USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1020 hydrogens (0 hets) HEADER PEPTIDE BINDING PROTEIN 06-JAN-16 5HFE TITLE THE THIRD PDZ DOMAIN FROM THE SYNAPTIC PROTEIN PSD-95 (G330T, H372A TITLE 2 DOUBLE MUTANT) IN COMPLEX WITH A C-TERMINAL PEPTIDE DERIVED FROM TITLE 3 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 11-JAN-17 5HFE 0 JRNL AUTH K.I.WHITE,A.S.RAMAN,R.RANGANATHAN JRNL TITL THE THIRD PDZ DOMAIN FROM THE SYNAPTIC PROTEIN PSD-95 JRNL TITL 2 (G330T, H372A DOUBLE MUTANT) IN COMPLEX WITH A C-TERMINAL JRNL TITL 3 PEPTIDE DERIVED FROM CRIPT JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX DEV_2026 REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 40.14 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.480 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.5 REMARK 3 NUMBER OF REFLECTIONS : 11944 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.179 REMARK 3 R VALUE (WORKING SET) : 0.176 REMARK 3 FREE R VALUE : 0.211 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.010 REMARK 3 FREE R VALUE TEST SET COUNT : 1195 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 40.1478 - 3.7434 1.00 1322 148 0.1768 0.1999 REMARK 3 2 3.7434 - 2.9715 1.00 1227 136 0.1613 0.1839 REMARK 3 3 2.9715 - 2.5960 1.00 1209 134 0.1615 0.2100 REMARK 3 4 2.5960 - 2.3587 1.00 1174 131 0.1663 0.2098 REMARK 3 5 2.3587 - 2.1896 1.00 1181 130 0.1669 0.2082 REMARK 3 6 2.1896 - 2.0605 1.00 1186 132 0.1770 0.2303 REMARK 3 7 2.0605 - 1.9573 1.00 1169 130 0.1825 0.2321 REMARK 3 8 1.9573 - 1.8721 1.00 1163 130 0.2067 0.2443 REMARK 3 9 1.8721 - 1.8001 0.95 1118 124 0.2858 0.3280 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) : 0.200 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 19.530 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 : 0.014 1080 REMARK 3 ANGLE : 1.414 1473 REMARK 3 CHIRALITY : 0.083 163 REMARK 3 PLANARITY : 0.008 205 REMARK 3 DIHEDRAL : 15.186 405 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 6 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: (CHAIN A AND RESID 299:325) REMARK 3 ORIGIN FOR THE GROUP (A): 45.1570 66.7224 38.0435 REMARK 3 T TENSOR REMARK 3 T11: 0.1529 T22: 0.1338 REMARK 3 T33: 0.1435 T12: -0.0119 REMARK 3 T13: -0.0284 T23: 0.0347 REMARK 3 L TENSOR REMARK 3 L11: 0.2307 L22: 0.0267 REMARK 3 L33: 0.0989 L12: 0.0105 REMARK 3 L13: -0.1419 L23: 0.0299 REMARK 3 S TENSOR REMARK 3 S11: 0.0137 S12: 0.0855 S13: 0.1408 REMARK 3 S21: 0.0897 S22: 0.0109 S23: -0.0294 REMARK 3 S31: -0.1732 S32: 0.0400 S33: 0.0504 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: (CHAIN A AND RESID 326:338) REMARK 3 ORIGIN FOR THE GROUP (A): 37.2002 52.8201 29.2695 REMARK 3 T TENSOR REMARK 3 T11: 0.1829 T22: 0.1399 REMARK 3 T33: 0.1487 T12: -0.0354 REMARK 3 T13: 0.0109 T23: 0.0037 REMARK 3 L TENSOR REMARK 3 L11: 0.0149 L22: 0.0036 REMARK 3 L33: -0.0008 L12: -0.0017 REMARK 3 L13: 0.0032 L23: 0.0001 REMARK 3 S TENSOR REMARK 3 S11: -0.1323 S12: 0.1237 S13: -0.1515 REMARK 3 S21: 0.1786 S22: 0.1002 S23: 0.0669 REMARK 3 S31: 0.0631 S32: -0.0545 S33: 0.0000 REMARK 3 TLS GROUP : 3 REMARK 3 SELECTION: (CHAIN A AND RESID 339:354) REMARK 3 ORIGIN FOR THE GROUP (A): 45.4228 66.4998 30.6708 REMARK 3 T TENSOR REMARK 3 T11: 0.1636 T22: 0.1091 REMARK 3 T33: 0.1536 T12: -0.0278 REMARK 3 T13: 0.0126 T23: 0.0351 REMARK 3 L TENSOR REMARK 3 L11: 0.1739 L22: 0.0121 REMARK 3 L33: 0.1614 L12: 0.0227 REMARK 3 L13: 0.1597 L23: 0.0271 REMARK 3 S TENSOR REMARK 3 S11: 0.1720 S12: 0.0295 S13: 0.0927 REMARK 3 S21: 0.2839 S22: -0.1649 S23: -0.0969 REMARK 3 S31: 0.0096 S32: 0.1765 S33: 0.0180 REMARK 3 TLS GROUP : 4 REMARK 3 SELECTION: (CHAIN A AND RESID 355:396) REMARK 3 ORIGIN FOR THE GROUP (A): 33.5693 59.9633 32.1539 REMARK 3 T TENSOR REMARK 3 T11: 0.1089 T22: 0.1689 REMARK 3 T33: 0.1064 T12: 0.0011 REMARK 3 T13: -0.0087 T23: 0.0320 REMARK 3 L TENSOR REMARK 3 L11: 0.2127 L22: 0.1038 REMARK 3 L33: 0.4105 L12: 0.0258 REMARK 3 L13: -0.2920 L23: 0.0305 REMARK 3 S TENSOR REMARK 3 S11: -0.0270 S12: 0.0736 S13: -0.0033 REMARK 3 S21: 0.0324 S22: 0.0502 S23: 0.0227 REMARK 3 S31: 0.0895 S32: -0.1920 S33: -0.0091 REMARK 3 TLS GROUP : 5 REMARK 3 SELECTION: (CHAIN A AND RESID 397:415) REMARK 3 ORIGIN FOR THE GROUP (A): 51.3564 50.8540 36.2422 REMARK 3 T TENSOR REMARK 3 T11: 0.2245 T22: 0.1769 REMARK 3 T33: 0.1776 T12: 0.0217 REMARK 3 T13: -0.0057 T23: -0.0043 REMARK 3 L TENSOR REMARK 3 L11: 0.0415 L22: 0.0522 REMARK 3 L33: 0.0321 L12: 0.0501 REMARK 3 L13: -0.0396 L23: -0.0378 REMARK 3 S TENSOR REMARK 3 S11: -0.0577 S12: 0.0294 S13: 0.0339 REMARK 3 S21: 0.0451 S22: 0.0367 S23: -0.0511 REMARK 3 S31: 0.2335 S32: 0.1816 S33: -0.0000 REMARK 3 TLS GROUP : 6 REMARK 3 SELECTION: (CHAIN B) REMARK 3 ORIGIN FOR THE GROUP (A): 38.7392 52.7643 23.1293 REMARK 3 T TENSOR REMARK 3 T11: 0.2864 T22: 0.1960 REMARK 3 T33: 0.1967 T12: -0.0116 REMARK 3 T13: 0.0117 T23: -0.0306 REMARK 3 L TENSOR REMARK 3 L11: 0.0484 L22: 0.0388 REMARK 3 L33: 0.0393 L12: -0.0285 REMARK 3 L13: 0.0189 L23: -0.0379 REMARK 3 S TENSOR REMARK 3 S11: -0.0489 S12: 0.1996 S13: 0.0286 REMARK 3 S21: -0.0268 S22: -0.0679 S23: 0.0004 REMARK 3 S31: 0.2999 S32: 0.0040 S33: -0.0022 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 5HFE 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_1000216948. