ATOM 79 O GLU A 304 55.185 59.856 47.902 1.00 44.56 O ANISOU 79 O GLU A 304 4367 6122 6441 110 -1337 679 O ATOM 80 CB GLU A 304 58.031 61.243 47.593 1.00 56.35 C ANISOU 80 CB GLU A 304 5398 7829 8184 -26 -1389 514 C ATOM 81 CG GLU A 304 59.453 61.211 47.035 1.00 63.45 C ANISOU 81 CG GLU A 304 6041 8808 9257 -4 -1355 445 C ATOM 82 CD GLU A 304 60.519 61.167 48.114 1.00 70.47 C ANISOU 82 CD GLU A 304 6816 9827 10132 4 -1544 435 C ATOM 83 OE1 GLU A 304 60.265 60.576 49.186 1.00 72.99 O ANISOU 83 OE1 GLU A 304 7244 10152 10335 74 -1695 514 O ATOM 84 OE2 GLU A 304 61.618 61.720 47.887 1.00 73.51 O ANISOU 84 OE2 GLU A 304 7001 10317 10612 -66 -1536 346 O ATOM 0 H GLU A 304 57.299 62.413 45.534 1.00 41.53 H new ATOM 0 HA GLU A 304 57.167 59.860 46.328 1.00 47.83 H new ATOM 0 HB2 GLU A 304 57.821 62.147 47.876 1.00 56.35 H new ATOM 0 HB3 GLU A 304 57.986 60.681 48.382 1.00 56.35 H new ATOM 0 HG2 GLU A 304 59.551 60.436 46.460 1.00 63.45 H new ATOM 0 HG3 GLU A 304 59.594 61.995 46.481 1.00 63.45 H new ATOM 91 N GLU A 305 54.826 61.857 46.942 1.00 38.91 N ANISOU 91 N GLU A 305 3651 5411 5722 -113 -1170 551 N ATOM 92 CA GLU A 305 53.535 62.063 47.592 1.00 24.32 C ANISOU 92 CA GLU A 305 2055 3515 3671 -151 -1171 559 C ATOM 93 C GLU A 305 52.437 61.255 46.931 1.00 23.59 C ANISOU 93 C GLU A 305 2097 3324 3543 -49 -1031 590 C ATOM 94 O GLU A 305 52.394 61.122 45.708 1.00 25.11 O ANISOU 94 O GLU A 305 2239 3472 3828 -8 -871 565 O ATOM 95 CB GLU A 305 53.168 63.548 47.575 1.00 22.46 C ANISOU 95 CB GLU A 305 1905 3270 3357 -313 -1102 465 C ATOM 96 CG GLU A 305 54.185 64.395 48.309 1.00 24.03 C ANISOU 96 CG GLU A 305 1990 3566 3575 -443 -1237 415 C ATOM 97 CD GLU A 305 54.111 65.862 47.951 1.00 28.28 C ANISOU 97 CD GLU A 305 2568 4071 4109 -600 -1129 314 C ATOM 98 OE1 GLU A 305 53.165 66.262 47.243 1.00 29.38 O ANISOU 98 OE1 GLU A 305 2846 4109 4210 -598 -969 295 O ATOM 99 OE2 GLU A 305 55.013 66.609 48.386 1.00 34.35 O ANISOU 99 OE2 GLU A 305 3226 4911 4913 -725 -1210 255 O ATOM 0 H GLU A 305 55.044 62.473 46.383 1.00 38.91 H new ATOM 0 HA GLU A 305 53.618 61.758 48.509 1.00 24.32 H new ATOM 0 HB2 GLU A 305 53.098 63.852 46.657 1.00 22.46 H new ATOM 0 HB3 GLU A 305 52.295 63.669 47.981 1.00 22.46 H new ATOM 0 HG2 GLU A 305 54.051 64.294 49.264 1.00 24.03 H new ATOM 0 HG3 GLU A 305 55.075 64.065 48.111 1.00 24.03 H new ATOM 106 N ASP A 306 51.534 60.730 47.750 1.00 24.76 N ANISOU 106 N ASP A 306 2419 3446 3544 -23 -1087 636 N ATOM 107 CA ASP A 306 50.436 59.923 47.231 1.00 25.61 C ANISOU 107 CA ASP A 306 2656 3467 3607 58 -960 657 C ATOM 108 C ASP A 306 49.537 60.763 46.338 1.00 25.43 C ANISOU 108 C ASP A 306 2717 3403 3542 1 -784 576 C ATOM 109 O ASP A 306 49.263 61.927 46.628 1.00 21.42 O ANISOU 109 O ASP A 306 2270 2908 2961 -106 -784 517 O ATOM 110 CB ASP A 306 49.616 59.319 48.369 1.00 26.75 C ANISOU 110 CB ASP A 306 2981 3598 3586 63 -1047 712 C ATOM 111 CG ASP A 306 50.390 58.288 49.170 1.00 36.95 C ANISOU 111 CG ASP A 306 4219 4910 4912 145 -1222 825 C ATOM 112 OD1 ASP A 306 51.422 57.781 48.677 1.00 37.65 O ANISOU 112 OD1 ASP A 306 4133 4998 5173 237 -1231 845 O ATOM 113 OD2 ASP A 306 49.954 57.977 50.297 1.00 42.46 O ANISOU 113 OD2 ASP A 306 5069 5614 5450 118 -1291 854 O ATOM 0 H ASP A 306 51.538 60.828 48.604 1.00 24.76 H new ATOM 0 HA ASP A 306 50.818 59.200 46.708 1.00 25.61 H new ATOM 0 HB2 ASP A 306 49.322 60.028 48.962 1.00 26.75 H new ATOM 0 HB3 ASP A 306 48.818 58.906 48.003 1.00 26.75 H new ATOM 118 N ILE A 307 49.089 60.166 45.241 1.00 21.54 N ANISOU 118 N ILE A 307 2227 2858 3099 75 -638 572 N ATOM 119 CA ILE A 307 48.107 60.797 44.377 1.00 18.73 C ANISOU 119 CA ILE A 307 1962 2468 2688 42 -487 514 C ATOM 120 C ILE A 307 46.735 60.633 45.035 1.00 16.57 C ANISOU 120 C ILE A 307 1874 2170 2254 35 -484 504 C ATOM 121 O ILE A 307 46.356 59.511 45.381 1.00 16.84 O ANISOU 121 O ILE A 307 1963 2181 2254 95 -499 546 O ATOM 122 CB ILE A 307 48.142 60.188 42.975 1.00 19.25 C ANISOU 122 CB ILE A 307 1959 2509 2846 110 -339 506 C ATOM 123 CG1 ILE A 307 49.495 60.477 42.323 1.00 24.90 C ANISOU 123 CG1 ILE A 307 2487 3259 3717 95 -321 497 C ATOM 124 CG2 ILE A 307 47.003 60.731 42.126 1.00 14.17 C ANISOU 124 CG2 ILE A 307 1424 1843 2119 85 -205 461 C ATOM 125 CD1 ILE A 307 49.736 59.713 41.052 1.00 27.43 C ANISOU 125 CD1 ILE A 307 2720 3565 4137 161 -180 482 C ATOM 0 H ILE A 307 49.345 59.388 44.979 1.00 21.54 H new ATOM 0 HA ILE A 307 48.305 61.740 44.269 1.00 18.73 H new ATOM 0 HB ILE A 307 48.027 59.227 43.044 1.00 19.25 H new ATOM 0 HG12 ILE A 307 49.557 61.427 42.135 1.00 24.90 H new ATOM 0 HG13 ILE A 307 50.200 60.266 42.955 1.00 24.90 H new ATOM 0 HG21 ILE A 307 47.041 60.334 41.242 1.00 14.17 H new ATOM 0 HG22 ILE A 307 46.155 60.511 42.543 1.00 14.17 H new ATOM 0 HG23 ILE A 307 47.086 61.695 42.052 1.00 14.17 H new ATOM 0 HD11 ILE A 307 50.608 59.944 40.696 1.00 27.43 H new ATOM 0 HD12 ILE A 307 49.704 58.761 41.235 1.00 27.43 H new ATOM 0 HD13 ILE A 307 49.051 59.940 40.403 1.00 27.43 H new ATOM 137 N PRO A 308 45.994 61.741 45.223 1.00 13.41 N ANISOU 137 N PRO A 308 1569 1764 1762 -42 -457 445 N ATOM 138 CA PRO A 308 44.652 61.705 45.825 1.00 15.07 C ANISOU 138 CA PRO A 308 1938 1960 1829 -56 -436 411 C ATOM 139 C PRO A 308 43.696 60.737 45.141 1.00 14.05 C ANISOU 139 C PRO A 308 1858 1805 1677 16 -328 412 C ATOM 140 O PRO A 308 43.608 60.739 43.916 1.00 11.53 O ANISOU 140 O PRO A 308 1488 1474 1418 54 -224 400 O ATOM 141 CB PRO A 308 44.167 63.144 45.667 1.00 20.84 C ANISOU 141 CB PRO A 308 2716 2673 2530 -123 -389 338 C ATOM 142 CG PRO A 308 45.419 63.947 45.711 1.00 23.31 C ANISOU 142 CG PRO A 308 2927 3000 2929 -186 -451 341 C ATOM 143 CD PRO A 308 46.420 63.132 44.962 1.00 19.28 C ANISOU 143 CD PRO A 308 2275 2509 2542 -124 -444 400 C ATOM 0 HA PRO A 308 44.684 61.389 46.742 1.00 15.07 H new ATOM 0 HB2 PRO A 308 43.692 63.270 44.830 1.00 20.84 H new ATOM 0 HB3 PRO A 308 43.558 63.395 46.379 1.00 20.84 H new ATOM 0 HG2 PRO A 308 45.294 64.817 45.300 1.00 23.31 H new ATOM 0 HG3 PRO A 308 45.705 64.104 46.625 1.00 23.31 H new ATOM 0 HD2 PRO A 308 46.410 63.337 44.014 1.00 19.28 H new ATOM 0 HD3 PRO A 308 47.322 63.295 45.278 1.00 19.28 H new ATOM 151 N ARG A 309 42.997 59.926 45.936 1.00 13.12 N ANISOU 151 N ARG A 309 1841 1682 1461 21 -348 423 N ATOM 152 CA ARG A 309 42.114 58.899 45.398 1.00 12.67 C ANISOU 152 CA ARG A 309 1832 1600 1382 72 -247 417 C ATOM 153 C ARG A 309 40.631 59.242 45.565 1.00 11.77 C ANISOU 153 C ARG A 309 1827 1498 1147 34 -173 335 C ATOM 154 O ARG A 309 39.769 58.471 45.176 1.00 12.44 O ANISOU 154 O ARG A 309 1952 1575 1200 56 -86 311 O ATOM 155 CB ARG A 309 42.446 57.559 46.055 1.00 14.03 C ANISOU 155 CB ARG A 309 2035 1744 1554 108 -306 495 C ATOM 156 CG ARG A 309 43.683 56.911 45.427 1.00 16.31 C ANISOU 156 CG ARG A 309 2187 2006 2003 189 -326 557 C ATOM 157 CD ARG A 309 44.105 55.689 46.177 1.00 22.03 C ANISOU 157 CD ARG A 309 2942 2685 2745 240 -410 650 C ATOM 158 NE ARG A 309 45.340 55.123 45.640 1.00 21.82 N ANISOU 158 NE ARG A 309 2765 2631 2896 332 -435 701 N ATOM 159 CZ ARG A 309 45.399 54.147 44.740 1.00 20.27 C ANISOU 159 CZ ARG A 309 2525 2371 2805 411 -330 696 C ATOM 160 NH1 ARG A 309 44.288 53.602 44.247 1.00 17.91 N ANISOU 160 NH1 ARG A 309 2324 2034 2446 401 -196 646 N ATOM 161 NH2 ARG A 309 46.585 53.699 44.349 1.00 20.05 N ANISOU 161 NH2 ARG A 309 2347 2321 2952 497 -356 730 N ATOM 0 H ARG A 309 43.023 59.957 46.795 1.00 13.12 H new ATOM 0 HA ARG A 309 42.267 58.844 44.442 1.00 12.67 H new ATOM 0 HB2 ARG A 309 42.597 57.692 47.004 1.00 14.03 H new ATOM 0 HB3 ARG A 309 41.688 56.960 45.970 1.00 14.03 H new ATOM 0 HG2 ARG A 309 43.493 56.676 44.505 1.00 16.31 H new ATOM 0 HG3 ARG A 309 44.412 57.551 45.413 1.00 16.31 H new ATOM 0 HD2 ARG A 309 44.231 55.911 47.113 1.00 22.03 H new ATOM 0 HD3 ARG A 309 43.400 55.024 46.136 1.00 22.03 H new ATOM 0 HE ARG A 309 46.084 55.445 45.927 1.00 21.82 H new ATOM 0 HH11 ARG A 309 43.518 53.881 44.511 1.00 17.91 H new ATOM 0 HH12 ARG A 309 44.340 52.971 43.665 1.00 17.91 H new ATOM 0 HH21 ARG A 309 47.303 54.040 44.677 1.00 20.05 H new ATOM 0 HH22 ARG A 309 46.636 53.068 43.767 1.00 20.05 H new ATOM 175 N AGLU A 310 40.334 60.406 46.130 0.45 13.12 N ANISOU 175 N AGLU A 310 2037 1686 1261 -26 -202 281 N ATOM 176 N BGLU A 310 40.364 60.423 46.116 0.55 13.08 N ANISOU 176 N BGLU A 310 2030 1681 1259 -26 -203 282 N ATOM 177 CA AGLU A 310 38.942 60.822 46.277 0.45 13.31 C ANISOU 177 CA AGLU A 310 2142 1722 1195 -51 -129 190 C ATOM 178 CA BGLU A 310 39.002 60.922 46.270 0.55 13.67 C ANISOU 178 CA BGLU A 310 2183 1767 1244 -52 -133 189 C ATOM 179 C AGLU A 310 38.463 61.493 44.996 0.45 12.19 C ANISOU 179 C AGLU A 310 1948 1576 1108 -4 -44 150 C ATOM 180 C BGLU A 310 38.477 61.446 44.931 0.55 11.87 C ANISOU 180 C BGLU A 310 1904 1535 1071 0 -41 153 C ATOM 181 O AGLU A 310 39.268 62.052 44.252 0.45 12.00 O ANISOU 181 O AGLU A 310 1852 1536 1173 15 -52 186 O ATOM 182 O BGLU A 310 39.265 61.844 44.075 0.55 13.67 O ANISOU 182 O BGLU A 310 2054 1749 1390 26 -41 192 O ATOM 183 CB AGLU A 310 38.765 61.778 47.458 0.45 18.63 C ANISOU 183 CB AGLU A 310 2884 2406 1788 -133 -184 132 C ATOM 184 CB BGLU A 310 38.957 62.034 47.326 0.55 16.58 C ANISOU 184 CB BGLU A 310 2605 2142 1552 -130 -191 134 C ATOM 185 CG AGLU A 310 39.848 62.829 47.587 0.45 22.27 C ANISOU 185 CG AGLU A 310 3292 2856 2313 -167 -263 145 C ATOM 186 CG BGLU A 310 39.468 61.618 48.707 0.55 25.57 C ANISOU 186 CG BGLU A 310 3806 3304 2604 -200 -298 170 C ATOM 187 CD AGLU A 310 41.029 62.332 48.407 0.45 29.35 C ANISOU 187 CD AGLU A 310 4169 3778 3205 -201 -391 223 C ATOM 188 CD BGLU A 310 40.981 61.694 48.845 0.55 31.20 C ANISOU 188 CD BGLU A 310 4437 4024 3393 -203 -418 252 C ATOM 189 OE1AGLU A 310 42.157 62.314 47.874 0.45 28.24 O ANISOU 189 OE1AGLU A 310 3920 3634 3176 -172 -435 283 O ATOM 190 OE1BGLU A 310 41.502 61.250 49.895 0.55 31.39 O ANISOU 190 OE1BGLU A 310 4499 4078 3350 -246 -529 303 O ATOM 191 OE2AGLU A 310 40.826 61.949 49.580 0.45 41.36 O ANISOU 191 OE2AGLU A 310 5778 5328 4608 -258 -450 224 O ATOM 192 OE2BGLU A 310 41.645 62.199 47.914 0.55 29.12 O ANISOU 192 OE2BGLU A 310 4070 3743 3252 -169 -403 265 O ATOM 0 H AGLU A 310 40.914 60.964 46.432 0.45 13.08 H new ATOM 0 H BGLU A 310 40.969 60.958 46.411 0.55 13.08 H new ATOM 0 HA AGLU A 310 38.411 60.029 46.449 0.45 13.67 H new ATOM 0 HA BGLU A 310 38.436 60.191 46.564 0.55 13.67 H new ATOM 0 HB2AGLU A 310 37.907 62.223 47.373 0.45 16.58 H new ATOM 0 HB2BGLU A 310 39.484 62.785 47.011 0.55 16.58 H new ATOM 0 HB3AGLU A 310 38.735 61.259 48.277 0.45 16.58 H new ATOM 0 HB3BGLU A 310 38.043 62.346 47.412 0.55 16.58 H new ATOM 0 HG2AGLU A 310 40.154 63.087 46.703 0.45 25.57 H new ATOM 0 HG2BGLU A 310 39.061 62.187 49.379 0.55 25.57 H new ATOM 0 HG3AGLU A 310 39.478 63.624 48.002 0.45 25.57 H new ATOM 0 HG3BGLU A 310 39.179 60.710 48.890 0.55 25.57 H new ATOM 205 N PRO A 311 37.141 61.464 44.746 1.00 11.24 N ANISOU 205 N PRO A 311 1864 1475 931 11 36 77 N ATOM 206 CA PRO A 311 36.615 62.059 43.513 1.00 10.33 C ANISOU 206 CA PRO A 311 1703 1367 856 65 98 52 C ATOM 207 C PRO A 311 36.839 63.559 43.468 1.00 10.27 C ANISOU 207 C PRO A 311 1692 1320 891 61 69 42 C ATOM 208 O PRO A 311 36.801 64.231 44.512 1.00 13.89 O ANISOU 208 O PRO A 311 2199 1756 1322 11 29 -4 O ATOM 209 CB PRO A 311 35.113 61.744 43.560 1.00 12.11 C ANISOU 209 CB PRO A 311 1959 1635 1006 74 167 -36 C ATOM 210 CG PRO A 311 34.951 60.717 44.623 1.00 17.25 C ANISOU 210 CG PRO A 311 2670 2296 1589 17 164 -46 C ATOM 211 CD PRO A 311 36.062 60.930 45.596 1.00 15.54 C ANISOU 211 CD PRO A 311 2489 2046 1369 -28 70 12 C ATOM 0 HA PRO A 311 37.057 61.705 42.725 1.00 10.33 H new ATOM 0 HB2 PRO A 311 34.596 62.540 43.762 1.00 12.11 H new ATOM 0 HB3 PRO A 311 34.800 61.412 42.704 1.00 12.11 H new ATOM 0 HG2 PRO A 311 34.089 60.806 45.059 1.00 17.25 H new ATOM 0 HG3 PRO A 311 34.988 59.823 44.247 1.00 17.25 H new ATOM 0 HD2 PRO A 311 35.813 61.554 46.296 1.00 15.54 H new ATOM 0 HD3 PRO A 311 36.322 60.103 46.032 1.00 15.54 H new ATOM 219 N ARG A 312 37.074 64.066 42.268 1.00 9.80 N ANISOU 219 N ARG A 312 1585 1246 892 103 95 81 N ATOM 220 CA ARG A 312 37.282 65.498 42.045 1.00 12.17 C ANISOU 220 CA ARG A 312 1895 1486 1242 101 79 86 C ATOM 221 C ARG A 312 36.365 65.998 40.946 1.00 9.88 C ANISOU 221 C ARG A 312 1603 1199 953 173 125 83 C ATOM 222 O ARG A 312 36.003 65.248 40.045 1.00 10.94 O ANISOU 222 O ARG A 312 1703 1394 1060 212 166 101 O ATOM 223 CB ARG A 312 38.728 65.806 41.644 1.00 14.62 C ANISOU 223 CB ARG A 312 2158 1765 1630 63 54 162 C ATOM 224 CG ARG A 312 39.801 65.246 42.559 1.00 13.92 C ANISOU 224 CG ARG A 312 2042 1692 1557 6 -12 181 C ATOM 225 CD ARG A 312 40.509 64.068 41.928 1.00 11.12 C ANISOU 225 CD ARG A 312 1610 1375 1239 32 7 239 C ATOM 226 NE ARG A 312 41.054 64.388 40.609 1.00 11.43 N ANISOU 226 NE ARG A 312 1591 1410 1343 43 63 283 N ATOM 227 CZ ARG A 312 41.379 63.472 39.702 1.00 10.54 C ANISOU 227 CZ ARG A 312 1417 1333 1257 75 120 310 C ATOM 228 NH1 ARG A 312 41.235 62.188 39.973 1.00 11.03 N ANISOU 228 NH1 ARG A 312 1467 1419 1304 107 125 303 N ATOM 229 NH2 ARG A 312 41.850 63.839 38.521 1.00 11.55 N ANISOU 229 NH2 ARG A 312 1502 1464 1423 67 182 342 N ATOM 0 H ARG A 312 37.119 63.591 41.553 1.00 9.80 H new ATOM 0 HA ARG A 312 37.084 65.947 42.882 1.00 12.17 H new ATOM 0 HB2 ARG A 312 38.878 65.462 40.749 1.00 14.62 H new ATOM 0 HB3 ARG A 312 38.835 66.769 41.599 1.00 14.62 H new ATOM 0 HG2 ARG A 312 40.446 65.940 42.765 1.00 13.92 H new ATOM 0 HG3 ARG A 312 39.401 64.972 43.399 1.00 13.92 H new ATOM 0 HD2 ARG A 312 41.228 63.776 42.510 1.00 11.12 H new ATOM 0 HD3 ARG A 312 39.889 63.326 41.848 1.00 11.12 H new ATOM 0 HE ARG A 312 41.171 65.216 40.409 1.00 11.43 H new ATOM 0 HH11 ARG A 312 40.930 61.942 40.738 1.00 11.03 H new ATOM 0 HH12 ARG A 312 41.446 61.598 39.384 1.00 11.03 H new ATOM 0 HH21 ARG A 312 41.947 64.674 38.337 1.00 11.55 H new ATOM 0 HH22 ARG A 312 42.059 63.243 37.937 1.00 11.55 H new ATOM 243 N ARG A 313 36.030 67.280 41.019 1.00 12.04 N ANISOU 243 N ARG A 313 1913 1402 1259 190 115 63 N ATOM 244 CA ARG A 313 35.320 67.946 39.942 1.00 11.75 C ANISOU 244 CA ARG A 313 1880 1350 1236 269 135 90 C ATOM 245 C ARG A 313 36.316 68.701 39.079 1.00 11.52 C ANISOU 245 C ARG A 313 1858 1255 1262 248 134 191 C ATOM 246 O ARG A 313 37.104 69.504 39.587 1.00 13.26 O ANISOU 246 O ARG A 313 2108 1390 1540 187 114 198 O ATOM 247 CB ARG A 313 34.267 68.911 40.484 1.00 14.21 C ANISOU 247 CB ARG A 313 2228 1605 1565 319 128 10 C ATOM 248 CG ARG A 313 33.425 69.552 39.377 1.00 16.60 C ANISOU 248 CG ARG A 313 2526 1895 1885 426 129 49 C ATOM 249 CD ARG A 313 32.425 70.553 39.921 1.00 20.80 C ANISOU 249 CD ARG A 313 3081 2354 2466 496 122 -34 C ATOM 250 NE ARG A 313 31.481 69.928 40.838 1.00 22.25 N ANISOU 250 NE ARG A 313 3232 2615 2607 495 147 -168 N ATOM 251 CZ ARG A 313 31.542 70.000 42.164 1.00 27.10 C ANISOU 251 CZ ARG A 313 3878 3204 3215 424 163 -269 C ATOM 252 NH1 ARG A 313 32.503 70.686 42.774 1.00 28.00 N ANISOU 252 NH1 ARG A 313 4051 3219 3368 349 146 -259 N ATOM 253 NH2 ARG A 313 30.616 69.388 42.889 1.00 27.93 N ANISOU 253 NH2 ARG A 313 3956 3389 3266 415 199 -387 N ATOM 0 H ARG A 313 36.208 67.785 41.692 1.00 12.04 H new ATOM 0 HA ARG A 313 34.863 67.274 39.412 1.00 11.75 H new ATOM 0 HB2 ARG A 313 33.683 68.436 41.095 1.00 14.21 H new ATOM 0 HB3 ARG A 313 34.706 69.608 40.996 1.00 14.21 H new ATOM 0 HG2 ARG A 313 34.011 69.995 38.743 1.00 16.60 H new ATOM 0 HG3 ARG A 313 32.953 68.859 38.890 1.00 16.60 H new ATOM 0 HD2 ARG A 313 32.897 71.266 40.379 1.00 20.80 H new ATOM 0 HD3 ARG A 313 31.941 70.960 39.185 1.00 20.80 H new ATOM 0 HE ARG A 313 30.834 69.477 40.495 1.00 22.25 H new ATOM 0 HH11 ARG A 313 33.101 71.094 42.310 1.00 28.00 H new ATOM 0 HH12 ARG A 313 32.527 70.722 43.633 1.00 28.00 H new ATOM 0 HH21 ARG A 313 29.985 68.951 42.501 1.00 27.93 H new ATOM 0 HH22 ARG A 313 30.646 69.428 43.748 1.00 27.93 H new ATOM 267 N ILE A 314 36.261 68.452 37.777 1.00 12.51 N ANISOU 267 N ILE A 314 1963 1428 1363 284 161 261 N ATOM 268 CA ILE A 314 37.102 69.152 36.808 1.00 14.32 C ANISOU 268 CA ILE A 314 2211 1604 1624 255 177 363 C ATOM 269 C ILE A 314 36.193 69.853 35.818 1.00 12.34 C ANISOU 269 C ILE A 314 2004 1339 1346 339 171 416 C ATOM 270 O ILE A 314 35.332 69.212 35.220 1.00 14.08 O ANISOU 270 O ILE A 314 2193 1660 1496 400 174 406 O ATOM 271 CB ILE A 314 38.060 68.201 36.068 1.00 14.09 C ANISOU 271 CB ILE A 314 2122 1653 1580 202 222 407 C ATOM 272 CG1 ILE A 314 39.038 67.532 37.033 1.00 14.43 C ANISOU 272 CG1 ILE A 314 2111 1703 1668 137 210 370 C ATOM 273 CG2 ILE A 314 38.838 68.949 34.993 1.00 14.27 C ANISOU 273 CG2 ILE A 314 2169 1633 1620 158 258 505 C ATOM 274 CD1 ILE A 314 38.530 66.231 37.592 1.00 16.45 C ANISOU 274 CD1 ILE A 314 2335 2036 1881 164 207 308 C ATOM 0 H ILE A 314 35.733 67.870 37.427 1.00 12.51 H new ATOM 0 HA ILE A 314 37.658 69.790 37.282 1.00 14.32 H new ATOM 0 HB ILE A 314 37.518 67.513 35.651 1.00 14.09 H new ATOM 0 HG12 ILE A 314 39.877 67.373 36.574 1.00 14.43 H new ATOM 0 HG13 ILE A 314 39.226 68.140 37.765 1.00 14.43 H new ATOM 0 HG21 ILE A 314 39.435 68.334 34.539 1.00 14.27 H new ATOM 0 HG22 ILE A 314 38.219 69.331 34.352 1.00 14.27 H new ATOM 0 HG23 ILE A 314 39.356 69.659 35.403 1.00 14.27 H new ATOM 0 HD11 ILE A 314 39.192 65.857 38.194 1.00 16.45 H new ATOM 0 HD12 ILE A 314 37.704 66.387 38.076 1.00 16.45 H new ATOM 0 HD13 ILE A 314 38.366 65.609 36.866 1.00 16.45 H new ATOM 286 N VAL A 315 36.391 71.154 35.624 1.00 13.00 N ANISOU 286 N VAL A 315 2160 1296 1484 341 159 477 N ATOM 287 CA VAL A 315 35.617 71.889 34.626 1.00 16.41 C ANISOU 287 CA VAL A 315 2645 1698 1892 430 139 559 C ATOM 288 C VAL A 315 36.533 72.334 33.502 1.00 17.90 C ANISOU 288 C VAL A 315 2885 1852 2065 365 172 691 C ATOM 289 O VAL A 315 37.447 73.121 33.714 1.00 17.43 O ANISOU 289 O VAL A 315 2875 1674 2074 285 194 726 O ATOM 290 CB VAL A 315 34.893 73.091 35.244 1.00 18.36 C ANISOU 290 CB VAL A 315 2953 1804 2220 507 100 530 C ATOM 291 CG1 VAL A 315 34.024 73.780 34.196 1.00 21.19 C ANISOU 291 CG1 VAL A 315 3359 2133 2559 626 59 628 C ATOM 292 CG2 VAL A 315 34.047 72.644 36.426 1.00 19.79 C ANISOU 292 CG2 VAL A 315 3081 2028 2411 547 87 381 C ATOM 0 H VAL A 315 36.964 71.627 36.056 1.00 13.00 H new ATOM 0 HA VAL A 315 34.936 71.297 34.271 1.00 16.41 H new ATOM 0 HB VAL A 315 35.555 73.725 35.561 1.00 18.36 H new ATOM 0 HG11 VAL A 315 33.571 74.538 34.598 1.00 21.19 H new ATOM 0 HG12 VAL A 315 34.582 74.088 33.464 1.00 21.19 H new ATOM 0 HG13 VAL A 315 33.366 73.153 33.858 1.00 21.19 H new ATOM 0 HG21 VAL A 315 33.594 73.412 36.809 1.00 19.79 H new ATOM 0 HG22 VAL A 315 33.389 71.997 36.127 1.00 19.79 H new ATOM 0 HG23 VAL A 315 34.617 72.238 37.097 1.00 19.79 H new ATOM 302 N ILE A 316 36.285 71.809 32.307 1.00 16.73 N ANISOU 302 N ILE A 316 2725 1815 1815 386 184 756 N ATOM 303 CA ILE A 316 37.076 72.145 31.130 1.00 18.82 C ANISOU 303 CA ILE A 316 3026 2080 2043 301 219 857 C ATOM 304 C ILE A 316 36.255 73.026 30.205 1.00 19.48 C ANISOU 304 C ILE A 316 3172 2137 2092 363 153 938 C ATOM 305 O ILE A 316 35.145 72.669 29.814 1.00 17.89 O ANISOU 305 O ILE A 316 2940 2030 1827 456 102 923 O ATOM 306 CB ILE A 316 37.543 70.879 30.398 1.00 16.45 C ANISOU 306 CB ILE A 316 2647 1940 1662 235 278 832 C ATOM 307 CG1 ILE A 316 38.473 70.065 31.297 1.00 20.06 C ANISOU 307 CG1 ILE A 316 3034 2410 2177 174 336 766 C ATOM 308 CG2 ILE A 316 38.236 71.238 29.084 1.00 17.18 C ANISOU 308 CG2 ILE A 316 2777 2049 1702 137 313 912 C ATOM 309 CD1 ILE A 316 38.776 68.687 30.761 1.00 21.69 C ANISOU 309 CD1 ILE A 316 3150 2760 2332 136 392 710 C ATOM 0 H ILE A 316 35.652 71.247 32.156 1.00 16.73 H new ATOM 0 HA ILE A 316 37.868 72.628 31.413 1.00 18.82 H new ATOM 0 HB ILE A 316 36.766 70.338 30.187 1.00 16.45 H new ATOM 0 HG12 ILE A 316 39.305 70.550 31.412 1.00 20.06 H new ATOM 0 HG13 ILE A 316 38.070 69.981 32.175 1.00 20.06 H new ATOM 0 HG21 ILE A 316 38.523 70.426 28.637 1.00 17.18 H new ATOM 0 HG22 ILE A 316 37.617 71.720 28.513 1.00 17.18 H new ATOM 0 HG23 ILE A 316 39.008 71.796 29.267 1.00 17.18 H new ATOM 0 HD11 ILE A 316 39.368 68.224 31.374 1.00 21.69 H new ATOM 0 HD12 ILE A 316 37.950 68.186 30.669 1.00 21.69 H new ATOM 0 HD13 ILE A 316 39.205 68.764 29.894 1.00 21.69 H new ATOM 321 N HIS A 317 36.807 74.181 29.846 1.00 19.54 N ANISOU 321 N HIS A 317 3264 2018 2144 307 152 1026 N ATOM 322 CA HIS A 317 36.171 75.056 28.877 1.00 21.88 C ANISOU 322 CA HIS A 317 3629 2277 2406 353 85 1129 C ATOM 323 C HIS A 317 36.906 74.918 27.558 1.00 22.27 C ANISOU 323 C HIS A 317 3707 2402 2352 232 123 1214 C ATOM 324 O HIS A 317 38.036 75.385 27.433 1.00 25.60 O ANISOU 324 O HIS A 317 4166 2756 2805 111 185 1257 O ATOM 325 CB HIS A 317 36.186 76.508 29.358 1.00 36.57 C ANISOU 325 CB HIS A 317 5574 3929 4391 375 56 1175 C ATOM 326 CG HIS A 317 35.732 76.672 30.772 1.00 27.12 C ANISOU 326 CG HIS A 317 4357 2643 3305 455 46 1067 C ATOM 327 ND1 HIS A 317 34.399 76.728 31.128 1.00 30.76 N ANISOU 327 ND1 HIS A 317 4787 3111 3791 609 -21 1016 N ATOM 328 CD2 HIS A 317 36.432 76.771 31.924 1.00 28.90 C ANISOU 328 CD2 HIS A 317 4585 2778 3616 395 96 988 C ATOM 329 CE1 HIS A 317 34.303 76.857 32.436 1.00 28.38 C ANISOU 329 CE1 HIS A 317 4476 2723 3583 637 -3 906 C ATOM 330 NE2 HIS A 317 35.524 76.893 32.945 1.00 30.95 N ANISOU 330 NE2 HIS A 317 4830 2986 3942 506 63 891 N ATOM 0 H HIS A 317 37.554 74.475 30.156 1.00 19.54 H new ATOM 0 HA HIS A 317 35.242 74.801 28.766 1.00 21.88 H new ATOM 0 HB2 HIS A 317 37.086 76.861 29.272 1.00 36.57 H new ATOM 0 HB3 HIS A 317 35.617 77.039 28.779 1.00 36.57 H new ATOM 0 HD1 HIS A 317 33.736 76.685 30.582 1.00 30.76 H new ATOM 0 HD2 HIS A 317 37.358 76.759 32.009 1.00 28.90 H new ATOM 0 HE1 HIS A 317 33.511 76.913 32.920 1.00 28.38 H new ATOM 338 N ARG A 318 36.270 74.274 26.579 1.00 20.69 N ANISOU 338 N ARG A 318 3485 2349 2025 256 93 1228 N ATOM 339 CA ARG A 318 36.945 73.939 25.325 1.00 21.25 C ANISOU 339 CA ARG A 318 3581 2518 1976 127 142 1279 C ATOM 340 C ARG A 318 36.238 74.465 24.086 1.00 23.65 C ANISOU 340 C ARG A 318 3964 2853 2169 144 58 1396 C ATOM 341 O ARG A 318 36.604 74.104 22.974 1.00 23.91 O ANISOU 341 O ARG A 318 4027 2987 2071 37 91 1429 O ATOM 342 CB ARG A 318 37.109 72.417 25.198 1.00 19.77 C ANISOU 342 CB ARG A 318 3295 2498 1719 89 209 1161 C ATOM 343 CG ARG A 318 35.866 71.585 25.480 1.00 22.28 C ANISOU 343 CG ARG A 318 3537 2919 2010 210 156 1076 C ATOM 344 CD ARG A 318 34.864 71.609 24.337 1.00 22.60 C ANISOU 344 CD ARG A 318 3609 3053 1924 248 78 1125 C ATOM 345 NE ARG A 318 33.763 70.671 24.565 1.00 21.53 N ANISOU 345 NE ARG A 318 3376 3044 1760 338 44 1023 N ATOM 346 CZ ARG A 318 33.716 69.419 24.108 1.00 20.09 C ANISOU 346 CZ ARG A 318 3129 3003 1501 283 97 926 C ATOM 347 NH1 ARG A 318 34.704 68.923 23.375 1.00 21.15 N ANISOU 347 NH1 ARG A 318 3288 3168 1581 149 188 908 N ATOM 348 NH2 ARG A 318 32.663 68.653 24.380 1.00 19.53 N ANISOU 348 NH2 ARG A 318 2968 3036 1416 358 65 832 N ATOM 0 H ARG A 318 35.449 74.023 26.621 1.00 20.69 H new ATOM 0 HA ARG A 318 37.809 74.378 25.368 1.00 21.25 H new ATOM 0 HB2 ARG A 318 37.413 72.216 24.299 1.00 19.77 H new ATOM 0 HB3 ARG A 318 37.811 72.134 25.805 1.00 19.77 H new ATOM 0 HG2 ARG A 318 36.129 70.668 25.654 1.00 22.28 H new ATOM 0 HG3 ARG A 318 35.438 71.915 26.286 1.00 22.28 H new ATOM 0 HD2 ARG A 318 34.510 72.506 24.235 1.00 22.60 H new ATOM 0 HD3 ARG A 318 35.314 71.386 23.507 1.00 22.60 H new ATOM 0 HE ARG A 318 33.095 70.949 25.030 1.00 21.53 H new ATOM 0 HH11 ARG A 318 35.387 69.410 23.188 1.00 21.15 H new ATOM 0 HH12 ARG A 318 34.661 68.114 23.087 1.00 21.15 H new ATOM 0 HH21 ARG A 318 32.014 68.965 24.850 1.00 19.53 H new ATOM 0 HH22 ARG A 318 32.631 67.845 24.086 1.00 19.53 H new ATOM 362 N GLY A 319 35.230 75.310 24.260 1.00 24.13 N ANISOU 362 N GLY A 319 4060 2828 2281 273 -51 1455 N ATOM 363 CA GLY A 319 34.506 75.823 23.105 1.00 26.20 C ANISOU 363 CA GLY A 319 4394 3118 2444 301 -151 1579 C ATOM 364 C GLY A 319 34.039 74.706 22.187 1.00 27.19 C ANISOU 364 C GLY A 319 4488 3445 2398 278 -161 1531 C ATOM 365 O GLY A 319 33.279 73.831 22.607 1.00 27.17 O ANISOU 365 O GLY A 319 4382 3545 2395 364 -174 1415 O ATOM 0 H GLY A 319 34.953 75.595 25.023 1.00 24.13 H new ATOM 0 HA2 GLY A 319 33.739 76.336 23.406 1.00 26.20 H new ATOM 0 HA3 GLY A 319 35.077 76.431 22.610 1.00 26.20 H new ATOM 369 N ASER A 320 34.486 74.744 20.930 0.86 24.39 N ANISOU 369 N ASER A 320 2666 3619 2985 826 184 1381 N ATOM 370 N BSER A 320 34.512 74.718 20.945 0.14 22.87 N ANISOU 370 N BSER A 320 2474 3423 2793 822 182 1378 N ATOM 371 CA ASER A 320 34.115 73.730 19.944 0.86 23.09 C ANISOU 371 CA ASER A 320 2403 3720 2650 791 170 1363 C ATOM 372 CA BSER A 320 34.120 73.706 19.971 0.14 22.34 C ANISOU 372 CA BSER A 320 2309 3623 2556 787 168 1359 C ATOM 373 C ASER A 320 35.332 73.000 19.378 0.86 19.75 C ANISOU 373 C ASER A 320 1984 3273 2246 700 164 1348 C ATOM 374 C BSER A 320 35.336 72.972 19.410 0.14 20.27 C ANISOU 374 C BSER A 320 2051 3338 2313 697 161 1343 C ATOM 375 O ASER A 320 35.468 72.838 18.164 0.86 20.62 O ANISOU 375 O ASER A 320 2046 3523 2266 744 209 1408 O ATOM 376 O BSER A 320 35.456 72.783 18.200 0.14 20.03 O ANISOU 376 O BSER A 320 1972 3451 2189 739 203 1401 O ATOM 377 CB ASER A 320 33.314 74.369 18.804 0.86 24.45 C ANISOU 377 CB ASER A 320 2497 4075 2716 929 252 1488 C ATOM 378 CB BSER A 320 33.314 74.347 18.839 0.14 24.11 C ANISOU 378 CB BSER A 320 2456 4031 2675 926 249 1483 C ATOM 379 OG ASER A 320 32.009 74.699 19.234 0.86 22.08 O ANISOU 379 OG ASER A 320 2160 3880 2351 1006 253 1491 O ATOM 380 OG BSER A 320 32.867 73.371 17.914 0.14 22.11 O ANISOU 380 OG BSER A 320 2117 4030 2252 896 204 1441 O ATOM 0 H ASER A 320 35.010 75.355 20.628 0.86 22.87 H new ATOM 0 H BSER A 320 35.063 75.306 20.646 0.14 22.87 H new ATOM 0 HA ASER A 320 33.567 73.073 20.401 0.86 22.34 H new ATOM 0 HA BSER A 320 33.564 73.053 20.424 0.14 22.34 H new ATOM 0 HB2ASER A 320 33.768 75.167 18.491 0.86 24.11 H new ATOM 0 HB2BSER A 320 32.552 74.820 19.208 0.14 24.11 H new ATOM 0 HB3ASER A 320 33.267 73.757 18.053 0.86 24.11 H new ATOM 0 HB3BSER A 320 33.861 75.004 18.381 0.14 24.11 H new ATOM 0 HG ASER A 320 31.597 73.998 19.445 0.86 22.11 H new ATOM 0 HG BSER A 320 33.529 73.020 17.535 0.14 22.11 H new ATOM 391 N ATHR A 321 36.219 72.566 20.268 0.86 20.41 N ANISOU 391 N ATHR A 321 2126 3190 2440 594 111 1270 N ATOM 392 N BTHR A 321 36.238 72.569 20.301 0.14 19.02 N ANISOU 392 N BTHR A 321 1952 3007 2268 592 110 1268 N ATOM 393 CA ATHR A 321 37.325 71.692 19.892 0.86 18.64 C ANISOU 393 CA ATHR A 321 1900 2961 2221 509 105 1244 C ATOM 394 CA BTHR A 321 37.364 71.715 19.935 0.14 20.03 C ANISOU 394 CA BTHR A 321 2079 3126 2406 507 105 1245 C ATOM 395 C ATHR A 321 37.314 70.453 20.783 0.86 18.32 C ANISOU 395 C ATHR A 321 1890 2931 2140 393 3 1089 C ATOM 396 C BTHR A 321 37.322 70.453 20.792 0.14 17.53 C ANISOU 396 C BTHR A 321 1790 2830 2041 392 3 1089 C ATOM 397 O ATHR A 321 36.593 70.409 21.775 0.86 18.52 O ANISOU 397 O ATHR A 321 1932 2938 2165 380 -53 1014 O ATOM 398 O BTHR A 321 36.582 70.387 21.770 0.14 17.30 O ANISOU 398 O BTHR A 321 1777 2788 2009 379 -54 1013 O ATOM 399 CB ATHR A 321 38.690 72.389 20.011 0.86 24.68 C ANISOU 399 CB ATHR A 321 2680 3500 3198 485 163 1331 C ATOM 400 CB BTHR A 321 38.722 72.426 20.129 0.14 24.22 C ANISOU 400 CB BTHR A 321 2626 3420 3155 479 158 1326 C ATOM 401 OG1ATHR A 321 39.701 71.545 19.446 0.86 34.48 O ANISOU 401 OG1ATHR A 321 3896 4785 4420 436 185 1332 O ATOM 402 OG1BTHR A 321 38.597 73.812 19.791 0.14 21.25 O ANISOU 402 OG1BTHR A 321 2246 2949 2878 571 242 1456 O ATOM 403 CG2ATHR A 321 39.032 72.688 21.475 0.86 19.43 C ANISOU 403 CG2ATHR A 321 2079 2601 2704 417 88 1254 C ATOM 404 CG2BTHR A 321 39.794 71.798 19.245 0.14 28.94 C ANISOU 404 CG2BTHR A 321 3184 4074 3739 455 212 1369 C ATOM 0 H ATHR A 321 36.197 72.769 21.103 0.86 19.02 H new ATOM 0 H BTHR A 321 36.214 72.783 21.134 0.14 19.02 H new ATOM 0 HA ATHR A 321 37.201 71.448 18.961 0.86 20.03 H new ATOM 0 HA BTHR A 321 37.284 71.496 18.993 0.14 20.03 H new ATOM 0 HB ATHR A 321 38.650 73.231 19.531 0.86 24.22 H new ATOM 0 HB BTHR A 321 38.982 72.331 21.059 0.14 24.22 H new ATOM 0 HG1ATHR A 321 40.191 71.246 20.059 0.86 21.25 H new ATOM 0 HG1BTHR A 321 39.337 74.195 19.899 0.14 21.25 H new ATOM 0 HG21ATHR A 321 39.896 73.127 21.523 0.86 28.94 H new ATOM 0 HG21BTHR A 321 40.637 72.258 19.382 0.14 28.94 H new ATOM 0 HG22ATHR A 321 38.354 73.269 21.854 0.86 28.94 H new ATOM 0 HG22BTHR A 321 39.896 70.861 19.476 0.14 28.94 H new ATOM 0 HG23ATHR A 321 39.063 71.858 21.976 0.86 28.94 H new ATOM 0 HG23BTHR A 321 39.532 71.874 18.314 0.14 28.94 H new ATOM 419 N GLY A 322 38.104 69.449 20.413 1.00 16.67 N ANISOU 419 N GLY A 322 1690 2755 1888 327 -7 1048 N ATOM 420 CA GLY A 322 38.199 68.231 21.182 1.00 12.91 C ANISOU 420 CA GLY A 322 1250 2278 1376 220 -87 913 C ATOM 421 C GLY A 322 38.748 68.468 22.580 1.00 14.96 C ANISOU 421 C GLY A 322 1541 2347 1795 177 -126 882 C ATOM 422 O GLY A 322 39.473 69.432 22.828 1.00 15.60 O ANISOU 422 O GLY A 322 1624 2258 2044 199 -99 957 O ATOM 0 H AGLY A 322 38.597 69.462 19.708 0.86 16.67 H new ATOM 0 H BGLY A 322 38.591 69.461 19.704 0.14 16.67 H new ATOM 0 HA2 GLY A 322 37.321 67.823 21.247 1.00 12.91 H new ATOM 0 HA3 GLY A 322 38.770 67.601 20.716 1.00 12.91 H new ATOM 426 N LEU A 323 38.404 67.578 23.499 1.00 13.40 N ANISOU 426 N LEU A 323 1369 2166 1557 111 -195 760 N ATOM 427 CA LEU A 323 38.902 67.670 24.867 1.00 12.34 C ANISOU 427 CA LEU A 323 1269 1874 1546 89 -250 707 C ATOM 428 C LEU A 323 40.383 67.321 24.989 1.00 12.47 C ANISOU 428 C LEU A 323 1292 1770 1676 28 -255 712 C ATOM 429 O LEU A 323 41.050 67.756 25.927 1.00 15.16 O ANISOU 429 O LEU A 323 1649 1942 2167 12 -297 663 O ATOM 430 CB LEU A 323 38.083 66.754 25.774 1.00 12.12 C ANISOU 430 CB LEU A 323 1259 1915 1431 51 -293 583 C ATOM 431 CG LEU A 323 36.671 67.251 26.070 1.00 13.35 C ANISOU 431 CG LEU A 323 1392 2147 1531 121 -281 583 C ATOM 432 CD1 LEU A 323 35.757 66.083 26.428 1.00 17.10 C ANISOU 432 CD1 LEU A 323 1843 2734 1922 52 -286 510 C ATOM 433 CD2 LEU A 323 36.733 68.242 27.206 1.00 18.23 C ANISOU 433 CD2 LEU A 323 2060 2629 2238 223 -309 579 C ATOM 0 H LEU A 323 37.882 66.911 23.353 1.00 13.40 H new ATOM 0 HA LEU A 323 38.806 68.595 25.141 1.00 12.34 H new ATOM 0 HB2 LEU A 323 38.025 65.878 25.362 1.00 12.12 H new ATOM 0 HB3 LEU A 323 38.556 66.642 26.613 1.00 12.12 H new ATOM 0 HG LEU A 323 36.306 67.683 25.282 1.00 13.35 H new ATOM 0 HD11 LEU A 323 34.865 66.415 26.613 1.00 17.10 H new ATOM 0 HD12 LEU A 323 35.722 65.460 25.686 1.00 17.10 H new ATOM 0 HD13 LEU A 323 36.102 65.630 27.213 1.00 17.10 H new ATOM 0 HD21 LEU A 323 35.840 68.565 27.403 1.00 18.23 H new ATOM 0 HD22 LEU A 323 37.101 67.810 27.993 1.00 18.23 H new ATOM 0 HD23 LEU A 323 37.298 68.989 26.954 1.00 18.23 H new ATOM 445 N GLY A 324 40.900 66.519 24.062 1.00 12.34 N ANISOU 445 N GLY A 324 1271 1840 1579 0 -205 737 N ATOM 446 CA GLY A 324 42.312 66.186 24.067 1.00 15.32 C ANISOU 446 CA GLY A 324 1640 2124 2057 -35 -170 747 C ATOM 447 C GLY A 324 42.695 65.085 25.029 1.00 12.22 C ANISOU 447 C GLY A 324 1292 1697 1652 -91 -212 607 C ATOM 448 O GLY A 324 43.719 65.157 25.712 1.00 10.32 O ANISOU 448 O GLY A 324 1027 1347 1547 -113 -233 592 O ATOM 0 H GLY A 324 40.448 66.160 23.425 1.00 12.34 H new ATOM 0 HA2 GLY A 324 42.573 65.922 23.171 1.00 15.32 H new ATOM 0 HA3 GLY A 324 42.819 66.983 24.287 1.00 15.32 H new ATOM 452 N PHE A 325 41.871 64.048 25.105 1.00 10.79 N ANISOU 452 N PHE A 325 1169 1612 1317 -118 -228 513 N ATOM 453 CA PHE A 325 42.321 62.839 25.779 1.00 10.11 C ANISOU 453 CA PHE A 325 1141 1492 1209 -155 -230 415 C ATOM 454 C PHE A 325 41.646 61.607 25.199 1.00 10.88 C ANISOU 454 C PHE A 325 1312 1678 1143 -198 -214 347 C ATOM 455 O PHE A 325 40.626 61.699 24.509 1.00 11.85 O ANISOU 455 O PHE A 325 1423 1913 1166 -218 -238 352 O ATOM 456 CB PHE A 325 42.111 62.933 27.303 1.00 8.85 C ANISOU 456 CB PHE A 325 989 1262 1113 -155 -295 341 C ATOM 457 CG PHE A 325 40.672 63.009 27.758 1.00 10.87 C ANISOU 457 CG PHE A 325 1248 1588 1296 -155 -328 313 C ATOM 458 CD1 PHE A 325 39.945 61.862 28.010 1.00 11.12 C ANISOU 458 CD1 PHE A 325 1312 1678 1236 -206 -317 263 C ATOM 459 CD2 PHE A 325 40.087 64.232 28.034 1.00 11.80 C ANISOU 459 CD2 PHE A 325 1330 1697 1455 -95 -361 348 C ATOM 460 CE1 PHE A 325 38.641 61.937 28.473 1.00 15.23 C ANISOU 460 CE1 PHE A 325 1796 2278 1712 -205 -333 270 C ATOM 461 CE2 PHE A 325 38.789 64.315 28.493 1.00 12.47 C ANISOU 461 CE2 PHE A 325 1403 1864 1471 -61 -367 342 C ATOM 462 CZ PHE A 325 38.062 63.167 28.714 1.00 15.11 C ANISOU 462 CZ PHE A 325 1741 2275 1726 -117 -340 305 C ATOM 0 H PHE A 325 41.073 64.022 24.785 1.00 10.79 H new ATOM 0 HA PHE A 325 43.275 62.752 25.625 1.00 10.11 H new ATOM 0 HB2 PHE A 325 42.525 62.161 27.719 1.00 8.85 H new ATOM 0 HB3 PHE A 325 42.579 63.717 27.631 1.00 8.85 H new ATOM 0 HD1 PHE A 325 40.335 61.030 27.867 1.00 11.12 H new ATOM 0 HD2 PHE A 325 40.578 65.012 27.908 1.00 11.80 H new ATOM 0 HE1 PHE A 325 38.155 61.158 28.622 1.00 15.23 H new ATOM 0 HE2 PHE A 325 38.405 65.147 28.653 1.00 12.47 H new ATOM 0 HZ PHE A 325 37.187 63.220 29.024 1.00 15.11 H new ATOM 472 N AASN A 326 42.247 60.456 25.472 0.66 10.32 N ANISOU 472 N AASN A 326 1318 1553 1051 -212 -180 284 N ATOM 473 N BASN A 326 42.248 60.448 25.445 0.34 10.09 N ANISOU 473 N BASN A 326 1290 1525 1020 -212 -179 285 N ATOM 474 CA AASN A 326 41.695 59.181 25.059 0.66 11.53 C ANISOU 474 CA AASN A 326 1572 1728 1081 -272 -172 195 C ATOM 475 CA BASN A 326 41.703 59.176 24.984 0.34 11.26 C ANISOU 475 CA BASN A 326 1541 1698 1042 -271 -170 196 C ATOM 476 C AASN A 326 41.039 58.488 26.223 0.66 9.30 C ANISOU 476 C AASN A 326 1312 1395 826 -337 -196 136 C ATOM 477 C BASN A 326 41.149 58.371 26.153 0.34 9.93 C ANISOU 477 C BASN A 326 1406 1468 901 -335 -188 131 C ATOM 478 O AASN A 326 41.424 58.691 27.375 0.66 9.62 O ANISOU 478 O AASN A 326 1327 1377 950 -294 -195 152 O ATOM 479 O BASN A 326 41.703 58.404 27.249 0.34 7.56 O ANISOU 479 O BASN A 326 1094 1098 681 -290 -176 144 O ATOM 480 CB AASN A 326 42.774 58.273 24.496 0.66 12.21 C ANISOU 480 CB AASN A 326 1761 1762 1116 -218 -90 176 C ATOM 481 CB BASN A 326 42.774 58.363 24.255 0.34 13.96 C ANISOU 481 CB BASN A 326 1981 2001 1322 -211 -87 184 C ATOM 482 CG AASN A 326 43.300 58.751 23.175 0.66 19.78 C ANISOU 482 CG AASN A 326 2711 2801 2005 -134 -40 249 C ATOM 483 CG BASN A 326 42.629 58.426 22.751 0.34 19.60 C ANISOU 483 CG BASN A 326 2736 2821 1892 -172 -72 191 C ATOM 484 OD1AASN A 326 43.024 59.869 22.737 0.66 18.58 O ANISOU 484 OD1AASN A 326 2463 2726 1871 -114 -59 337 O ATOM 485 OD1BASN A 326 42.735 59.490 22.146 0.34 16.93 O ANISOU 485 OD1BASN A 326 2309 2565 1560 -113 -60 300 O ATOM 486 ND2AASN A 326 44.063 57.902 22.524 0.66 29.45 N ANISOU 486 ND2AASN A 326 4045 4007 3138 -58 42 229 N ATOM 487 ND2BASN A 326 42.390 57.279 22.141 0.34 21.82 N ANISOU 487 ND2BASN A 326 3164 3091 2035 -196 -71 74 N ATOM 0 H AASN A 326 42.989 60.396 25.903 0.66 10.09 H new ATOM 0 H BASN A 326 42.984 60.377 25.884 0.34 10.09 H new ATOM 0 HA AASN A 326 41.037 59.360 24.369 0.66 11.26 H new ATOM 0 HA BASN A 326 40.980 59.367 24.366 0.34 11.26 H new ATOM 0 HB2AASN A 326 43.506 58.215 25.130 0.66 13.96 H new ATOM 0 HB2BASN A 326 43.651 58.692 24.506 0.34 13.96 H new ATOM 0 HB3AASN A 326 42.417 57.377 24.393 0.66 13.96 H new ATOM 0 HB3BASN A 326 42.725 57.438 24.543 0.34 13.96 H new ATOM 0 HD21AASN A 326 44.392 58.118 21.759 0.66 21.82 H new ATOM 0 HD21BASN A 326 42.302 57.257 21.286 0.34 21.82 H new ATOM 0 HD22AASN A 326 44.233 57.130 22.862 0.66 21.82 H new ATOM 0 HD22BASN A 326 42.322 56.554 22.599 0.34 21.82 H new ATOM 500 N ILE A 327 40.056 57.651 25.903 1.00 11.69 N ANISOU 500 N ILE A 327 1660 1725 1057 -440 -222 71 N ATOM 501 CA ILE A 327 39.432 56.796 26.911 1.00 11.45 C ANISOU 501 CA ILE A 327 1649 1634 1066 -515 -216 44 C ATOM 502 C ILE A 327 39.538 55.335 26.511 1.00 11.97 C ANISOU 502 C ILE A 327 1863 1591 1095 -593 -183 -44 C ATOM 503 O ILE A 327 39.564 55.000 25.321 1.00 13.93 O ANISOU 503 O ILE A 327 2189 1854 1249 -623 -206 -117 O ATOM 504 CB ILE A 327 37.946 57.146 27.145 1.00 11.73 C ANISOU 504 CB ILE A 327 1567 1785 1104 -596 -278 76 C ATOM 505 CG1 ILE A 327 37.157 57.081 25.837 1.00 14.69 C ANISOU 505 CG1 ILE A 327 1919 2263 1401 -675 -340 37 C ATOM 506 CG2 ILE A 327 37.813 58.516 27.782 1.00 17.32 C ANISOU 506 CG2 ILE A 327 2169 2561 1851 -486 -292 157 C ATOM 507 CD1 ILE A 327 35.648 57.144 26.037 1.00 21.77 C ANISOU 507 CD1 ILE A 327 2687 3257 2326 -735 -371 79 C ATOM 0 H AILE A 327 39.736 57.562 25.110 0.66 11.69 H new ATOM 0 H BILE A 327 39.655 57.645 25.142 0.34 11.69 H new ATOM 0 HA ILE A 327 39.913 56.952 27.739 1.00 11.45 H new ATOM 0 HB ILE A 327 37.574 56.488 27.754 1.00 11.73 H new ATOM 0 HG12 ILE A 327 37.432 57.814 25.265 1.00 14.69 H new ATOM 0 HG13 ILE A 327 37.381 56.259 25.372 1.00 14.69 H new ATOM 0 HG21 ILE A 327 36.875 58.719 27.921 1.00 17.32 H new ATOM 0 HG22 ILE A 327 38.275 58.523 28.635 1.00 17.32 H new ATOM 0 HG23 ILE A 327 38.204 59.184 27.198 1.00 17.32 H new ATOM 0 HD11 ILE A 327 35.205 57.099 25.175 1.00 21.77 H new ATOM 0 HD12 ILE A 327 35.363 56.397 26.586 1.00 21.77 H new ATOM 0 HD13 ILE A 327 35.414 57.976 26.477 1.00 21.77 H new ATOM 518 N AVAL A 328 39.605 54.473 27.523 0.60 10.85 N ANISOU 518 N AVAL A 328 1774 1332 1016 -606 -125 -37 N ATOM 519 N BVAL A 328 39.582 54.470 27.520 0.40 11.30 N ANISOU 519 N BVAL A 328 1830 1390 1073 -608 -126 -37 N ATOM 520 CA AVAL A 328 39.540 53.029 27.339 0.60 14.53 C ANISOU 520 CA AVAL A 328 2393 1645 1482 -694 -83 -110 C ATOM 521 CA BVAL A 328 39.537 53.028 27.321 0.40 14.36 C ANISOU 521 CA BVAL A 328 2372 1624 1459 -695 -84 -112 C ATOM 522 C AVAL A 328 38.479 52.452 28.268 0.60 14.57 C ANISOU 522 C AVAL A 328 2349 1609 1578 -815 -73 -64 C ATOM 523 C BVAL A 328 38.518 52.427 28.286 0.40 14.55 C ANISOU 523 C BVAL A 328 2351 1601 1576 -811 -70 -64 C ATOM 524 O AVAL A 328 38.118 53.069 29.271 0.60 13.30 O ANISOU 524 O AVAL A 328 2062 1532 1460 -762 -62 36 O ATOM 525 O BVAL A 328 38.228 53.005 29.334 0.40 13.55 O ANISOU 525 O BVAL A 328 2106 1549 1493 -751 -52 37 O ATOM 526 CB AVAL A 328 40.909 52.355 27.600 0.60 15.88 C ANISOU 526 CB AVAL A 328 2703 1678 1651 -553 28 -108 C ATOM 527 CB BVAL A 328 40.932 52.386 27.512 0.40 16.07 C ANISOU 527 CB BVAL A 328 2729 1707 1669 -552 25 -112 C ATOM 528 CG1AVAL A 328 41.931 52.826 26.601 0.60 15.52 C ANISOU 528 CG1AVAL A 328 2687 1685 1523 -436 39 -124 C ATOM 529 CG1BVAL A 328 41.448 52.619 28.930 0.40 13.42 C ANISOU 529 CG1BVAL A 328 2328 1370 1402 -433 80 -8 C ATOM 530 CG2AVAL A 328 41.393 52.632 29.017 0.60 14.72 C ANISOU 530 CG2AVAL A 328 2485 1536 1570 -435 79 -3 C ATOM 531 CG2BVAL A 328 40.885 50.898 27.199 0.40 24.44 C ANISOU 531 CG2BVAL A 328 3991 2573 2724 -623 78 -199 C ATOM 0 H AVAL A 328 39.690 54.715 28.344 0.60 11.30 H new ATOM 0 H BVAL A 328 39.639 54.707 28.345 0.40 11.30 H new ATOM 0 HA AVAL A 328 39.303 52.848 26.416 0.60 14.36 H new ATOM 0 HA BVAL A 328 39.266 52.842 26.408 0.40 14.36 H new ATOM 0 HB AVAL A 328 40.793 51.397 27.499 0.60 16.07 H new ATOM 0 HB BVAL A 328 41.546 52.810 26.893 0.40 16.07 H new ATOM 0 HG11AVAL A 328 42.781 52.394 26.779 0.60 13.42 H new ATOM 0 HG11BVAL A 328 42.322 52.209 29.028 0.40 13.42 H new ATOM 0 HG12AVAL A 328 41.636 52.600 25.705 0.60 13.42 H new ATOM 0 HG12BVAL A 328 41.518 53.572 29.097 0.40 13.42 H new ATOM 0 HG13AVAL A 328 42.036 53.788 26.674 0.60 13.42 H new ATOM 0 HG13BVAL A 328 40.833 52.224 29.567 0.40 13.42 H new ATOM 0 HG21AVAL A 328 42.250 52.200 29.156 0.60 24.44 H new ATOM 0 HG21BVAL A 328 41.766 50.513 27.324 0.40 24.44 H new ATOM 0 HG22AVAL A 328 41.488 53.589 29.145 0.60 24.44 H new ATOM 0 HG22BVAL A 328 40.255 50.462 27.794 0.40 24.44 H new ATOM 0 HG23AVAL A 328 40.749 52.283 29.653 0.60 24.44 H new ATOM 0 HG23BVAL A 328 40.604 50.769 26.280 0.40 24.44 H new ATOM 550 N GLY A 329 37.977 51.267 27.923 1.00 16.60 N ANISOU 550 N GLY A 329 2711 1730 1868 -972 -74 -135 N ATOM 551 CA GLY A 329 37.059 50.542 28.784 1.00 17.89 C ANISOU 551 CA GLY A 329 2808 1838 2154 -1058 -35 -59 C ATOM 552 C GLY A 329 35.665 50.439 28.218 1.00 30.86 C ANISOU 552 C GLY A 329 4314 3574 3838 -1208 -139 -83 C ATOM 553 O GLY A 329 35.483 50.397 27.003 1.00 37.12 O ANISOU 553 O GLY A 329 5135 4403 4564 -1255 -235 -200 O ATOM 0 H AGLY A 329 38.161 50.866 27.185 0.60 16.60 H new ATOM 0 H BGLY A 329 38.134 50.881 27.170 0.40 16.60 H new ATOM 0 HA2 GLY A 329 37.406 49.649 28.937 1.00 17.89 H new ATOM 0 HA3 GLY A 329 37.019 50.983 29.647 1.00 17.89 H new ATOM 557 N GLY A 330 34.677 50.379 29.109 1.00 29.37 N ANISOU 557 N GLY A 330 3973 3430 3758 -1264 -111 39 N ATOM 558 CA GLY A 330 33.283 50.420 28.712 1.00 29.36 C ANISOU 558 CA GLY A 330 3800 3545 3811 -1391 -201 50 C ATOM 559 C GLY A 330 32.648 49.055 28.550 1.00 39.77 C ANISOU 559 C GLY A 330 5139 4693 5278 -1556 -207 7 C ATOM 560 O GLY A 330 31.438 48.943 28.350 1.00 41.89 O ANISOU 560 O GLY A 330 5249 5038 5631 -1683 -273 27 O ATOM 0 H GLY A 330 34.801 50.314 29.957 1.00 29.37 H new ATOM 0 HA2 GLY A 330 32.783 50.923 29.374 1.00 29.36 H new ATOM 0 HA3 GLY A 330 33.209 50.902 27.874 1.00 29.36 H new ATOM 564 N GLU A 331 33.462 48.011 28.641 1.00 37.43 N ANISOU 564 N GLU A 331 5036 4159 5027 -1549 -136 -47 N ATOM 565 CA GLU A 331 32.965 46.656 28.450 1.00 50.08 C ANISOU 565 CA GLU A 331 6683 5553 6793 -1705 -144 -98 C ATOM 566 C GLU A 331 32.509 46.045 29.774 1.00 52.90 C ANISOU 566 C GLU A 331 6949 5804 7348 -1732 1 94 C ATOM 567 O GLU A 331 33.313 45.811 30.677 1.00 53.85 O ANISOU 567 O GLU A 331 7163 5828 7469 -1596 139 200 O ATOM 568 CB GLU A 331 34.041 45.788 27.795 1.00 62.63 C ANISOU 568 CB GLU A 331 8543 6929 8326 -1660 -135 -250 C ATOM 569 CG GLU A 331 33.833 45.577 26.298 1.00 79.47 C ANISOU 569 CG GLU A 331 10748 9067 10379 -1743 -295 -463 C ATOM 570 CD GLU A 331 33.906 46.868 25.501 1.00 90.00 C ANISOU 570 CD GLU A 331 12016 10663 11517 -1663 -388 -505 C ATOM 571 OE1 GLU A 331 35.013 47.435 25.378 1.00 90.15 O ANISOU 571 OE1 GLU A 331 12142 10720 11389 -1498 -331 -508 O ATOM 572 OE2 GLU A 331 32.856 47.315 24.994 1.00 95.39 O ANISOU 572 OE2 GLU A 331 12529 11512 12203 -1758 -513 -522 O ATOM 0 H GLU A 331 34.303 48.065 28.812 1.00 37.43 H new ATOM 0 HA GLU A 331 32.195 46.694 27.862 1.00 50.08 H new ATOM 0 HB2 GLU A 331 34.908 46.199 27.938 1.00 62.63 H new ATOM 0 HB3 GLU A 331 34.061 44.924 28.236 1.00 62.63 H new ATOM 0 HG2 GLU A 331 34.504 44.960 25.967 1.00 79.47 H new ATOM 0 HG3 GLU A 331 32.969 45.161 26.152 1.00 79.47 H new ATOM 579 N ASP A 332 31.204 45.812 29.882 1.00 53.16 N ANISOU 579 N ASP A 332 6787 5873 7538 -1894 -20 151 N ATOM 580 CA ASP A 332 30.615 45.127 31.033 1.00 52.74 C ANISOU 580 CA ASP A 332 6632 5711 7696 -1940 150 340 C ATOM 581 C ASP A 332 30.751 45.922 32.332 1.00 47.97 C ANISOU 581 C ASP A 332 5957 5261 7009 -1752 319 541 C ATOM 582 O ASP A 332 31.056 45.357 33.381 1.00 40.02 O ANISOU 582 O ASP A 332 5010 4126 6068 -1668 518 682 O ATOM 583 CB ASP A 332 31.255 43.746 31.206 1.00 56.12 C ANISOU 583 CB ASP A 332 7239 5807 8275 -1957 216 347 C ATOM 0 H ASP A 332 30.630 46.048 29.286 1.00 53.16 H new ATOM 0 HA ASP A 332 29.667 45.037 30.850 1.00 52.74 H new ATOM 586 N GLY A 333 30.517 47.230 32.261 1.00 47.55 N ANISOU 586 N GLY A 333 5794 5485 6790 -1671 242 552 N ATOM 587 CA GLY A 333 30.524 48.072 33.446 1.00 41.93 C ANISOU 587 CA GLY A 333 5016 4946 5971 -1485 358 723 C ATOM 588 C GLY A 333 31.873 48.175 34.138 1.00 38.15 C ANISOU 588 C GLY A 333 4716 4393 5387 -1282 460 754 C ATOM 589 O GLY A 333 31.956 48.555 35.308 1.00 38.86 O ANISOU 589 O GLY A 333 4798 4588 5377 -1115 562 895 O ATOM 0 H GLY A 333 30.351 47.649 31.529 1.00 47.55 H new ATOM 0 HA2 GLY A 333 30.232 48.963 33.198 1.00 41.93 H new ATOM 0 HA3 GLY A 333 29.874 47.727 34.078 1.00 41.93 H new ATOM 593 N GLU A 334 32.935 47.845 33.415 1.00 28.10 N ANISOU 593 N GLU A 334 3605 2971 4101 -1273 392 625 N ATOM 594 CA GLU A 334 34.278 47.888 33.977 1.00 29.00 C ANISOU 594 CA GLU A 334 3874 3030 4114 -1077 454 661 C ATOM 595 C GLU A 334 34.713 49.323 34.267 1.00 27.05 C ANISOU 595 C GLU A 334 3599 2994 3684 -923 425 661 C ATOM 596 O GLU A 334 35.616 49.544 35.071 1.00 25.63 O ANISOU 596 O GLU A 334 3505 2824 3408 -730 495 722 O ATOM 597 CB GLU A 334 35.277 47.212 33.032 1.00 32.72 C ANISOU 597 CB GLU A 334 4558 3322 4550 -1101 393 480 C ATOM 598 CG GLU A 334 35.542 47.950 31.719 1.00 32.56 C ANISOU 598 CG GLU A 334 4576 3386 4410 -1149 249 282 C ATOM 599 CD GLU A 334 36.332 47.100 30.737 1.00 37.59 C ANISOU 599 CD GLU A 334 5423 3842 5016 -1164 224 116 C ATOM 600 OE1 GLU A 334 36.424 47.474 29.543 1.00 36.30 O ANISOU 600 OE1 GLU A 334 5297 3737 4757 -1209 111 -35 O ATOM 601 OE2 GLU A 334 36.865 46.055 31.168 1.00 38.39 O ANISOU 601 OE2 GLU A 334 5657 3756 5174 -1104 327 150 O ATOM 0 H GLU A 334 32.899 47.592 32.594 1.00 28.10 H new ATOM 0 HA GLU A 334 34.263 47.403 34.817 1.00 29.00 H new ATOM 0 HB2 GLU A 334 36.120 47.104 33.500 1.00 32.72 H new ATOM 0 