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 22-OCT-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 : 11944 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 REMARK 200 RESOLUTION RANGE LOW (A) : 40.138 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.5 REMARK 200 DATA REDUNDANCY : 18.10 REMARK 200 R MERGE (I) : 0.06100 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 50.5390 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.87 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : 3.10 REMARK 200 R MERGE FOR SHELL (I) : 0.59400 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 1.815 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 (%): 43.50 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.18 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 1.25 M SODIUM CITRATE, PH 7.0. EQUAL AMOUNTS REMARK 280 (1.5 MICROLITERS) OF PROTEIN (9 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 44.87550 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 44.87550 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 44.87550 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 44.87550 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 44.87550 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 44.87550 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 44.87550 REMARK 290 SMTRY2 6 -1.000000 0.000000 0.000000 44.87550 REMARK 290 SMTRY3 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 7 0.000000 0.000000 -1.000000 44.87550 REMARK 290 SMTRY2 7 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 1.000000 0.000000 44.87550 REMARK 290 SMTRY1 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 8 1.000000 0.000000 0.000000 44.87550 REMARK 290 SMTRY3 8 0.000000 -1.000000 0.000000 44.87550 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 44.87550 REMARK 290 SMTRY3 10 -1.000000 0.000000 0.000000 44.87550 REMARK 290 SMTRY1 11 0.000000 1.000000 0.000000 44.87550 REMARK 290 SMTRY2 11 0.000000 0.000000 -1.000000 44.87550 REMARK 290 SMTRY3 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 12 0.000000 -1.000000 0.000000 44.87550 REMARK 290 SMTRY2 12 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 12 1.000000 0.000000 0.000000 44.87550 REMARK 290 SMTRY1 13 0.000000 1.000000 0.000000 67.31325 REMARK 290 SMTRY2 13 1.000000 0.000000 0.000000 22.43775 REMARK 290 SMTRY3 13 0.000000 0.000000 -1.000000 22.43775 REMARK 290 SMTRY1 14 0.000000 -1.000000 0.000000 67.31325 REMARK 290 SMTRY2 14 -1.000000 0.000000 0.000000 67.31325 REMARK 290 SMTRY3 14 0.000000 0.000000 -1.000000 67.31325 REMARK 290 SMTRY1 15 0.000000 1.000000 0.000000 22.43775 REMARK 290 SMTRY2 15 -1.000000 0.000000 0.000000 22.43775 REMARK 290 SMTRY3 15 0.000000 0.000000 1.000000 67.31325 REMARK 290 SMTRY1 16 0.000000 -1.000000 0.000000 22.43775 REMARK 290 SMTRY2 16 1.000000 0.000000 0.000000 67.31325 REMARK 290 SMTRY3 16 0.000000 0.000000 1.000000 22.43775 REMARK 290 SMTRY1 17 1.000000 0.000000 0.000000 67.31325 REMARK 290 SMTRY2 17 0.000000 0.000000 1.000000 22.43775 REMARK 290 SMTRY3 17 0.000000 -1.000000 0.000000 22.43775 REMARK 290 SMTRY1 18 -1.000000 0.000000 0.000000 22.43775 REMARK 290 SMTRY2 18 0.000000 0.000000 1.000000 67.31325 REMARK 290 SMTRY3 18 0.000000 1.000000 0.000000 22.43775 REMARK 290 SMTRY1 19 -1.000000 0.000000 0.000000 67.31325 REMARK 290 SMTRY2 19 0.000000 0.000000 -1.000000 67.31325 REMARK 290 SMTRY3 19 0.000000 -1.000000 0.000000 67.31325 REMARK 290 SMTRY1 20 1.000000 0.000000 0.000000 22.43775 REMARK 290 SMTRY2 20 0.000000 0.000000 -1.000000 22.43775 REMARK 290 SMTRY3 20 0.000000 1.000000 0.000000 67.31325 REMARK 290 SMTRY1 21 0.000000 0.000000 1.000000 67.31325 REMARK 290 SMTRY2 21 0.000000 1.000000 0.000000 22.43775 REMARK 290 SMTRY3 21 -1.000000 0.000000 0.000000 22.43775 REMARK 290 SMTRY1 22 0.000000 0.000000 1.000000 22.43775 REMARK 290 SMTRY2 22 0.000000 -1.000000 0.000000 22.43775 REMARK 290 SMTRY3 22 1.000000 0.000000 0.000000 67.31325 REMARK 290 SMTRY1 23 0.000000 0.000000 -1.000000 22.43775 REMARK 290 SMTRY2 23 0.000000 1.000000 0.000000 67.31325 REMARK 290 SMTRY3 23 1.000000 0.000000 0.000000 22.43775 REMARK 290 SMTRY1 24 0.000000 0.000000 -1.000000 67.31325 REMARK 290 SMTRY2 24 0.000000 -1.000000 0.000000 67.31325 REMARK 290 SMTRY3 24 -1.000000 0.000000 0.000000 67.31325 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: 950 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 7130 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -4.0 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 585 LIES ON A SPECIAL POSITION. REMARK 375 HOH B 101 LIES ON A SPECIAL POSITION. REMARK 375 HOH B 109 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 THR B 1 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 GLU A 331 CG CD OE1 OE2 REMARK 470 ARG A 399 CD NE CZ NH1 NH2 REMARK 470 LYS B 2 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 O GLU A 305 HH12 ARG A 411 1.52 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ASP A 407 CB - CG - OD2 ANGL. DEV. = 7.6 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 320 55.05 -118.47 REMARK 500 SER A 320 54.88 -118.47 REMARK 500 ASN B 3 -16.49 71.37 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 LEU A 302 GLY A 303 -123.54 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: 5HFB RELATED DB: PDB REMARK 900 RELATED ID: 5HFC RELATED DB: PDB REMARK 900 RELATED ID: 5HFD RELATED DB: PDB REMARK 900 RELATED ID: 5HFF RELATED DB: PDB DBREF 5HFE A 302 402 UNP P31016 DLG4_RAT 302 402 DBREF 5HFE B 1 9 UNP Q792Q4 CRIPT_RAT 93 101 SEQADV 5HFE GLY A 297 UNP P31016 EXPRESSION TAG SEQADV 5HFE SER A 298 UNP P31016 EXPRESSION TAG SEQADV 5HFE PRO A 299 UNP P31016 EXPRESSION TAG SEQADV 5HFE GLU A 300 UNP P31016 EXPRESSION TAG SEQADV 5HFE PHE A 301 UNP P31016 EXPRESSION TAG SEQADV 5HFE THR A 330 UNP P31016 GLY 330 ENGINEERED MUTATION SEQADV 5HFE ALA A 372 UNP P31016 HIS 372 ENGINEERED MUTATION SEQADV 5HFE ASN A 403 UNP P31016 EXPRESSION TAG SEQADV 5HFE SER A 404 UNP P31016 EXPRESSION TAG SEQADV 5HFE ARG A 405 UNP P31016 EXPRESSION TAG SEQADV 5HFE VAL A 406 UNP P31016 EXPRESSION TAG SEQADV 5HFE ASP A 407 UNP P31016 EXPRESSION TAG SEQADV 5HFE SER A 408 UNP P31016 EXPRESSION TAG SEQADV 5HFE SER A 409 UNP P31016 EXPRESSION TAG SEQADV 5HFE GLY A 410 UNP P31016 EXPRESSION TAG SEQADV 5HFE ARG A 411 UNP P31016 EXPRESSION TAG SEQADV 5HFE ILE A 412 UNP P31016 EXPRESSION TAG SEQADV 5HFE VAL A 413 UNP P31016 EXPRESSION TAG SEQADV 5HFE THR A 414 UNP P31016 EXPRESSION TAG SEQADV 5HFE 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 THR GLU ASP GLY GLU GLY SEQRES 4 A 119 ILE PHE ILE SER PHE ILE LEU ALA GLY GLY PRO ALA ASP SEQRES 5 A 119 LEU SER GLY GLU LEU ARG LYS GLY ASP GLN ILE LEU SER SEQRES 6 A 119 VAL ASN GLY VAL ASP LEU ARG ASN ALA SER ALA GLU GLN SEQRES 7 A 119 ALA ALA ILE ALA LEU LYS ASN ALA GLY GLN THR VAL THR SEQRES 8 A 119 ILE ILE ALA GLN TYR LYS PRO GLU GLU TYR SER ARG PHE SEQRES 9 A 119 GLU ALA ASN SER ARG VAL ASP SER SER GLY ARG ILE VAL SEQRES 10 A 119 THR ASP SEQRES 1 B 9 THR LYS ASN TYR LYS GLN THR SER VAL FORMUL 3 HOH *125(H2 O) HELIX 1 AA1 PHE A 301 GLU A 305 5 5 HELIX 2 AA2 GLY A 345 GLY A 351 1 7 HELIX 3 AA3 SER A 371 ASN A 381 1 11 HELIX 4 AA4 LYS A 393 ARG A 399 1 7 SHEET 1 AA1 4 ARG A 312 HIS A 317 0 SHEET 2 AA1 4 THR A 385 TYR A 392 -1 O ILE A 388 N ILE A 314 SHEET 3 AA1 4 ASP A 357 VAL A 362 -1 N GLN A 358 O GLN A 391 SHEET 4 AA1 4 VAL A 365 ASP A 366 -1 O VAL A 365 N VAL A 362 SHEET 1 AA2 3 PHE A 337 ILE A 341 0 SHEET 2 AA2 3 PHE A 325 THR A 330 -1 N VAL A 328 O PHE A 337 SHEET 3 AA2 3 TYR B 4 SER B 8 -1 O LYS B 5 N GLY A 329 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 CISPEP 1 GLY A 297 SER A 298 0 6.46 CRYST1 89.751 89.751 89.751 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 0.011142 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011142 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011142 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= -0.391 K(o=5.8,f=1.7!) USER MOD Set 1.2: A 326 ASN B: amide:sc= 1.12 K(o=5.8,f=3.5) USER MOD Set 1.3: A 339 SER OG : rot 155:sc= 1.03 USER MOD Set 1.4: B 4 TYR OH : rot -47:sc= 1.69 USER MOD Set 1.5: B 6 GLN : amide:sc= 0.448 K(o=5.8,f=1) USER MOD Set 1.6: B 8 SER OG : rot -62:sc= 1.93 USER MOD Set 2.1: A 404 SER OG A: rot 99:sc= 0.686 USER MOD Set 2.2: A 414 THR OG1 : rot -71:sc= 0.831 USER MOD Single : A 298 SER OG A: rot 180:sc= 0 USER MOD Single : A 298 SER OG B: rot 171:sc= 0.355 USER MOD Single : A 317 HIS : no HD1:sc= -0.713 X(o=-0.71,f=-1.1) USER MOD Single : A 320 SER OG : rot -68:sc= 1.29 USER MOD Single : A 321 THR OG1A: rot -138:sc= 1.13 USER MOD Single : A 321 THR OG1B: rot -54:sc= 0.874 USER MOD Single : A 330 THR OG1 : rot -120:sc= -1.9! USER MOD Single : A 350 SER OG : rot -78:sc= 0.25 USER MOD Single : A 355 LYS NZ :NH3+ -173:sc= 0.785 (180deg=0.764) USER MOD Single : A 358 GLN : amide:sc= 2.72 K(o=2.7,f=0.54) USER MOD Single : A 361 SER OG : rot 87:sc= 0.912 USER MOD Single : A 363 ASN : amide:sc= 1.21 K(o=1.2,f=-4.8!) USER MOD Single : A 369 ASN : amide:sc= 0.555 X(o=0.55,f=0.63) USER MOD Single : A 371 SER OG : rot 160:sc= 1.29 USER MOD Single : A 374 GLN A:FLIP amide:sc= 0.569 F(o=-2.2!,f=0.57) USER MOD Single : A 374 GLN B: amide:sc= 0.464 X(o=0.46,f=0.33) USER MOD Single : A 380 LYS NZ :NH3+ -155:sc= 1.34 (180deg=1.23) USER MOD Single : A 381 ASN : amide:sc= 0 X(o=0,f=0.083) USER MOD Single : A 384 GLN : amide:sc= 1.05 X(o=1,f=1.2) USER MOD Single : A 385 THR OG1 : rot 120:sc= 0.0224 USER MOD Single : A 387 THR OG1 : rot 88:sc= 2.1 USER MOD Single : A 391 GLN : amide:sc= 0.516 K(o=0.52,f=-0.15) USER MOD Single : A 392 TYR OH : rot -158:sc= 2.14 USER MOD Single : A 393 LYS NZ :NH3+ 178:sc= 1.19 (180deg=1.18) USER MOD Single : A 397 TYR OH : rot -172:sc= 1.03 USER MOD Single : A 398 SER OG : rot -49:sc= 0.681 USER MOD Single : A 403 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 404 SER OG B: rot -95:sc= 0.334 USER MOD Single : A 408 SER OG A: rot 180:sc= 0 USER MOD Single : A 408 SER OG B: rot 180:sc= 0.00665 USER MOD Single : A 409 SER OG : rot -43:sc= -1.81 USER MOD Single : B 3 ASN : amide:sc= -2.19! X(o=-2.2!,f=-2.3) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 