HB3 GLU A 334 34.952 46.322 32.825 1.00 32.72 H new ATOM 0 HG2 GLU A 334 34.697 48.206 31.317 1.00 32.56 H new ATOM 0 HG3 GLU A 334 36.029 48.769 31.902 1.00 32.56 H new ATOM 608 N GLY A 335 34.064 50.292 33.621 1.00 16.99 N ANISOU 608 N GLY A 335 2193 1898 2362 -990 298 603 N ATOM 609 CA GLY A 335 34.423 51.695 33.786 1.00 14.92 C ANISOU 609 CA GLY A 335 1882 1827 1960 -844 240 610 C ATOM 610 C GLY A 335 35.085 52.312 32.570 1.00 15.70 C ANISOU 610 C GLY A 335 2044 1938 1983 -860 111 433 C ATOM 611 O GLY A 335 35.553 51.603 31.682 1.00 15.04 O ANISOU 611 O GLY A 335 2090 1712 1912 -969 83 316 O ATOM 0 H GLY A 335 33.410 50.154 33.080 1.00 16.99 H new ATOM 0 HA2 GLY A 335 33.623 52.201 33.998 1.00 14.92 H new ATOM 0 HA3 GLY A 335 35.021 51.779 34.545 1.00 14.92 H new ATOM 615 N ILE A 336 35.104 53.644 32.542 1.00 12.29 N ANISOU 615 N ILE A 336 1528 1670 1470 -735 45 425 N ATOM 616 CA ILE A 336 35.717 54.425 31.479 1.00 11.16 C ANISOU 616 CA ILE A 336 1418 1561 1262 -717 -54 306 C ATOM 617 C ILE A 336 36.929 55.131 32.072 1.00 11.39 C ANISOU 617 C ILE A 336 1511 1572 1246 -509 -40 289 C ATOM 618 O ILE A 336 36.773 55.898 33.023 1.00 10.98 O ANISOU 618 O ILE A 336 1402 1601 1169 -367 -33 347 O ATOM 619 CB ILE A 336 34.721 55.459 30.892 1.00 13.15 C ANISOU 619 CB ILE A 336 1512 2003 1481 -751 -144 329 C ATOM 620 CG1 ILE A 336 33.447 54.777 30.375 1.00 15.24 C ANISOU 620 CG1 ILE A 336 1672 2321 1797 -957 -184 351 C ATOM 621 CG2 ILE A 336 35.395 56.314 29.813 1.00 12.98 C ANISOU 621 CG2 ILE A 336 1527 2013 1393 -706 -222 242 C ATOM 622 CD1 ILE A 336 33.673 53.786 29.236 1.00 18.90 C ANISOU 622 CD1 ILE A 336 2263 2653 2265 -1081 -234 205 C ATOM 0 H ILE A 336 34.750 54.128 33.159 1.00 12.29 H new ATOM 0 HA ILE A 336 35.980 53.842 30.750 1.00 11.16 H new ATOM 0 HB ILE A 336 34.449 56.056 31.607 1.00 13.15 H new ATOM 0 HG12 ILE A 336 33.021 54.312 31.112 1.00 15.24 H new ATOM 0 HG13 ILE A 336 32.828 55.461 30.075 1.00 15.24 H new ATOM 0 HG21 ILE A 336 34.756 56.953 29.460 1.00 12.98 H new ATOM 0 HG22 ILE A 336 36.147 56.790 30.200 1.00 12.98 H new ATOM 0 HG23 ILE A 336 35.709 55.742 29.096 1.00 12.98 H new ATOM 0 HD11 ILE A 336 32.824 53.401 28.968 1.00 18.90 H new ATOM 0 HD12 ILE A 336 34.071 54.246 28.481 1.00 18.90 H new ATOM 0 HD13 ILE A 336 34.268 53.080 29.534 1.00 18.90 H new ATOM 634 N PHE A 337 38.122 54.880 31.527 1.00 9.18 N ANISOU 634 N PHE A 337 1344 1193 953 -484 -42 210 N ATOM 635 CA PHE A 337 39.371 55.433 32.063 1.00 9.30 C ANISOU 635 CA PHE A 337 1391 1191 951 -316 -43 200 C ATOM 636 C PHE A 337 40.130 56.278 31.043 1.00 8.83 C ANISOU 636 C PHE A 337 1320 1152 883 -304 -105 148 C ATOM 637 O PHE A 337 40.093 56.003 29.842 1.00 9.96 O ANISOU 637 O PHE A 337 1496 1286 1004 -391 -113 107 O ATOM 638 CB PHE A 337 40.291 54.300 32.555 1.00 9.50 C ANISOU 638 CB PHE A 337 1532 1093 983 -254 45 209 C ATOM 639 CG PHE A 337 39.649 53.409 33.562 1.00 9.55 C ANISOU 639 CG PHE A 337 1559 1061 1008 -250 136 294 C ATOM 640 CD1 PHE A 337 38.884 52.321 33.164 1.00 11.10 C ANISOU 640 CD1 PHE A 337 1799 1156 1260 -414 192 308 C ATOM 641 CD2 PHE A 337 39.781 53.667 34.917 1.00 12.26 C ANISOU 641 CD2 PHE A 337 1877 1466 1314 -80 164 364 C ATOM 642 CE1 PHE A 337 38.281 51.514 34.087 1.00 16.11 C ANISOU 642 CE1 PHE A 337 2435 1741 1944 -420 295 422 C ATOM 643 CE2 PHE A 337 39.166 52.852 35.851 1.00 17.54 C ANISOU 643 CE2 PHE A 337 2557 2115 1992 -50 275 481 C ATOM 644 CZ PHE A 337 38.418 51.782 35.438 1.00 15.08 C ANISOU 644 CZ PHE A 337 2271 1691 1767 -225 352 526 C ATOM 0 H PHE A 337 38.230 54.383 30.834 1.00 9.18 H new ATOM 0 HA PHE A 337 39.120 56.011 32.801 1.00 9.30 H new ATOM 0 HB2 PHE A 337 40.572 53.767 31.794 1.00 9.50 H new ATOM 0 HB3 PHE A 337 41.092 54.688 32.941 1.00 9.50 H new ATOM 0 HD1 PHE A 337 38.781 52.139 32.258 1.00 11.10 H new ATOM 0 HD2 PHE A 337 40.287 54.394 35.201 1.00 12.26 H new ATOM 0 HE1 PHE A 337 37.778 50.784 33.807 1.00 16.11 H new ATOM 0 HE2 PHE A 337 39.261 53.031 36.759 1.00 17.54 H new ATOM 0 HZ PHE A 337 38.002 51.235 36.065 1.00 15.08 H new ATOM 654 N ILE A 338 40.827 57.300 31.532 1.00 8.35 N ANISOU 654 N ILE A 338 1215 1117 842 -191 -152 152 N ATOM 655 CA ILE A 338 41.707 58.099 30.695 1.00 7.85 C ANISOU 655 CA ILE A 338 1122 1051 809 -177 -191 141 C ATOM 656 C ILE A 338 43.010 57.322 30.456 1.00 10.06 C ANISOU 656 C ILE A 338 1462 1265 1097 -136 -135 139 C ATOM 657 O ILE A 338 43.676 56.897 31.408 1.00 9.75 O ANISOU 657 O ILE A 338 1442 1196 1067 -52 -117 148 O ATOM 658 CB ILE A 338 41.991 59.475 31.331 1.00 9.63 C ANISOU 658 CB ILE A 338 1278 1292 1090 -98 -272 142 C ATOM 659 CG1 ILE A 338 40.691 60.267 31.528 1.00 13.22 C ANISOU 659 CG1 ILE A 338 1690 1812 1520 -94 -305 155 C ATOM 660 CG2 ILE A 338 43.009 60.256 30.484 1.00 11.03 C ANISOU 660 CG2 ILE A 338 1405 1442 1343 -103 -297 164 C ATOM 661 CD1 ILE A 338 40.893 61.668 32.123 1.00 13.51 C ANISOU 661 CD1 ILE A 338 1702 1824 1608 -4 -386 135 C ATOM 0 H ILE A 338 40.801 57.547 32.355 1.00 8.35 H new ATOM 0 HA ILE A 338 41.271 58.266 29.845 1.00 7.85 H new ATOM 0 HB ILE A 338 42.379 59.336 32.209 1.00 9.63 H new ATOM 0 HG12 ILE A 338 40.243 60.351 30.672 1.00 13.22 H new ATOM 0 HG13 ILE A 338 40.101 59.762 32.109 1.00 13.22 H new ATOM 0 HG21 ILE A 338 43.178 61.118 30.895 1.00 11.03 H new ATOM 0 HG22 ILE A 338 43.838 59.755 30.431 1.00 11.03 H new ATOM 0 HG23 ILE A 338 42.654 60.388 29.591 1.00 11.03 H new ATOM 0 HD11 ILE A 338 40.033 62.106 32.218 1.00 13.51 H new ATOM 0 HD12 ILE A 338 41.315 61.592 32.993 1.00 13.51 H new ATOM 0 HD13 ILE A 338 41.459 62.191 31.534 1.00 13.51 H new ATOM 673 N SER A 339 43.362 57.124 29.189 1.00 9.88 N ANISOU 673 N SER A 339 1468 1237 1050 -168 -100 138 N ATOM 674 CA SER A 339 44.568 56.379 28.829 1.00 9.78 C ANISOU 674 CA SER A 339 1515 1176 1026 -98 -22 153 C ATOM 675 C SER A 339 45.706 57.269 28.333 1.00 12.29 C ANISOU 675 C SER A 339 1729 1533 1407 -37 -28 222 C ATOM 676 O SER A 339 46.852 56.827 28.250 1.00 12.73 O ANISOU 676 O SER A 339 1784 1579 1475 50 36 269 O ATOM 677 CB SER A 339 44.248 55.357 27.748 1.00 14.31 C ANISOU 677 CB SER A 339 2224 1707 1506 -142 41 101 C ATOM 678 OG SER A 339 43.717 56.022 26.609 1.00 13.26 O ANISOU 678 OG SER A 339 2059 1655 1325 -195 0 91 O ATOM 0 H SER A 339 42.912 57.415 28.516 1.00 9.88 H new ATOM 0 HA SER A 339 44.867 55.945 29.643 1.00 9.78 H new ATOM 0 HB2 SER A 339 45.049 54.868 27.504 1.00 14.31 H new ATOM 0 HB3 SER A 339 43.610 54.708 28.082 1.00 14.31 H new ATOM 0 HG SER A 339 43.916 55.592 25.915 1.00 13.26 H new ATOM 684 N PHE A 340 45.379 58.505 27.977 1.00 11.70 N ANISOU 684 N PHE A 340 1572 1479 1393 -197 35 48 N ATOM 685 CA PHE A 340 46.308 59.386 27.261 1.00 11.02 C ANISOU 685 CA PHE A 340 1477 1378 1333 -175 75 95 C ATOM 686 C PHE A 340 45.776 60.803 27.298 1.00 13.42 C ANISOU 686 C PHE A 340 1760 1693 1645 -157 48 143 C ATOM 687 O PHE A 340 44.601 61.033 27.012 1.00 12.09 O ANISOU 687 O PHE A 340 1596 1583 1416 -153 19 157 O ATOM 688 CB PHE A 340 46.484 58.924 25.810 1.00 14.42 C ANISOU 688 CB PHE A 340 1953 1840 1687 -180 130 92 C ATOM 689 CG PHE A 340 47.339 59.834 24.964 1.00 10.22 C ANISOU 689 CG PHE A 340 1413 1299 1173 -151 184 154 C ATOM 690 CD1 PHE A 340 46.782 60.925 24.323 1.00 13.08 C ANISOU 690 CD1 PHE A 340 1770 1705 1496 -133 174 210 C ATOM 691 CD2 PHE A 340 48.689 59.577 24.771 1.00 12.01 C ANISOU 691 CD2 PHE A 340 1630 1475 1460 -134 255 171 C ATOM 692 CE1 PHE A 340 47.548 61.754 23.535 1.00 17.53 C ANISOU 692 CE1 PHE A 340 2327 2253 2081 -103 235 277 C ATOM 693 CE2 PHE A 340 49.465 60.414 23.976 1.00 13.58 C ANISOU 693 CE2 PHE A 340 1814 1663 1682 -108 314 236 C ATOM 694 CZ PHE A 340 48.893 61.495 23.359 1.00 16.72 C ANISOU 694 CZ PHE A 340 2216 2098 2041 -95 305 287 C ATOM 0 H PHE A 340 44.614 58.861 28.141 1.00 11.70 H new ATOM 0 HA PHE A 340 47.175 59.352 27.694 1.00 11.02 H new ATOM 0 HB2 PHE A 340 46.877 58.037 25.810 1.00 14.42 H new ATOM 0 HB3 PHE A 340 45.609 58.846 25.399 1.00 14.42 H new ATOM 0 HD1 PHE A 340 45.875 61.102 24.426 1.00 13.08 H new ATOM 0 HD2 PHE A 340 49.079 58.837 25.178 1.00 12.01 H new ATOM 0 HE1 PHE A 340 47.159 62.490 23.120 1.00 17.53 H new ATOM 0 HE2 PHE A 340 50.372 60.240 23.863 1.00 13.58 H new ATOM 0 HZ PHE A 340 49.409 62.053 22.823 1.00 16.72 H new ATOM 704 N ILE A 341 46.639 61.748 27.646 1.00 11.13 N ANISOU 704 N ILE A 341 1444 1347 1438 -146 64 173 N ATOM 705 CA ILE A 341 46.280 63.160 27.601 1.00 8.95 C ANISOU 705 CA ILE A 341 1161 1053 1186 -126 68 221 C ATOM 706 C ILE A 341 47.181 63.858 26.602 1.00 9.74 C ANISOU 706 C ILE A 341 1254 1129 1316 -114 132 279 C ATOM 707 O ILE A 341 48.398 63.740 26.667 1.00 10.47 O ANISOU 707 O ILE A 341 1323 1180 1473 -130 160 279 O ATOM 708 CB ILE A 341 46.359 63.790 28.993 1.00 9.63 C ANISOU 708 CB ILE A 341 1237 1079 1345 -137 36 195 C ATOM 709 CG1 ILE A 341 45.320 63.115 29.896 1.00 13.31 C ANISOU 709 CG1 ILE A 341 1712 1576 1767 -136 -14 153 C ATOM 710 CG2 ILE A 341 46.129 65.293 28.928 1.00 11.81 C ANISOU 710 CG2 ILE A 341 1521 1303 1662 -118 66 240 C ATOM 711 CD1 ILE A 341 45.309 63.606 31.289 1.00 19.88 C ANISOU 711 CD1 ILE A 341 2551 2361 2643 -143 -42 120 C ATOM 0 H ILE A 341 47.442 61.592 27.913 1.00 11.13 H new ATOM 0 HA ILE A 341 45.360 63.259 27.311 1.00 8.95 H new ATOM 0 HB ILE A 341 47.247 63.653 29.360 1.00 9.63 H new ATOM 0 HG12 ILE A 341 44.439 63.247 29.511 1.00 13.31 H new ATOM 0 HG13 ILE A 341 45.486 62.159 29.903 1.00 13.31 H new ATOM 0 HG21 ILE A 341 46.184 65.668 29.821 1.00 11.81 H new ATOM 0 HG22 ILE A 341 46.806 65.700 28.365 1.00 11.81 H new ATOM 0 HG23 ILE A 341 45.251 65.470 28.557 1.00 11.81 H new ATOM 0 HD11 ILE A 341 44.629 63.133 31.794 1.00 19.88 H new ATOM 0 HD12 ILE A 341 46.177 63.452 31.694 1.00 19.88 H new ATOM 0 HD13 ILE A 341 45.114 64.556 31.296 1.00 19.88 H new ATOM 723 N LEU A 342 46.565 64.567 25.663 1.00 10.86 N ANISOU 723 N LEU A 342 1409 1307 1412 -80 158 343 N ATOM 724 CA LEU A 342 47.292 65.225 24.587 1.00 11.77 C ANISOU 724 CA LEU A 342 1522 1408 1540 -58 231 414 C ATOM 725 C LEU A 342 47.978 66.484 25.085 1.00 11.04 C ANISOU 725 C LEU A 342 1408 1214 1575 -64 266 447 C ATOM 726 O LEU A 342 47.340 67.364 25.657 1.00 11.32 O ANISOU 726 O LEU A 342 1450 1207 1643 -52 257 458 O ATOM 727 CB LEU A 342 46.341 65.573 23.444 1.00 12.00 C ANISOU 727 CB LEU A 342 1569 1525 1465 -13 244 485 C ATOM 728 CG LEU A 342 46.945 66.344 22.273 1.00 15.71 C ANISOU 728 CG LEU A 342 2042 1992 1935 25 328 580 C ATOM 729 CD1 LEU A 342 47.962 65.483 21.539 1.00 17.70 C ANISOU 729 CD1 LEU A 342 2312 2257 2155 12 375 558 C ATOM 730 CD2 LEU A 342 45.849 66.784 21.344 1.00 19.52 C ANISOU 730 CD2 LEU A 342 2531 2577 2308 78 325 664 C ATOM 0 H LEU A 342 45.713 64.680 25.633 1.00 10.86 H new ATOM 0 HA LEU A 342 47.971 64.612 24.264 1.00 11.77 H new ATOM 0 HB2 LEU A 342 45.961 64.749 23.102 1.00 12.00 H new ATOM 0 HB3 LEU A 342 45.608 66.094 23.806 1.00 12.00 H new ATOM 0 HG LEU A 342 47.405 67.129 22.609 1.00 15.71 H new ATOM 0 HD11 LEU A 342 48.337 65.985 20.799 1.00 17.70 H new ATOM 0 HD12 LEU A 342 48.672 65.229 22.149 1.00 17.70 H new ATOM 0 HD13 LEU A 342 47.526 64.685 21.200 1.00 17.70 H new ATOM 0 HD21 LEU A 342 46.233 67.274 20.600 1.00 19.52 H new ATOM 0 HD22 LEU A 342 45.377 66.006 21.009 1.00 19.52 H new ATOM 0 HD23 LEU A 342 45.229 67.357 21.823 1.00 19.52 H new ATOM 742 N ALA A 343 49.284 66.568 24.852 1.00 11.01 N ANISOU 742 N ALA A 343 1377 1162 1644 -85 314 463 N ATOM 743 CA ALA A 343 50.033 67.766 25.178 1.00 12.15 C ANISOU 743 CA ALA A 343 1495 1206 1913 -111 353 494 C ATOM 744 C ALA A 343 49.414 68.978 24.487 1.00 15.73 C ANISOU 744 C ALA A 343 1974 1634 2369 -62 415 582 C ATOM 745 O ALA A 343 49.246 68.994 23.263 1.00 14.91 O ANISOU 745 O ALA A 343 1881 1587 2196 -9 467 659 O ATOM 746 CB ALA A 343 51.501 67.605 24.770 1.00 12.97 C ANISOU 746 CB ALA A 343 1550 1286 2092 -137 406 523 C ATOM 0 H ALA A 343 49.753 65.937 24.504 1.00 11.01 H new ATOM 0 HA ALA A 343 49.996 67.905 26.137 1.00 12.15 H new ATOM 0 HB1 ALA A 343 51.990 68.413 24.994 1.00 12.97 H new ATOM 0 HB2 ALA A 343 51.888 66.852 25.243 1.00 12.97 H new ATOM 0 HB3 ALA A 343 51.556 67.448 23.814 1.00 12.97 H new ATOM 752 N GLY A 344 49.056 69.982 25.280 1.00 12.84 N ANISOU 752 N GLY A 344 1623 1182 2074 -74 417 572 N ATOM 753 CA GLY A 344 48.548 71.239 24.753 1.00 13.88 C ANISOU 753 CA GLY A 344 1776 1273 2225 -18 485 649 C ATOM 754 C GLY A 344 47.045 71.302 24.534 1.00 13.35 C ANISOU 754 C GLY A 344 1733 1271 2067 59 477 702 C ATOM 755 O GLY A 344 46.501 72.368 24.206 1.00 15.82 O ANISOU 755 O GLY A 344 2054 1563 2394 119 526 758 O ATOM 0 H GLY A 344 49.101 69.952 26.138 1.00 12.84 H new ATOM 0 HA2 GLY A 344 48.800 71.951 25.361 1.00 13.88 H new ATOM 0 HA3 GLY A 344 48.989 71.418 23.908 1.00 13.88 H new ATOM 759 N GLY A 345 46.366 70.176 24.721 1.00 11.58 N ANISOU 759 N GLY A 345 1506 1150 1742 59 397 657 N ATOM 760 CA GLY A 345 44.926 70.124 24.538 1.00 14.77 C ANISOU 760 CA GLY A 345 1911 1645 2055 122 371 703 C ATOM 761 C GLY A 345 44.181 70.661 25.749 1.00 15.93 C ANISOU 761 C GLY A 345 2076 1722 2255 133 362 671 C ATOM 762 O GLY A 345 44.793 70.920 26.778 1.00 13.46 O ANISOU 762 O GLY A 345 1786 1301 2029 79 362 590 O ATOM 0 H GLY A 345 46.724 69.430 24.955 1.00 11.58 H new ATOM 0 HA2 GLY A 345 44.681 70.639 23.753 1.00 14.77 H new ATOM 0 HA3 GLY A 345 44.654 69.208 24.372 1.00 14.77 H new ATOM 766 N PRO A 346 42.858 70.850 25.630 1.00 12.99 N ANISOU 766 N PRO A 346 1691 1417 1827 203 359 739 N ATOM 767 CA PRO A 346 42.098 71.408 26.762 1.00 13.29 C ANISOU 767 CA PRO A 346 1752 1382 1917 231 375 721 C ATOM 768 C PRO A 346 42.257 70.630 28.073 1.00 16.32 C ANISOU 768 C PRO A 346 2155 1742 2306 162 305 582 C ATOM 769 O PRO A 346 42.391 71.251 29.130 1.00 17.72 O ANISOU 769 O PRO A 346 2378 1801 2553 147 334 527 O ATOM 770 CB PRO A 346 40.654 71.362 26.252 1.00 16.68 C ANISOU 770 CB PRO A 346 2133 1942 2263 313 361 820 C ATOM 771 CG PRO A 346 40.796 71.540 24.774 1.00 15.26 C ANISOU 771 CG PRO A 346 1917 1854 2026 340 374 893 C ATOM 772 CD PRO A 346 42.025 70.729 24.419 1.00 14.77 C ANISOU 772 CD PRO A 346 1877 1789 1945 266 351 847 C ATOM 0 HA PRO A 346 42.410 72.295 27.000 1.00 13.29 H new ATOM 0 HB2 PRO A 346 40.225 70.520 26.470 1.00 16.68 H new ATOM 0 HB3 PRO A 346 40.114 72.065 26.646 1.00 16.68 H new ATOM 0 HG2 PRO A 346 40.012 71.220 24.301 1.00 15.26 H new ATOM 0 HG3 PRO A 346 40.908 72.474 24.539 1.00 15.26 H new ATOM 0 HD2 PRO A 346 41.803 69.805 24.226 1.00 14.77 H new ATOM 0 HD3 PRO A 346 42.475 71.082 23.636 1.00 14.77 H new ATOM 780 N ALA A 347 42.235 69.302 28.016 1.00 12.54 N ANISOU 780 N ALA A 347 1648 1368 1749 121 220 528 N ATOM 781 CA ALA A 347 42.397 68.489 29.227 1.00 11.57 C ANISOU 781 CA ALA A 347 1538 1230 1627 66 159 415 C ATOM 782 C ALA A 347 43.768 68.722 29.872 1.00 14.53 C ANISOU 782 C ALA A 347 1939 1502 2080 -2 163 338 C ATOM 783 O ALA A 347 43.878 68.835 31.091 1.00 16.23 O ANISOU 783 O ALA A 347 2184 1659 2324 -31 144 265 O ATOM 784 CB ALA A 347 42.202 67.034 28.914 1.00 12.32 C ANISOU 784 CB ALA A 347 1602 1440 1638 35 89 382 C ATOM 0 H ALA A 347 42.128 68.850 27.292 1.00 12.54 H new ATOM 0 HA ALA A 347 41.718 68.762 29.863 1.00 11.57 H new ATOM 0 HB1 ALA A 347 42.312 66.511 29.724 1.00 12.32 H new ATOM 0 HB2 ALA A 347 41.310 66.896 28.559 1.00 12.32 H new ATOM 0 HB3 ALA A 347 42.858 66.753 28.257 1.00 12.32 H new ATOM 790 N ASP A 348 44.814 68.799 29.061 1.00 13.17 N ANISOU 790 N ASP A 348 1750 1317 1937 -29 186 360 N ATOM 791 CA ASP A 348 46.142 69.126 29.575 1.00 14.83 C ANISOU 791 CA ASP A 348 1962 1440 2234 -99 189 307 C ATOM 792 C ASP A 348 46.152 70.506 30.224 1.00 14.72 C ANISOU 792 C ASP A 348 1995 1297 2303 -110 243 295 C ATOM 793 O ASP A 348 46.678 70.687 31.328 1.00 18.59 O ANISOU 793 O ASP A 348 2506 1725 2832 -177 213 208 O ATOM 794 CB ASP A 348 47.176 69.067 28.454 1.00 10.50 C ANISOU 794 CB ASP A 348 1379 901 1711 -113 226 357 C ATOM 795 CG ASP A 348 48.594 69.361 28.939 1.00 12.59 C ANISOU 795 CG ASP A 348 1619 1091 2075 -193 226 317 C ATOM 796 OD1 ASP A 348 48.886 69.140 30.135 1.00 16.43 O ANISOU 796 OD1 ASP A 348 2105 1561 2578 -248 165 235 O ATOM 797 OD2 ASP A 348 49.411 69.807 28.115 1.00 14.48 O ANISOU 797 OD2 ASP A 348 1832 1298 2371 -203 285 374 O ATOM 0 H ASP A 348 44.780 68.666 28.212 1.00 13.17 H new ATOM 0 HA ASP A 348 46.372 68.469 30.251 1.00 14.83 H new ATOM 0 HB2 ASP A 348 47.154 68.187 28.046 1.00 10.50 H new ATOM 0 HB3 ASP A 348 46.936 69.706 27.764 1.00 10.50 H new ATOM 802 N LEU A 349 45.566 71.482 29.548 1.00 15.42 N ANISOU 802 N LEU A 349 2103 1343 2414 -46 326 383 N ATOM 803 CA LEU A 349 45.608 72.849 30.047 1.00 17.09 C ANISOU 803 CA LEU A 349 2373 1404 2718 -53 405 377 C ATOM 804 C LEU A 349 44.871 72.957 31.388 1.00 24.14 C ANISOU 804 C LEU A 349 3324 2257 3591 -51 388 296 C ATOM 805 O LEU A 349 45.182 73.834 32.190 1.00 26.31 O ANISOU 805 O LEU A 349 3655 2430 3912 -96 413 223 O ATOM 806 CB LEU A 349 45.037 73.811 29.006 1.00 18.96 C ANISOU 806 CB LEU A 349 2604 1645 2955 39 492 488 C ATOM 807 CG LEU A 349 45.836 73.902 27.694 1.00 26.49 C ANISOU 807 CG LEU A 349 3510 2636 3918 41 521 559 C ATOM 808 CD1 LEU A 349 45.393 75.081 26.855 1.00 30.15 C ANISOU 808 CD1 LEU A 349 3973 3084 4398 124 614 653 C ATOM 809 CD2 LEU A 349 47.327 73.987 27.927 1.00 23.93 C ANISOU 809 CD2 LEU A 349 3172 2253 3666 -63 505 490 C ATOM 0 H LEU A 349 45.143 71.378 28.806 1.00 15.42 H new ATOM 0 HA LEU A 349 46.532 73.099 30.204 1.00 17.09 H new ATOM 0 HB2 LEU A 349 44.130 73.539 28.798 1.00 18.96 H new ATOM 0 HB3 LEU A 349 44.984 74.696 29.399 1.00 18.96 H new ATOM 0 HG LEU A 349 45.651 73.079 27.215 1.00 26.49 H new ATOM 0 HD11 LEU A 349 45.914 75.111 26.037 1.00 30.15 H new ATOM 0 HD12 LEU A 349 44.453 74.987 26.636 1.00 30.15 H new ATOM 0 HD13 LEU A 349 45.528 75.902 27.354 1.00 30.15 H new ATOM 0 HD21 LEU A 349 47.785 74.042 27.074 1.00 23.93 H new ATOM 0 HD22 LEU A 349 47.528 74.777 28.453 1.00 23.93 H new ATOM 0 HD23 LEU A 349 47.626 73.197 28.403 1.00 23.93 H new ATOM 821 N ASER A 350 43.921 72.060 31.646 0.69 25.46 N ANISOU 821 N ASER A 350 3473 2532 3669 -3 333 295 N ATOM 822 N BSER A 350 43.917 72.061 31.621 0.31 25.16 N ANISOU 822 N BSER A 350 3434 2496 3631 -2 334 297 N ATOM 823 CA ASER A 350 43.222 72.055 32.934 0.69 24.59 C ANISOU 823 CA ASER A 350 3416 2395 3533 6 322 225 C ATOM 824 CA BSER A 350 43.210 72.003 32.896 0.31 24.44 C ANISOU 824 CA BSER A 350 3392 2383 3510 7 319 228 C ATOM 825 C ASER A 350 44.183 71.700 34.060 0.69 26.85 C ANISOU 825 C ASER A 350 3726 2657 3820 -98 251 95 C ATOM 826 C BSER A 350 44.177 71.699 34.036 0.31 26.47 C ANISOU 826 C BSER A 350 3676 2610 3771 -97 251 97 C ATOM 827 O ASER A 350 44.074 72.230 35.170 0.69 27.68 O ANISOU 827 O ASER A 350 3906 2682 3929 -122 267 16 O ATOM 828 O BSER A 350 44.075 72.271 35.123 0.31 27.70 O ANISOU 828 O BSER A 350 3908 2681 3935 -121 271 20 O ATOM 829 CB ASER A 350 42.051 71.066 32.940 0.69 17.53 C ANISOU 829 CB ASER A 350 2480 1631 2550 70 277 261 C ATOM 830 CB BSER A 350 42.111 70.940 32.849 0.31 19.17 C ANISOU 830 CB BSER A 350 2679 1851 2752 66 268 263 C ATOM 831 OG ASER A 350 42.485 69.745 33.250 0.69 17.23 O ANISOU 831 OG ASER A 350 2405 1683 2458 14 178 198 O ATOM 832 OG BSER A 350 41.408 70.874 34.074 0.31 16.42 O ANISOU 832 OG BSER A 350 2375 1485 2378 85 267 209 O ATOM 0 H ASER A 350 43.667 71.450 31.095 0.69 25.16 H new ATOM 0 H BSER A 350 43.662 71.473 31.048 0.31 25.16 H new ATOM 0 HA ASER A 350 42.870 72.948 33.072 0.69 24.44 H new ATOM 0 HA BSER A 350 42.804 72.870 33.056 0.31 24.44 H new ATOM 0 HB2ASER A 350 41.389 71.351 33.589 0.69 19.17 H new ATOM 0 HB2BSER A 350 41.493 71.142 32.129 0.31 19.17 H new ATOM 0 HB3ASER A 350 41.618 71.070 32.072 0.69 19.17 H new ATOM 0 HB3BSER A 350 42.503 70.075 32.651 0.31 19.17 H new ATOM 0 HG ASER A 350 42.930 69.438 32.607 0.69 16.42 H new ATOM 0 HG BSER A 350 41.366 70.075 34.331 0.31 16.42 H new ATOM 843 N GLY A 351 45.112 70.792 33.771 1.00 22.58 N ANISOU 843 N GLY A 351 3120 2191 3266 -156 175 78 N ATOM 844 CA GLY A 351 46.100 70.365 34.747 1.00 22.13 C ANISOU 844 CA GLY A 351 3059 2141 3207 -249 97 -18 C ATOM 845 C GLY A 351 45.528 69.504 35.867 1.00 23.48 C ANISOU 845 C GLY A 351 3247 2379 3295 -236 35 -74 C ATOM 846 O GLY A 351 46.191 69.278 36.879 1.00 27.92 O ANISOU 846 O GLY A 351 3818 2950 3839 -303 -27 -152 O ATOM 0 H AGLY A 351 45.184 70.409 33.004 0.69 22.58 H new ATOM 0 H BGLY A 351 45.189 70.404 33.008 0.31 22.58 H new ATOM 0 HA2 GLY A 351 46.797 69.867 34.292 1.00 22.13 H new ATOM 0 HA3 GLY A 351 46.518 71.149 35.135 1.00 22.13 H new ATOM 849 N GLU A 352 44.308 69.007 35.685 1.00 17.57 N ANISOU 849 N GLU A 352 2496 1688 2494 -152 50 -26 N ATOM 850 CA GLU A 352 43.610 68.323 36.768 1.00 14.56 C ANISOU 850 CA GLU A 352 2135 1353 2043 -129 15 -66 C ATOM 851 C GLU A 352 43.108 66.931 36.405 1.00 14.54 C ANISOU 851 C GLU A 352 2071 1465 1990 -97 -27 -25 C ATOM 852 O GLU A 352 42.326 66.339 37.145 1.00 17.51 O ANISOU 852 O GLU A 352 2456 1882 2316 -65 -40 -35 O ATOM 853 CB GLU A 352 42.435 69.166 37.234 1.00 16.89 C ANISOU 853 CB GLU A 352 2499 1587 2331 -61 92 -56 C ATOM 854 CG GLU A 352 42.837 70.535 37.757 1.00 22.79 C ANISOU 854 CG GLU A 352 3336 2196 3125 -97 151 -116 C ATOM 855 CD GLU A 352 41.684 71.527 37.761 1.00 42.41 C ANISOU 855 CD GLU A 352 5884 4597 5632 -5 269 -69 C ATOM 856 OE1 GLU A 352 41.928 72.721 37.475 1.00 49.97 O ANISOU 856 OE1 GLU A 352 6894 5430 6661 -11 352 -66 O ATOM 857 OE2 GLU A 352 40.540 71.119 38.057 1.00 33.35 O ANISOU 857 OE2 GLU A 352 4729 3503 4439 77 288 -28 O ATOM 0 H GLU A 352 43.869 69.055 34.947 1.00 17.57 H new ATOM 0 HA GLU A 352 44.265 68.208 37.475 1.00 14.56 H new ATOM 0 HB2 GLU A 352 41.815 69.279 36.496 1.00 16.89 H new ATOM 0 HB3 GLU A 352 41.961 68.688 37.932 1.00 16.89 H new ATOM 0 HG2 GLU A 352 43.182 70.443 38.659 1.00 22.79 H new ATOM 0 HG3 GLU A 352 43.558 70.886 37.211 1.00 22.79 H new ATOM 864 N LEU A 353 43.530 66.427 35.252 1.00 11.84 N ANISOU 864 N LEU A 353 1671 1167 1660 -106 -37 19 N ATOM 865 CA LEU A 353 43.236 65.050 34.860 1.00 10.46 C ANISOU 865 CA LEU A 353 1451 1085 1440 -98 -72 39 C ATOM 866 C LEU A 353 44.536 64.328 34.583 1.00 12.45 C ANISOU 866 C LEU A 353 1667 1353 1711 -146 -103 22 C ATOM 867 O LEU A 353 45.518 64.942 34.180 1.00 14.79 O ANISOU 867 O LEU A 353 1953 1610 2058 -177 -91 26 O ATOM 868 CB LEU A 353 42.347 64.995 33.616 1.00 12.07 C ANISOU 868 CB LEU A 353 1626 1338 1620 -58 -46 110 C ATOM 869 CG LEU A 353 40.931 65.537 33.755 1.00 13.08 C ANISOU 869 CG LEU A 353 1760 1478 1731 4 -14 158 C ATOM 870 CD1 LEU A 353 40.285 65.691 32.386 1.00 15.40 C ANISOU 870 CD1 LEU A 353 2013 1837 2002 36 3 244 C ATOM 871 CD2 LEU A 353 40.107 64.641 34.649 1.00 13.74 C ANISOU 871 CD2 LEU A 353 1836 1607 1776 14 -41 138 C ATOM 0 H LEU A 353 43.992 66.868 34.676 1.00 11.84 H new ATOM 0 HA LEU A 353 42.757 64.622 35.587 1.00 10.46 H new ATOM 0 HB2 LEU A 353 42.790 65.487 32.907 1.00 12.07 H new ATOM 0 HB3 LEU A 353 42.289 64.071 33.327 1.00 12.07 H new ATOM 0 HG LEU A 353 40.972 66.414 34.168 1.00 13.08 H new ATOM 0 HD11 LEU A 353 39.385 66.037 32.490 1.00 15.40 H new ATOM 0 HD12 LEU A 353 40.807 66.307 31.849 1.00 15.40 H new ATOM 0 HD13 LEU A 353 40.251 64.828 31.945 1.00 15.40 H new ATOM 0 HD21 LEU A 353 39.209 64.999 34.727 1.00 13.74 H new ATOM 0 HD22 LEU A 353 40.067 63.750 34.267 1.00 13.74 H new ATOM 0 HD23 LEU A 353 40.515 64.597 35.528 1.00 13.74 H new ATOM 883 N AARG A 354 44.537 63.013 34.775 0.60 10.73 N ANISOU 883 N AARG A 354 1426 1189 1461 -148 -132 12 N ATOM 884 N BARG A 354 44.547 63.023 34.806 0.40 10.91 N ANISOU 884 N BARG A 354 1450 1212 1485 -148 -132 11 N ATOM 885 CA AARG A 354 45.715 62.215 34.460 0.60 12.45 C ANISOU 885 CA AARG A 354 1607 1422 1701 -175 -141 13 C ATOM 886 CA BARG A 354 45.716 62.232 34.474 0.40 12.46 C ANISOU 886 CA BARG A 354 1608 1423 1702 -175 -142 12 C ATOM 887 C AARG A 354 45.347 60.818 33.961 0.60 8.78 C ANISOU 887 C AARG A 354 1133 1003 1202 -162 -131 22 C ATOM 888 C BARG A 354 45.321 60.848 34.008 0.40 9.08 C ANISOU 888 C BARG A 354 1171 1039 1239 -162 -133 21 C ATOM 889 O AARG A 354 44.235 60.330 34.178 0.60 8.06 O ANISOU 889 O AARG A 354 1055 938 1071 -147 -136 18 O ATOM 890 O BARG A 354 44.223 60.361 34.278 0.40 9.39 O ANISOU 890 O BARG A 354 1224 1105 1240 -147 -138 16 O ATOM 891 CB AARG A 354 46.626 62.107 35.684 0.60 18.42 C ANISOU 891 CB AARG A 354 2348 2176 2474 -202 -186 -18 C ATOM 892 CB BARG A 354 46.661 62.121 35.670 0.40 18.33 C ANISOU 892 CB BARG A 354 2336 2164 2464 -203 -185 -18 C ATOM 893 CG AARG A 354 46.120 61.197 36.781 0.60 21.50 C ANISOU 893 CG AARG A 354 2748 2603 2818 -181 -213 -33 C ATOM 894 CG BARG A 354 46.081 61.380 36.849 0.40 21.45 C ANISOU 894 CG BARG A 354 2746 2592 2811 -183 -215 -37 C ATOM 895 CD AARG A 354 47.125 61.136 37.933 0.60 26.14 C ANISOU 895 CD AARG A 354 3312 3212 3407 -207 -266 -51 C ATOM 896 CD BARG A 354 47.170 60.994 37.845 0.40 26.21 C ANISOU 896 CD BARG A 354 3316 3224 3419 -205 -263 -45 C ATOM 897 NE AARG A 354 47.089 62.336 38.772 0.60 29.29 N ANISOU 897 NE AARG A 354 3754 3583 3791 -239 -293 -101 N ATOM 898 NE BARG A 354 47.954 62.148 38.288 0.40 28.48 N ANISOU 898 NE BARG A 354 3603 3489 3729 -259 -298 -78 N ATOM 899 CZ AARG A 354 48.163 62.996 39.207 0.60 28.91 C ANISOU 899 CZ AARG A 354 3687 3531 3767 -301 -337 -128 C ATOM 900 CZ BARG A 354 49.276 62.275 38.171 0.40 28.85 C ANISOU 900 CZ BARG A 354 3589 3549 3826 -305 -325 -63 C ATOM 901 NH1AARG A 354 49.391 62.595 38.888 0.60 29.37 N ANISOU 901 NH1AARG A 354 3666 3623 3872 -329 -360 -92 N ATOM 902 NH1BARG A 354 49.865 63.375 38.618 0.40 33.34 N ANISOU 902 NH1BARG A 354 4162 4092 4414 -373 -360 -105 N ATOM 903 NH2AARG A 354 48.006 64.074 39.964 0.60 24.08 N ANISOU 903 NH2AARG A 354 3136 2880 3133 -339 -352 -191 N ATOM 904 NH2BARG A 354 50.018 61.320 37.619 0.40 22.51 N ANISOU 904 NH2BARG A 354 2719 2777 3055 -286 -309 -8 N ATOM 0 H AARG A 354 43.870 62.566 35.085 0.60 10.91 H new ATOM 0 H BARG A 354 43.893 62.580 35.146 0.40 10.91 H new ATOM 0 HA AARG A 354 46.186 62.669 33.744 0.60 12.46 H new ATOM 0 HA BARG A 354 46.177 62.686 33.751 0.40 12.46 H new ATOM 0 HB2AARG A 354 47.496 61.790 35.395 0.60 18.33 H new ATOM 0 HB2BARG A 354 47.473 61.673 35.387 0.40 18.33 H new ATOM 0 HB3AARG A 354 46.755 62.995 36.053 0.60 18.33 H new ATOM 0 HB3BARG A 354 46.913 63.013 35.954 0.40 18.33 H new ATOM 0 HG2AARG A 354 45.265 61.519 37.107 0.60 21.45 H new ATOM 0 HG2BARG A 354 45.418 61.935 37.289 0.40 21.45 H new ATOM 0 HG3AARG A 354 45.971 60.306 36.427 0.60 21.45 H new ATOM 0 HG3BARG A 354 45.624 60.582 36.540 0.40 21.45 H new ATOM 0 HD2AARG A 354 46.939 60.357 38.480 0.60 26.21 H new ATOM 0 HD2BARG A 354 46.764 60.567 38.615 0.40 26.21 H new ATOM 0 HD3AARG A 354 48.019 61.023 37.573 0.60 26.21 H new ATOM 0 HD3BARG A 354 47.761 60.342 37.438 0.40 26.21 H new ATOM 0 HE AARG A 354 46.317 62.638 39.001 0.60 28.48 H new ATOM 0 HE BARG A 354 47.526 62.798 38.654 0.40 28.48 H new ATOM 0 HH11AARG A 354 49.502 61.900 38.394 0.60 33.34 H new ATOM 0 HH11BARG A 354 49.395 63.998 38.979 0.40 33.34 H new ATOM 0 HH12AARG A 354 50.074 63.031 39.176 0.60 33.34 H new ATOM 0 HH12BARG A 354 50.717 63.466 38.547 0.40 33.34 H new ATOM 0 HH21AARG A 354 47.216 64.343 40.171 0.60 22.51 H new ATOM 0 HH21BARG A 354 49.647 60.601 37.328 0.40 22.51 H new ATOM 0 HH22AARG A 354 48.695 64.504 40.248 0.60 22.51 H new ATOM 0 HH22BARG A 354 50.869 61.421 37.553 0.40 22.51 H new ATOM 931 N ALYS A 355 46.289 60.174 33.281 0.60 10.15 N ANISOU 931 N ALYS A 355 1284 1177 1395 -172 -108 34 N ATOM 932 N BLYS A 355 46.243 60.219 33.301 0.40 9.82 N ANISOU 932 N BLYS A 355 1243 1135 1353 -172 -109 33 N ATOM 933 CA ALYS A 355 46.102 58.783 32.889 0.60 10.40 C ANISOU 933 CA ALYS A 355 1323 1228 1402 -167 -83 28 C ATOM 934 CA BLYS A 355 46.107 58.826 32.931 0.40 10.37 C ANISOU 934 CA BLYS A 355 1318 1224 1399 -167 -85 29 C ATOM 935 C ALYS A 355 45.813 57.959 34.132 0.60 9.35 C ANISOU 935 C ALYS A 355 1188 1102 1263 -157 -105 15 C ATOM 936 C BLYS A 355 45.796 57.979 34.158 0.40 9.44 C ANISOU 936 C BLYS A 355 1199 1113 1274 -156 -106 15 C ATOM 937 O ALYS A 355 46.492 58.102 35.151 0.60 9.85 O ANISOU 937 O ALYS A 355 1229 1165 1350 -151 -134 20 O ATOM 938 O BLYS A 355 46.444 58.123 35.196 0.40 9.96 O ANISOU 938 O BLYS A 355 1244 1179 1362 -151 -136 19 O ATOM 939 CB ALYS A 355 47.338 58.234 32.169 0.60 12.33 C ANISOU 939 CB ALYS A 355 1549 1456 1679 -166 -36 47 C ATOM 940 CB BLYS A 355 47.393 58.358 32.270 0.40 12.58 C ANISOU 940 CB BLYS A 355 1578 1488 1716 -167 -41 48 C ATOM 941 CG ALYS A 355 47.171 56.794 31.722 0.60 12.90 C ANISOU 941 CG ALYS A 355 1649 1524 1727 -162 13 32 C ATOM 942 CG BLYS A 355 47.396 56.918 31.921 0.40 12.10 C ANISOU 942 CG BLYS A 355 1536 1421 1639 -159 7 38 C ATOM 943 CD ALYS A 355 48.382 56.260 30.974 0.60 14.54 C ANISOU 943 CD ALYS A 355 1851 1706 1969 -146 84 55 C ATOM 944 CD BLYS A 355 48.682 56.565 31.216 0.40 16.47 C ANISOU 944 CD BLYS A 355 2073 1951 2233 -143 71 68 C ATOM 945 CE ALYS A 355 49.498 55.864 31.920 0.60 10.93 C ANISOU 945 CE ALYS A 355 1335 1238 1580 -118 87 95 C ATOM 946 CE BLYS A 355 48.448 55.441 30.257 0.40 24.92 C ANISOU 946 CE BLYS A 355 3201 3002 3264 -144 145 41 C ATOM 947 NZ ALYS A 355 50.660 55.269 31.192 0.60 12.47 N ANISOU 947 NZ ALYS A 355 1514 1406 1819 -87 175 135 N ATOM 948 NZ BLYS A 355 49.363 55.429 29.086 0.40 25.14 N ANISOU 948 NZ BLYS A 355 3240 3012 3299 -129 223 62 N ATOM 0 H ALYS A 355 47.038 60.521 33.039 0.60 9.82 H new ATOM 0 H BLYS A 355 46.967 60.590 33.022 0.40 9.82 H new ATOM 0 HA ALYS A 355 45.356 58.729 32.271 0.60 10.37 H new ATOM 0 HA BLYS A 355 45.372 58.728 32.306 0.40 10.37 H new ATOM 0 HB2ALYS A 355 47.528 58.788 31.396 0.60 12.58 H new ATOM 0 HB2BLYS A 355 47.540 58.878 31.464 0.40 12.58 H new ATOM 0 HB3ALYS A 355 48.105 58.298 32.759 0.60 12.58 H new ATOM 0 HB3BLYS A 355 48.137 58.540 32.865 0.40 12.58 H new ATOM 0 HG2ALYS A 355 47.005 56.237 32.498 0.60 12.10 H new ATOM 0 HG2BLYS A 355 47.300 56.382 32.724 0.40 12.10 H new ATOM 0 HG3ALYS A 355 46.389 56.726 31.152 0.60 12.10 H new ATOM 0 HG3BLYS A 355 46.638 56.713 31.351 0.40 12.10 H new ATOM 0 HD2ALYS A 355 48.121 55.492 30.442 0.60 16.47 H new ATOM 0 HD2BLYS A 355 49.023 57.339 30.741 0.40 16.47 H new ATOM 0 HD3ALYS A 355 48.705 56.935 30.357 0.60 16.47 H new ATOM 0 HD3BLYS A 355 49.356 56.311 31.865 0.40 16.47 H new ATOM 0 HE2ALYS A 355 49.793 56.643 32.417 0.60 24.92 H new ATOM 0 HE2BLYS A 355 48.539 54.601 30.733 0.40 24.92 H new ATOM 0 HE3ALYS A 355 49.161 55.225 32.568 0.60 24.92 H new ATOM 0 HE3BLYS A 355 47.533 55.488 29.938 0.40 24.92 H new ATOM 0 HZ1ALYS A 355 51.328 55.129 31.763 0.60 25.14 H new ATOM 0 HZ1BLYS A 355 48.895 55.568 28.342 0.40 25.14 H new ATOM 0 HZ2ALYS A 355 50.416 54.495 30.825 0.60 25.14 H new ATOM 0 HZ2BLYS A 355 49.971 56.072 29.178 0.40 25.14 H new ATOM 0 HZ3ALYS A 355 50.928 55.828 30.553 0.60 25.14 H new ATOM 0 HZ3BLYS A 355 49.771 54.640 29.036 0.40 25.14 H new ATOM 975 N GLY A 356 44.802 57.103 34.043 1.00 8.55 N ANISOU 975 N GLY A 356 1107 1013 1127 -159 -93 3 N ATOM 976 CA GLY A 356 44.389 56.275 35.167 1.00 10.31 C ANISOU 976 CA GLY A 356 1331 1238 1347 -144 -99 1 C ATOM 977 C GLY A 356 43.181 56.796 35.925 1.00 9.65 C ANISOU 977 C GLY A 356 1256 1176 1235 -134 -127 -1 C ATOM 978 O GLY A 356 42.611 56.091 36.767 1.00 9.64 O ANISOU 978 O GLY A 356 1257 1181 1226 -121 -122 4 O ATOM 0 H AGLY A 356 44.337 56.986 33.329 0.60 8.55 H new ATOM 0 H BGLY A 356 44.354 56.974 33.320 0.40 8.55 H new ATOM 0 HA2 GLY A 356 44.192 55.383 34.841 1.00 10.31 H new ATOM 0 HA3 GLY A 356 45.133 56.193 35.784 1.00 10.31 H new ATOM 982 N ASP A 357 42.786 58.028 35.630 1.00 7.70 N ANISOU 982 N ASP A 357 1012 935 977 -132 -143 1 N ATOM 983 CA ASP A 357 41.532 58.566 36.127 1.00 6.65 C ANISOU 983 CA ASP A 357 886 820 821 -111 -149 11 C ATOM 984 C ASP A 357 40.343 57.838 35.519 1.00 10.09 C ANISOU 984 C ASP A 357 1303 1294 1236 -129 -140 24 C ATOM 985 O ASP A 357 40.278 57.649 34.303 1.00 9.92 O ANISOU 985 O ASP A 357 1274 1295 1199 -161 -137 23 O ATOM 986 CB ASP A 357 41.406 60.058 35.811 1.00 7.23 C ANISOU 986 CB ASP A 357 968 878 899 -96 -148 23 C ATOM 987 CG ASP A 357 42.113 60.952 36.815 1.00 12.35 C ANISOU 987 CG ASP A 357 1647 1483 1563 -88 -158 -3 C ATOM 988 OD1 ASP A 357 42.379 60.531 37.966 1.00 9.34 O ANISOU 988 OD1 ASP A 357 1277 1106 1167 -85 -177 -25 O ATOM 989 OD2 ASP A 357 42.390 62.114 36.447 1.00 10.89 O ANISOU 989 OD2 ASP A 357 1476 1261 1401 -90 -146 -2 O ATOM 0 H ASP A 357 43.236 58.572 35.139 1.00 7.70 H new ATOM 0 HA ASP A 357 41.533 58.438 37.089 1.00 6.65 H new ATOM 0 HB2 ASP A 357 41.769 60.226 34.927 1.00 7.23 H new ATOM 0 HB3 ASP A 357 40.466 60.297 35.782 1.00 7.23 H new ATOM 994 N GLN A 358 39.394 57.448 36.362 1.00 7.08 N ANISOU 994 N GLN A 358 913 928 848 -113 -134 37 N ATOM 995 CA GLN A 358 38.097 56.988 35.890 1.00 6.61 C ANISOU 995 CA GLN A 358 820 916 775 -138 -133 58 C ATOM 996 C GLN A 358 37.167 58.187 35.746 1.00 8.11 C ANISOU 996 C GLN A 358 984 1143 955 -100 -136 105 C ATOM 997 O GLN A 358 37.092 59.034 36.634 1.00 9.64 O ANISOU 997 O GLN A 358 1198 1308 1155 -45 -119 118 O ATOM 998 CB GLN A 358 37.479 55.966 36.843 1.00 9.22 C ANISOU 998 CB GLN A 358 1141 1244 1118 -139 -112 65 C ATOM 999 CG GLN A 358 36.192 55.355 36.300 1.00 10.64 C ANISOU 999 CG GLN A 358 1273 1475 1296 -189 -114 84 C ATOM 1000 CD GLN A 358 35.509 54.394 37.260 1.00 10.17 C ANISOU 1000 CD GLN A 358 1197 1404 1263 -192 -82 102 C ATOM 1001 OE1 GLN A 358 36.042 54.052 38.318 1.00 13.40 O ANISOU 1001 OE1 GLN A 358 1639 1769 1684 -150 -54 103 O ATOM 1002 NE2 GLN A 358 34.322 53.940 36.880 1.00 13.17 N ANISOU 1002 NE2 GLN A 358 1521 1833 1651 -245 -86 123 N ATOM 0 H GLN A 358 39.484 57.443 37.217 1.00 7.08 H new ATOM 0 HA GLN A 358 38.221 56.552 35.032 1.00 6.61 H new ATOM 0 HB2 GLN A 358 38.121 55.259 37.013 1.00 9.22 H new ATOM 0 HB3 GLN A 358 37.295 56.393 37.694 1.00 9.22 H new ATOM 0 HG2 GLN A 358 35.574 56.069 36.078 1.00 10.64 H new ATOM 0 HG3 GLN A 358 36.391 54.886 35.475 1.00 10.64 H new ATOM 0 HE21 GLN A 358 33.980 54.200 36.135 1.00 13.17 H new ATOM 0 HE22 GLN A 358 33.894 53.385 37.379 1.00 13.17 H new ATOM 1011 N AILE A 359 36.471 58.252 34.617 0.56 8.53 N ANISOU 1011 N AILE A 359 995 1259 986 -129 -153 134 N ATOM 1012 N BILE A 359 36.460 58.251 34.626 0.44 8.60 N ANISOU 1012 N BILE A 359 1004 1268 995 -129 -153 134 N ATOM 1013 CA AILE A 359 35.447 59.263 34.408 0.56 9.80 C ANISOU 1013 CA AILE A 359 1112 1471 1141 -84 -150 206 C ATOM 1014 CA BILE A 359 35.455 59.282 34.430 0.44 9.63 C ANISOU 1014 CA BILE A 359 1091 1447 1119 -82 -149 206 C ATOM 1015 C AILE A 359 34.158 58.762 35.046 0.56 9.62 C ANISOU 1015 C AILE A 359 1034 1493 1128 -80 -142 246 C ATOM 1016 C BILE A 359 34.146 58.790 35.029 0.44 9.80 C ANISOU 1016 C BILE A 359 1056 1517 1151 -79 -142 247 C ATOM 1017 O AILE A 359 33.525 57.858 34.518 0.56 12.19 O ANISOU 1017 O AILE A 359 1310 1881 1441 -148 -170 247 O ATOM 1018 O BILE A 359 33.488 57.929 34.458 0.44 11.17 O ANISOU 1018 O BILE A 359 1177 1756 1309 -146 -171 252 O ATOM 1019 CB AILE A 359 35.231 59.563 32.916 0.56 8.71 C ANISOU 1019 CB AILE A 359 938 1409 964 -111 -179 239 C ATOM 1020 CB BILE A 359 35.288 59.636 32.949 0.44 9.08 C ANISOU 1020 CB BILE A 359 988 1450 1013 -107 -177 239 C ATOM 1021 CG1AILE A 359 36.551 59.929 32.226 0.56 10.78 C ANISOU 1021 CG1AILE A 359 1253 1624 1219 -118 -175 204 C ATOM 1022 CG1BILE A 359 36.618 60.135 32.377 0.44 10.53 C ANISOU 1022 CG1BILE A 359 1226 1579 1195 -104 -168 207 C ATOM 1023 CG2AILE A 359 34.214 60.675 32.745 0.56 11.31 C ANISOU 1023 CG2AILE A 359 1210 1792 1293 -44 -167 339 C ATOM 1024 CG2BILE A 359 34.198 60.685 32.776 0.44 11.21 C ANISOU 1024 CG2BILE A 359 1198 1779 1282 -42 -166 339 C ATOM 1025 CD1AILE A 359 37.240 61.156 32.788 0.56 13.22 C ANISOU 1025 CD1AILE A 359 1602 1851 1569 -54 -138 213 C ATOM 1026 CD1BILE A 359 36.589 60.394 30.898 0.44 7.43 C ANISOU 1026 CD1BILE A 359 813 1257 751 -125 -187 239 C ATOM 0 H AILE A 359 36.579 57.714 33.955 0.56 8.60 H new ATOM 0 H BILE A 359 36.548 57.706 33.967 0.44 8.60 H new ATOM 0 HA AILE A 359 35.731 60.095 34.818 0.56 9.63 H new ATOM 0 HA BILE A 359 35.737 60.096 34.875 0.44 9.63 H new ATOM 0 HB AILE A 359 34.889 58.759 32.494 0.56 9.08 H new ATOM 0 HB BILE A 359 35.022 58.840 32.462 0.44 9.08 H new ATOM 0 HG12AILE A 359 37.157 59.174 32.292 0.56 10.53 H new ATOM 0 HG12BILE A 359 36.869 60.953 32.834 0.44 10.53 H new ATOM 0 HG13AILE A 359 36.379 60.073 31.282 0.56 10.53 H new ATOM 0 HG13BILE A 359 37.307 59.480 32.568 0.44 10.53 H new ATOM 0 HG21AILE A 359 34.087 60.855 31.800 0.56 11.21 H new ATOM 0 HG21BILE A 359 34.102 60.900 31.835 0.44 11.21 H new ATOM 0 HG22AILE A 359 33.370 60.405 33.139 0.56 11.21 H new ATOM 0 HG22BILE A 359 33.358 60.338 33.115 0.44 11.21 H new ATOM 0 HG23AILE A 359 34.534 61.477 33.186 0.56 11.21 H new ATOM 0 HG23BILE A 359 34.438 61.486 33.268 0.44 11.21 H new ATOM 0 HD11AILE A 359 38.062 61.318 32.299 0.56 7.43 H new ATOM 0 HD11BILE A 359 37.460 60.706 30.607 0.44 7.43 H new ATOM 0 HD12AILE A 359 36.655 61.925 32.700 0.56 7.43 H new ATOM 0 HD12BILE A 359 36.366 59.574 30.430 0.44 7.43 H new ATOM 0 HD13AILE A 359 37.444 61.012 33.725 0.56 7.43 H new ATOM 0 HD13BILE A 359 35.922 61.070 30.701 0.44 7.43 H new ATOM 1049 N LEU A 360 33.767 59.347 36.173 1.00 9.88 N ANISOU 1049 N LEU A 360 1078 1493 1183 -6 -99 276 N ATOM 1050 CA LEU A 360 32.543 58.931 36.848 1.00 10.27 C ANISOU 1050 CA LEU A 360 1071 1581 1248 11 -76 328 C ATOM 1051 C LEU A 360 31.313 59.550 36.217 1.00 9.20 C ANISOU 1051 C LEU A 360 843 1537 1117 39 -76 428 C ATOM 1052 O LEU A 360 30.264 58.918 36.171 1.00 12.47 O ANISOU 1052 O LEU A 360 1170 2026 1542 7 -87 476 O ATOM 1053 CB LEU A 360 32.580 59.302 38.330 1.00 11.89 C ANISOU 1053 CB LEU A 360 1332 1721 1463 89 -17 325 C ATOM 1054 CG LEU A 360 33.797 58.780 39.095 1.00 11.06 C ANISOU 1054 CG LEU A 360 1309 1548 1346 72 -23 245 C ATOM 1055 CD1 LEU A 360 33.667 59.131 40.576 1.00 11.31 C ANISOU 1055 CD1 LEU A 360 1395 1540 1363 145 29 246 C ATOM 1056 CD2 LEU A 360 33.996 57.288 38.895 1.00 14.39 C ANISOU 1056 CD2 LEU A 360 1710 1980 1776 -2 -47 217 C ATOM 0 H ALEU A 360 34.194 59.984 36.562 0.56 9.88 H new ATOM 0 H BLEU A 360 34.205 59.968 36.576 0.44 9.88 H new ATOM 0 HA LEU A 360 32.490 57.967 36.755 1.00 10.27 H new ATOM 0 HB2 LEU A 360 32.555 60.268 38.409 1.00 11.89 H new ATOM 0 HB3 LEU A 360 31.777 58.962 38.755 1.00 11.89 H new ATOM 0 HG LEU A 360 34.588 59.214 38.739 1.00 11.06 H new ATOM 0 HD11 LEU A 360 34.441 58.798 41.057 1.00 11.31 H new ATOM 0 HD12 LEU A 360 33.614 60.094 40.677 1.00 11.31 H new ATOM 0 HD13 LEU A 360 32.863 58.724 40.936 1.00 11.31 H new ATOM 0 HD21 LEU A 360 34.775 56.995 39.394 1.00 14.39 H new ATOM 0 HD22 LEU A 360 33.212 56.812 39.211 1.00 14.39 H new ATOM 0 HD23 LEU A 360 34.128 57.103 37.952 1.00 14.39 H new ATOM 1068 N SER A 361 31.427 60.790 35.758 1.00 10.26 N ANISOU 1068 N SER A 361 986 1666 1247 101 -59 470 N ATOM 1069 CA SER A 361 30.291 61.455 35.121 1.00 11.28 C ANISOU 1069 CA SER A 361 1016 1889 1380 147 -53 590 C ATOM 1070 C SER A 361 30.716 62.642 34.275 1.00 13.43 C ANISOU 1070 C SER A 361 1308 2152 1643 196 -41 629 C ATOM 1071 O SER A 361 31.804 63.187 34.460 1.00 12.32 O ANISOU 1071 O SER A 361 1266 1907 1510 212 -16 565 O ATOM 1072 CB SER A 361 29.287 61.913 36.176 1.00 13.30 C ANISOU 1072 CB SER A 361 1243 2134 1677 244 27 669 C ATOM 1073 OG SER A 361 29.805 62.964 36.981 1.00 12.56 O ANISOU 1073 OG SER A 361 1254 1920 1599 334 108 647 O ATOM 0 H SER A 361 32.144 61.262 35.803 1.00 10.26 H new ATOM 0 HA SER A 361 29.878 60.805 34.531 1.00 11.28 H new ATOM 0 HB2 SER A 361 28.474 62.211 35.740 1.00 13.30 H new ATOM 0 HB3 SER A 361 29.047 61.162 36.741 1.00 13.30 H new ATOM 0 HG SER A 361 29.710 63.696 36.581 1.00 12.56 H new ATOM 1079 N AVAL A 362 29.865 63.022 33.325 0.64 13.62 N ANISOU 1079 N AVAL A 362 1231 2292 1651 217 -62 741 N ATOM 1080 N BVAL A 362 29.838 63.036 33.358 0.36 13.06 N ANISOU 1080 N BVAL A 362 1159 2221 1582 220 -59 743 N ATOM 1081 CA AVAL A 362 30.079 64.233 32.529 0.64 13.17 C ANISOU 1081 CA AVAL A 362 1186 2225 1593 278 -26 798 C ATOM 1082 CA BVAL A 362 30.046 64.218 32.529 0.36 13.43 C ANISOU 1082 CA BVAL A 362 1216 2260 1625 277 -27 799 C ATOM 1083 C AVAL A 362 28.779 65.030 32.516 0.64 13.26 C ANISOU 1083 C AVAL A 362 1120 2285 1635 353 44 910 C ATOM 1084 C BVAL A 362 28.760 65.031 32.525 0.36 13.72 C ANISOU 1084 C BVAL A 362 1176 2342 1693 354 45 912 C ATOM 1085 O AVAL A 362 27.726 64.514 32.133 0.64 16.49 O ANISOU 1085 O AVAL A 362 1428 2813 2023 310 11 963 O ATOM 1086 O BVAL A 362 27.702 64.533 32.133 0.36 15.55 O ANISOU 1086 O BVAL A 362 1308 2696 1906 312 12 966 O ATOM 1087 CB AVAL A 362 30.568 63.915 31.083 0.64 16.05 C ANISOU 1087 CB AVAL A 362 1540 2667 1892 195 -100 772 C ATOM 1088 CB BVAL A 362 30.468 63.847 31.092 0.36 15.88 C ANISOU 1088 CB BVAL A 362 1511 2654 1870 192 -103 774 C ATOM 1089 CG1AVAL A 362 29.541 63.118 30.300 0.64 16.51 C ANISOU 1089 CG1AVAL A 362 1501 2869 1902 112 -161 792 C ATOM 1090 CG1BVAL A 362 30.672 65.106 30.253 0.36 17.72 C ANISOU 1090 CG1BVAL A 362 1752 2875 2105 259 -55 838 C ATOM 1091 CG2AVAL A 362 30.912 65.203 30.340 0.64 20.21 C ANISOU 1091 CG2AVAL A 362 2088 3164 2427 266 -47 829 C ATOM 1092 CG2BVAL A 362 31.737 63.030 31.110 0.36 11.80 C ANISOU 1092 CG2BVAL A 362 1076 2081 1327 112 -150 654 C ATOM 0 H AVAL A 362 29.150 62.589 33.123 0.64 13.06 H new ATOM 0 H BVAL A 362 29.101 62.623 33.199 0.36 13.06 H new ATOM 0 HA AVAL A 362 30.787 64.758 32.935 0.64 13.43 H new ATOM 0 HA BVAL A 362 30.772 64.743 32.901 0.36 13.43 H new ATOM 0 HB AVAL A 362 31.366 63.370 31.162 0.64 15.88 H new ATOM 0 HB BVAL A 362 29.759 63.317 30.694 0.36 15.88 H new ATOM 0 HG11AVAL A 362 29.880 62.940 29.409 0.64 17.72 H new ATOM 0 HG11BVAL A 362 30.937 64.856 29.354 0.36 17.72 H new ATOM 0 HG12AVAL A 362 29.369 62.278 30.753 0.64 17.72 H new ATOM 0 HG12BVAL A 362 29.844 65.609 30.218 0.36 17.72 H new ATOM 0 HG13AVAL A 362 28.717 63.626 30.237 0.64 17.72 H new ATOM 0 HG13BVAL A 362 31.366 65.653 30.654 0.36 17.72 H new ATOM 0 HG21AVAL A 362 31.214 64.989 29.443 0.64 11.80 H new ATOM 0 HG21BVAL A 362 31.990 62.804 30.201 0.36 11.80 H new ATOM 0 HG22AVAL A 362 30.125 65.768 30.289 0.64 11.80 H new ATOM 0 HG22BVAL A 362 32.447 63.544 31.525 0.36 11.80 H new ATOM 0 HG23AVAL A 362 31.616 65.672 30.814 0.64 11.80 H new ATOM 0 HG23BVAL A 362 31.591 62.215 31.616 0.36 11.80 H new ATOM 1111 N ASN A 363 28.858 66.286 32.956 1.00 13.71 N ANISOU 1111 N ASN A 363 1229 2240 1739 459 149 947 N ATOM 1112 CA ASN A 363 27.695 67.166 33.044 1.00 13.64 C ANISOU 1112 CA ASN A 363 1160 2259 1764 545 243 1059 C ATOM 1113 C ASN A 363 26.516 66.474 33.748 1.00 17.68 C ANISOU 1113 C ASN A 363 1594 2839 2284 538 249 1104 C ATOM 1114 O ASN A 363 25.361 66.617 33.350 1.00 18.92 O ANISOU 1114 O ASN A 363 1649 3101 2440 550 266 1215 O ATOM 1115 CB ASN A 363 27.296 67.652 31.649 1.00 17.79 C ANISOU 1115 CB ASN A 363 1603 2895 2261 542 228 1147 C ATOM 1116 CG ASN A 363 28.344 68.544 31.038 1.00 20.99 C ANISOU 1116 CG ASN A 363 2083 3220 2673 573 255 1127 C ATOM 1117 OD1 ASN A 363 29.323 68.893 31.694 1.00 20.50 O ANISOU 1117 OD1 ASN A 363 2135 3010 2643 593 293 1051 O ATOM 1118 ND2 ASN A 363 28.147 68.929 29.779 1.00 24.05 N ANISOU 1118 ND2 ASN A 363 2406 3703 3028 573 240 1199 N ATOM 0 H AASN A 363 29.592 66.652 33.213 0.64 13.71 H new ATOM 0 H BASN A 363 29.596 66.650 33.205 0.36 13.71 H new ATOM 0 HA ASN A 363 27.937 67.936 33.582 1.00 13.64 H new ATOM 0 HB2 ASN A 363 27.148 66.887 31.072 1.00 17.79 H new ATOM 0 HB3 ASN A 363 26.456 68.133 31.704 1.00 17.79 H new ATOM 0 HD21 ASN A 363 28.718 69.443 29.392 1.00 24.05 H new ATOM 0 HD22 ASN A 363 27.449 68.664 29.352 1.00 24.05 H new ATOM 1124 N GLY A 364 26.820 65.731 34.806 1.00 16.98 N ANISOU 1124 N GLY A 364 1556 2691 2206 521 239 1029 N ATOM 1125 CA GLY A 364 25.789 65.101 35.615 1.00 20.64 C ANISOU 1125 CA GLY A 364 1960 3197 2687 524 262 1073 C ATOM 1126 C GLY A 364 25.354 63.729 35.124 1.00 20.25 C ANISOU 1126 C GLY A 364 1816 3271 2608 401 148 1068 C ATOM 1127 O GLY A 364 24.598 63.025 35.802 1.00 24.95 O ANISOU 1127 O GLY A 364 2364 3895 3223 386 156 1094 O ATOM 0 H GLY A 364 27.624 65.580 35.072 1.00 16.98 H new ATOM 0 HA2 GLY A 364 26.113 65.018 36.525 1.00 20.64 H new ATOM 0 HA3 GLY A 364 25.014 65.683 35.642 1.00 20.64 H new ATOM 1131 N VAL A 365 25.826 63.352 33.942 1.00 17.08 N ANISOU 1131 N VAL A 365 1398 2934 2156 310 51 1028 N ATOM 1132 CA VAL A 365 25.515 62.046 33.364 1.00 20.64 C ANISOU 1132 CA VAL A 365 1790 3484 2568 174 -54 991 C ATOM 1133 C VAL A 365 26.489 60.981 33.881 1.00 18.43 C ANISOU 1133 C VAL A 365 1573 3142 2288 103 -100 865 C ATOM 1134 O VAL A 365 27.686 61.013 33.568 1.00 17.22 O ANISOU 1134 O VAL A 365 1497 2937 2109 85 -129 786 O ATOM 1135 CB VAL A 365 25.546 62.113 31.828 1.00 23.22 C ANISOU 1135 CB VAL A 365 2088 3908 2827 107 -124 995 C ATOM 1136 CG1 VAL A 365 25.262 60.742 31.218 1.00 29.79 C ANISOU 1136 CG1 VAL A 365 2889 4821 3611 -43 -223 930 C ATOM 1137 CG2 VAL A 365 24.542 63.156 31.319 1.00 26.50 C ANISOU 