THR OG1A: rot 180:sc=-0.00675 USER MOD Single : B 7 THR OG1B: rot -140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N AGLY A 297 70.203 72.443 51.286 0.62 51.91 N ATOM 2 N BGLY A 297 51.841 72.793 39.351 0.38 14.25 N ATOM 3 CA AGLY A 297 68.805 72.758 51.050 0.62 53.33 C ATOM 4 CA BGLY A 297 50.729 72.901 38.401 0.38 17.30 C ATOM 5 C AGLY A 297 68.014 71.674 50.338 0.62 53.05 C ATOM 6 C BGLY A 297 51.167 72.886 36.934 0.38 17.93 C ATOM 7 O AGLY A 297 67.448 71.916 49.272 0.62 54.06 O ATOM 8 O BGLY A 297 51.954 73.716 36.531 0.38 24.33 O ATOM 0 HA2AGLY A 297 68.381 72.942 51.903 0.62 17.30 H new ATOM 0 HA2BGLY A 297 50.112 72.168 38.553 0.38 17.30 H new ATOM 0 HA3AGLY A 297 68.755 73.573 50.526 0.62 17.30 H new ATOM 0 HA3BGLY A 297 50.243 73.722 38.577 0.38 17.30 H new ATOM 13 N ASER A 298 67.941 70.490 50.945 0.62 61.10 N ATOM 14 N BSER A 298 50.659 71.971 36.116 0.38 21.80 N ATOM 15 CA ASER A 298 67.410 69.298 50.271 0.62 59.75 C ATOM 16 CA BSER A 298 49.609 71.081 36.533 0.38 20.13 C ATOM 17 C ASER A 298 66.033 69.502 49.626 0.62 57.66 C ATOM 18 C BSER A 298 50.139 70.002 37.498 0.38 17.94 C ATOM 19 O ASER A 298 65.101 69.977 50.279 0.62 63.10 O ATOM 20 O BSER A 298 49.383 69.535 38.324 0.38 22.95 O ATOM 21 CB ASER A 298 67.343 68.138 51.258 0.62 55.57 C ATOM 22 CB BSER A 298 48.921 70.437 35.336 0.38 17.60 C ATOM 23 OG ASER A 298 68.648 67.666 51.537 0.62 53.63 O ATOM 24 OG BSER A 298 49.678 69.471 34.678 0.38 16.28 O ATOM 0 H ASER A 298 68.196 70.353 51.755 0.62 21.80 H new ATOM 0 H BSER A 298 50.920 71.856 35.305 0.38 21.80 H new ATOM 0 HA ASER A 298 68.024 69.104 49.545 0.62 20.13 H new ATOM 0 HA BSER A 298 48.952 71.613 37.008 0.38 20.13 H new ATOM 0 HB2ASER A 298 66.912 68.425 52.078 0.62 17.60 H new ATOM 0 HB2BSER A 298 48.092 70.032 35.635 0.38 17.60 H new ATOM 0 HB3ASER A 298 66.803 67.421 50.890 0.62 17.60 H new ATOM 0 HB3BSER A 298 48.685 71.132 34.702 0.38 17.60 H new ATOM 0 HG ASER A 298 68.605 67.028 52.082 0.62 16.28 H new ATOM 0 HG BSER A 298 49.197 69.073 34.116 0.38 16.28 H new ATOM 35 N APRO A 299 65.897 69.121 48.341 0.62 68.34 N ANISOU 35 N APRO A 299 8820 8527 8619 -777 -655 -70 N ATOM 36 N BPRO A 299 51.441 69.625 37.416 0.38 24.32 N ANISOU 36 N BPRO A 299 3171 2937 3134 -334 -354 356 N ATOM 37 CA APRO A 299 64.655 69.390 47.612 0.62 60.02 C ANISOU 37 CA APRO A 299 7777 7447 7581 -744 -627 -38 C ATOM 38 CA BPRO A 299 51.904 68.685 38.451 0.38 19.12 C ANISOU 38 CA BPRO A 299 2515 2290 2460 -341 -376 314 C ATOM 39 C APRO A 299 63.461 68.646 48.183 0.62 55.40 C ANISOU 39 C APRO A 299 7206 6862 6982 -696 -619 -41 C ATOM 40 C BPRO A 299 51.799 69.263 39.866 0.38 16.38 C ANISOU 40 C BPRO A 299 2223 1884 2117 -345 -377 285 C ATOM 41 O APRO A 299 63.631 67.755 49.012 0.62 61.82 O ANISOU 41 O APRO A 299 8014 7702 7773 -686 -636 -63 O ATOM 42 O BPRO A 299 52.278 70.367 40.083 0.38 17.09 O ANISOU 42 O BPRO A 299 2339 1930 2222 -371 -374 286 O ATOM 43 CB APRO A 299 64.968 68.902 46.193 0.62 57.58 C ANISOU 43 CB APRO A 299 7421 7177 7279 -745 -628 -5 C ATOM 44 CB BPRO A 299 53.381 68.435 38.082 0.38 20.47 C ANISOU 44 CB BPRO A 299 2655 2493 2631 -384 -399 308 C ATOM 45 CG APRO A 299 66.002 67.864 46.377 0.62 59.67 C ANISOU 45 CG APRO A 299 7650 7497 7526 -759 -656 -21 C ATOM 46 CG BPRO A 299 53.494 68.795 36.643 0.38 19.83 C ANISOU 46 CG BPRO A 299 2541 2436 2558 -390 -389 348 C ATOM 47 CD APRO A 299 66.847 68.345 47.521 0.62 64.91 C ANISOU 47 CD APRO A 299 8336 8147 8181 -792 -673 -59 C ATOM 48 CD BPRO A 299 52.484 69.888 36.404 0.38 21.52 C ANISOU 48 CD BPRO A 299 2783 2607 2786 -368 -362 377 C ATOM 0 HA APRO A 299 64.405 70.326 47.661 0.62 19.12 H new ATOM 0 HA BPRO A 299 51.362 67.880 38.468 0.38 19.12 H new ATOM 0 HB2APRO A 299 64.178 68.541 45.762 0.62 20.47 H new ATOM 0 HB2BPRO A 299 53.974 68.977 38.626 0.38 20.47 H new ATOM 0 HB3APRO A 299 65.290 69.626 45.634 0.62 20.47 H new ATOM 0 HB3BPRO A 299 53.627 67.509 38.231 0.38 20.47 H new ATOM 0 HG2APRO A 299 65.602 67.003 46.575 0.62 19.83 H new ATOM 0 HG2BPRO A 299 54.390 69.099 36.431 0.38 19.83 H new ATOM 0 HG3APRO A 299 66.533 67.752 45.573 0.62 19.83 H new ATOM 0 HG3BPRO A 299 53.314 68.027 36.078 0.38 19.83 H new ATOM 0 HD2APRO A 299 67.229 67.606 48.019 0.62 21.52 H new ATOM 0 HD2BPRO A 299 52.877 70.768 36.517 0.38 21.52 H new ATOM 0 HD3APRO A 299 67.586 68.893 47.214 0.62 21.52 H new ATOM 0 HD3BPRO A 299 52.125 69.851 35.504 0.38 21.52 H new ATOM 56 N AGLU A 300 62.269 69.026 47.733 0.62 38.57 N ANISOU 56 N AGLU A 300 5092 4700 4863 -667 -593 -17 N ATOM 57 N BGLU A 300 51.204 68.525 40.809 0.38 12.33 N ANISOU 57 N BGLU A 300 1725 1371 1590 -320 -379 257 N ATOM 58 CA AGLU A 300 61.026 68.380 48.133 0.62 33.23 C ANISOU 58 CA AGLU A 300 4429 4022 4177 -619 -582 -16 C ATOM 59 CA BGLU A 300 50.979 69.042 42.158 0.38 12.77 C ANISOU 59 CA BGLU A 300 1832 1372 1647 -320 -379 229 C ATOM 60 C AGLU A 300 60.271 67.905 46.887 0.62 29.17 C ANISOU 60 C AGLU A 300 3886 3527 3670 -589 -566 22 C ATOM 61 C BGLU A 300 51.324 68.070 43.294 0.38 12.29 C ANISOU 61 C BGLU A 300 1777 1326 1568 -321 -399 189 C ATOM 62 O AGLU A 300 59.543 68.678 46.275 0.62 