1137 CG2 VAL A 365 2424 4400 3244 181 -75 1137 C ATOM 0 H VAL A 365 26.334 63.843 33.452 1.00 17.08 H new ATOM 0 HA VAL A 365 24.619 61.796 33.639 1.00 20.64 H new ATOM 0 HB VAL A 365 26.435 62.383 31.551 1.00 23.22 H new ATOM 0 HG11 VAL A 365 25.286 60.807 30.250 1.00 29.79 H new ATOM 0 HG12 VAL A 365 25.934 60.109 31.516 1.00 29.79 H new ATOM 0 HG13 VAL A 365 24.385 60.438 31.499 1.00 29.79 H new ATOM 0 HG21 VAL A 365 24.572 63.188 30.350 1.00 26.50 H new ATOM 0 HG22 VAL A 365 23.648 62.913 31.607 1.00 26.50 H new ATOM 0 HG23 VAL A 365 24.771 64.028 31.678 1.00 26.50 H new ATOM 1147 N ASP A 366 25.961 60.049 34.672 1.00 18.40 N ANISOU 1147 N ASP A 366 1534 3142 2317 65 -97 858 N ATOM 1148 CA ASP A 366 26.727 58.954 35.272 1.00 17.77 C ANISOU 1148 CA ASP A 366 1495 3007 2250 -3 -120 755 C ATOM 1149 C ASP A 366 27.308 58.041 34.181 1.00 18.97 C ANISOU 1149 C ASP A 366 1676 3185 2347 -146 -208 653 C ATOM 1150 O ASP A 366 26.569 57.468 33.370 1.00 16.50 O ANISOU 1150 O ASP A 366 1319 2946 2004 -236 -256 651 O ATOM 1151 CB ASP A 366 25.805 58.180 36.238 1.00 16.43 C ANISOU 1151 CB ASP A 366 1270 2840 2133 -15 -79 789 C ATOM 1152 CG ASP A 366 26.469 56.983 36.910 1.00 14.00 C ANISOU 1152 CG ASP A 366 1034 2446 1840 -86 -72 683 C ATOM 1153 OD1 ASP A 366 27.704 56.817 36.868 1.00 16.49 O ANISOU 1153 OD1 ASP A 366 1467 2674 2125 -104 -83 578 O ATOM 1154 OD2 ASP A 366 25.712 56.183 37.511 1.00 19.97 O ANISOU 1154 OD2 ASP A 366 1728 3217 2642 -120 -45 715 O ATOM 0 H ASP A 366 25.127 60.034 34.881 1.00 18.40 H new ATOM 0 HA ASP A 366 27.479 59.307 35.772 1.00 17.77 H new ATOM 0 HB2 ASP A 366 25.488 58.788 36.924 1.00 16.43 H new ATOM 0 HB3 ASP A 366 25.026 57.873 35.749 1.00 16.43 H new ATOM 1159 N LEU A 367 28.632 57.915 34.160 1.00 13.57 N ANISOU 1159 N LEU A 367 1105 2409 1644 -160 -211 551 N ATOM 1160 CA LEU A 367 29.299 57.069 33.173 1.00 11.45 C ANISOU 1160 CA LEU A 367 876 2150 1325 -280 -272 454 C ATOM 1161 C LEU A 367 30.003 55.875 33.799 1.00 15.25 C ANISOU 1161 C LEU A 367 1438 2523 1832 -339 -246 349 C ATOM 1162 O LEU A 367 30.745 55.174 33.124 1.00 13.11 O ANISOU 1162 O LEU A 367 1227 2224 1530 -419 -269 261 O ATOM 1163 CB LEU A 367 30.322 57.876 32.363 1.00 12.36 C ANISOU 1163 CB LEU A 367 1059 2243 1393 -246 -283 430 C ATOM 1164 CG LEU A 367 29.817 59.053 31.523 1.00 15.56 C ANISOU 1164 CG LEU A 367 1411 2735 1768 -184 -292 530 C ATOM 1165 CD1 LEU A 367 30.974 59.665 30.767 1.00 18.96 C ANISOU 1165 CD1 LEU A 367 1914 3131 2159 -164 -296 500 C ATOM 1166 CD2 LEU A 367 28.711 58.641 30.552 1.00 14.41 C ANISOU 1166 CD2 LEU A 367 1197 2699 1579 -257 -330 557 C ATOM 0 H LEU A 367 29.163 58.311 34.709 1.00 13.57 H new ATOM 0 HA LEU A 367 28.598 56.736 32.591 1.00 11.45 H new ATOM 0 HB2 LEU A 367 30.986 58.218 32.982 1.00 12.36 H new ATOM 0 HB3 LEU A 367 30.779 57.262 31.767 1.00 12.36 H new ATOM 0 HG LEU A 367 29.434 59.706 32.129 1.00 15.56 H new ATOM 0 HD11 LEU A 367 30.655 60.411 30.235 1.00 18.96 H new ATOM 0 HD12 LEU A 367 31.642 59.980 31.396 1.00 18.96 H new ATOM 0 HD13 LEU A 367 31.369 58.998 30.184 1.00 18.96 H new ATOM 0 HD21 LEU A 367 28.422 59.415 30.043 1.00 14.41 H new ATOM 0 HD22 LEU A 367 29.048 57.963 29.946 1.00 14.41 H new ATOM 0 HD23 LEU A 367 27.959 58.284 31.050 1.00 14.41 H new ATOM 1178 N ARG A 368 29.780 55.630 35.083 1.00 14.91 N ANISOU 1178 N ARG A 368 1403 2419 1845 -290 -188 366 N ATOM 1179 CA ARG A 368 30.448 54.512 35.741 1.00 14.49 C ANISOU 1179 CA ARG A 368 1421 2266 1818 -327 -154 290 C ATOM 1180 C ARG A 368 30.216 53.199 35.004 1.00 16.21 C ANISOU 1180 C ARG A 368 1624 2500 2035 -471 -182 231 C ATOM 1181 O ARG A 368 31.116 52.366 34.929 1.00 19.78 O ANISOU 1181 O ARG A 368 2159 2867 2491 -514 -160 150 O ATOM 1182 CB ARG A 368 29.980 54.401 37.189 1.00 12.92 C ANISOU 1182 CB ARG A 368 1214 2026 1667 -256 -87 340 C ATOM 1183 CG ARG A 368 30.535 55.511 38.079 1.00 11.79 C ANISOU 1183 CG ARG A 368 1136 1832 1512 -128 -48 356 C ATOM 1184 CD ARG A 368 29.915 55.465 39.461 1.00 13.94 C ANISOU 1184 CD ARG A 368 1402 2083 1811 -53 23 410 C ATOM 1185 NE ARG A 368 28.461 55.467 39.364 1.00 14.18 N ANISOU 1185 NE ARG A 368 1315 2196 1877 -59 35 503 N ATOM 1186 CZ ARG A 368 27.637 54.819 40.181 1.00 13.10 C ANISOU 1186 CZ ARG A 368 1130 2064 1783 -54 89 556 C ATOM 1187 NH1 ARG A 368 28.103 54.112 41.199 1.00 13.58 N ANISOU 1187 NH1 ARG A 368 1260 2050 1851 -35 139 529 N ATOM 1188 NH2 ARG A 368 26.335 54.889 39.971 1.00 17.30 N ANISOU 1188 NH2 ARG A 368 1535 2684 2353 -65 94 650 N ATOM 0 H ARG A 368 29.255 56.089 35.586 1.00 14.91 H new ATOM 0 HA ARG A 368 31.402 54.687 35.726 1.00 14.49 H new ATOM 0 HB2 ARG A 368 29.011 54.427 37.214 1.00 12.92 H new ATOM 0 HB3 ARG A 368 30.250 53.541 37.546 1.00 12.92 H new ATOM 0 HG2 ARG A 368 31.498 55.421 38.150 1.00 11.79 H new ATOM 0 HG3 ARG A 368 30.360 56.374 37.672 1.00 11.79 H new ATOM 0 HD2 ARG A 368 30.213 54.670 39.930 1.00 13.94 H new ATOM 0 HD3 ARG A 368 30.212 56.228 39.981 1.00 13.94 H new ATOM 0 HE ARG A 368 28.108 55.924 38.727 1.00 14.18 H new ATOM 0 HH11 ARG A 368 28.950 54.067 41.339 1.00 13.58 H new ATOM 0 HH12 ARG A 368 27.558 53.698 41.720 1.00 13.58 H new ATOM 0 HH21 ARG A 368 26.030 55.350 39.312 1.00 17.30 H new ATOM 0 HH22 ARG A 368 25.792 54.474 40.493 1.00 17.30 H new ATOM 1202 N ASN A 369 29.025 53.027 34.436 1.00 13.57 N ANISOU 1202 N ASN A 369 1183 2274 1697 -549 -227 273 N ATOM 1203 CA ASN A 369 28.672 51.778 33.774 1.00 14.90 C ANISOU 1203 CA ASN A 369 1371 2427 1861 -669 -240 197 C ATOM 1204 C ASN A 369 28.423 51.960 32.284 1.00 15.79 C ANISOU 1204 C ASN A 369 1487 2622 1893 -717 -306 168 C ATOM 1205 O ASN A 369 27.726 51.171 31.656 1.00 18.37 O ANISOU 1205 O ASN A 369 1796 2978 2207 -809 -331 132 O ATOM 1206 CB ASN A 369 27.454 51.178 34.476 1.00 19.86 C ANISOU 1206 CB ASN A 369 1917 3070 2558 -695 -215 248 C ATOM 1207 CG ASN A 369 27.741 50.879 35.942 1.00 25.99 C ANISOU 1207 CG ASN A 369 2704 3763 3410 -645 -132 283 C ATOM 1208 OD1 ASN A 369 27.263 51.573 36.847 1.00 30.00 O ANISOU 1208 OD1 ASN A 369 3154 4300 3947 -548 -97 383 O ATOM 1209 ND2 ASN A 369 28.563 49.865 36.178 1.00 23.81 N ANISOU 1209 ND2 ASN A 369 2514 3373 3159 -693 -85 209 N ATOM 0 H ASN A 369 28.406 53.624 34.424 1.00 13.57 H new ATOM 0 HA ASN A 369 29.423 51.167 33.843 1.00 14.90 H new ATOM 0 HB2 ASN A 369 26.707 51.793 34.411 1.00 19.86 H new ATOM 0 HB3 ASN A 369 27.189 50.361 34.024 1.00 19.86 H new ATOM 0 HD21 ASN A 369 28.783 49.669 36.986 1.00 23.81 H new ATOM 0 HD22 ASN A 369 28.876 49.404 35.523 1.00 23.81 H new ATOM 1216 N ALA A 370 29.022 52.996 31.717 1.00 15.76 N ANISOU 1216 N ALA A 370 1504 2653 1832 -656 -329 187 N ATOM 1217 CA ALA A 370 28.836 53.321 30.312 1.00 15.61 C ANISOU 1217 CA ALA A 370 1483 2719 1728 -686 -379 182 C ATOM 1218 C ALA A 370 29.597 52.377 29.384 1.00 18.14 C ANISOU 1218 C ALA A 370 1904 2987 2000 -772 -377 62 C ATOM 1219 O ALA A 370 30.607 51.794 29.770 1.00 16.16 O ANISOU 1219 O ALA A 370 1739 2624 1779 -775 -329 -9 O ATOM 1220 CB ALA A 370 29.279 54.752 30.052 1.00 12.05 C ANISOU 1220 CB ALA A 370 1025 2306 1246 -584 -385 251 C ATOM 0 H ALA A 370 29.549 53.531 32.136 1.00 15.76 H new ATOM 0 HA ALA A 370 27.891 53.219 30.119 1.00 15.61 H new ATOM 0 HB1 ALA A 370 29.153 54.964 29.114 1.00 12.05 H new ATOM 0 HB2 ALA A 370 28.750 55.358 30.594 1.00 12.05 H new ATOM 0 HB3 ALA A 370 30.217 54.848 30.282 1.00 12.05 H new ATOM 1226 N SER A 371 29.108 52.238 28.157 1.00 19.01 N ANISOU 1226 N SER A 371 2003 3183 2036 -837 -423 46 N ATOM 1227 CA SER A 371 29.900 51.641 27.091 1.00 20.97 C ANISOU 1227 CA SER A 371 2350 3400 2219 -897 -416 -53 C ATOM 1228 C SER A 371 30.875 52.673 26.546 1.00 21.67 C ANISOU 1228 C SER A 371 2476 3499 2259 -821 -411 -31 C ATOM 1229 O SER A 371 30.678 53.878 26.711 1.00 18.30 O ANISOU 1229 O SER A 371 1987 3132 1834 -736 -428 66 O ATOM 1230 CB SER A 371 29.013 51.127 25.962 1.00 28.47 C ANISOU 1230 CB SER A 371 3275 4448 3096 -1003 -470 -80 C ATOM 1231 OG SER A 371 28.321 52.200 25.342 1.00 28.73 O ANISOU 1231 OG SER A 371 3219 4624 3071 -968 -528 19 O ATOM 0 H SER A 371 28.318 52.484 27.921 1.00 19.01 H new ATOM 0 HA SER A 371 30.386 50.887 27.459 1.00 20.97 H new ATOM 0 HB2 SER A 371 29.554 50.662 25.305 1.00 28.47 H new ATOM 0 HB3 SER A 371 28.376 50.484 26.311 1.00 28.47 H new ATOM 0 HG SER A 371 28.353 52.109 24.508 1.00 28.73 H new ATOM 1237 N ALA A 372 31.917 52.199 25.875 1.00 22.72 N ANISOU 1237 N ALA A 372 2710 3570 2351 -847 -379 -116 N ATOM 1238 CA ALA A 372 32.935 53.090 25.339 1.00 25.74 C ANISOU 1238 CA ALA A 372 3133 3954 2694 -780 -368 -99 C ATOM 1239 C ALA A 372 32.355 54.044 24.289 1.00 20.26 C ANISOU 1239 C ALA A 372 2378 3400 1920 -763 -423 -26 C ATOM 1240 O ALA A 372 32.697 55.224 24.287 1.00 20.40 O ANISOU 1240 O ALA A 372 2371 3441 1938 -674 -422 51 O ATOM 1241 CB ALA A 372 34.077 52.286 24.751 1.00 33.68 C ANISOU 1241 CB ALA A 372 4255 4872 3670 -817 -314 -201 C ATOM 0 H ALA A 372 32.053 51.364 25.719 1.00 22.72 H new ATOM 0 HA ALA A 372 33.272 53.630 26.071 1.00 25.74 H new ATOM 0 HB1 ALA A 372 34.749 52.889 24.397 1.00 33.68 H new ATOM 0 HB2 ALA A 372 34.472 51.732 25.442 1.00 33.68 H new ATOM 0 HB3 ALA A 372 33.742 51.722 24.037 1.00 33.68 H new ATOM 1247 N GLU A 373 31.476 53.557 23.409 1.00 25.81 N ANISOU 1247 N GLU A 373 3056 4194 2557 -847 -468 -43 N ATOM 1248 CA GLU A 373 30.932 54.436 22.371 1.00 25.11 C ANISOU 1248 CA GLU A 373 2906 4248 2387 -829 -521 34 C ATOM 1249 C GLU A 373 30.001 55.490 22.953 1.00 18.93 C ANISOU 1249 C GLU A 373 2002 3541 1650 -752 -542 171 C ATOM 1250 O GLU A 373 30.078 56.656 22.562 1.00 23.69 O ANISOU 1250 O GLU A 373 2567 4202 2232 -667 -544 263 O ATOM 1251 CB GLU A 373 30.182 53.662 21.284 1.00 33.32 C ANISOU 1251 CB GLU A 373 3943 5383 3335 -946 -574 -16 C ATOM 1252 CG GLU A 373 29.648 54.608 20.194 1.00 44.93 C ANISOU 1252 CG GLU A 373 5345 7014 4714 -921 -630 75 C ATOM 1253 CD GLU A 373 28.907 53.907 19.071 1.00 60.21 C ANISOU 1253 CD GLU A 373 7273 9062 6541 -1042 -696 26 C ATOM 1254 OE1 GLU A 373 28.699 54.549 18.019 1.00 58.23 O ANISOU 1254 OE1 GLU A 373 6991 8939 6195 -1027 -739 82 O ATOM 1255 OE2 GLU A 373 28.524 52.730 19.238 1.00 69.23 O ANISOU 1255 OE2 GLU A 373 8441 10169 7693 -1152 -705 -66 O ATOM 0 H GLU A 373 31.189 52.746 23.394 1.00 25.81 H new ATOM 0 HA GLU A 373 31.701 54.871 21.970 1.00 25.11 H new ATOM 0 HB2 GLU A 373 30.774 53.006 20.884 1.00 33.32 H new ATOM 0 HB3 GLU A 373 29.444 53.174 21.682 1.00 33.32 H new ATOM 0 HG2 GLU A 373 29.054 55.256 20.605 1.00 44.93 H new ATOM 0 HG3 GLU A 373 30.392 55.104 19.817 1.00 44.93 H new ATOM 1262 N GLN A 374 29.111 55.104 23.866 1.00 20.13 N ANISOU 1262 N GLN A 374 2092 3690 1867 -773 -550 192 N ATOM 1263 CA GLN A 374 28.176 56.080 24.421 1.00 21.35 C ANISOU 1263 CA GLN A 374 2132 3915 2065 -694 -556 329 C ATOM 1264 C GLN A 374 28.924 57.061 25.308 1.00 15.88 C ANISOU 1264 C GLN A 374 1457 3137 1441 -569 -501 379 C ATOM 1265 O GLN A 374 28.552 58.228 25.382 1.00 18.01 O ANISOU 1265 O GLN A 374 1662 3453 1728 -474 -486 495 O ATOM 1266 CB GLN A 374 27.047 55.418 25.219 1.00 26.43 C ANISOU 1266 CB GLN A 374 2704 4574 2763 -743 -571 345 C ATOM 1267 CG GLN A 374 25.923 54.802 24.394 1.00 29.36 C ANISOU 1267 CG GLN A 374 3012 5070 3075 -852 -638 345 C ATOM 1268 CD GLN A 374 25.287 55.750 23.384 1.00 30.60 C ANISOU 1268 CD GLN A 374 3084 5385 3158 -822 -681 455 C ATOM 1269 OE1 GLN A 374 24.899 56.878 23.704 1.00 24.76 O ANISOU 1269 OE1 GLN A 374 2268 4688 2451 -713 -657 587 O ATOM 1270 NE2 GLN A 374 25.163 55.282 22.155 1.00 28.50 N ANISOU 1270 NE2 GLN A 374 2832 5206 2789 -918 -738 402 N ATOM 0 H GLN A 374 29.032 54.304 24.171 1.00 20.13 H new ATOM 0 HA GLN A 374 27.769 56.548 23.675 1.00 21.35 H new ATOM 0 HB2 GLN A 374 27.432 54.725 25.778 1.00 26.43 H new ATOM 0 HB3 GLN A 374 26.663 56.081 25.814 1.00 26.43 H new ATOM 0 HG2 GLN A 374 26.270 54.030 23.921 1.00 29.36 H new ATOM 0 HG3 GLN A 374 25.234 54.480 24.996 1.00 29.36 H new ATOM 0 HE21 GLN A 374 25.444 54.492 21.965 1.00 28.50 H new ATOM 0 HE22 GLN A 374 24.801 55.768 21.544 1.00 28.50 H new ATOM 1279 N ALA A 375 29.967 56.594 25.996 1.00 16.77 N ANISOU 1279 N ALA A 375 1656 3121 1595 -569 -464 294 N ATOM 1280 CA ALA A 375 30.813 57.490 26.779 1.00 15.91 C ANISOU 1280 CA ALA A 375 1573 2933 1540 -465 -421 327 C ATOM 1281 C ALA A 375 31.408 58.563 25.875 1.00 16.08 C ANISOU 1281 C ALA A 375 1610 2984 1517 -401 -414 375 C ATOM 1282 O ALA A 375 31.419 59.751 26.209 1.00 15.37 O ANISOU 1282 O ALA A 375 1489 2886 1464 -296 -385 467 O ATOM 1283 CB ALA A 375 31.925 56.713 27.478 1.00 16.05 C ANISOU 1283 CB ALA A 375 1682 2823 1594 -491 -391 224 C ATOM 0 H ALA A 375 30.199 55.766 26.021 1.00 16.77 H new ATOM 0 HA ALA A 375 30.266 57.914 27.459 1.00 15.91 H new ATOM 0 HB1 ALA A 375 32.474 57.326 27.992 1.00 16.05 H new ATOM 0 HB2 ALA A 375 31.535 56.053 28.072 1.00 16.05 H new ATOM 0 HB3 ALA A 375 32.474 56.266 26.815 1.00 16.05 H new ATOM 1289 N ALA A 376 31.908 58.131 24.729 1.00 15.29 N ANISOU 1289 N ALA A 376 1563 2909 1338 -459 -431 314 N ATOM 1290 CA ALA A 376 32.554 59.045 23.798 1.00 14.76 C ANISOU 1290 CA ALA A 376 1518 2869 1222 -402 -420 357 C ATOM 1291 C ALA A 376 31.535 60.035 23.260 1.00 14.31 C ANISOU 1291 C ALA A 376 1363 2928 1147 -346 -435 484 C ATOM 1292 O ALA A 376 31.816 61.222 23.131 1.00 19.13 O ANISOU 1292 O ALA A 376 1960 3532 1776 -246 -399 571 O ATOM 1293 CB ALA A 376 33.205 58.278 22.684 1.00 15.81 C ANISOU 1293 CB ALA A 376 1730 3011 1267 -478 -430 264 C ATOM 0 H ALA A 376 31.884 57.311 24.469 1.00 15.29 H new ATOM 0 HA ALA A 376 33.246 59.540 24.263 1.00 14.76 H new ATOM 0 HB1 ALA A 376 33.632 58.897 22.071 1.00 15.81 H new ATOM 0 HB2 ALA A 376 33.871 57.676 23.051 1.00 15.81 H new ATOM 0 HB3 ALA A 376 32.533 57.764 22.209 1.00 15.81 H new ATOM 1299 N ILE A 377 30.336 59.547 22.961 1.00 19.26 N ANISOU 1299 N ILE A 377 1919 3657 1742 -409 -481 500 N ATOM 1300 CA ILE A 377 29.268 60.408 22.478 1.00 16.82 C ANISOU 1300 CA ILE A 377 1502 3473 1416 -360 -494 631 C ATOM 1301 C ILE A 377 28.940 61.444 23.543 1.00 17.17 C ANISOU 1301 C ILE A 377 1494 3470 1560 -242 -435 737 C ATOM 1302 O ILE A 377 28.792 62.631 23.239 1.00 20.56 O ANISOU 1302 O ILE A 377 1881 3930 2002 -143 -396 848 O ATOM 1303 CB ILE A 377 28.025 59.576 22.096 1.00 22.36 C ANISOU 1303 CB ILE A 377 2134 4295 2069 -463 -559 628 C ATOM 1304 CG1 ILE A 377 28.310 58.782 20.823 1.00 27.61 C ANISOU 1304 CG1 ILE A 377 2854 5018 2619 -568 -612 535 C ATOM 1305 CG2 ILE A 377 26.791 60.468 21.912 1.00 28.73 C ANISOU 1305 CG2 ILE A 377 2808 5230 2878 -404 -564 785 C ATOM 1306 CD1 ILE A 377 27.285 57.715 20.527 1.00 32.85 C ANISOU 1306 CD1 ILE A 377 3476 5769 3236 -697 -678 491 C ATOM 0 H ILE A 377 30.122 58.717 23.032 1.00 19.26 H new ATOM 0 HA ILE A 377 29.561 60.868 21.676 1.00 16.82 H new ATOM 0 HB ILE A 377 27.833 58.960 22.820 1.00 22.36 H new ATOM 0 HG12 ILE A 377 28.352 59.395 20.072 1.00 27.61 H new ATOM 0 HG13 ILE A 377 29.183 58.367 20.900 1.00 27.61 H new ATOM 0 HG21 ILE A 377 26.028 59.919 21.673 1.00 28.73 H new ATOM 0 HG22 ILE A 377 26.605 60.938 22.740 1.00 28.73 H new ATOM 0 HG23 ILE A 377 26.959 61.112 21.206 1.00 28.73 H new ATOM 0 HD11 ILE A 377 27.526 57.252 19.709 1.00 32.85 H new ATOM 0 HD12 ILE A 377 27.256 57.081 21.261 1.00 32.85 H new ATOM 0 HD13 ILE A 377 26.412 58.125 20.420 1.00 32.85 H new ATOM 1318 N ALA A 378 28.828 60.990 24.791 1.00 17.91 N ANISOU 1318 N ALA A 378 1595 3484 1725 -249 -418 703 N ATOM 1319 CA ALA A 378 28.513 61.872 25.903 1.00 18.01 C ANISOU 1319 CA ALA A 378 1573 3440 1830 -139 -354 789 C ATOM 1320 C ALA A 378 29.541 62.982 26.032 1.00 16.61 C ANISOU 1320 C ALA A 378 1455 3166 1690 -35 -293 812 C ATOM 1321 O ALA A 378 29.191 64.148 26.224 1.00 19.83 O ANISOU 1321 O ALA A 378 1827 3562 2146 72 -228 916 O ATOM 1322 CB ALA A 378 28.436 61.090 27.190 1.00 21.03 C ANISOU 1322 CB ALA A 378 1972 3747 2271 -168 -349 732 C ATOM 0 H ALA A 378 28.933 60.165 25.012 1.00 17.91 H new ATOM 0 HA ALA A 378 27.649 62.276 25.725 1.00 18.01 H new ATOM 0 HB1 ALA A 378 28.225 61.691 27.922 1.00 21.03 H new ATOM 0 HB2 ALA A 378 27.744 60.414 27.117 1.00 21.03 H new ATOM 0 HB3 ALA A 378 29.289 60.661 27.360 1.00 21.03 H new ATOM 1328 N LEU A 379 30.813 62.612 25.922 1.00 14.08 N ANISOU 1328 N LEU A 379 1231 2769 1351 -68 -303 715 N ATOM 1329 CA LEU A 379 31.902 63.567 26.023 1.00 13.45 C ANISOU 1329 CA LEU A 379 1217 2590 1305 14 -248 731 C ATOM 1330 C LEU A 379 31.941 64.524 24.835 1.00 13.34 C ANISOU 1330 C LEU A 379 1182 2630 1255 67 -225 813 C ATOM 1331 O LEU A 379 32.066 65.728 25.017 1.00 17.48 O ANISOU 1331 O LEU A 379 1709 3095 1839 169 -153 891 O ATOM 1332 CB LEU A 379 33.230 62.824 26.155 1.00 13.28 C ANISOU 1332 CB LEU A 379 1293 2490 1264 -46 -265 618 C ATOM 1333 CG LEU A 379 33.411 62.162 27.526 1.00 14.15 C ANISOU 1333 CG LEU A 379 1429 2520 1427 -68 -268 555 C ATOM 1334 CD1 LEU A 379 34.459 61.073 27.506 1.00 14.21 C ANISOU 1334 CD1 LEU A 379 1514 2478 1408 -155 -289 433 C ATOM 1335 CD2 LEU A 379 33.793 63.205 28.566 1.00 14.44 C ANISOU 1335 CD2 LEU A 379 1499 2439 1548 33 -199 595 C ATOM 0 H LEU A 379 31.065 61.801 25.787 1.00 14.08 H new ATOM 0 HA LEU A 379 31.751 64.105 26.816 1.00 13.45 H new ATOM 0 HB2 LEU A 379 33.286 62.146 25.464 1.00 13.28 H new ATOM 0 HB3 LEU A 379 33.959 63.445 26.002 1.00 13.28 H new ATOM 0 HG LEU A 379 32.562 61.754 27.756 1.00 14.15 H new ATOM 0 HD11 LEU A 379 34.539 60.684 28.391 1.00 14.21 H new ATOM 0 HD12 LEU A 379 34.199 60.385 26.873 1.00 14.21 H new ATOM 0 HD13 LEU A 379 35.312 61.450 27.241 1.00 14.21 H new ATOM 0 HD21 LEU A 379 33.905 62.776 29.429 1.00 14.44 H new ATOM 0 HD22 LEU A 379 34.625 63.631 28.307 1.00 14.44 H new ATOM 0 HD23 LEU A 379 33.093 63.874 28.626 1.00 14.44 H new ATOM 1347 N LYS A 380 31.838 63.989 23.626 1.00 14.36 N ANISOU 1347 N LYS A 380 1300 2865 1290 -1 -279 792 N ATOM 1348 CA LYS A 380 31.901 64.813 22.424 1.00 16.55 C ANISOU 1348 CA LYS A 380 1559 3208 1521 48 -263 871 C ATOM 1349 C LYS A 380 30.722 65.788 22.319 1.00 16.43 C ANISOU 1349 C LYS A 380 1436 3270 1536 130 -229 1011 C ATOM 1350 O LYS A 380 30.847 66.859 21.722 1.00 21.00 O ANISOU 1350 O LYS A 380 2000 3856 2122 215 -176 1103 O ATOM 1351 CB LYS A 380 31.944 63.925 21.183 1.00 18.66 C ANISOU 1351 CB LYS A 380 1842 3582 1667 -49 -332 811 C ATOM 1352 CG LYS A 380 33.251 63.186 21.007 1.00 19.08 C ANISOU 1352 CG LYS A 380 2009 3559 1683 -106 -336 693 C ATOM 1353 CD LYS A 380 33.211 62.287 19.807 1.00 24.85 C ANISOU 1353 CD LYS A 380 2769 4383 2291 -200 -391 625 C ATOM 1354 CE LYS A 380 34.580 61.741 19.496 1.00 30.93 C ANISOU 1354 CE LYS A 380 3658 5074 3022 -232 -365 528 C ATOM 1355 NZ LYS A 380 34.529 60.878 18.289 1.00 33.01 N ANISOU 1355 NZ LYS A 380 3964 5418 3159 -317 -406 455 N ATOM 0 H LYS A 380 31.731 63.149 23.478 1.00 14.36 H new ATOM 0 HA LYS A 380 32.712 65.342 22.483 1.00 16.55 H new ATOM 0 HB2 LYS A 380 31.221 63.280 21.232 1.00 18.66 H new ATOM 0 HB3 LYS A 380 31.783 64.472 20.398 1.00 18.66 H new ATOM 0 HG2 LYS A 380 33.975 63.824 20.912 1.00 19.08 H new ATOM 0 HG3 LYS A 380 33.438 62.661 21.801 1.00 19.08 H new ATOM 0 HD2 LYS A 380 32.596 61.555 19.968 1.00 24.85 H new ATOM 0 HD3 LYS A 380 32.873 62.778 19.042 1.00 24.85 H new ATOM 0 HE2 LYS A 380 35.202 62.472 19.353 1.00 30.93 H new ATOM 0 HE3 LYS A 380 34.911 61.231 20.252 1.00 30.93 H new ATOM 0 HZ1 LYS A 380 35.326 60.504 18.157 1.00 33.01 H new ATOM 0 HZ2 LYS A 380 33.918 60.241 18.405 1.00 33.01 H new ATOM 0 HZ3 LYS A 380 34.312 61.371 17.580 1.00 33.01 H new ATOM 1369 N ASN A 381 29.580 65.419 22.898 1.00 17.72 N ANISOU 1369 N ASN A 381 1524 3489 1719 106 -249 1036 N ATOM 1370 CA ASN A 381 28.379 66.251 22.814 1.00 22.17 C ANISOU 1370 CA ASN A 381 1977 4140 2308 180 -210 1179 C ATOM 1371 C ASN A 381 28.062 67.004 24.109 1.00 19.89 C ANISOU 1371 C ASN A 381 1680 3744 2132 278 -117 1233 C ATOM 1372 O ASN A 381 26.928 67.447 24.311 1.00 24.00 O ANISOU 1372 O ASN A 381 2109 4330 2681 327 -78 1343 O ATOM 1373 CB ASN A 381 27.181 65.385 22.427 1.00 24.19 C ANISOU 1373 CB ASN A 381 2142 4553 2497 87 -290 1194 C ATOM 1374 CG ASN A 381 27.256 64.904 20.995 1.00 36.78 C ANISOU 1374 CG ASN A 381 3732 6274 3969 8 -369 1168 C ATOM 1375 OD1 ASN A 381 27.606 63.754 20.729 1.00 43.12 O ANISOU 1375 OD1 ASN A 381 4592 7081 4710 -108 -438 1043 O ATOM 1376 ND2 ASN A 381 26.935 65.793 20.058 1.00 46.63 N ANISOU 1376 ND2 ASN A 381 4917 7622 5178 73 -351 1286 N ATOM 0 H ASN A 381 29.479 64.691 23.344 1.00 17.72 H new ATOM 0 HA ASN A 381 28.557 66.922 22.136 1.00 22.17 H new ATOM 0 HB2 ASN A 381 27.133 64.619 23.021 1.00 24.19 H new ATOM 0 HB3 ASN A 381 26.364 65.893 22.553 1.00 24.19 H new ATOM 0 HD21 ASN A 381 26.968 65.573 19.227 1.00 46.63 H new ATOM 0 HD22 ASN A 381 26.695 66.588 20.283 1.00 46.63 H new ATOM 1383 N ALA A 382 29.049 67.154 24.986 1.00 20.11 N ANISOU 1383 N ALA A 382 2097 3597 1948 733 -182 984 N ATOM 1384 CA ALA A 382 28.800 67.711 26.313 1.00 21.96 C ANISOU 1384 CA ALA A 382 2316 3768 2260 778 -94 1013 C ATOM 1385 C ALA A 382 28.717 69.230 26.285 1.00 24.76 C ANISOU 1385 C ALA A 382 2785 4027 2596 926 -17 1069 C ATOM 1386 O ALA A 382 28.363 69.856 27.282 1.00 27.91 O ANISOU 1386 O ALA A 382 3189 4378 3036 998 51 1087 O ATOM 1387 CB ALA A 382 29.881 67.268 27.293 1.00 20.59 C ANISOU 1387 CB ALA A 382 2199 3466 2158 671 -38 976 C ATOM 0 H ALA A 382 29.868 66.940 24.834 1.00 20.11 H new ATOM 0 HA ALA A 382 27.941 67.371 26.609 1.00 21.96 H new ATOM 0 HB1 ALA A 382 29.700 67.647 28.168 1.00 20.59 H new ATOM 0 HB2 ALA A 382 29.885 66.300 27.355 1.00 20.59 H new ATOM 0 HB3 ALA A 382 30.747 67.575 26.981 1.00 20.59 H new ATOM 1393 N GLY A 383 29.041 69.827 25.147 1.00 25.57 N ANISOU 1393 N GLY A 383 2987 4097 2630 977 -23 1097 N ATOM 1394 CA GLY A 383 28.958 71.266 25.019 1.00 25.65 C ANISOU 1394 CA GLY A 383 3111 4010 2624 1112 48 1158 C ATOM 1395 C GLY A 383 30.289 71.923 25.282 1.00 24.81 C ANISOU 1395 C GLY A 383 3169 3685 2572 1061 135 1156 C ATOM 1396 O GLY A 383 31.300 71.246 25.458 1.00 22.13 O ANISOU 1396 O GLY A 383 2851 3285 2274 927 138 1110 O ATOM 0 H GLY A 383 29.310 69.416 24.441 1.00 25.57 H new ATOM 0 HA2 GLY A 383 28.654 71.495 24.127 1.00 25.65 H new ATOM 0 HA3 GLY A 383 28.298 71.610 25.641 1.00 25.65 H new ATOM 1400 N GLN A 384 30.289 73.250 25.317 1.00 24.66 N ANISOU 1400 N GLN A 384 3263 3548 2559 1164 203 1207 N ATOM 1401 CA GLN A 384 31.534 74.000 25.390 1.00 22.07 C ANISOU 1401 CA GLN A 384 3089 3007 2290 1108 279 1216 C ATOM 1402 C GLN A 384 32.135 73.931 26.791 1.00 22.80 C ANISOU 1402 C GLN A 384 3205 2972 2484 1026 304 1149 C ATOM 