19.95 O ANISOU 62 O AGLU A 300 2732 2328 2519 -578 -543 46 O ATOM 63 O BGLU A 300 51.602 68.500 44.415 0.38 12.51 O ANISOU 63 O BGLU A 300 1841 1317 1596 -335 -406 161 O ATOM 64 CB AGLU A 300 60.177 69.351 48.953 0.62 33.01 C ANISOU 64 CB AGLU A 300 4454 3933 4157 -610 -563 -28 C ATOM 65 CB BGLU A 300 49.524 69.467 42.299 0.38 22.75 C ANISOU 65 CB BGLU A 300 3126 2602 2917 -280 -352 242 C ATOM 66 CG AGLU A 300 58.818 68.819 49.357 0.62 32.16 C ANISOU 66 CG AGLU A 300 4363 3816 4040 -561 -549 -26 C ATOM 67 CG BGLU A 300 49.119 70.570 41.333 0.38 37.56 C ANISOU 67 CG BGLU A 300 5004 4455 4812 -277 -330 282 C ATOM 68 CD AGLU A 300 58.164 69.710 50.407 0.62 32.78 C ANISOU 68 CD AGLU A 300 4495 3837 4122 -557 -535 -46 C ATOM 69 CD BGLU A 300 47.668 70.987 41.495 0.38 48.12 C ANISOU 69 CD BGLU A 300 6370 5759 6154 -236 -304 295 C ATOM 70 OE1AGLU A 300 57.036 70.197 50.168 0.62 25.08 O ANISOU 70 OE1AGLU A 300 3542 2827 3160 -531 -510 -29 O ATOM 71 OE1BGLU A 300 46.897 70.215 42.110 0.38 53.83 O ANISOU 71 OE1BGLU A 300 7100 6489 6863 -206 -303 276 O ATOM 72 OE2AGLU A 300 58.796 69.921 51.466 0.62 38.68 O ANISOU 72 OE2AGLU A 300 5261 4576 4859 -581 -550 -80 O ATOM 73 OE2BGLU A 300 47.303 72.081 41.003 0.38 51.94 O ANISOU 73 OE2BGLU A 300 6869 6209 6657 -233 -283 324 O ATOM 0 H AGLU A 300 62.159 69.675 47.179 0.62 12.33 H new ATOM 0 H BGLU A 300 50.924 67.721 40.685 0.38 12.33 H new ATOM 0 HA AGLU A 300 61.222 67.608 48.687 0.62 12.77 H new ATOM 0 HA BGLU A 300 51.589 69.790 42.253 0.38 12.77 H new ATOM 0 HB2AGLU A 300 60.667 69.593 49.754 0.62 22.75 H new ATOM 0 HB2BGLU A 300 48.954 68.696 42.156 0.38 22.75 H new ATOM 0 HB3AGLU A 300 60.053 70.165 48.440 0.62 22.75 H new ATOM 0 HB3BGLU A 300 49.369 69.769 43.208 0.38 22.75 H new ATOM 0 HG2AGLU A 300 58.245 68.762 48.576 0.62 37.56 H new ATOM 0 HG2BGLU A 300 49.691 71.341 41.471 0.38 37.56 H new ATOM 0 HG3AGLU A 300 58.911 67.919 49.706 0.62 37.56 H new ATOM 0 HG3BGLU A 300 49.265 70.268 40.423 0.38 37.56 H new ATOM 86 N APHE A 301 60.462 66.630 46.523 0.62 35.93 N ANISOU 86 N APHE A 301 4702 4438 4513 -575 -578 26 N ATOM 87 N BPHE A 301 51.281 66.764 43.020 0.38 17.24 N ANISOU 87 N BPHE A 301 2365 2006 2179 -305 -407 184 N ATOM 88 CA APHE A 301 59.938 66.081 45.282 0.62 36.62 C ANISOU 88 CA APHE A 301 4754 4555 4605 -552 -566 59 C ATOM 89 CA BPHE A 301 51.657 65.731 44.002 0.38 19.61 C ANISOU 89 CA BPHE A 301 2664 2325 2461 -305 -426 150 C ATOM 90 C APHE A 301 58.471 65.706 45.431 0.62 42.88 C ANISOU 90 C APHE A 301 5562 5337 5394 -503 -546 66 C ATOM 91 C BPHE A 301 53.003 65.191 43.550 0.38 22.10 C ANISOU 91 C BPHE A 301 2939 2686 2773 -338 -449 147 C ATOM 92 O APHE A 301 58.059 65.111 46.428 0.62 51.72 O ANISOU 92 O APHE A 301 6697 6455 6499 -482 -549 43 O ATOM 93 O BPHE A 301 53.057 64.476 42.577 0.38 21.81 O ANISOU 93 O BPHE A 301 2858 2694 2733 -332 -448 163 O ATOM 94 CB APHE A 301 60.751 64.850 44.842 0.62 32.08 C ANISOU 94 CB APHE A 301 4128 4042 4019 -558 -585 58 C ATOM 95 CB BPHE A 301 50.545 64.667 44.050 0.38 20.56 C ANISOU 95 CB BPHE A 301 2773 2469 2569 -260 -415 147 C ATOM 96 CG APHE A 301 62.209 65.132 44.647 0.62 34.42 C ANISOU 96 CG APHE A 301 4405 4354 4318 -605 -606 51 C ATOM 97 CG BPHE A 301 49.205 65.285 44.186 0.38 20.46 C ANISOU 97 CG BPHE A 301 2793 2417 2562 -228 -390 157 C ATOM 98 CD1APHE A 301 62.626 65.988 43.643 0.62 35.86 C ANISOU 98 CD1APHE A 301 4579 4528 4519 -631 -600 74 C ATOM 99 CD1BPHE A 301 48.355 65.355 43.111 0.38 16.96 C ANISOU 99 CD1BPHE A 301 2331 1988 2124 -204 -370 188 C ATOM 100 CD2APHE A 301 63.163 64.552 45.473 0.62 39.78 C ANISOU 100 CD2APHE A 301 5076 5056 4982 -623 -631 23 C ATOM 101 CD2BPHE A 301 48.852 65.937 45.355 0.38 21.73 C ANISOU 101 CD2BPHE A 301 3006 2526 2726 -225 -387 137 C ATOM 102 CE1APHE A 301 63.971 66.265 43.462 0.62 39.90 C ANISOU 102 CE1APHE A 301 5073 5053 5034 -675 -618 67 C ATOM 103 CE1BPHE A 301 47.149 66.019 43.217 0.38 15.86 C ANISOU 103 CE1BPHE A 301 2222 1811 1992 -175 -347 200 C ATOM 104 CE2APHE A 301 64.510 64.815 45.292 0.62 43.65 C ANISOU 104 CE2APHE A 301 5548 5562 5474 -666 -650 16 C ATOM 105 CE2BPHE A 301 47.648 66.589 45.465 0.38 21.92 C ANISOU 105 CE2BPHE A 301 3061 2510 2757 -197 -363 148 C ATOM 106 CZ APHE A 301 64.916 65.681 44.285 0.62 44.31 C ANISOU 106 CZ APHE A 301 5623 5636 5577 -693 -644 37 C ATOM 107 CZ BPHE A 301 46.788 66.613 44.383 0.38 19.63 C ANISOU 107 CZ BPHE A 301 2751 2235 2473 -171 -343 180 C ATOM 0 H APHE A 301 60.902 66.063 46.997 0.62 17.24 H new ATOM 0 H BPHE A 301 51.033 66.448 42.260 0.38 17.24 H new ATOM 0 HA APHE A 301 60.016 66.766 44.600 0.62 19.61 H new ATOM 0 HA BPHE A 301 51.746 66.067 44.908 0.38 19.61 H new ATOM 0 HB2APHE A 301 60.651 64.151 45.507 0.62 20.56 H new ATOM 0 HB2BPHE A 301 50.574 64.130 43.242 0.38 20.56 H new ATOM 0 HB3APHE A 301 60.382 64.508 44.013 0.62 20.56 H new ATOM 0 HB3BPHE A 301 50.702 64.067 44.795 0.38 20.56 H new ATOM 0 HD1APHE A 301 61.996 66.382 43.083 0.62 16.96 H new ATOM 0 HD1BPHE A 301 48.592 64.953 42.307 0.38 16.96 H new ATOM 0 HD2APHE A 301 62.894 63.980 46.155 0.62 21.73 H new ATOM 0 HD2BPHE A 301 49.439 65.934 46.077 0.38 21.73 H new ATOM 0 