1403 O GLN A 384 33.353 73.934 26.949 1.00 25.74 O ANISOU 1403 O GLN A 384 3649 3209 2923 911 332 1124 O ATOM 1404 CB GLN A 384 31.289 75.448 24.961 1.00 26.14 C ANISOU 1404 CB GLN A 384 3722 3428 2783 1242 339 1296 C ATOM 1405 CG GLN A 384 30.628 75.544 23.589 1.00 29.25 C ANISOU 1405 CG GLN A 384 4098 3958 3059 1350 310 1366 C ATOM 1406 CD GLN A 384 29.985 76.894 23.333 1.00 35.38 C ANISOU 1406 CD GLN A 384 4962 4683 3797 1525 360 1447 C ATOM 1407 OE1 GLN A 384 30.639 77.825 22.865 1.00 40.77 O ANISOU 1407 OE1 GLN A 384 5786 5213 4491 1542 435 1510 O ATOM 1408 NE2 GLN A 384 28.690 77.004 23.634 1.00 33.12 N ANISOU 1408 NE2 GLN A 384 4589 4526 3468 1657 325 1453 N ATOM 0 H GLN A 384 29.579 73.734 25.299 1.00 24.66 H new ATOM 0 HA GLN A 384 32.177 73.601 24.783 1.00 22.07 H new ATOM 0 HB2 GLN A 384 30.728 75.887 25.619 1.00 26.14 H new ATOM 0 HB3 GLN A 384 32.133 75.925 24.945 1.00 26.14 H new ATOM 0 HG2 GLN A 384 31.292 75.373 22.903 1.00 29.25 H new ATOM 0 HG3 GLN A 384 29.954 74.851 23.511 1.00 29.25 H new ATOM 0 HE21 GLN A 384 28.266 76.331 23.960 1.00 33.12 H new ATOM 0 HE22 GLN A 384 28.280 77.748 23.502 1.00 33.12 H new ATOM 1417 N THR A 385 31.273 73.850 27.801 1.00 21.69 N ANISOU 1417 N THR A 385 3002 2889 2352 1092 297 1122 N ATOM 1418 CA THR A 385 31.719 73.691 29.183 1.00 21.23 C ANISOU 1418 CA THR A 385 2968 2735 2364 1039 313 1052 C ATOM 1419 C THR A 385 31.465 72.273 29.654 1.00 19.54 C ANISOU 1419 C THR A 385 2611 2663 2149 965 269 1009 C ATOM 1420 O THR A 385 30.324 71.823 29.716 1.00 21.41 O ANISOU 1420 O THR A 385 2720 3067 2349 1026 249 1029 O ATOM 1421 CB THR A 385 31.008 74.663 30.136 1.00 24.29 C ANISOU 1421 CB THR A 385 3411 3067 2750 1180 357 1050 C ATOM 1422 OG1 THR A 385 31.169 76.004 29.660 1.00 25.92 O ANISOU 1422 OG1 THR A 385 3756 3134 2958 1254 397 1097 O ATOM 1423 CG2 THR A 385 31.587 74.553 31.543 1.00 28.52 C ANISOU 1423 CG2 THR A 385 4004 3490 3342 1136 367 967 C ATOM 0 H THR A 385 30.419 73.885 27.706 1.00 21.69 H new ATOM 0 HA THR A 385 32.669 73.888 29.198 1.00 21.23 H new ATOM 0 HB THR A 385 30.066 74.435 30.166 1.00 24.29 H new ATOM 0 HG1 THR A 385 30.779 76.535 30.181 1.00 25.92 H new ATOM 0 HG21 THR A 385 31.128 75.172 32.131 1.00 28.52 H new ATOM 0 HG22 THR A 385 31.470 73.648 31.872 1.00 28.52 H new ATOM 0 HG23 THR A 385 32.533 74.769 31.522 1.00 28.52 H new ATOM 1431 N VAL A 386 32.537 71.572 30.005 1.00 15.95 N ANISOU 1431 N VAL A 386 2175 2141 1745 829 257 956 N ATOM 1432 CA VAL A 386 32.444 70.151 30.298 1.00 15.46 C ANISOU 1432 CA VAL A 386 1991 2199 1683 742 216 923 C ATOM 1433 C VAL A 386 32.827 69.904 31.751 1.00 16.58 C ANISOU 1433 C VAL A 386 2162 2266 1872 720 237 865 C ATOM 1434 O VAL A 386 33.971 70.116 32.142 1.00 17.33 O ANISOU 1434 O VAL A 386 2359 2211 2015 656 244 820 O ATOM 1435 CB VAL A 386 33.330 69.352 29.328 1.00 16.51 C ANISOU 1435 CB VAL A 386 2117 2347 1808 613 181 910 C ATOM 1436 CG1 VAL A 386 33.169 67.856 29.557 1.00 19.57 C ANISOU 1436 CG1 VAL A 386 2386 2857 2193 521 132 878 C ATOM 1437 CG2 VAL A 386 32.986 69.729 27.888 1.00 17.09 C ANISOU 1437 CG2 VAL A 386 2196 2486 1812 664 164 965 C ATOM 0 H VAL A 386 33.328 71.902 30.079 1.00 15.95 H new ATOM 0 HA VAL A 386 31.531 69.848 30.173 1.00 15.46 H new ATOM 0 HB VAL A 386 34.260 69.574 29.493 1.00 16.51 H new ATOM 0 HG11 VAL A 386 33.735 67.371 28.936 1.00 19.57 H new ATOM 0 HG12 VAL A 386 33.426 67.638 30.467 1.00 19.57 H new ATOM 0 HG13 VAL A 386 32.243 67.604 29.414 1.00 19.57 H new ATOM 0 HG21 VAL A 386 33.546 69.224 27.278 1.00 17.09 H new ATOM 0 HG22 VAL A 386 32.054 69.525 27.714 1.00 17.09 H new ATOM 0 HG23 VAL A 386 33.139 70.678 27.756 1.00 17.09 H new ATOM 1447 N THR A 387 31.857 69.466 32.549 1.00 14.12 N ANISOU 1447 N THR A 387 1757 2064 1545 780 250 871 N ATOM 1448 CA THR A 387 32.084 69.223 33.969 1.00 13.66 C ANISOU 1448 CA THR A 387 1734 1951 1503 792 280 821 C ATOM 1449 C THR A 387 32.243 67.731 34.216 1.00 15.97 C ANISOU 1449 C THR A 387 1927 2332 1811 681 256 813 C ATOM 1450 O THR A 387 31.284 66.964 34.133 1.00 14.79 O ANISOU 1450 O THR A 387 1628 2340 1653 679 255 865 O ATOM 1451 CB THR A 387 30.943 69.774 34.838 1.00 18.87 C ANISOU 1451 CB THR A 387 2379 2667 2125 948 342 844 C ATOM 1452 OG1 THR A 387 30.847 71.192 34.655 1.00 17.78 O ANISOU 1452 OG1 THR A 387 2357 2428 1970 1052 362 846 O ATOM 1453 CG2 THR A 387 31.192 69.473 36.321 1.00 18.68 C ANISOU 1453 CG2 THR A 387 2409 2597 2090 977 378 790 C ATOM 0 H THR A 387 31.055 69.303 32.285 1.00 14.12 H new ATOM 0 HA THR A 387 32.896 69.690 34.220 1.00 13.66 H new ATOM 0 HB THR A 387 30.116 69.345 34.568 1.00 18.87 H new ATOM 0 HG1 THR A 387 30.325 71.358 34.018 1.00 17.78 H new ATOM 0 HG21 THR A 387 30.461 69.829 36.851 1.00 18.68 H new ATOM 0 HG22 THR A 387 31.248 68.513 36.452 1.00 18.68 H new ATOM 0 HG23 THR A 387 32.024 69.886 36.600 1.00 18.68 H new ATOM 1461 N ILE A 388 33.473 67.345 34.516 1.00 11.58 N ANISOU 1461 N ILE A 388 1449 1668 1283 585 236 753 N ATOM 1462 CA ILE A 388 33.831 65.952 34.735 1.00 10.64 C ANISOU 1462 CA ILE A 388 1267 1600 1175 470 215 737 C ATOM 1463 C ILE A 388 34.033 65.685 36.216 1.00 13.16 C ANISOU 1463 C ILE A 388 1641 1872 1487 511 247 693 C ATOM 1464 O ILE A 388 34.696 66.465 36.909 1.00 13.38 O ANISOU 1464 O ILE A 388 1800 1770 1513 570 247 634 O ATOM 1465 CB ILE A 388 35.104 65.597 33.941 1.00 11.65 C ANISOU 1465 CB ILE A 388 1436 1659 1331 334 174 690 C ATOM 1466 CG1 ILE A 388 34.804 65.606 32.443 1.00 13.55 C ANISOU 1466 CG1 ILE A 388 1623 1981 1546 306 146 738 C ATOM 1467 CG2 ILE A 388 35.657 64.242 34.359 1.00 14.31 C ANISOU 1467 CG2 ILE A 388 1741 2008 1688 219 155 624 C ATOM 1468 CD1 ILE A 388 36.038 65.586 31.574 1.00 16.99 C ANISOU 1468 CD1 ILE A 388 2118 2343 1994 214 138 710 C ATOM 0 H ILE A 388 34.132 67.891 34.599 1.00 11.58 H new ATOM 0 HA ILE A 388 33.106 65.391 34.420 1.00 10.64 H new ATOM 0 HB ILE A 388 35.778 66.266 34.136 1.00 11.65 H new ATOM 0 HG12 ILE A 388 34.254 64.836 32.227 1.00 13.55 H new ATOM 0 HG13 ILE A 388 34.282 66.396 32.231 1.00 13.55 H new ATOM 0 HG21 ILE A 388 36.455 64.045 33.844 1.00 14.31 H new ATOM 0 HG22 ILE A 388 35.878 64.260 35.303 1.00 14.31 H new ATOM 0 HG23 ILE A 388 34.991 63.556 34.196 1.00 14.31 H new ATOM 0 HD11 ILE A 388 35.776 65.593 30.640 1.00 16.99 H new ATOM 0 HD12 ILE A 388 36.580 66.368 31.763 1.00 16.99 H new ATOM 0 HD13 ILE A 388 36.552 64.784 31.759 1.00 16.99 H new ATOM 1480 N AILE A 389 33.439 64.601 36.707 0.60 10.51 N ANISOU 1480 N AILE A 389 1209 1635 1147 481 273 715 N ATOM 1481 N BILE A 389 33.471 64.583 36.704 0.40 10.64 N ANISOU 1481 N BILE A 389 1228 1650 1165 478 272 713 N ATOM 1482 CA AILE A 389 33.816 64.047 37.999 0.60 10.28 C ANISOU 1482 CA AILE A 389 1241 1566 1100 498 303 672 C ATOM 1483 CA BILE A 389 33.833 64.069 38.018 0.40 10.28 C ANISOU 1483 CA BILE A 389 1245 1563 1099 500 303 671 C ATOM 1484 C AILE A 389 34.739 62.893 37.673 0.60 11.79 C ANISOU 1484 C AILE A 389 1423 1729 1327 339 257 617 C ATOM 1485 C BILE A 389 34.700 62.846 37.781 0.40 11.37 C ANISOU 1485 C BILE A 389 1370 1679 1272 345 262 619 C ATOM 1486 O AILE A 389 34.367 62.001 36.909 0.60 9.33 O ANISOU 1486 O AILE A 389 1006 1491 1047 233 243 646 O ATOM 1487 O BILE A 389 34.239 61.849 37.224 0.40 10.82 O ANISOU 1487 O BILE A 389 1192 1687 1232 245 260 654 O ATOM 1488 CB AILE A 389 32.612 63.578 38.835 0.60 11.93 C ANISOU 1488 CB AILE A 389 1365 1887 1283 578 393 755 C ATOM 1489 CB BILE A 389 32.609 63.728 38.879 0.40 11.71 C ANISOU 1489 CB BILE A 389 1347 1852 1249 596 395 753 C ATOM 1490 CG1AILE A 389 31.559 64.684 38.953 0.60 15.30 C ANISOU 1490 CG1AILE A 389 1766 2370 1675 750 447 821 C ATOM 1491 CG1BILE A 389 31.763 64.978 39.124 0.40 13.91 C ANISOU 1491 CG1BILE A 389 1641 2156 1487 777 444 794 C ATOM 1492 CG2AILE A 389 33.076 63.123 40.216 0.60 11.23 C ANISOU 1492 CG2AILE A 389 1376 1745 1144 630 433 716 C ATOM 1493 CG2BILE A 389 33.054 63.114 40.208 0.40 11.40 C ANISOU 1493 CG2BILE A 389 1395 1769 1167 629 434 718 C ATOM 1494 CD1AILE A 389 32.061 65.957 39.591 0.60 16.62 C ANISOU 1494 CD1AILE A 389 2112 2410 1795 875 445 732 C ATOM 1495 CD1BILE A 389 30.413 64.688 39.737 0.40 14.86 C ANISOU 1495 CD1BILE A 389 1637 2420 1590 880 550 905 C ATOM 0 H AILE A 389 32.813 64.171 36.304 0.60 10.64 H new ATOM 0 H BILE A 389 32.878 64.119 36.289 0.40 10.64 H new ATOM 0 HA AILE A 389 34.241 64.723 38.550 0.60 10.28 H new ATOM 0 HA BILE A 389 34.311 64.749 38.519 0.40 10.28 H new ATOM 0 HB AILE A 389 32.200 62.826 38.382 0.60 11.71 H new ATOM 0 HB BILE A 389 32.066 63.080 38.404 0.40 11.71 H new ATOM 0 HG12AILE A 389 31.222 64.890 38.067 0.60 13.91 H new ATOM 0 HG12BILE A 389 32.251 65.580 39.707 0.40 13.91 H new ATOM 0 HG13AILE A 389 30.810 64.349 39.471 0.60 13.91 H new ATOM 0 HG13BILE A 389 31.634 65.441 38.282 0.40 13.91 H new ATOM 0 HG21AILE A 389 32.310 62.830 40.734 0.60 11.40 H new ATOM 0 HG21BILE A 389 32.274 62.902 40.744 0.40 11.40 H new ATOM 0 HG22AILE A 389 33.702 62.388 40.121 0.60 11.40 H new ATOM 0 HG22BILE A 389 33.558 62.303 40.037 0.40 11.40 H new ATOM 0 HG23AILE A 389 33.510 63.861 40.671 0.60 11.40 H new ATOM 0 HG23BILE A 389 33.612 63.747 40.686 0.40 11.40 H new ATOM 0 HD11AILE A 389 31.341 66.606 39.630 0.60 14.86 H new ATOM 0 HD11BILE A 389 29.930 65.520 39.865 0.40 14.86 H new ATOM 0 HD12AILE A 389 32.374 65.767 40.489 0.60 14.86 H new ATOM 0 HD12BILE A 389 29.907 64.109 39.146 0.40 14.86 H new ATOM 0 HD13AILE A 389 32.791 66.317 39.064 0.60 14.86 H new ATOM 0 HD13BILE A 389 30.534 64.249 40.594 0.40 14.86 H new ATOM 1518 N ALA A 390 35.951 62.927 38.222 1.00 11.08 N ANISOU 1518 N ALA A 390 1443 1532 1234 330 222 529 N ATOM 1519 CA ALA A 390 36.947 61.890 37.962 1.00 9.31 C ANISOU 1519 CA ALA A 390 1218 1279 1041 208 180 474 C ATOM 1520 C ALA A 390 37.469 61.344 39.272 1.00 8.09 C ANISOU 1520 C ALA A 390 1140 1084 848 259 183 430 C ATOM 1521 O ALA A 390 37.443 62.026 40.296 1.00 9.09 O ANISOU 1521 O ALA A 390 1353 1179 921 383 192 406 O ATOM 1522 CB ALA A 390 38.097 62.442 37.135 1.00 11.88 C ANISOU 1522 CB ALA A 390 1576 1527 1410 143 124 414 C ATOM 0 H AALA A 390 36.218 63.548 38.753 0.60 11.08 H new ATOM 0 H BALA A 390 36.249 63.589 38.683 0.40 11.08 H new ATOM 0 HA ALA A 390 36.525 61.175 37.460 1.00 9.31 H new ATOM 0 HB1 ALA A 390 38.746 61.740 36.974 1.00 11.88 H new ATOM 0 HB2 ALA A 390 37.758 62.770 36.287 1.00 11.88 H new ATOM 0 HB3 ALA A 390 38.522 63.170 37.616 1.00 11.88 H new ATOM 1528 N GLN A 391 37.931 60.103 39.232 1.00 8.74 N ANISOU 1528 N GLN A 391 1207 1168 945 179 175 417 N ATOM 1529 CA GLN A 391 38.496 59.456 40.396 1.00 8.39 C ANISOU 1529 CA GLN A 391 1243 1090 854 238 174 386 C ATOM 1530 C GLN A 391 39.660 58.589 39.951 1.00 9.42 C ANISOU 1530 C GLN A 391 1377 1181 1023 150 119 324 C ATOM 1531 O GLN A 391 39.515 57.762 39.050 1.00 9.86 O ANISOU 1531 O GLN A 391 1372 1254 1122 46 128 347 O ATOM 1532 CB GLN A 391 37.441 58.622 41.109 1.00 8.91 C ANISOU 1532 CB GLN A 391 1290 1210 885 276 271 485 C ATOM 1533 CG GLN A 391 37.944 57.994 42.386 1.00 12.86 C ANISOU 1533 CG GLN A 391 1899 1679 1309 371 287 475 C ATOM 1534 CD GLN A 391 36.834 57.455 43.243 1.00 15.43 C ANISOU 1534 CD GLN A 391 2195 2046 1621 419 390 550 C ATOM 1535 OE1 GLN A 391 35.784 57.037 42.743 1.00 15.52 O ANISOU 1535 OE1 GLN A 391 2091 2101 1706 334 442 618 O ATOM 1536 NE2 GLN A 391 37.049 57.470 44.552 1.00 16.05 N ANISOU 1536 NE2 GLN A 391 2374 2113 1610 560 411 530 N ATOM 0 H GLN A 391 37.924 59.613 38.525 1.00 8.74 H new ATOM 0 HA GLN A 391 38.812 60.125 41.023 1.00 8.39 H new ATOM 0 HB2 GLN A 391 36.676 59.183 41.311 1.00 8.91 H new ATOM 0 HB3 GLN A 391 37.131 57.923 40.512 1.00 8.91 H new ATOM 0 HG2 GLN A 391 38.558 57.275 42.169 1.00 12.86 H new ATOM 0 HG3 GLN A 391 38.446 58.653 42.890 1.00 12.86 H new ATOM 0 HE21 GLN A 391 37.793 57.769 44.862 1.00 16.05 H new ATOM 0 HE22 GLN A 391 36.444 57.181 45.090 1.00 16.05 H new ATOM 1545 N TYR A 392 40.809 58.775 40.591 1.00 8.29 N ANISOU 1545 N TYR A 392 1301 987 861 202 53 239 N ATOM 1546 CA TYR A 392 42.030 58.075 40.219 1.00 8.52 C ANISOU 1546 CA TYR A 392 1320 988 928 146 -2 176 C ATOM 1547 C TYR A 392 41.967 56.605 40.647 1.00 10.18 C ANISOU 1547 C TYR A 392 1564 1200 1106 159 35 215 C ATOM 1548 O TYR A 392 41.841 56.297 41.840 1.00 8.83 O ANISOU 1548 O TYR A 392 1471 1027 859 268 53 236 O ATOM 1549 CB TYR A 392 43.224 58.791 40.847 1.00 9.87 C ANISOU 1549 CB TYR A 392 1529 1118 1102 201 -96 71 C ATOM 1550 CG TYR A 392 44.574 58.278 40.404 1.00 7.99 C ANISOU 1550 CG TYR A 392 1246 868 923 151 -154 5 C ATOM 1551 CD1 TYR A 392 44.927 58.243 39.063 1.00 11.85 C ANISOU 1551 CD1 TYR A 392 1652 1361 1489 40 -133 13 C ATOM 1552 CD2 TYR A 392 45.506 57.846 41.338 1.00 11.00 C ANISOU 1552 CD2 TYR A 392 1664 1246 1269 235 -229 -61 C ATOM 1553 CE1 TYR A 392 46.169 57.779 38.669 1.00 11.60 C ANISOU 1553 CE1 TYR A 392 1568 1331 1508 13 -167 -40 C ATOM 1554 CE2 TYR A 392 46.741 57.388 40.954 1.00 11.36 C ANISOU 1554 CE2 TYR A 392 1647 1297 1374 207 -279 -117 C ATOM 1555 CZ TYR A 392 47.072 57.353 39.618 1.00 13.69 C ANISOU 1555 CZ TYR A 392 1852 1597 1755 95 -240 -104 C ATOM 1556 OH TYR A 392 48.316 56.893 39.230 1.00 13.92 O ANISOU 1556 OH TYR A 392 1807 1642 1840 83 -272 -153 O ATOM 0 H TYR A 392 40.902 59.313 41.256 1.00 8.29 H new ATOM 0 HA TYR A 392 42.130 58.085 39.254 1.00 8.52 H new ATOM 0 HB2 TYR A 392 43.166 59.736 40.636 1.00 9.87 H new ATOM 0 HB3 TYR A 392 43.162 58.711 41.812 1.00 9.87 H new ATOM 0 HD1 TYR A 392 44.321 58.535 38.421 1.00 11.85 H new ATOM 0 HD2 TYR A 392 45.289 57.868 42.242 1.00 11.00 H new ATOM 0 HE1 TYR A 392 46.394 57.755 37.767 1.00 11.60 H new ATOM 0 HE2 TYR A 392 47.352 57.102 41.594 1.00 11.36 H new ATOM 0 HH TYR A 392 48.484 56.171 39.625 1.00 13.92 H new ATOM 1566 N LYS A 393 42.050 55.711 39.663 1.00 9.22 N ANISOU 1566 N LYS A 393 1398 1073 1034 59 49 227 N ATOM 1567 CA LYS A 393 41.907 54.269 39.867 1.00 9.25 C ANISOU 1567 CA LYS A 393 1440 1045 1028 49 91 267 C ATOM 1568 C LYS A 393 43.003 53.534 39.091 1.00 9.92 C ANISOU 1568 C LYS A 393 1523 1098 1148 8 50 203 C ATOM 1569 O LYS A 393 42.737 52.838 38.109 1.00 11.18 O ANISOU 1569 O LYS A 393 1661 1243 1345 -83 68 207 O ATOM 1570 CB LYS A 393 40.517 53.801 39.416 1.00 10.53 C ANISOU 1570 CB LYS A 393 1553 1222 1224 -41 162 353 C ATOM 1571 CG LYS A 393 39.367 54.277 40.307 1.00 11.82 C ANISOU 1571 CG LYS A 393 1709 1429 1354 19 234 441 C ATOM 1572 CD LYS A 393 39.258 53.436 41.554 1.00 19.22 C ANISOU 1572 CD LYS A 393 2734 2330 2238 104 304 508 C ATOM 1573 CE LYS A 393 38.028 53.816 42.377 1.00 29.79 C ANISOU 1573 CE LYS A 393 4033 3727 3560 156 375 567 C ATOM 1574 NZ LYS A 393 37.348 52.607 42.922 1.00 39.90 N ANISOU 1574 NZ LYS A 393 5311 4979 4869 124 451 635 N ATOM 0 H LYS A 393 42.194 55.929 38.844 1.00 9.22 H new ATOM 0 HA LYS A 393 42.000 54.068 40.811 1.00 9.25 H new ATOM 0 HB2 LYS A 393 40.361 54.114 38.511 1.00 10.53 H new ATOM 0 HB3 LYS A 393 40.508 52.831 39.387 1.00 10.53 H new ATOM 0 HG2 LYS A 393 39.507 55.205 40.551 1.00 11.82 H new ATOM 0 HG3 LYS A 393 38.533 54.236 39.813 1.00 11.82 H new ATOM 0 HD2 LYS A 393 39.209 52.498 41.311 1.00 19.22 H new ATOM 0 HD3 LYS A 393 40.057 53.548 42.093 1.00 19.22 H new ATOM 0 HE2 LYS A 393 38.292 54.398 43.107 1.00 29.79 H new ATOM 0 HE3 LYS A 393 37.408 54.317 41.824 1.00 29.79 H new ATOM 0 HZ1 LYS A 393 36.738 52.854 43.521 1.00 39.90 H new ATOM 0 HZ2 LYS A 393 36.951 52.166 42.259 1.00 39.90 H new ATOM 0 HZ3 LYS A 393 37.949 52.078 43.312 1.00 39.90 H new ATOM 1588 N PRO A 394 44.251 53.687 39.532 1.00 10.12 N ANISOU 1588 N PRO A 394 1567 1118 1160 86 -12 134 N ATOM 1589 CA PRO A 394 45.361 53.170 38.731 1.00 10.97 C ANISOU 1589 CA PRO A 394 1646 1216 1306 64 -41 74 C ATOM 1590 C PRO A 394 45.418 51.644 38.646 1.00 10.16 C ANISOU 1590 C PRO A 394 1612 1056 1193 75 -7 93 C ATOM 1591 O PRO A 394 45.910 51.119 37.638 1.00 12.14 O ANISOU 1591 O PRO A 394 1845 1294 1471 35 -4 56 O ATOM 1592 CB PRO A 394 46.593 53.729 39.449 1.00 11.42 C ANISOU 1592 CB PRO A 394 1685 1294 1362 154 -123 2 C ATOM 1593 CG PRO A 394 46.150 53.961 40.855 1.00 11.31 C ANISOU 1593 CG PRO A 394 1749 1277 1270 256 -139 23 C ATOM 1594 CD PRO A 394 44.714 54.406 40.732 1.00 12.20 C ANISOU 1594 CD PRO A 394 1868 1395 1374 201 -67 98 C ATOM 0 HA PRO A 394 45.281 53.440 37.803 1.00 10.97 H new ATOM 0 HB2 PRO A 394 47.334 53.104 39.413 1.00 11.42 H new ATOM 0 HB3 PRO A 394 46.896 54.553 39.036 1.00 11.42 H new ATOM 0 HG2 PRO A 394 46.225 53.153 41.386 1.00 11.31 H new ATOM 0 HG3 PRO A 394 46.693 54.637 41.289 1.00 11.31 H new ATOM 0 HD2 PRO A 394 44.195 54.169 41.516 1.00 12.20 H new ATOM 0 HD3 PRO A 394 44.643 55.367 40.625 1.00 12.20 H new ATOM 1602 N GLU A 395 44.957 50.942 39.680 1.00 11.53 N ANISOU 1602 N GLU A 395 1875 1186 1320 140 28 154 N ATOM 1603 CA GLU A 395 44.980 49.485 39.666 1.00 13.48 C ANISOU 1603 CA GLU A 395 2210 1345 1568 150 69 183 C ATOM 1604 C GLU A 395 44.042 48.964 38.581 1.00 13.96 C ANISOU 1604 C GLU A 395 2252 1363 1688 -1 112 201 C ATOM 1605 O GLU A 395 44.416 48.098 37.786 1.00 13.82 O ANISOU 1605 O GLU A 395 2270 1287 1695 -31 109 157 O ATOM 1606 CB GLU A 395 44.603 48.920 41.040 1.00 14.57 C ANISOU 1606 CB GLU A 395 2456 1439 1643 253 118 271 C ATOM 1607 CG GLU A 395 45.611 49.233 42.156 1.00 18.17 C ANISOU 1607 CG GLU A 395 2955 1937 2013 432 51 239 C ATOM 1608 CD GLU A 395 45.524 50.658 42.693 1.00 19.98 C ANISOU 1608 CD GLU A 395 3132 2254 2205 465 -3 204 C ATOM 1609 OE1 GLU A 395 44.481 51.331 42.504 1.00 17.22 O ANISOU 1609 OE1 GLU A 395 2741 1926 1876 384 44 243 O ATOM 1610 OE2 GLU A 395 46.514 51.106 43.317 1.00 17.94 O ANISOU 1610 OE2 GLU A 395 2875 2041 1902 579 -101 131 O ATOM 0 H GLU A 395 44.629 51.290 40.395 1.00 11.53 H new ATOM 0 HA GLU A 395 45.881 49.187 39.466 1.00 13.48 H new ATOM 0 HB2 GLU A 395 43.736 49.272 41.295 1.00 14.57 H new ATOM 0 HB3 GLU A 395 44.508 47.957 40.966 1.00 14.57 H new ATOM 0 HG2 GLU A 395 45.471 48.613 42.888 1.00 18.17 H new ATOM 0 HG3 GLU A 395 46.508 49.078 41.821 1.00 18.17 H new ATOM 1617 N AGLU A 396 42.819 49.486 38.543 0.54 13.52 N ANISOU 1617 N AGLU A 396 2142 1341 1654 -85 144 256 N ATOM 1618 N BGLU A 396 42.837 49.519 38.524 0.46 13.76 N ANISOU 1618 N BGLU A 396 2169 1374 1684 -85 142 254 N ATOM 1619 CA AGLU A 396 41.877 49.089 37.505 0.54 14.79 C ANISOU 1619 CA AGLU A 396 2261 1483 1875 -232 156 260 C ATOM 1620 CA BGLU A 396 41.861 49.094 37.535 0.46 14.82 C ANISOU 1620 CA BGLU A 396 2265 1487 1879 -231 157 262 C ATOM 1621 C AGLU A 396 42.436 49.451 36.141 0.54 14.13 C ANISOU 1621 C AGLU A 396 2131 1445 1794 -274 98 168 C ATOM 1622 C BGLU A 396 42.297 49.515 36.129 0.46 14.43 C ANISOU 1622 C BGLU A 396 2160 1488 1834 -283 99 174 C ATOM 1623 O AGLU A 396 42.405 48.645 35.209 0.54 14.21 O ANISOU 1623 O AGLU A 396 2170 1405 1822 -339 83 120 O ATOM 1624 O BGLU A 396 42.056 48.796 35.156 0.46 15.02 O ANISOU 1624 O BGLU A 396 2251 1523 1932 -365 83 132 O ATOM 1625 CB AGLU A 396 40.510 49.754 37.702 0.54 17.21 C ANISOU 1625 CB AGLU A 396 2481 1853 2205 -295 191 336 C ATOM 1626 CB BGLU A 396 40.480 49.663 37.880 0.46 17.35 C ANISOU 1626 CB BGLU A 396 2509 1861 2221 -287 201 347 C ATOM 1627 CG AGLU A 396 39.663 49.109 38.781 0.54 20.56 C ANISOU 1627 CG AGLU A 396 2939 2225 2647 -291 283 448 C ATOM 1628 CG BGLU A 396 40.017 49.282 39.284 0.46 21.65 C ANISOU 1628 CG BGLU A 396 3111 2369 2748 -219 288 454 C ATOM 1629 CD AGLU A 396 39.971 49.652 40.160 0.54 23.39 C ANISOU 1629 CD AGLU A 396 3352 2616 2920 -132 318 497 C ATOM 1630 CD BGLU A 396 38.585 49.689 39.569 0.46 23.96 C ANISOU 1630 CD BGLU A 396 3300 2736 3068 -270 332 530 C ATOM 1631 OE1AGLU A 396 40.961 50.405 40.299 0.54 19.17 O ANISOU 1631 OE1AGLU A 396 2834 2123 2327 -36 252 425 O ATOM 1632 OE1BGLU A 396 37.792 49.799 38.612 0.46 22.04 O ANISOU 1632 OE1BGLU A 396 2964 2528 2881 -393 309 511 O ATOM 1633 OE2AGLU A 396 39.217 49.335 41.103 0.54 26.92 O ANISOU 1633 OE2AGLU A 396 3793 3074 3359 -103 375 568 O ATOM 1634 OE2BGLU A 396 38.253 49.898 40.755 0.46 26.62 O ANISOU 1634 OE2BGLU A 396 3656 3104 3355 -174 384 586 O ATOM 0 H AGLU A 396 42.519 50.065 39.103 0.54 13.76 H new ATOM 0 H BGLU A 396 42.567 50.143 39.050 0.46 13.76 H new ATOM 0 HA AGLU A 396 41.752 48.129 37.564 0.54 14.82 H new ATOM 0 HA BGLU A 396 41.804 48.126 37.548 0.46 14.82 H new ATOM 0 HB2AGLU A 396 40.644 50.689 37.924 0.54 17.35 H new ATOM 0 HB2BGLU A 396 40.505 50.630 37.803 0.46 17.35 H new ATOM 0 HB3AGLU A 396 40.024 49.728 36.863 0.54 17.35 H new ATOM 0 HB3BGLU A 396 39.832 49.344 37.233 0.46 17.35 H new ATOM 0 HG2AGLU A 396 38.725 49.254 38.582 0.54 21.65 H new ATOM 0 HG2BGLU A 396 40.104 48.323 39.398 0.46 21.65 H new ATOM 0 HG3AGLU A 396 39.810 48.150 38.774 0.54 21.65 H new ATOM 0 HG3BGLU A 396 40.602 49.699 39.936 0.46 21.65 H new ATOM 1647 N TYR A 397 42.952 50.671 36.022 1.00 12.44 N ANISOU 1647 N TYR A 397 1854 1315 1556 -231 70 144 N ATOM 1648 CA TYR A 397 43.471 51.133 34.736 1.00 10.98 C ANISOU 1648 CA TYR A 397 1624 1180 1369 -262 41 84 C ATOM 1649 C TYR A 397 44.604 50.237 34.238 1.00 12.34 C ANISOU 1649 C TYR A 397 1849 1309 1530 -218 37 17 C ATOM 1650 O TYR A 397 44.694 49.933 33.043 1.00 13.54 O ANISOU 1650 O TYR A 397 2010 1469 1666 -254 32 -29 O ATOM 1651 CB TYR A 397 43.996 52.586 34.801 1.00 12.65 C ANISOU 1651 CB TYR A 397 1768 1461 1579 -225 27 82 C ATOM 1652 CG TYR A 397 44.725 52.881 33.523 1.00 10.38 C ANISOU 1652 CG TYR A 397 1445 1211 1288 -242 26 40 C ATOM 1653 CD1 TYR A 397 44.026 53.208 32.371 1.00 10.93 C ANISOU 1653 CD1 TYR A 397 1493 1326 1335 -303 29 51 C ATOM 1654 CD2 TYR A 397 46.104 52.731 33.437 1.00 10.88 C ANISOU 1654 CD2 TYR A 397 1497 1273 1363 -184 29 -7 C ATOM 1655 CE1 TYR A 397 44.667 53.400 31.182 1.00 12.28 C ANISOU 1655 CE1 TYR A 397 1652 1535 1478 -300 46 26 C ATOM 1656 CE2 TYR A 397 46.761 52.924 32.248 1.00 11.46 C ANISOU 1656 CE2 TYR A 397 1537 1387 1429 -190 57 -29 C ATOM 1657 CZ TYR A 397 46.036 53.258 31.125 1.00 13.15 C ANISOU 1657 CZ TYR A 397 1753 1641 1604 -244 72 -9 C ATOM 1658 OH TYR A 397 46.682 53.441 29.940 1.00 14.33 O ANISOU 1658 OH TYR A 397 1886 1836 1721 -229 115 -19 O ATOM 0 H ATYR A 397 43.011 51.241 36.664 0.54 12.44 H new ATOM 0 H BTYR A 397 43.106 51.201 36.681 0.46 12.44 H new ATOM 0 HA TYR A 397 42.722 51.095 34.121 1.00 10.98 H new ATOM 0 HB2 TYR A 397 43.260 53.206 34.921 1.00 12.65 H new ATOM 0 HB3 TYR A 397 44.588 52.698 35.561 1.00 12.65 H new ATOM 0 HD1 TYR A 397 43.101 53.298 32.410 1.00 10.93 H new ATOM 0 HD2 TYR A 397 46.588 52.497 34.196 1.00 10.88 H new ATOM 0 HE1 TYR A 397 44.185 53.624 30.419 1.00 12.28 H new ATOM 0 HE2 TYR