HE1APHE A 301 64.239 66.845 42.786 0.62 15.86 H new ATOM 0 HE1BPHE A 301 46.579 66.060 42.483 0.38 15.86 H new ATOM 0 HE2APHE A 301 65.142 64.413 45.843 0.62 21.92 H new ATOM 0 HE2BPHE A 301 47.414 67.010 46.260 0.38 21.92 H new ATOM 0 HZ APHE A 301 65.819 65.867 44.165 0.62 19.63 H new ATOM 0 HZ BPHE A 301 45.963 67.036 44.454 0.38 19.63 H new ATOM 126 N ALEU A 302 57.676 66.012 44.411 0.62 38.69 N ANISOU 126 N ALEU A 302 5023 4801 4875 -485 -524 97 N ATOM 127 N BLEU A 302 54.079 65.628 44.213 0.38 27.41 N ANISOU 127 N BLEU A 302 3627 3342 3446 -374 -467 127 N ATOM 128 CA ALEU A 302 56.264 65.683 44.414 0.62 35.25 C ANISOU 128 CA ALEU A 302 4599 4358 4437 -439 -504 107 C ATOM 129 CA BLEU A 302 55.475 65.388 43.812 0.38 33.08 C ANISOU 129 CA BLEU A 302 4312 4094 4164 -413 -489 125 C ATOM 130 C ALEU A 302 56.058 64.212 44.330 0.62 34.24 C ANISOU 130 C ALEU A 302 4436 4279 4293 -414 -509 102 C ATOM 131 C BLEU A 302 55.943 64.072 44.297 0.38 34.30 C ANISOU 131 C BLEU A 302 4441 4291 4300 -409 -508 102 C ATOM 132 O ALEU A 302 55.261 63.678 44.992 0.62 32.54 O ANISOU 132 O ALEU A 302 4236 4060 4069 -383 -503 89 O ATOM 133 O BLEU A 302 55.324 63.517 45.104 0.38 33.58 O ANISOU 133 O BLEU A 302 4366 4195 4197 -383 -506 85 O ATOM 134 CB ALEU A 302 55.536 66.371 43.336 0.62 35.06 C ANISOU 134 CB ALEU A 302 4572 4320 4429 -427 -480 142 C ATOM 135 CB BLEU A 302 56.388 66.435 44.324 0.38 35.96 C ANISOU 135 CB BLEU A 302 4702 4424 4537 -453 -500 112 C ATOM 136 CG ALEU A 302 55.450 67.851 43.595 0.62 37.39 C ANISOU 136 CG ALEU A 302 4909 4555 4741 -443 -469 146 C ATOM 137 CG BLEU A 302 56.250 67.665 43.440 0.38 37.75 C ANISOU 137 CG BLEU A 302 4937 4621 4785 -464 -482 142 C ATOM 138 CD1ALEU A 302 56.771 68.509 43.777 0.62 37.19 C ANISOU 138 CD1ALEU A 302 4888 4520 4723 -491 -485 134 C ATOM 139 CD1BLEU A 302 54.877 68.127 43.246 0.38 37.05 C ANISOU 139 CD1BLEU A 302 4871 4503 4705 -429 -455 162 C ATOM 140 CD2ALEU A 302 54.770 68.457 42.453 0.62 39.58 C ANISOU 140 CD2ALEU A 302 5180 4825 5034 -429 -446 185 C ATOM 141 CD2BLEU A 302 57.139 68.799 43.822 0.38 41.69 C ANISOU 141 CD2BLEU A 302 5461 5083 5296 -506 -488 131 C ATOM 0 H ALEU A 302 57.943 66.416 43.700 0.62 27.41 H new ATOM 0 H BLEU A 302 54.015 66.090 44.936 0.38 27.41 H new ATOM 0 HA ALEU A 302 55.901 65.997 45.257 0.62 33.08 H new ATOM 0 HA BLEU A 302 55.490 65.408 42.842 0.38 33.08 H new ATOM 0 HB2ALEU A 302 55.982 66.214 42.489 0.62 35.96 H new ATOM 0 HB2BLEU A 302 56.169 66.654 45.243 0.38 35.96 H new ATOM 0 HB3ALEU A 302 54.643 66.001 43.259 0.62 35.96 H new ATOM 0 HB3BLEU A 302 57.304 66.116 44.319 0.38 35.96 H new ATOM 0 HG ALEU A 302 54.969 67.977 44.428 0.62 37.75 H new ATOM 0 HG BLEU A 302 56.558 67.338 42.580 0.38 37.75 H new ATOM 0 HD11ALEU A 302 56.641 69.457 43.939 0.62 37.05 H new ATOM 0 HD11BLEU A 302 54.877 68.910 42.674 0.38 37.05 H new ATOM 0 HD12ALEU A 302 57.229 68.112 44.534 0.62 37.05 H new ATOM 0 HD12BLEU A 302 54.354 67.423 42.830 0.38 37.05 H new ATOM 0 HD13ALEU A 302 57.306 68.389 42.977 0.62 37.05 H new ATOM 0 HD13BLEU A 302 54.487 68.354 44.105 0.38 37.05 H new ATOM 0 HD21ALEU A 302 54.698 69.415 42.590 0.62 41.69 H new ATOM 0 HD21BLEU A 302 56.994 69.542 43.216 0.38 41.69 H new ATOM 0 HD22ALEU A 302 55.277 68.283 41.645 0.62 41.69 H new ATOM 0 HD22BLEU A 302 56.937 69.078 44.729 0.38 41.69 H new ATOM 0 HD23ALEU A 302 53.882 68.076 42.365 0.62 41.69 H new ATOM 0 HD23BLEU A 302 58.065 68.516 43.770 0.38 41.69 H new ATOM 163 N GLY A 303 57.033 63.574 43.759 1.00 35.13 N ANISOU 163 N GLY A 303 4507 4437 4403 -435 -525 104 N ATOM 164 CA GLY A 303 56.858 62.274 43.181 1.00 38.99 C ANISOU 164 CA GLY A 303 4952 4978 4883 -414 -525 110 C ATOM 165 C GLY A 303 56.703 61.144 44.158 1.00 41.25 C ANISOU 165 C GLY A 303 5240 5282 5154 -393 -532 84 C ATOM 166 O GLY A 303 56.430 60.091 43.767 1.00 40.44 O ANISOU 166 O GLY A 303 5105 5216 5045 -373 -528 87 O ATOM 0 H AGLY A 303 57.832 63.885 43.692 0.62 35.13 H new ATOM 0 H BGLY A 303 57.813 63.933 43.718 0.38 35.13 H new ATOM 0 HA2 GLY A 303 56.075 62.295 42.609 1.00 38.99 H new ATOM 0 HA3 GLY A 303 57.620 62.086 42.612 1.00 38.99 H new ATOM 171 N GLU A 304 56.992 61.414 45.391 1.00 46.19 N ANISOU 171 N GLU A 304 5900 5880 5772 -401 -544 58 N ATOM 172 CA GLU A 304 56.774 60.469 46.448 1.00 53.60 C ANISOU 172 CA GLU A 304 6845 6828 6694 -379 -550 34 C ATOM 173 C GLU A 304 55.415 60.596 47.129 1.00 45.30 C ANISOU 173 C GLU A 304 5832 5741 5639 -342 -531 28 C ATOM 174 O GLU A 304 54.942 59.663 47.726 1.00 46.96 O ANISOU 174 O GLU A 304 6042 5964 5837 -314 -528 15 O ATOM 175 CB GLU A 304 57.875 60.575 47.498 1.00 65.09 C ANISOU 175 CB GLU A 304 8314 8279 8138 -408 -575 8 C ATOM 176 CG GLU A 304 58.553 61.923 47.668 1.00 73.70 C ANISOU 176 CG GLU A 304 9430 9335 9238 -447 -583 4 C ATOM 177 CD GLU A 304 60.061 61.778 47.731 1.00 81.02 C ANISOU 177 CD GLU A 304 10333 10290 10161 -487 -609 -8 C ATOM 178 OE1 GLU A 304 60.704 61.670 46.686 1.00 84.40 O ANISOU 178 OE1 GLU A 304 10724 10746 10596 -505 -614 9 O ATOM 179 OE2 GLU A 304 60.600 61.751 48.838 1.00 83.04 O ANISOU 179 OE2 GLU A 304 10607 10542 10404 -499 -626 -34 O ATOM 0 H GLU A 304 57.327 