A 397 47.685 52.830 32.201 1.00 11.46 H new ATOM 0 HH TYR A 397 47.409 53.020 29.949 1.00 14.33 H new ATOM 1668 N ASER A 398 45.488 49.843 35.144 0.61 11.87 N ANISOU 1668 N ASER A 398 1830 1215 1466 -119 36 11 N ATOM 1669 N BSER A 398 45.460 49.818 35.164 0.39 12.60 N ANISOU 1669 N BSER A 398 1923 1304 1558 -119 37 12 N ATOM 1670 CA ASER A 398 46.697 49.112 34.764 0.61 15.80 C ANISOU 1670 CA ASER A 398 2359 1689 1954 -42 36 -48 C ATOM 1671 CA BSER A 398 46.628 48.996 34.847 0.39 15.84 C ANISOU 1671 CA BSER A 398 2376 1684 1959 -41 37 -45 C ATOM 1672 C ASER A 398 46.407 47.778 34.070 0.61 17.26 C ANISOU 1672 C ASER A 398 2648 1781 2131 -71 53 -79 C ATOM 1673 C BSER A 398 46.298 47.756 34.019 0.39 17.20 C ANISOU 1673 C BSER A 398 2642 1770 2124 -82 54 -78 C ATOM 1674 O ASER A 398 47.292 47.208 33.427 0.61 20.85 O ANISOU 1674 O ASER A 398 3135 2221 2565 -7 62 -138 O ATOM 1675 O BSER A 398 47.111 47.312 33.207 0.39 20.01 O ANISOU 1675 O BSER A 398 3021 2123 2458 -32 60 -140 O ATOM 1676 CB ASER A 398 47.573 48.868 35.995 0.61 17.66 C ANISOU 1676 CB ASER A 398 2618 1911 2180 87 17 -44 C ATOM 1677 CB BSER A 398 47.329 48.567 36.139 0.39 18.92 C ANISOU 1677 CB BSER A 398 2812 2042 2336 85 25 -31 C ATOM 1678 OG ASER A 398 46.977 47.927 36.871 0.61 19.51 O ANISOU 1678 OG ASER A 398 2964 2051 2397 115 39 9 O ATOM 1679 OG BSER A 398 48.188 49.588 36.617 0.39 22.60 O ANISOU 1679 OG BSER A 398 3185 2592 2810 145 -19 -53 O ATOM 0 H ASER A 398 45.409 49.988 35.988 0.61 12.60 H new ATOM 0 H BSER A 398 45.381 50.003 36.000 0.39 12.60 H new ATOM 0 HA ASER A 398 47.163 49.670 34.122 0.61 15.84 H new ATOM 0 HA BSER A 398 47.210 49.551 34.305 0.39 15.84 H new ATOM 0 HB2ASER A 398 48.445 48.547 35.716 0.61 18.92 H new ATOM 0 HB2BSER A 398 46.666 48.355 36.815 0.39 18.92 H new ATOM 0 HB3ASER A 398 47.716 49.705 36.464 0.61 18.92 H new ATOM 0 HB3BSER A 398 47.840 47.758 35.980 0.39 18.92 H new ATOM 0 HG ASER A 398 46.182 48.151 37.024 0.61 22.60 H new ATOM 0 HG BSER A 398 47.731 50.192 36.980 0.39 22.60 H new ATOM 1690 N AARG A 399 45.181 47.276 34.187 0.61 15.58 N ANISOU 1690 N AARG A 399 2482 1499 1940 -166 60 -44 N ATOM 1691 N BARG A 399 45.111 47.196 34.222 0.39 15.77 N ANISOU 1691 N BARG A 399 2512 1513 1965 -170 62 -41 N ATOM 1692 CA AARG A 399 44.824 46.015 33.537 0.61 16.30 C ANISOU 1692 CA AARG A 399 2676 1474 2042 -219 61 -88 C ATOM 1693 CA BARG A 399 44.720 45.976 33.523 0.39 16.34 C ANISOU 1693 CA BARG A 399 2683 1473 2050 -229 60 -87 C ATOM 1694 C AARG A 399 44.746 46.188 32.024 0.61 14.22 C ANISOU 1694 C AARG A 399 2395 1264 1746 -273 28 -169 C ATOM 1695 C BARG A 399 44.700 46.178 32.013 0.39 14.20 C ANISOU 1695 C BARG A 399 2392 1259 1744 -278 27 -169 C ATOM 1696 O AARG A 399 44.865 45.222 31.273 0.61 15.46 O ANISOU 1696 O AARG A 399 2651 1338 1885 -276 14 -245 O ATOM 1697 O BARG A 399 44.815 45.220 31.250 0.39 15.20 O ANISOU 1697 O BARG A 399 2618 1305 1853 -281 13 -246 O ATOM 1698 CB AARG A 399 43.490 45.487 34.064 0.61 20.45 C ANISOU 1698 CB AARG A 399 3228 1912 2629 -333 76 -24 C ATOM 1699 CB BARG A 399 43.347 45.499 34.004 0.39 19.87 C ANISOU 1699 CB BARG A 399 3149 1839 2560 -350 74 -24 C ATOM 1700 CG AARG A 399 42.277 46.046 33.345 0.61 21.99 C ANISOU 1700 CG AARG A 399 3327 2176 2851 -476 40 -25 C ATOM 1701 CG BARG A 399 43.325 45.059 35.460 0.39 20.91 C ANISOU 1701 CG BARG A 399 3340 1894 2710 -287 132 72 C ATOM 0 H AARG A 399 44.545 47.645 34.634 0.61 15.77 H new ATOM 0 H BARG A 399 44.517 47.506 34.761 0.39 15.77 H new ATOM 0 HA AARG A 399 45.519 45.371 33.745 0.61 16.34 H new ATOM 0 HA BARG A 399 45.383 45.298 33.727 0.39 16.34 H new ATOM 0 HB2AARG A 399 43.483 44.520 33.987 0.61 19.87 H new ATOM 0 HB2BARG A 399 42.704 46.215 33.882 0.39 19.87 H new ATOM 0 HB3AARG A 399 43.420 45.697 35.008 0.61 19.87 H new ATOM 0 HB3BARG A 399 43.058 44.759 33.447 0.39 19.87 H new ATOM 1710 N PHE A 400 44.560 47.428 31.579 1.00 11.70 N ANISOU 1710 N PHE A 400 1966 1074 1406 -301 15 -152 N ATOM 1711 CA PHE A 400 44.399 47.713 30.159 1.00 11.53 C ANISOU 1711 CA PHE A 400 1932 1120 1328 -335 -12 -209 C ATOM 1712 C PHE A 400 45.725 47.842 29.406 1.00 10.90 C ANISOU 1712 C PHE A 400 1863 1093 1187 -224 25 -255 C ATOM 1713 O PHE A 400 45.817 47.474 28.236 1.00 12.54 O ANISOU 1713 O PHE A 400 2130 1312 1323 -209 17 -324 O ATOM 1714 CB PHE A 400 43.598 49.002 29.978 1.00 13.09 C ANISOU 1714 CB PHE A 400 2019 1430 1523 -394 -29 -151 C ATOM 1715 CG PHE A 400 42.157 48.889 30.394 1.00 13.29 C ANISOU 1715 CG PHE A 400 2010 1438 1602 -502 -63 -110 C ATOM 1716 CD1 PHE A 400 41.224 48.307 29.555 1.00 23.01 C ANISOU 1716 CD1 PHE A 400 3257 2656 2831 -598 -128 -163 C ATOM 1717 CD2 PHE A 400 41.733 49.397 31.605 1.00 17.89 C ANISOU 1717 CD2 PHE A 400 2536 2027 2236 -503 -32 -22 C ATOM 1718 CE1 PHE A 400 39.897 48.215 29.928 1.00 26.42 C ANISOU 1718 CE1 PHE A 400 3619 3085 3336 -707 -157 -119 C ATOM 1719 CE2 PHE A 400 40.404 49.302 31.986 1.00 23.93 C ANISOU 1719 CE2 PHE A 400 3248 2791 3055 -593 -40 31 C ATOM 1720 CZ PHE A 400 39.491 48.713 31.146 1.00 25.88 C ANISOU 1720 CZ PHE A 400 3481 3030 3324 -703 -101 -12 C ATOM 0 H APHE A 400 44.524 48.121 32.087 0.61 11.70 H new ATOM 0 H BPHE A 400 44.556 48.121 32.088 0.39 11.70 H new ATOM 0 HA PHE A 400 43.929 46.953 29.781 1.00 11.53 H new ATOM 0 HB2 PHE A 400 44.019 49.709 30.492 1.00 13.09 H new ATOM 0 HB3 PHE A 400 43.636 49.268 29.046 1.00 13.09 H new ATOM 0 HD1 PHE A 400 41.493 47.974 28.730 1.00 23.01 H new ATOM 0 HD2 PHE A 400 42.346 49.808 32.172 1.00 17.89 H new ATOM 0 HE1 PHE A 400 39.279 47.818 29.358 1.00 26.42 H new ATOM 0 HE2 PHE A 400 40.131 49.637 32.810 1.00 23.93 H new ATOM 0 HZ PHE A 400 38.598 48.650 31.400 1.00 25.88 H new ATOM 1730 N GLU A 401 46.740 48.391 30.070 1.00 9.89 N ANISOU 1730 N GLU A 401 1668 1004 1085 -143 65 -219 N ATOM 1731 CA GLU A 401 47.988 48.743 29.385 1.00 9.83 C ANISOU 1731 CA GLU A 401 1616 1072 1047 -53 117 -239 C ATOM 1732 C GLU A 401 49.060 47.705 29.667 1.00 11.59 C ANISOU 1732 C GLU A 401 1893 1239 1270 68 142 -283 C ATOM 1733 O GLU A 401 49.312 47.366 30.821 1.00 14.88 O ANISOU 1733 O GLU A 401 2316 1605 1733 110 124 -264 O ATOM 1734 CB GLU A 401 48.479 50.135 29.806 1.00 11.59 C ANISOU 1734 CB GLU A 401 1700 1381 1323 -56 137 -176 C ATOM 1735 CG GLU A 401 49.654 50.646 28.957 1.00 14.08 C ANISOU 1735 CG GLU A 401 1939 1782 1630 5 211 -174 C ATOM 1736 CD GLU A 401 50.033 52.107 29.214 1.00 15.14 C ANISOU 1736 CD GLU A 401 1938 1976 1840 -35 232 -112 C ATOM 1737 OE1 GLU A 401 49.387 52.783 30.041 1.00 14.48 O ANISOU 1737 OE1 GLU A 401 1832 1869 1800 -95 182 -81 O ATOM 1738 OE2 GLU A 401 51.007 52.575 28.590 1.00 15.18 O ANISOU 1738 OE2 GLU A 401 1859 2043 1865 -3 307 -92 O ATOM 0 H GLU A 401 46.729 48.568 30.912 1.00 9.89 H new ATOM 0 HA GLU A 401 47.808 48.760 28.432 1.00 9.83 H new ATOM 0 HB2 GLU A 401 47.743 50.764 29.741 1.00 11.59 H new ATOM 0 HB3 GLU A 401 48.748 50.108 30.737 1.00 11.59 H new ATOM 0 HG2 GLU A 401 50.429 50.088 29.128 1.00 14.08 H new ATOM 0 HG3 GLU A 401 49.430 50.542 28.019 1.00 14.08 H new ATOM 1745 N ALA A 402 49.686 47.204 28.606 1.00 11.57 N ANISOU 1745 N ALA A 402 1941 1254 1201 146 185 -340 N ATOM 1746 CA ALA A 402 50.697 46.161 28.717 1.00 13.00 C ANISOU 1746 CA ALA A 402 2185 1386 1371 288 217 -387 C ATOM 1747 C ALA A 402 51.826 46.510 29.686 1.00 15.58 C ANISOU 1747 C ALA A 402 2385 1768 1768 378 232 -347 C ATOM 1748 O ALA A 402 52.338 47.630 29.690 1.00 17.50 O ANISOU 1748 O ALA A 402 2472 2122 2057 358 254 -305 O ATOM 1749 CB ALA A 402 51.278 45.856 27.343 1.00 17.56 C ANISOU 1749 CB ALA A 402 2810 2010 1852 379 282 -446 C ATOM 0 H ALA A 402 49.535 47.461 27.799 1.00 11.57 H new ATOM 0 HA ALA A 402 50.249 45.380 29.079 1.00 13.00 H new ATOM 0 HB1 ALA A 402 51.950 45.161 27.423 1.00 17.56 H new ATOM 0 HB2 ALA A 402 50.570 45.554 26.752 1.00 17.56 H new ATOM 0 HB3 ALA A 402 51.684 46.658 26.978 1.00 17.56 H new ATOM 1755 N ASN A 403 52.212 45.519 30.490 1.00 14.40 N ANISOU 1755 N ASN A 403 2309 1532 1630 479 214 -362 N ATOM 1756 CA ASN A 403 53.383 45.608 31.355 1.00 13.50 C ANISOU 1756 CA ASN A 403 2089 1477 1565 603 209 -344 C ATOM 1757 C ASN A 403 53.301 46.787 32.324 1.00 18.22 C ANISOU 1757 C ASN A 403 2548 2143 2231 528 152 -293 C ATOM 1758 O ASN A 403 54.321 47.361 32.702 1.00 16.30 O ANISOU 1758 O ASN A 403 2151 1998 2045 586 139 -290 O ATOM 1759 CB ASN A 403 54.656 45.711 30.510 1.00 19.69 C ANISOU 1759 CB ASN A 403 2764 2374 2344 718 285 -367 C ATOM 1760 CG ASN A 403 54.919 44.463 29.692 1.00 25.82 C ANISOU 1760 CG ASN A 403 3694 3081 3036 847 341 -430 C ATOM 1761 OD1 ASN A 403 55.205 44.542 28.496 1.00 37.58 O ANISOU 1761 OD1 ASN A 403 5179 4632 4468 879 418 -456 O ATOM 1762 ND2 ASN A 403 54.835 43.300 30.334 1.00 22.85 N ANISOU 1762 ND2 ASN A 403 3471 2568 2644 934 308 -452 N ATOM 0 H ASN A 403 51.795 44.769 30.547 1.00 14.40 H new ATOM 0 HA ASN A 403 53.409 44.798 31.887 1.00 13.50 H new ATOM 0 HB2 ASN A 403 54.584 46.474 29.915 1.00 19.69 H new ATOM 0 HB3 ASN A 403 55.414 45.877 31.093 1.00 19.69 H new ATOM 0 HD21 ASN A 403 54.983 42.565 29.913 1.00 22.85 H new ATOM 0 HD22 ASN A 403 54.633 43.284 31.170 1.00 22.85 H new ATOM 1769 N ASER A 404 52.081 47.144 32.718 0.33 15.89 N ANISOU 1769 N ASER A 404 2305 1797 1937 402 116 -260 N ATOM 1770 N BSER A 404 52.088 47.119 32.746 0.67 15.41 N ANISOU 1770 N BSER A 404 2246 1735 1876 405 115 -260 N ATOM 1771 CA ASER A 404 51.868 48.266 33.625 0.33 15.87 C ANISOU 1771 CA ASER A 404 2205 1844 1982 342 64 -222 C ATOM 1772 CA BSER A 404 51.879 48.252 33.633 0.67 15.95 C ANISOU 1772 CA BSER A 404 2215 1854 1992 344 64 -222 C ATOM 1773 C ASER A 404 51.553 47.771 35.032 0.33 16.63 C ANISOU 1773 C ASER A 404 2385 1872 2063 399 12 -196 C ATOM 1774 C BSER A 404 51.537 47.775 35.036 0.67 16.75 C ANISOU 1774 C BSER A 404 2401 1886 2078 398 12 -195 C ATOM 1775 O ASER A 404 51.029 46.671 35.220 0.33 18.78 O ANISOU 1775 O ASER A 404 2803 2034 2299 423 29 -182 O ATOM 1776 O BSER A 404 50.982 46.687 35.227 0.67 19.50 O ANISOU 1776 O BSER A 404 2895 2123 2390 418 29 -180 O ATOM 1777 CB ASER A 404 50.738 49.170 33.117 0.33 15.74 C ANISOU 1777 CB ASER A 404 2175 1839 1965 190 72 -191 C ATOM 1778 CB BSER A 404 50.777 49.157 33.084 0.67 15.84 C ANISOU 1778 CB BSER A 404 2187 1853 1978 193 74 -192 C ATOM 1779 OG ASER A 404 49.465 48.575 33.305 0.33 10.66 O ANISOU 1779 OG ASER A 404 1652 1106 1291 127 63 -170 O ATOM 1780 OG BSER A 404 51.111 49.585 31.778 0.67 21.63 O ANISOU 1780 OG BSER A 404 2863 2653 2704 166 131 -203 O ATOM 0 H ASER A 404 51.360 46.746 32.469 0.33 15.41 H new ATOM 0 H BSER A 404 51.370 46.698 32.529 0.67 15.41 H new ATOM 0 HA ASER A 404 52.687 48.784 33.656 0.33 15.95 H new ATOM 0 HA BSER A 404 52.701 48.765 33.681 0.67 15.95 H new ATOM 0 HB2ASER A 404 50.770 50.020 33.582 0.33 15.84 H new ATOM 0 HB2BSER A 404 49.933 48.680 33.070 0.67 15.84 H new ATOM 0 HB3ASER A 404 50.872 49.357 32.175 0.33 15.84 H new ATOM 0 HB3BSER A 404 50.659 49.925 33.664 0.67 15.84 H new ATOM 0 HG ASER A 404 49.208 48.229 32.584 0.33 21.63 H new ATOM 0 HG BSER A 404 50.808 49.038 31.217 0.67 21.63 H new ATOM 1791 N ARG A 405 51.889 48.597 36.016 1.00 14.30 N ANISOU 1791 N ARG A 405 2004 1635 1793 423 -50 -189 N ATOM 1792 CA ARG A 405 51.660 48.280 37.414 1.00 13.09 C ANISOU 1792 CA ARG A 405 1932 1441 1598 505 -101 -160 C ATOM 1793 C ARG A 405 51.620 49.584 38.189 1.00 11.52 C ANISOU 1793 C ARG A 405 1647 1311 1420 474 -171 -167 C ATOM 1794 O ARG A 405 51.894 50.655 37.641 1.00 13.91 O ANISOU 1794 O ARG A 405 1822 1674 1787 389 -180 -194 O ATOM 1795 CB ARG A 405 52.761 47.373 37.958 1.00 14.20 C ANISOU 1795 CB ARG A 405 2097 1584 1714 689 -132 -181 C ATOM 1796 CG ARG A 405 54.129 48.008 37.875 1.00 12.43 C ANISOU 1796 CG ARG A 405 1687 1487 1550 748 -190 -241 C ATOM 1797 CD ARG A 405 55.246 47.033 38.183 1.00 13.86 C ANISOU 1797 CD ARG A 405 1870 1687 1708 945 -215 -262 C ATOM 1798 NE ARG A 405 56.535 47.608 37.818 1.00 16.95 N ANISOU 1798 NE ARG A 405 2042 2213 2185 975 -247 -316 N ATOM 1799 CZ ARG A 405 57.247 48.424 38.585 1.00 17.73 C ANISOU 1799 CZ ARG A 405 1987 2412 2336 999 -363 -358 C ATOM 1800 NH1 ARG A 405 56.823 48.766 39.797 1.00 19.45 N ANISOU 1800 NH1 ARG A 405 2273 2617 2502 1021 -464 -362 N ATOM 1801 NH2 ARG A 405 58.404 48.892 38.136 1.00 21.56 N ANISOU 1801 NH2 ARG A 405 2249 3014 2929 1002 -377 -400 N ATOM 0 H AARG A 405 52.259 49.363 35.887 0.33 14.30 H new ATOM 0 H BARG A 405 52.269 49.357 35.886 0.67 14.30 H new ATOM 0 HA ARG A 405 50.820 47.804 37.509 1.00 13.09 H new ATOM 0 HB2 ARG A 405 52.566 47.152 38.882 1.00 14.20 H new ATOM 0 HB3 ARG A 405 52.764 46.540 37.461 1.00 14.20 H new ATOM 0 HG2 ARG A 405 54.259 48.372 36.985 1.00 12.43 H new ATOM 0 HG3 ARG A 405 54.174 48.752 38.496 1.00 12.43 H new ATOM 0 HD2 ARG A 405 55.239 46.812 39.127 1.00 13.86 H new ATOM 0 HD3 ARG A 405 55.105 46.206 37.697 1.00 13.86 H new ATOM 0 HE ARG A 405 56.858 47.403 37.048 1.00 16.95 H new ATOM 0 HH11 ARG A 405 56.077 48.458 40.095 1.00 19.45 H new ATOM 0 HH12 ARG A 405 57.294 49.296 40.284 1.00 19.45 H new ATOM 0 HH21 ARG A 405 58.685 48.666 37.355 1.00 21.56 H new ATOM 0 HH22 ARG A 405 58.873 49.421 38.625 1.00 21.56 H new ATOM 1815 N VAL A 406 51.279 49.488 39.462 1.00 12.27 N ANISOU 1815 N VAL A 406 1825 1384 1454 552 -214 -140 N ATOM 1816 CA VAL A 406 51.149 50.657 40.319 1.00 11.67 C ANISOU 1816 CA VAL A 406 1706 1355 1371 547 -288 -160 C ATOM 1817 C VAL A 406 52.242 50.598 41.382 1.00 13.28 C ANISOU 1817 C VAL A 406 1887 1615 1542 708 -404 -215 C ATOM 1818 O VAL A 406 52.395 49.572 42.049 1.00 13.94 O ANISOU 1818 O VAL A 406 2080 1672 1545 852 -408 -183 O ATOM 1819 CB VAL A 406 49.756 50.709 40.961 1.00 10.77 C ANISOU 1819 CB VAL A 406 1712 1190 1190 523 -241 -85 C ATOM 1820 CG1 VAL A 406 49.591 51.978 41.753 1.00 12.53 C ANISOU 1820 CG1 VAL A 406 1908 1457 1395 532 -311 -117 C ATOM 1821 CG2 VAL A 406 48.661 50.562 39.910 1.00 16.48 C ANISOU 1821 CG2 VAL A 406 2446 1867 1949 375 -143 -32 C ATOM 0 H VAL A 406 51.115 48.742 39.857 1.00 12.27 H new ATOM 0 HA VAL A 406 51.251 51.465 39.793 1.00 11.67 H new ATOM 0 HB VAL A 406 49.672 49.960 41.572 1.00 10.77 H new ATOM 0 HG11 VAL A 406 48.707 51.998 42.153 1.00 12.53 H new ATOM 0 HG12 VAL A 406 50.262 52.013 42.452 1.00 12.53 H new ATOM 0 HG13 VAL A 406 49.697 52.742 41.165 1.00 12.53 H new ATOM 0 HG21 VAL A 406 47.792 50.598 40.340 1.00 16.48 H new ATOM 0 HG22 VAL A 406 48.732 51.283 39.265 1.00 16.48 H new ATOM 0 HG23 VAL A 406 48.761 49.711 39.455 1.00 16.48 H new ATOM 1831 N ASP A 407 53.001 51.680 41.550 1.00 15.30 N ANISOU 1831 N ASP A 407 2006 1944 1862 687 -505 -297 N ATOM 1832 CA ASP A 407 54.031 51.701 42.593 1.00 18.13 C ANISOU 1832 CA ASP A 407 2324 2371 2192 836 -651 -370 C ATOM 1833 C ASP A 407 53.480 52.228 43.939 1.00 19.62 C ANISOU 1833 C ASP A 407 2628 2558 2270 913 -733 -386 C ATOM 1834 O ASP A 407 52.281 52.426 44.095 1.00 18.57 O ANISOU 1834 O ASP A 407 2607 2368 2079 870 -656 -321 O ATOM 1835 CB ASP A 407 55.264 52.505 42.135 1.00 24.63 C ANISOU 1835 CB ASP A 407 2921 3277 3162 774 -734 -463 C ATOM 1836 CG ASP A 407 55.053 54.017 42.145 1.00 22.27 C ANISOU 1836 CG ASP A 407 2548 2968 2947 630 -785 -517 C ATOM 1837 OD1 ASP A 407 54.057 54.524 42.705 1.00 22.06 O ANISOU 1837 OD1 ASP A 407 2647 2890 2846 616 -787 -502 O ATOM 1838 OD2 ASP A 407 55.942 54.715 41.606 1.00 22.89 O ANISOU 1838 OD2 ASP A 407 2437 3087 3175 536 -820 -572 O ATOM 0 H ASP A 407 52.940 52.399 41.082 1.00 15.30 H new ATOM 0 HA ASP A 407 54.311 50.784 42.743 1.00 18.13 H new ATOM 0 HB2 ASP A 407 56.013 52.288 42.711 1.00 24.63 H new ATOM 0 HB3 ASP A 407 55.506 52.227 41.238 1.00 24.63 H new ATOM 1843 N ASER A 408 54.368 52.457 44.902 0.42 27.18 N ANISOU 1843 N ASER A 408 3558 3571 3199 983 -837 -471 N ATOM 1844 N BSER A 408 54.379 52.444 44.896 0.58 27.65 N ANISOU 1844 N BSER A 408 3617 3631 3259 984 -836 -471 N ATOM 1845 CA ASER A 408 53.945 52.721 46.276 0.42 28.37 C ANISOU 1845 CA ASER A 408 3849 3713 3219 1071 -869 -492 C ATOM 1846 CA BSER A 408 53.995 52.746 46.273 0.58 28.26 C ANISOU 1846 CA BSER A 408 3827 3700 3208 1070 -874 -496 C ATOM 1847 C ASER A 408 53.291 54.091 46.483 0.42 29.34 C ANISOU 1847 C ASER A 408 3978 3806 3365 993 -904 -536 C ATOM 1848 C BSER A 408 53.235 54.061 46.437 0.58 29.43 C ANISOU 1848 C BSER A 408 3992 3815 3376 990 -897 -530 C ATOM 1849 O ASER A 408 52.629 54.309 47.498 0.42 32.10 O ANISOU 1849 O ASER A 408 4464 4134 3598 1074 -892 -532 O ATOM 1850 O BSER A 408 52.447 54.212 47.372 0.58 31.24 O ANISOU 1850 O BSER A 408 4365 4019 3486 1065 -868 -510 O ATOM 1851 CB ASER A 408 55.141 52.579 47.222 0.42 30.29 C ANISOU 1851 CB ASER A 408 4060 4020 3428 1187 -983 -583 C ATOM 1852 CB BSER A 408 55.242 52.769 47.157 0.58 30.68 C ANISOU 1852 CB BSER A 408 4082 4073 3501 1169 -999 -600 C ATOM 1853 OG ASER A 408 56.170 53.494 46.895 0.42 28.28 O ANISOU 1853 OG ASER A 408 3613 3808 3324 1100 -1095 -690 O ATOM 1854 OG BSER A 408 55.795 51.471 47.283 0.58 33.88 O ANISOU 1854 OG BSER A 408 4523 4508 3842 1284 -969 -556 O ATOM 0 H ASER A 408 55.220 52.464 44.782 0.42 27.65 H new ATOM 0 H BSER A 408 55.229 52.420 44.766 0.58 27.65 H new ATOM 0 HA ASER A 408 53.262 52.062 46.475 0.42 28.26 H new ATOM 0 HA BSER A 408 53.384 52.043 46.543 0.58 28.26 H new ATOM 0 HB2ASER A 408 54.852 52.728 48.136 0.42 30.68 H new ATOM 0 HB2BSER A 408 55.902 53.370 46.777 0.58 30.68 H new ATOM 0 HB3ASER A 408 55.485 51.673 47.177 0.42 30.68 H new ATOM 0 HB3BSER A 408 55.015 53.115 48.034 0.58 30.68 H new ATOM 0 HG ASER A 408 56.812 53.397 47.428 0.42 33.88 H new ATOM 0 HG BSER A 408 56.479 51.504 47.770 0.58 33.88 H new ATOM 1865 N SER A 409 53.465 55.009 45.537 1.00 26.83 N ANISOU 1865 N SER A 409 3518 3480 3196 842 -934 -576 N ATOM 1866 CA SER A 409 52.811 56.317 45.624 1.00 26.62 C ANISOU 1866 CA SER A 409 3510 3406 3199 759 -953 -610 C ATOM 1867 C SER A 409 51.502 56.333 44.848 1.00 25.90 C ANISOU 1867 C SER A 409 3479 3272 3089 682 -832 -505 C ATOM 1868 O SER A 409 50.770 57.327 44.849 1.00 28.91 O ANISOU 1868 O SER A 409 3897 3609 3480 620 -812 -510 O ATOM 1869 CB SER A 409 53.739 57.417 45.110 1.00 34.15 C ANISOU 1869 CB SER A 409 4286 4352 4337 615 -1027 -702 C ATOM 1870 OG SER A 409 53.968 57.286 43.718 1.00 35.82 O ANISOU 1870 OG SER A 409 4359 4573 4679 484 -960 -660 O ATOM 0 H ASER A 409 53.955 54.898 44.839 0.42 26.83 H new ATOM 0 H BSER A 409 53.996 54.919 44.866 0.58 26.83 H new ATOM 0 HA SER A 409 52.611 56.485 46.558 1.00 26.62 H new ATOM 0 HB2 SER A 409 53.349 58.285 45.296 1.00 34.15 H new ATOM 0 HB3 SER A 409 54.584 57.378 45.584 1.00 34.15 H new ATOM 0 HG SER A 409 53.967 56.472 43.509 1.00 35.82 H new ATOM 1876 N GLY A 410 51.200 55.220 44.192 1.00 20.87 N ANISOU 1876 N GLY A 410 2857 2630 2444 670 -705 -401 N ATOM 1877 CA GLY A 410 50.017 55.132 43.371 1.00 19.04 C ANISOU 1877 CA GLY A 410 2660 2351 2225 562 -551 -296 C ATOM 1878 C GLY A 410 50.267 55.500 41.925 1.00 18.34 C ANISOU 1878 C GLY A 410 2437 2255 2276 398 -498 -293 C ATOM 1879 O GLY A 410 49.339 55.536 41.123 1.00 19.39 O ANISOU 1879 O GLY A 410 2584 2362 2422 305 -392 -220 O ATOM 0 H GLY A 410 51.675 54.503 44.214 1.00 20.87 H new ATOM 0 HA2 GLY A 410 49.668 54.228 43.413 1.00 19.04 H new ATOM 0 HA3 GLY A 410 49.334 55.717 43.734 1.00 19.04 H new ATOM 1883 N ARG A 411 51.527 55.734 41.567 1.00 15.94 N ANISOU 1883 N ARG A 411 1996 1985 2074 370 -566 -366 N ATOM 1884 CA ARG A 411 51.850 56.067 40.184 1.00 12.19 C ANISOU 1884 CA ARG A 411 1398 1511 1721 232 -493 -348 C ATOM 1885 C ARG A 411 51.871 54.832 39.289 1.00 12.50 C ANISOU 1885 C ARG A 411 1446 1564 1741 240 -392 -289 C ATOM 1886 O ARG A 411 52.285 53.753 39.698 1.00 14.50 O ANISOU 1886 O ARG A 411 1739 1831 1940 353 -410 -293 O ATOM 1887 CB ARG A 411 53.187 56.806 40.132 1.00 17.13 C ANISOU 1887 CB ARG A 411 1855 2169 2482 190 -583 -435 C ATOM 1888 CG ARG A 411 53.014 58.220 40.627 1.00 23.67 C ANISOU 1888 CG ARG A 411 2682 2946 3365 126 -661 -494 C ATOM 1889 CD ARG A 411 54.289 58.975 40.842 1.00 32.45 C ANISOU 1889 CD ARG A 411 3634 4071 4624 74 -781 -599 C ATOM 1890 NE ARG A 411 53.963 60.386 41.035 1.00 36.95 N ANISOU 1890 NE ARG A 411 4244 4550 5246 -14 -792 -619 N ATOM 1891 CZ ARG A 411 53.515 60.903 42.175 1.00 36.84 C ANISOU 1891 CZ ARG A 411 4356 4495 5146 61 -880 -679 C ATOM 1892 NH1 ARG A 411 53.360 60.134 43.246 1.00 28.05 N ANISOU 1892 NH1 ARG A 411 3345 3429 3883 223 -952 -711 N ATOM 1893 NH2 ARG A 411 53.234 62.195 42.251 1.00 40.64 N ANISOU 1893 NH2 ARG A 411 4873 4887 5683 -12 -885 -698 N ATOM 0 H ARG A 411 52.200 55.706 42.101 1.00 15.94 H new ATOM 0 HA ARG A 411 51.152 56.647 39.842 1.00 12.19 H new ATOM 0 HB2 ARG A 411 53.843 56.343 40.676 1.00 17.13 H new ATOM 0 HB3 ARG A 411 53.526 56.813 39.223 1.00 17.13 H new ATOM 0 HG2 ARG A 411 52.469 58.707 39.990 1.00 23.67 H new ATOM 0 HG3 ARG A 411 52.522 58.198 41.463 1.00 23.67 H new ATOM 0 HD2 ARG A 411 54.760 58.629 41.616 1.00 32.45 H new ATOM 0 HD3 ARG A 411 54.878 58.866 40.079 1.00 32.45 H new ATOM 0 HE ARG A 411 54.068 60.917 40.367 1.00 36.95 H new ATOM 0 HH11 ARG A 411 53.550 59.296 43.205 1.00 28.05 H new ATOM 0 HH12 ARG A 411 53.070 60.474 43.981 1.00 28.05 H new ATOM 0 HH21 ARG A 411 53.341 62.700 41.563 1.00 40.64 H new ATOM 0 HH22 ARG A 411 52.944 62.529 42.988 1.00 40.64 H new ATOM 1907 N ILE A 412 51.381 55.002 38.068 1.00 11.54 N ANISOU 1907 N ILE A 412 1306 1429 1651 133 -290 -236 N ATOM 1908 CA ILE A 412 51.382 53.941 37.073 1.00 12.53 C ANISOU 1908 CA ILE A 412 1451 1558 1753 134 -202 -201 C ATOM 1909 C ILE A 412 52.742 53.879 36.409 1.00 17.68 C ANISOU 1909 C ILE A 412 1966 2268 2486 146 -190 -235 C ATOM 1910 O ILE A 412 53.210 54.865 35.847 1.00 20.22 O ANISOU 1910 O ILE A 412 2169 2614 2901 63 -171 -237 O ATOM 1911 CB ILE A 412 50.279 54.165 36.037 1.00 12.44 C ANISOU 1911 CB ILE A 412 1479 1525 1721 33 -117 -141 C ATOM 1912 CG1 ILE A 412 48.916 54.110 36.720 1.00 13.56 C ANISOU 1912 CG1 ILE A 412 1729 1626 1796 29 -119 -99 C ATOM 1913 CG2 ILE A 412 50.366 53.133 34.915 1.00 12.61 C ANISOU 1913 CG2 ILE A 412 1528 1551 1713 35 -44 -132 C ATOM 1914 CD1 ILE A 412 47.850 54.869 35.983 1.00 16.93 C ANISOU 1914 CD1 ILE A 412 2154 2054 2224 -65 -74 -49 C ATOM 0 H ILE A 412 51.037 55.740 37.793 1.00 11.54 H new ATOM 0 HA ILE A 412 51.203 53.094 37.511 1.00 12.53 H new ATOM 0 HB ILE A 412 50.397 55.042 35.639 1.00 12.44 H new ATOM 0 HG12 ILE A 412 48.642 53.183 36.807 1.00 13.56 H new ATOM 0 HG13 ILE A 412 48.997 54.468 37.618 1.00 13.56 H new ATOM 0 HG21 ILE A 412 49.659 53.294 34.271 1.00 12.61 H new ATOM 0 HG22 ILE A 412 51.227 53.206 34.474 1.00 12.61 H new ATOM 0 HG23 ILE A 412 50.268 52.242 35.286 1.00 12.61 H new ATOM 0 HD11 ILE A 412 47.010 54.797 36.464 1.00 16.93 H new ATOM 0 HD12 ILE A 412 48.105 55.802 35.916 1.00 16.93 H new ATOM 0 HD13 ILE A 412 47.745 54.498 35.093 1.00 16.93 H new ATOM 1926 N VAL A 413 53.355 52.706 36.475 1.00 15.60 N ANISOU 1926 N VAL A 413 1721 2019 2188 256 -188 -252 N ATOM 1927 CA VAL A 413 54.657 52.455 35.893 1.00 14.38 C ANISOU 1927 CA VAL A 413 1432 1934 2098 303 -164 -278 C ATOM 1928 C VAL A 413 54.505 51.394 34.824 1.00 13.72 C ANISOU 1928 C VAL A 413 1429 1832 1951 338 -57 -254 C ATOM 1929 O VAL A 413 53.830 50.394 35.030 1.00 14.03 O ANISOU 1929 O VAL A 413 1625 1800 1904 387 -51 -244 O ATOM 1930 CB VAL A 413 55.669 52.001 36.973 1.00 21.08 C ANISOU 1930 CB VAL A 413 2225 2829 2956 445 -271 -333 C ATOM 1931 CG1 VAL A 413 56.969 51.517 36.344 1.00 26.87 C ANISOU 1931 CG1 VAL A 413 2815 3645 3749 524 -232 -351 C ATOM 1932 CG2 VAL A 413 55.928 53.138 37.950 1.00 28.72 C ANISOU 1932 CG2 VAL A 413 3105 3820 3989 406 -399 -385 C ATOM 0 H VAL A 413 53.016 52.021 36.869 1.00 15.60 H new ATOM 0 HA VAL A 413 55.002 53.273 35.501 1.00 14.38 H new ATOM 0 HB VAL A 413 55.286 51.253 37.458 1.00 21.08 H new ATOM 0 HG11 VAL A 413 57.583 51.240 37.042 1.00 26.87 H new ATOM 0 HG12 VAL A 413 56.785 50.766 35.758 1.00 26.87 H new ATOM 0 HG13 VAL A 413 57.368 52.237 35.831 1.00 26.87 H new ATOM 0 HG21 VAL A 413 56.562 52.848 38.624 1.00 28.72 H new ATOM 0 HG22 VAL A 413 56.291 53.900 37.472 1.00 28.72 H new ATOM 0 HG23 VAL A 413 55.096 53.393 38.378 1.00 28.72 H new ATOM 1942 N ATHR A 414 55.164 51.605 33.695 0.82 18.51 N ANISOU 1942 N ATHR A 414 1932 2498 2603 318 30 -245 N ATOM 1943 N BTHR A 414 55.125 51.616 33.671 0.18 17.78 N ANISOU 1943 N BTHR A 414 1843 2404 2509 314 32 -244 N ATOM 1944 CA ATHR A 414 55.169 50.625 32.622 0.82 20.04 C ANISOU 1944 CA ATHR A 414 2208 2685 2723 377 127 -241 C ATOM 1945 CA BTHR A 414 55.163 50.599 32.628 0.18 20.45 C ANISOU 1945 CA BTHR A 414 2263 2735 2773 379 126 -242 C ATOM 1946 C ATHR A 414 56.604 50.173 32.386 0.82 23.18 C ANISOU 1946 C ATHR A 414 2479 3167 3163 505 165 -264 C ATOM 1947 C BTHR A 414 56.601 50.170 32.402 0.18 22.83 C ANISOU 1947 C BTHR A 414 2435 3121 3118 505 163 -264 C ATOM 1948 O ATHR A 414 57.505 50.994 32.219 0.82 26.56 O ANISOU 1948 O ATHR A 414 2708 3684 3700 474 186 -253 O ATOM 1949 O BTHR A 414 57.494 51.002 32.241 0.18 25.48 O ANISOU 1949 O BTHR A 414 2573 3546 3563 473 184 -254 O ATOM 1950 CB ATHR A 414 54.548 51.207 31.336 0.82 22.13 C ANISOU 1950 CB ATHR A 414 2492 2957 2958 272 219 -201 C ATOM 1951 CB BTHR A 414 54.566 51.096 31.301 0.18 21.86 C ANISOU 1951 CB BTHR A 414 2466 2921 2917 281 222 -204 C ATOM 1952 OG1ATHR A 414 53.226 51.683 31.624 0.82 21.49 O ANISOU 1952 OG1ATHR A 414 2501 2814 2848 166 173 -178 O ATOM 1953 OG1BTHR A 414 55.487 51.991 30.664 0.18 21.72 O ANISOU 1953 OG1BTHR A 414 2275 2993 2985 252 296 -173 O ATOM 1954 CG2ATHR A 414 54.482 50.158 30.246 0.82 24.67 C ANISOU 1954 CG2ATHR A 414 2929 3267 3176 345 298 -220 C ATOM 1955 CG2BTHR A 414 53.250 51.806 31.550 0.18 21.32 C ANISOU 1955 CG2BTHR A 414 2468 2799 2832 157 179 -174 C ATOM 0 H ATHR A 414 55.619 52.316 33.530 0.82 17.78 H new ATOM 0 H BTHR A 414 55.530 52.348 33.473 0.18 17.78 H new ATOM 0 HA ATHR A 414 54.627 49.862 32.875 0.82 20.45 H new ATOM 0 HA BTHR A 414 54.623 49.851 32.928 0.18 20.45 H new ATOM 0 HB ATHR A 414 55.105 51.938 31.024 0.82 21.86 H new ATOM 0 HB BTHR A 414 54.405 50.334 30.723 0.18 21.86 H new ATOM 0 HG1ATHR A 414 53.020 52.286 31.077 0.82 21.72 H new ATOM 0 HG1BTHR A 414 55.376 51.963 29.832 0.18 21.72 H new ATOM 0 HG21ATHR A 414 54.089 50.545 29.448 0.82 21.32 H new ATOM 0 HG21BTHR A 414 52.884 52.114 30.706 0.18 21.32 H new ATOM 0 HG22ATHR A 414 55.377 49.843 30.045 0.82 21.32 H new ATOM 0 HG22BTHR A 414 52.625 51.193 31.968 0.18 21.32 H new ATOM 0 HG23ATHR A 414 53.937 49.413 30.546 0.82 21.32 H new ATOM 0 HG23BTHR A 414 53.398 52.566 32.135 0.18 21.32 H new ATOM 1970 N ASP A 415 56.817 48.862 32.396 1.00 19.39 N ANISOU 1970 N ASP A 415 2107 2651 2608 649 176 -291 N ATOM 1971 CA ASP A 415 58.151 48.312 32.253 1.00 24.32 C ANISOU 1971 CA ASP A 415 2619 3359 3262 809 212 -312 C ATOM 1972 C ASP A 415 58.434 48.003 30.790 1.00 36.11 C ANISOU 1972 C ASP A 415 4124 4890 4706 851 359 -304 C ATOM 1973 O ASP A 415 59.581 47.781 30.404 1.00 41.27 O ANISOU 1973 O ASP A 415 4644 5641 5393 973 430 -305 O ATOM 1974 CB ASP A 415 58.305 47.050 33.108 1.00 21.92 C ANISOU 1974 CB ASP A 415 2441 2990 2896 980 148 -341 C ATOM 1975 CG ASP A 415 58.053 47.308 34.587 1.00 25.65 C ANISOU 1975 CG ASP A 415 2922 3439 3384 974 9 -342 C ATOM 1976 OD1 ASP A 415 58.824 48.075 35.206 1.00 23.73 O ANISOU 1976 OD1 ASP A 415 2488 3298 3230 975 -72 -360 O ATOM 1977 OD2 ASP A 415 57.085 46.736 35.128 1.00 24.37 O ANISOU 1977 OD2 ASP A 415 2958 3156 3145 970 -19 -327 O ATOM 1978 OXT ASP A 415 57.517 47.972 29.967 1.00 31.35 O ANISOU 1978 OXT ASP A 415 3662 4229 4022 776 409 -298 O ATOM 0 H AASP A 415 56.196 48.274 32.485 0.82 19.39 H new ATOM 0 H BASP A 415 56.196 48.272 32.474 0.18 19.39 H new ATOM 0 HA ASP A 415 58.794 48.969 32.562 1.00 24.32 H new ATOM 0 HB2 ASP A 415 57.687 46.372 32.792 1.00 21.92 H new ATOM 0 HB3 ASP A 415 59.200 46.694 32.994 1.00 21.92 H new TER 1983 ASP A 415 ATOM 1984 N TYR B 4 37.441 45.210 24.035 1.00 95.04 N ANISOU 1984 N TYR B 4 13029 8537 14546 -436 1072 -441 N ATOM 1985 CA TYR B 4 38.209 46.433 24.214 1.00 73.00 C ANISOU 1985 CA TYR B 4 10306 6309 11122 -275 1106 -340 C ATOM 1986 C TYR B 4 37.923 47.488 23.148 1.00 68.53 C ANISOU 1986 C TYR B 4 9584 6037 10417 -337 718 -580 C ATOM 1987 O TYR B 4 37.787 47.172 21.967 1.00 67.36 O ANISOU 1987 O TYR B 4 9455 5819 10320 -329 336 -902 O ATOM 1988 CB TYR B 4 39.691 46.083 24.218 1.00 62.17 C ANISOU 1988 CB TYR B 4 9282 5163 9176 26 1143 -319 C ATOM 1989 CG TYR B 4 40.601 47.223 23.852 1.00 53.70 C ANISOU 1989 CG TYR B 4 8253 4629 7523 187 1005 -335 C ATOM 1990 CD1 TYR B 4 40.917 48.200 24.779 1.00 46.32 C ANISOU 1990 CD1 TYR B 4 7261 3982 6358 249 1215 -105 C ATOM 1991 CD2 TYR B 4 41.151 47.307 22.586 1.00 50.48 C ANISOU 1991 CD2 TYR B 4 7934 4423 6822 310 666 -570 C ATOM 1992 CE1 TYR B 4 41.759 49.239 24.467 1.00 37.78 C ANISOU 1992 CE1 TYR B 4 6172 3327 4857 373 1082 -106 C ATOM 1993 CE2 TYR B 4 42.007 48.347 22.243 1.00 38.08 C ANISOU 1993 CE2 TYR B 4 6362 3318 4789 459 590 -517 C ATOM 1994 CZ TYR B 4 42.305 49.318 23.201 1.00 33.93 C ANISOU 1994 CZ TYR B 4 5738 3021 4132 460 795 -282 C ATOM 1995 OH TYR B 4 43.146 50.368 22.927 1.00 32.28 O ANISOU 1995 OH TYR B 4 5476 3210 3580 579 717 -213 O ATOM 0 HA TYR B 4 37.942 46.825 25.060 1.00 73.00 H new ATOM 0 HB2 TYR B 4 39.933 45.761 25.100 1.00 62.17 H new ATOM 0 HB3 TYR B 4 39.841 45.352 23.598 1.00 62.17 H new ATOM 0 HD1 TYR B 4 40.551 48.152 25.633 1.00 46.32 H new ATOM 0 HD2 TYR B 4 40.945 46.657 21.954 1.00 50.48 H new ATOM 0 HE1 TYR B 4 41.960 49.886 25.104 1.00 37.78 H new ATOM 0 HE2 TYR B 4 42.375 48.395 21.390 1.00 38.08 H new ATOM 0 HH TYR B 4 43.415 50.312 22.133 1.00 32.28 H new ATOM 2005 N LYS B 5 37.840 48.745 23.579 1.00 66.26 N ANISOU 2005 N LYS B 5 9159 6076 9941 -356 810 -426 N ATOM 2006 CA LYS B 5 37.618 49.868 22.672 1.00 56.46 C ANISOU 2006 CA LYS B 5 7774 5134 8543 -390 497 -588 C ATOM 2007 C LYS B 5 38.269 51.138 23.224 1.00 43.06 C ANISOU 2007 C LYS B 5 6067 3853 6439 -285 621 -383 C ATOM 2008 O LYS B 5 38.155 51.433 24.415 1.00 34.09 O ANISOU 2008 O LYS B 5 4887 2721 5343 -284 911 -154 O ATOM 2009 CB LYS B 5 36.120 50.092 22.453 1.00 54.82 C ANISOU 2009 CB LYS B 5 7248 4707 8875 -653 373 -699 C ATOM 0 H LYS B 5 37.911 48.970 24.406 1.00 66.26 H new ATOM 0 HA LYS B 5 38.027 49.657 21.818 1.00 56.46 H new ATOM 2012 N GLN B 6 38.962 51.878 22.362 1.00 37.74 N ANISOU 2012 N GLN B 6 5431 3515 5393 -162 398 -461 N ATOM 2013 CA GLN B 6 39.588 53.136 22.765 1.00 32.87 C ANISOU 2013 CA GLN B 6 4757 3245 4488 -83 456 -289 C ATOM 2014 C GLN B 6 39.272 54.232 21.756 1.00 31.34 C ANISOU 2014 C GLN B 6 4398 3272 4236 -121 192 -376 C ATOM 2015 O GLN B 6 39.329 54.016 20.546 1.00 29.92 O ANISOU 2015 O GLN B 6 4271 3146 3950 -38 -40 -543 O ATOM 2016 CB GLN B 6 41.106 52.970 22.918 1.00 28.85 C ANISOU 2016 CB GLN B 6 4452 2934 3577 159 536 -186 C ATOM 2017 CG GLN B 6 41.840 54.270 23.210 1.00 28.12 C ANISOU 2017 CG GLN B 6 4255 3158 3273 238 529 -40 C ATOM 2018 CD GLN B 6 43.185 54.093 23.904 1.00 30.93 C ANISOU 2018 CD GLN B 6 4752 3637 3364 452 664 84 C ATOM 2019 OE1 GLN B 6 43.814 55.078 24.301 1.00 28.72 O ANISOU 2019 OE1 GLN B 6 4364 3554 2996 519 640 184 O ATOM 2020 NE2 GLN B 6 43.659 52.847 24.007 1.00 31.21 N ANISOU 2020 NE2 GLN B 6 5016 3545 3296 573 774 60 N ATOM 0 H GLN B 6 39.082 51.669 21.536 1.00 37.74 H new ATOM 0 HA GLN B 6 39.225 53.392 23.627 1.00 32.87 H new ATOM 0 HB2 GLN B 6 41.283 52.340 23.634 1.00 28.85 H new ATOM 0 HB3 GLN B 6 41.464 52.582 22.104 1.00 28.85 H new ATOM 0 HG2 GLN B 6 41.979 54.744 22.375 1.00 28.12 H new ATOM 0 HG3 GLN B 6 41.274 54.830 23.764 1.00 28.12 H new ATOM 0 HE21 GLN B 6 43.192 52.184 23.719 1.00 31.21 H new ATOM 0 HE22 GLN B 6 44.430 52.708 24.361 1.00 31.21 H new ATOM 2029 N ATHR B 7 38.948 55.415 22.266 0.74 26.73 N ANISOU 2029 N ATHR B 7 3635 2821 3700 -199 226 -261 N ATOM 2030 N BTHR B 7 38.927 55.411 22.259 0.26 26.76 N ANISOU 2030 N BTHR B 7 3637 2822 3708 -202 224 -264 N ATOM 2031 CA ATHR B 7 38.502 56.522 21.425 0.74 26.15 C ANISOU 2031 CA ATHR B 7 3390 2926 3619 -245 7 -313 C ATOM 2032 CA BTHR B 7 38.541 56.516 21.391 0.26 26.14 C ANISOU 2032 CA BTHR B 7 3394 2931 3607 -238 3 -314 C ATOM 2033 C ATHR B 7 39.085 57.852 21.886 0.74 24.22 C ANISOU 2033 C ATHR B 7 3045 2918 3240 -199 40 -130 C ATOM 2034 C BTHR B 7 39.110 57.841 21.878 0.26 24.01 C ANISOU 2034 C BTHR B 7 3022 2893 3207 -195 40 -129 C ATOM 2035 O ATHR B 7 39.267 58.071 23.079 0.74 22.98 O ANISOU 2035 O ATHR B 7 2882 2738 3111 -189 201 -18 O ATOM 2036 O BTHR B 7 39.312 58.042 23.074 0.26 22.98 O ANISOU 2036 O BTHR B 7 2890 2740 3103 -183 203 -17 O ATOM 2037 CB ATHR B 7 36.964 56.639 21.431 0.74 29.24 C ANISOU 2037 CB ATHR B 7 3583 3137 4390 -456 -65 -432 C ATOM 2038 CB BTHR B 7 37.011 56.663 21.299 0.26 28.93 C ANISOU 2038 CB BTHR B 7 3550 3117 4327 -444 -89 -443 C ATOM 2039 OG1ATHR B 7 36.378 55.343 21.260 0.74 30.72 O ANISOU 2039 OG1ATHR B 7 3813 3013 4847 -534 -82 -594 O ATOM 2040 OG1BTHR B 7 36.542 57.433 22.412 0.26 26.53 O ANISOU 2040 OG1BTHR B 7 3101 2819 4159 -535 71 -294 O ATOM 2041 CG2ATHR B 7 36.487 57.559 20.316 0.74 29.82 C ANISOU 2041 CG2ATHR B 7 3525 3383 4422 -456 -335 -540 C ATOM 2042 CG2BTHR B 7 36.324 55.303 21.305 0.26 31.18 C ANISOU 2042 CG2BTHR B 7 3865 3052 4929 -545 -73 -594 C ATOM 0 H ATHR B 7 38.980 55.599 23.105 0.74 26.76 H new ATOM 0 H BTHR B 7 38.910 55.592 23.100 0.26 26.76 H new ATOM 0 HA ATHR B 7 38.816 56.328 20.528 0.74 26.14 H new ATOM 0 HA BTHR B 7 38.904 56.304 20.517 0.26 26.14 H new ATOM 0 HB ATHR B 7 36.691 57.013 22.283 0.74 28.93 H new ATOM 0 HB BTHR B 7 36.797 57.110 20.465 0.26 28.93 H new ATOM 0 HG1ATHR B 7 35.541 55.411 21.265 0.74 26.53 H new ATOM 0 HG1BTHR B 7 35.939 57.959 22.155 0.26 26.53 H new ATOM 0 HG21ATHR B 7 35.519 57.619 20.337 0.74 31.18 H new ATOM 0 HG21BTHR B 7 35.364 55.425 21.246 0.26 31.18 H new ATOM 0 HG22ATHR B 7 36.868 58.442 20.440 0.74 31.18 H new ATOM 0 HG22BTHR B 7 36.630 54.782 20.546 0.26 31.18 H new ATOM 0 HG23ATHR B 7 36.770 57.203 19.459 0.74 31.18 H new ATOM 0 HG23BTHR B 7 36.540 54.835 22.126 0.26 31.18 H new ATOM 2057 N SER B 8 39.357 58.743 20.935 1.00 23.38 N ANISOU 2057 N SER B 8 2857 3024 3003 -139 -124 -101 N ATOM 2058 CA SER B 8 39.795 60.097 21.247 1.00 21.79 C ANISOU 2058 CA SER B 8 2508 2989 2784 -125 -137 65 C ATOM 2059 C SER B 8 38.584 61.005 21.410 1.00 24.27 C ANISOU 2059 C SER B 8 2635 3270 3316 -278 -222 22 C ATOM 2060 O SER B 8 37.640 60.928 20.620 1.00 23.84 O ANISOU 2060 O SER B 8 2529 3185 3344 -344 -350 -113 O ATOM 2061 CB SER B 8 40.701 60.649 20.139 1.00 21.90 C ANISOU 2061 CB SER B 8 2496 3225 2600 30 -218 192 C ATOM 2062 OG SER B 8 41.833 59.828 19.933 1.00 24.69 O ANISOU 2062 OG SER B 8 3008 3636 2736 201 -132 246 O ATOM 0 H ASER B 8 39.292 58.578 20.093 0.74 23.38 H new ATOM 0 H BSER B 8 39.275 58.586 20.093 0.26 23.38 H new ATOM 0 HA SER B 8 40.300 60.070 22.075 1.00 21.79 H new ATOM 0 HB2 SER B 8 40.197 60.719 19.313 1.00 21.90 H new ATOM 0 HB3 SER B 8 40.989 61.545 20.372 1.00 21.90 H new ATOM 0 HG SER B 8 42.360 59.910 20.582 1.00 24.69 H new ATOM 2068 N VAL B 9 38.614 61.873 22.418 1.00 20.45 N ANISOU 2068 N VAL B 9 2053 2797 2921 -301 -184 109 N ATOM 2069 CA VAL B 9 37.527 62.824 22.620 1.00 20.28 C ANISOU 2069 CA VAL B 9 1860 2766 3082 -410 -266 79 C ATOM 2070 C VAL B 9 38.061 64.235 22.793 1.00 19.28 C ANISOU 2070 C VAL B 9 1604 2750 2973 -363 -373 197 C ATOM 2071 O VAL B 9 37.267 65.184 22.784 1.00 20.43 O ANISOU 2071 O VAL B 9 1608 2907 3246 -429 -476 181 O ATOM 2072 CB VAL B 9 36.657 62.436 23.828 1.00 20.71 C ANISOU 2072 CB VAL B 9 1912 2669 3288 -462 -111 43 C ATOM 2073 CG1 VAL B 9 36.020 61.076 23.608 1.00 22.34 C ANISOU 2073 CG1 VAL B 9 2183 2697 3608 -547 -10 -51 C ATOM 2074 CG2 VAL B 9 37.486 62.439 25.104 1.00 20.12 C ANISOU 2074 CG2 VAL B 9 1936 2597 3110 -303 17 129 C ATOM 2075 OXT VAL B 9 39.262 64.445 22.951 1.00 18.86 O ANISOU 2075 OXT VAL B 9 1565 2751 2850 -262 -371 302 O ATOM 0 H VAL B 9 39.251 61.927 22.993 1.00 20.45 H new ATOM 0 HA VAL B 9 36.972 62.798 21.825 1.00 20.28 H new ATOM 0 HB VAL B 9 35.950 63.093 23.922 1.00 20.71 H new ATOM 0 HG11 VAL B 9 35.475 60.845 24.377 1.00 22.34 H new ATOM 0 HG12 VAL B 9 35.463 61.104 22.814 1.00 22.34 H new ATOM 0 HG13 VAL B 9 36.714 60.408 23.492 1.00 22.34 H new ATOM 0 HG21 VAL B 9 36.924 62.193 25.856 1.00 20.12 H new ATOM 0 HG22 VAL B 9 38.212 61.801 25.020 1.00 20.12 H new ATOM 0 HG23 VAL B 9 37.851 63.326 25.251 1.00 20.12 H new TER 2085 VAL B 9 HETATM 2086 O HOH A 501 28.456 62.736 18.918 1.00 49.42 O HETATM 2087 O HOH A 502 32.342 49.566 24.717 1.00 51.63 O HETATM 2088 O HOH A 503 36.217 51.375 39.307 1.00 41.16 O HETATM 2089 O HOH A 504 57.368 65.091 48.556 1.00 53.44 O HETATM 2090 O HOH A 505 45.362 74.969 34.336 1.00 24.03 O HETATM 2091 O HOH A 506 27.315 51.200 23.340 1.00 26.65 O HETATM 2092 O HOH A 507 25.995 68.043 20.433 1.00 40.44 O HETATM 2093 O HOH A 508 43.593 62.286 22.607 1.00 22.16 O HETATM 2094 O HOH A 509 36.053 50.898 41.662 1.00 85.00 O HETATM 2095 O AHOH A 510 41.685 50.329 42.683 0.59 21.40 O HETATM 2096 O BHOH A 510 42.425 51.310 41.164 0.41 12.71 O HETATM 2097 O HOH A 511 60.863 49.330 34.454 1.00 42.68 O HETATM 2098 O HOH A 512 55.816 52.645 28.219 1.00 27.10 O HETATM 2099 O HOH A 513 41.111 60.816 42.617 1.00 9.82 O HETATM 2100 O HOH A 514 48.444 49.746 44.351 1.00 22.93 O HETATM 2101 O HOH A 515 33.159 77.329 28.664 1.00 42.36 O HETATM 2102 O HOH A 516 25.488 53.919 36.233 1.00 23.83 O HETATM 2103 O HOH A 517 29.405 48.778 29.980 1.00 44.47 O HETATM 2104 O HOH A 518 37.478 48.251 36.370 1.00 28.06 O HETATM 2105 O HOH A 519 35.366 53.328 44.465 1.00 27.17 O HETATM 2106 O HOH A 520 24.111 57.354 32.467 1.00 20.94 O HETATM 2107 O HOH A 521 58.370 64.953 41.770 1.00 27.98 O HETATM 2108 O HOH A 522 29.298 68.905 39.769 1.00 29.42 O HETATM 2109 O HOH A 523 44.539 62.049 39.392 1.00 15.22 O HETATM 2110 O HOH A 524 22.637 54.774 21.510 1.00 20.03 O HETATM 2111 O HOH A 525 41.342 70.510 21.274 1.00 37.66 O HETATM 2112 O HOH A 526 38.497 72.465 36.997 1.00 27.40 O HETATM 2113 O HOH A 527 56.724 56.428 39.717 1.00 33.70 O HETATM 2114 O HOH A 528 37.133 60.317 18.051 1.00 33.13 O HETATM 2115 O HOH A 529 29.521 61.636 39.288 1.00 25.03 O HETATM 2116 O HOH A 530 47.458 57.071 45.396 1.00 26.50 O HETATM 2117 O HOH A 531 44.793 74.017 37.037 1.00 35.08 O HETATM 2118 O HOH A 532 53.048 54.150 29.336 1.00 20.98 O HETATM 2119 O HOH A 533 50.215 51.505 45.552 1.00 24.74 O HETATM 2120 O HOH A 534 39.756 69.516 40.074 1.00 19.89 O HETATM 2121 O HOH A 535 40.171 56.010 43.936 1.00 11.07 O HETATM 2122 O HOH A 536 30.239 72.831 20.036 1.00 20.37 O HETATM 2123 O HOH A 537 44.752 67.642 26.379 1.00 10.19 O HETATM 2124 O HOH A 538 28.043 72.545 28.462 1.00 40.00 O HETATM 2125 O HOH A 539 33.419 55.172 34.238 1.00 10.87 O HETATM 2126 O HOH A 540 26.786 64.901 27.228 1.00 28.78 O HETATM 2127 O HOH A 541 54.958 43.927 25.862 1.00 24.25 O HETATM 2128 O HOH A 542 55.458 44.747 34.223 1.00 30.63 O HETATM 2129 O HOH A 543 29.614 80.059 21.655 1.00 23.08 O HETATM 2130 O HOH A 544 28.700 48.299 38.434 1.00 55.28 O HETATM 2131 O HOH A 545 25.602 61.682 37.983 1.00 53.94 O HETATM 2132 O HOH A 546 54.492 47.912 41.396 1.00 16.04 O HETATM 2133 O HOH A 547 39.755 47.291 34.969 1.00 36.35 O HETATM 2134 O HOH A 548 51.791 51.148 26.366 1.00 13.24 O HETATM 2135 O HOH A 549 49.298 45.418 32.786 1.00 21.37 O HETATM 2136 O HOH A 550 26.249 52.908 21.247 1.00 29.10 O HETATM 2137 O HOH A 551 41.310 73.718 29.779 1.00 25.04 O HETATM 2138 O HOH A 552 29.642 65.529 35.944 1.00 14.87 O HETATM 2139 O HOH A 553 50.355 57.646 37.507 1.00 20.32 O HETATM 2140 O HOH A 554 49.126 58.777 35.707 1.00 29.53 O HETATM 2141 O HOH A 555 48.034 74.569 23.491 1.00 27.36 O HETATM 2142 O HOH A 556 35.146 54.392 40.930 1.00 39.27 O HETATM 2143 O HOH A 557 29.195 72.000 32.564 1.00 23.64 O HETATM 2144 O HOH A 558 31.627 50.943 32.223 1.00 24.26 O HETATM 2145 O HOH A 559 56.445 54.065 33.387 1.00 26.82 O HETATM 2146 O HOH A 560 29.883 69.375 22.453 1.00 21.50 O HETATM 2147 O HOH A 561 55.599 72.092 51.579 1.00 50.13 O HETATM 2148 O HOH A 562 45.801 42.702 32.037 1.00 27.00 O HETATM 2149 O HOH A 563 57.004 51.372 44.765 1.00 41.20 O HETATM 2150 O HOH A 564 43.989 73.530 23.792 1.00 33.13 O HETATM 2151 O HOH A 565 52.062 69.081 28.647 1.00 19.18 O HETATM 2152 O HOH A 566 45.685 67.494 33.022 1.00 17.71 O HETATM 2153 O HOH A 567 36.085 76.655 19.632 1.00 25.48 O HETATM 2154 O HOH A 568 47.950 70.356 21.161 1.00 26.86 O HETATM 2155 O HOH A 569 52.592 48.406 44.612 1.00 38.37 O HETATM 2156 O HOH A 570 40.796 74.802 27.321 1.00 37.21 O HETATM 2157 O HOH A 571 56.508 65.942 50.708 1.00 50.38 O HETATM 2158 O HOH A 572 53.049 54.763 32.654 1.00 34.28 O HETATM 2159 O HOH A 573 50.739 67.871 21.106 1.00 36.13 O HETATM 2160 O HOH A 574 26.590 54.659 33.878 1.00 20.01 O HETATM 2161 O HOH A 575 27.745 74.383 24.681 1.00 35.12 O HETATM 2162 O HOH A 576 53.282 48.789 27.249 1.00 20.15 O HETATM 2163 O HOH A 577 50.685 72.362 28.392 1.00 27.62 O HETATM 2164 O HOH A 578 25.784 59.016 25.465 1.00 23.17 O HETATM 2165 O HOH A 579 43.989 62.854 41.999 1.00 15.42 O HETATM 2166 O HOH A 580 41.536 67.142 39.801 1.00 20.63 O HETATM 2167 O HOH A 581 50.159 47.038 40.496 1.00 19.02 O HETATM 2168 O HOH A 582 30.051 73.166 36.610 1.00 31.51 O HETATM 2169 O HOH A 583 58.409 53.320 41.038 1.00 27.60 O HETATM 2170 O HOH A 584 46.108 58.660 48.134 1.00 32.57 O HETATM 2171 O HOH A 585 43.621 59.616 48.790 1.00 22.12 O HETATM 2172 O HOH A 586 49.937 44.797 37.158 1.00 37.51 O HETATM 2173 O HOH A 587 35.586 76.768 35.839 1.00 34.09 O HETATM 2174 O HOH A 588 34.346 77.192 26.284 1.00 27.61 O HETATM 2175 O HOH A 589 41.637 58.414 50.523 1.00 32.73 O HETATM 2176 O HOH A 590 43.133 64.644 49.327 1.00 45.29 O HETATM 2177 O HOH A 591 49.566 55.739 47.717 1.00 38.96 O HETATM 2178 O HOH A 592 51.465 52.460 49.507 1.00 49.95 O HETATM 2179 O HOH A 593 30.868 50.719 22.968 1.00 27.92 O HETATM 2180 O HOH A 594 32.484 51.476 37.371 1.00 31.67 O HETATM 2181 O HOH A 595 51.898 61.215 50.639 1.00 37.02 O HETATM 2182 O HOH A 596 48.963 61.365 32.856 1.00 20.09 O HETATM 2183 O HOH A 597 31.279 71.680 22.244 1.00 26.38 O HETATM 2184 O HOH A 598 24.764 65.890 25.613 1.00 49.92 O HETATM 2185 O HOH A 599 48.762 64.684 42.786 1.00 34.55 O HETATM 2186 O HOH A 600 47.831 46.727 39.535 1.00 44.82 O HETATM 2187 O HOH A 601 22.623 65.416 33.963 1.00 35.48 O HETATM 2188 O HOH A 602 47.067 66.362 37.178 1.00 45.35 O HETATM 2189 O HOH A 603 39.690 74.790 30.711 1.00 34.67 O HETATM 2190 O HOH A 604 41.380 54.015 45.167 1.00 14.75 O HETATM 2191 O HOH A 605 48.925 54.003 46.394 1.00 33.32 O HETATM 2192 O HOH A 606 21.628 62.766 34.754 1.00 37.71 O HETATM 2193 O HOH A 607 55.186 47.066 26.558 1.00 37.61 O HETATM 2194 O HOH A 608 28.846 58.999 39.031 1.00 23.91 O HETATM 2195 O HOH A 609 45.104 64.832 38.602 1.00 24.46 O HETATM 2196 O HOH A 610 39.273 78.393 27.921 0.50 31.08 O HETATM 2197 O HOH A 611 39.397 45.558 33.245 1.00 39.80 O HETATM 2198 O HOH A 612 57.266 42.411 26.947 1.00 23.28 O HETATM 2199 O HOH A 613 27.045 70.332 33.683 1.00 40.85 O HETATM 2200 O HOH A 614 25.640 50.885 19.345 1.00 44.81 O HETATM 2201 O HOH A 615 43.772 66.722 40.239 1.00 25.58 O HETATM 2202 O HOH A 616 51.771 65.578 44.169 1.00 45.12 O HETATM 2203 O HOH A 617 33.760 79.158 22.023 1.00 29.09 O HETATM 2204 O HOH A 618 46.868 72.652 37.549 1.00 27.48 O HETATM 2205 O HOH A 619 40.233 51.559 44.658 1.00 19.08 O HETATM 2206 O HOH A 620 26.610 58.396 40.262 1.00 26.45 O HETATM 2207 O HOH A 621 45.433 77.160 30.963 1.00 29.93 O HETATM 2208 O HOH A 622 56.892 49.646 43.260 1.00 37.62 O HETATM 2209 O HOH A 623 41.743 47.740 43.127 1.00 30.70 O HETATM 2210 O HOH A 624 49.695 47.393 43.302 1.00 36.43 O HETATM 2211 O HOH A 625 27.121 69.247 36.057 1.00 37.52 O HETATM 2212 O HOH A 626 42.886 68.700 21.437 1.00 33.98 O HETATM 2213 O HOH A 627 27.885 69.434 20.181 1.00 44.27 O HETATM 2214 O HOH A 628 44.300 65.346 42.405 1.00 28.23 O HETATM 2215 O HOH A 629 28.438 67.288 37.988 1.00 22.85 O HETATM 2216 O HOH A 630 28.783 71.800 38.631 1.00 52.49 O HETATM 2217 O HOH A 631 36.903 79.178 27.131 1.00 40.47 O HETATM 2218 O HOH A 632 47.111 52.849 48.485 1.00 50.71 O HETATM 2219 O HOH A 633 42.862 73.058 21.562 1.00 44.21 O HETATM 2220 O HOH A 634 23.803 51.409 33.079 1.00 34.39 O HETATM 2221 O HOH A 635 46.822 66.372 43.444 1.00 29.28 O HETATM 2222 O HOH A 636 42.155 75.111 25.112 1.00 28.01 O HETATM 2223 O HOH A 637 57.375 55.995 34.977 0.50 49.37 O HETATM 2224 O HOH A 638 53.728 70.025 26.976 1.00 49.06 O HETATM 2225 O HOH A 639 26.715 72.900 22.504 1.00 33.14 O HETATM 2226 O HOH A 640 28.125 74.526 32.918 1.00 35.82 O HETATM 2227 O HOH A 641 32.914 76.230 37.197 1.00 45.99 O HETATM 2228 O HOH A 642 29.781 62.280 41.989 1.00 26.69 O HETATM 2229 O HOH A 643 24.706 62.128 27.492 1.00 40.77 O HETATM 2230 O HOH A 644 43.505 45.527 42.125 1.00 45.82 O HETATM 2231 O HOH B 101 39.746 50.952 20.047 1.00 42.74 O HETATM 2232 O HOH B 102 39.151 58.119 18.216 1.00 34.69 O HETATM 2233 O HOH B 103 41.649 63.871 21.530 1.00 20.73 O HETATM 2234 O HOH B 104 46.593 55.995 24.195 0.50 38.27 O END