62.163 45.650 1.00 46.19 H new ATOM 0 HA GLU A 304 56.792 59.598 46.021 1.00 53.60 H new ATOM 0 HB2 GLU A 304 57.498 60.319 48.354 1.00 65.09 H new ATOM 0 HB3 GLU A 304 58.558 59.921 47.283 1.00 65.09 H new ATOM 0 HG2 GLU A 304 58.313 62.504 46.929 1.00 73.70 H new ATOM 0 HG3 GLU A 304 58.233 62.348 48.479 1.00 73.70 H new ATOM 186 N GLU A 305 54.818 61.763 47.026 1.00 30.66 N ANISOU 186 N GLU A 305 4011 3842 3796 -342 -516 38 N ATOM 187 CA GLU A 305 53.565 62.085 47.690 1.00 23.68 C ANISOU 187 CA GLU A 305 3167 2918 2911 -310 -498 33 C ATOM 188 C GLU A 305 52.448 61.311 47.047 1.00 20.86 C ANISOU 188 C GLU A 305 2790 2583 2553 -270 -478 48 C ATOM 189 O GLU A 305 52.387 61.165 45.825 1.00 21.27 O ANISOU 189 O GLU A 305 2807 2661 2612 -269 -470 73 O ATOM 190 CB GLU A 305 53.266 63.585 47.621 1.00 26.64 C ANISOU 190 CB GLU A 305 3580 3241 3302 -322 -486 43 C ATOM 191 CG GLU A 305 54.356 64.386 48.289 1.00 32.47 C ANISOU 191 CG GLU A 305 4339 3957 4042 -364 -504 24 C ATOM 192 CD GLU A 305 54.316 65.871 47.980 1.00 37.08 C ANISOU 192 CD GLU A 305 4949 4493 4646 -384 -492 38 C ATOM 193 OE1 GLU A 305 53.364 66.320 47.308 1.00 34.51 O ANISOU 193 OE1 GLU A 305 4630 4149 4332 -362 -469 63 O ATOM 194 OE2 GLU A 305 55.242 66.586 48.428 1.00 38.92 O ANISOU 194 OE2 GLU A 305 5198 4708 4882 -421 -504 23 O ATOM 0 H GLU A 305 55.134 62.411 46.557 1.00 30.66 H new ATOM 0 HA GLU A 305 53.642 61.840 48.625 1.00 23.68 H new ATOM 0 HB2 GLU A 305 53.181 63.859 46.694 1.00 26.64 H new ATOM 0 HB3 GLU A 305 52.416 63.769 48.050 1.00 26.64 H new ATOM 0 HG2 GLU A 305 54.291 64.264 49.249 1.00 32.47 H new ATOM 0 HG3 GLU A 305 55.217 64.032 48.016 1.00 32.47 H new ATOM 201 N ASP A 306 51.550 60.818 47.873 1.00 25.75 N ANISOU 201 N ASP A 306 3431 3190 3162 -237 -469 33 N ATOM 202 CA ASP A 306 50.465 60.012 47.340 1.00 28.74 C ANISOU 202 CA ASP A 306 3790 3589 3539 -198 -449 43 C ATOM 203 C ASP A 306 49.564 60.841 46.422 1.00 25.21 C ANISOU 203 C ASP A 306 3349 3124 3107 -185 -427 71 C ATOM 204 O ASP A 306 49.345 62.024 46.646 1.00 24.48 O ANISOU 204 O ASP A 306 3293 2986 3024 -193 -421 76 O ATOM 205 CB ASP A 306 49.681 59.404 48.488 1.00 37.20 C ANISOU 205 CB ASP A 306 4888 4648 4599 -166 -443 20 C ATOM 206 CG ASP A 306 50.485 58.340 49.224 1.00 43.31 C ANISOU 206 CG ASP A 306 5647 5452 5358 -172 -462 -2 C ATOM 207 OD1 ASP A 306 51.405 57.737 48.608 1.00 43.86 O ANISOU 207 OD1 ASP A 306 5674 5563 5427 -190 -474 4 O ATOM 208 OD2 ASP A 306 50.208 58.127 50.415 1.00 44.70 O ANISOU 208 OD2 ASP A 306 5853 5610 5523 -158 -464 -24 O ATOM 0 H ASP A 306 51.545 60.931 48.725 1.00 25.75 H new ATOM 0 HA ASP A 306 50.834 59.295 46.801 1.00 28.74 H new ATOM 0 HB2 ASP A 306 49.424 60.103 49.110 1.00 37.20 H new ATOM 0 HB3 ASP A 306 48.862 59.012 48.148 1.00 37.20 H new ATOM 213 N ILE A 307 49.084 60.213 45.362 1.00 26.15 N ANISOU 213 N ILE A 307 3430 3280 3227 -167 -414 89 N ATOM 214 CA ILE A 307 48.150 60.862 44.474 1.00 22.47 C ANISOU 214 CA ILE A 307 2963 2803 2770 -150 -392 117 C ATOM 215 C ILE A 307 46.785 60.709 45.144 1.00 19.36 C ANISOU 215 C ILE A 307 2601 2385 2372 -109 -373 107 C ATOM 216 O ILE A 307 46.425 59.582 45.487 1.00 19.29 O ANISOU 216 O ILE A 307 2579 2399 2352 -86 -371 91 O ATOM 217 CB ILE A 307 48.184 60.247 43.085 1.00 21.97 C ANISOU 217 CB ILE A 307 2846 2793 2709 -147 -386 138 C ATOM 218 CG1 ILE A 307 49.555 60.471 42.416 1.00 25.46 C ANISOU 218 CG1 ILE A 307 3260 3258 3157 -189 -405 149 C ATOM 219 CG2 ILE A 307 47.043 60.813 42.226 1.00 20.73 C ANISOU 219 CG2 ILE A 307 2689 2629 2559 -123 -361 166 C ATOM 220 CD1 ILE A 307 49.745 59.662 41.204 1.00 27.48 C ANISOU 220 CD1 ILE A 307 3458 3571 3411 -190 -402 163 C ATOM 0 H ILE A 307 49.290 59.408 45.142 1.00 26.15 H new ATOM 0 HA ILE A 307 48.369 61.797 44.337 1.00 22.47 H new ATOM 0 HB ILE A 307 48.055 59.289 43.167 1.00 21.97 H new ATOM 0 HG12 ILE A 307 49.649 61.410 42.190 1.00 25.46 H new ATOM 0 HG13 ILE A 307 50.257 60.261 43.052 1.00 25.46 H new ATOM 0 HG21 ILE A 307 47.074 60.414 41.342 1.00 20.73 H new ATOM 0 HG22 ILE A 307 46.191 60.608 42.643 1.00 20.73 H new ATOM 0 HG23 ILE A 307 47.142 61.775 42.150 1.00 20.73 H new ATOM 0 HD11 ILE A 307 50.620 59.843 40.828 1.00 27.48 H new ATOM 0 HD12 ILE A 307 49.679 58.721 41.429 1.00 27.48 H new ATOM 0 HD13 ILE A 307 49.061 59.887 40.554 1.00 27.48 H new ATOM 232 N PRO A 308 46.038 61.811 45.360 1.00 17.63 N ANISOU 232 N PRO A 308 2421 2117 2161 -99 -359 115 N ATOM 233 CA PRO A 308 44.716 61.717 46.001 1.00 18.26 C ANISOU 233 CA PRO A 308 2530 2170 2236 -60 -341 106 C ATOM 234 C PRO A 308 43.734 60.809 45.280 1.00 17.55 C ANISOU 234 C PRO A 308 2409 2118 2142 -25 -323 115 C ATOM 235 O PRO A 308 43.644 60.839 44.054 1.00 14.84 O ANISOU 235 O PRO A 308 2031 1805 1803 -25 -315 141 O ATOM 236 CB PRO A 308 44.206 63.163 45.977 1.00 21.91 C ANISOU 236 CB PRO A 308 3031 2580 2714 -61 -328 123 C ATOM 237 CG PRO A 308 45.465 63.982 45.988 1.00 25.03 C ANISOU 237 CG PRO A 308 3433 2961 3118 -105 -345 124 C ATOM 238 CD PRO A 308 46.395 63.222 45.099 1.00 24.37 C ANISOU 238 CD PRO A 308 3296 2933 3030 -124 -359 133 C ATOM 0 HA PRO A 308 44.793 61.326 46.885 1.00 18.26 H new ATOM 0 HB2 PRO A 308 43.672 63.340 45.187 1.00 21.91 H new ATOM 0 HB3 PRO A 308 43.647 63.357 46.746 1.00 21.91 H new ATOM 0 HG2 PRO A 308 45.308 64.879 45.655 1.00 25.03 H new ATOM 0 HG3 PRO A 308 45.824 64.071 46.885 1.00 25.03 H new ATOM 0 HD2 PRO A 308 46.270 63.456 44.166 1.00 24.37 H new ATOM 0 HD3 PRO A 308 47.323 63.402 45.315 1.00 24.37 H new ATOM 246 N ARG A 309 43.005 60.024 46.068 1.00 16.32 N ANISOU 246 N ARG A 309 2265 1961 1976 4 -315 93 N ATOM 247 CA ARG A 309 42.132 58.988 45.521 1.00 14.64 C ANISOU 247 CA ARG A 309 2021 1786 1757 37 -298 95 C ATOM 248 C ARG A 309 40.663 59.326 45.656 1.00 13.13 C ANISOU 248 C ARG A 309 1855 1568 1567 74 -274 99 C ATOM 249 O ARG A 309 39.808 58.560 45.197 1.00 13.36 O ANISOU 249 O ARG A 309 1859 1626 1590 103 -257 101 O ATOM 250 CB ARG A 309 42.425 57.641 46.198 1.00 18.15 C ANISOU 250 CB ARG A 309 2451 2257 2189 43 -306 68 C ATOM 251 CG ARG A 309 43.596 56.925 45.456 1.00 20.37 C ANISOU 251 CG ARG A 309 2681 2589 2469 17 -321 72 C ATOM 252 CD ARG A 309 44.129 55.761 46.218 1.00 22.86 C ANISOU 252 CD ARG A 309 2986 2924 2774 17 -332 46 C ATOM 253 NE ARG A 309 45.344 55.215 45.603 1.00 19.63 N ANISOU 253 NE ARG A 309 2533 2559 2367 -12 -348 50 N ATOM 254 CZ ARG A 309 45.368 54.243 44.707 1.00 19.59 C ANISOU 254 CZ ARG A 309 2478 2603 2362 -6 -340 55 C ATOM 255 NH1 ARG A 309 44.225 53.682 44.273 1.00 14.61 N ANISOU 255 NH1 ARG A 309 1833 1989 1731 27 -316 56 N ATOM 256 NH2 ARG A 309 46.549 53.801 44.286 1.00 20.80 N ANISOU 256 NH2 ARG A 309 2595 2790 2516 -34 -356 56 N ATOM 0 H ARG A 309 43.001 60.075 46.926 1.00 16.32 H new ATOM 0 HA ARG A 309 42.323 58.930 44.572 1.00 14.64 H new ATOM 0 HB2 ARG A 309 42.658 57.781 47.129 1.00 18.15 H new ATOM 0 HB3 ARG A 309 41.632 57.083 46.184 1.00 18.15 H new ATOM 0 HG2 ARG A 309 43.288 56.625 44.587 1.00 20.37 H new ATOM 0 HG3 ARG A 309 44.312 57.560 45.300 1.00 20.37 H new ATOM 0 HD2 ARG A 309 44.322 56.032 47.129 1.00 22.86 H new ATOM 0 HD3 ARG A 309 43.452 55.068 46.266 1.00 22.86 H new ATOM 0 HE ARG A 309 46.097 55.553 45.843 1.00 19.63 H new ATOM 0 HH11 ARG A 309 43.469 53.955 44.579 1.00 14.61 H new ATOM 0 HH12 ARG A 309 44.250 53.050 43.690 1.00 14.61 H new ATOM 0 HH21 ARG A 309 47.273 54.147 44.596 1.00 20.80 H new ATOM 0 HH22 ARG A 309 46.589 53.169 43.704 1.00 20.80 H new ATOM 270 N GLU A 310 40.361 60.505 46.211 1.00 13.13 N ANISOU 270 N GLU A 310 1901 1513 1573 73 -271 102 N ATOM 271 CA GLU A 310 38.968 60.920 46.319 1.00 15.33 C ANISOU 271 CA GLU A 310 2206 1764 1855 108 -247 108 C ATOM 272 C GLU A 310 38.483 61.532 44.999 1.00 10.90 C ANISOU 272 C GLU A 310 1623 1216 1303 115 -232 145 C ATOM 273 O GLU A 310 39.280 61.999 44.201 1.00 14.01 O ANISOU 273 O GLU A 310 1997 1623 1705 88 -241 165 O ATOM 274 CB GLU A 310 38.752 61.939 47.452 1.00 28.75 C ANISOU 274 CB GLU A 310 3966 3398 3560 105 -247 97 C ATOM 275 CG GLU A 310 39.913 62.880 47.719 1.00 48.66 C ANISOU 275 CG GLU A 310 6505 5892 6090 64 -266 97 C ATOM 276 CD GLU A 310 40.956 62.251 48.639 1.00 63.77 C ANISOU 276 CD GLU A 310 8421 7815 7993 41 -290 68 C ATOM 277 OE1 GLU A 310 42.100 62.061 48.193 1.00 58.94 O ANISOU 277 OE1 GLU A 310 7780 7232 7381 11 -307 72 O ATOM 278 OE2 GLU A 310 40.631 61.932 49.802 1.00 77.85 O ANISOU 278 OE2 GLU A 310 10234 9578 9767 54 -291 41 O ATOM 0 H GLU A 310 40.936 61.064 46.523 1.00 13.13 H new ATOM 0 HA GLU A 310 38.455 60.122 46.523 1.00 15.33 H new ATOM 0 HB2 GLU A 310 37.968 62.470 47.242 1.00 28.75 H new ATOM 0 HB3 GLU A 310 38.556 61.454 48.269 1.00 28.75 H new ATOM 0 HG2 GLU A 310 40.330 63.125 46.878 1.00 48.66 H new ATOM 0 HG3 GLU A 310 39.580 63.698 48.120 1.00 48.66 H new ATOM 285 N PRO A 311 37.160 61.572 44.801 1.00 15.47 N ANISOU 285 N PRO A 311 2207 1789 1881 152 -209 152 N ATOM 286 CA PRO A 311 36.622 62.206 43.597 1.00 17.40 C ANISOU 286 CA PRO A 311 2433 2045 2133 162 -193 189 C ATOM 287 C PRO A 311 36.878 63.723 43.582 1.00 14.93 C ANISOU 287 C PRO A 311 2153 1682 1836 144 -193 210 C ATOM 288 O PRO A 311 36.856 64.391 44.622 1.00 19.85 O ANISOU 288 O PRO A 311 2825 2252 2466 139 -195 196 O ATOM 289 CB PRO A 311 35.125 61.897 43.660 1.00 16.65 C ANISOU 289 CB PRO A 311 2344 1950 2033 206 -169 186 C ATOM 290 CG PRO A 311 34.960 60.860 44.709 1.00 19.52 C ANISOU 290 CG PRO A 311 2719 2314 2385 218 -173 149 C ATOM 291 CD PRO A 311 36.110 60.991 45.646 1.00 16.20 C ANISOU 291 CD PRO A 311 2321 1868 1965 186 -196 129 C ATOM 0 HA PRO A 311 37.043 61.874 42.788 1.00 17.40 H new ATOM 0 HB2 PRO A 311 34.616 62.693 43.877 1.00 16.65 H new ATOM 0 HB3 PRO A 311 34.801 61.578 42.803 1.00 16.65 H new ATOM 0 HG2 PRO A 311 34.120 60.980 45.179 1.00 19.52 H new ATOM 0 HG3 PRO A 311 34.940 59.974 44.314 1.00 19.52 H new ATOM 0 HD2 PRO A 311 35.896 61.564 46.399 1.00 16.20 H new ATOM 0 HD3 PRO A 311 36.376 60.132 46.010 1.00 16.20 H new ATOM 299 N ARG A 312 37.111 64.243 42.389 1.00 10.78 N ANISOU 299 N ARG A 312 1600 1178 1319 134 -189 245 N ATOM 300 CA ARG A 312 37.412 65.650 42.172 1.00 16.20 C ANISOU 300 CA ARG A 312 2310 1822 2022 116 -187 270 C ATOM 301 C ARG A 312 36.490 66.146 41.073 1.00 14.20 C ANISOU 301 C ARG A 312 2040 1582 1774 142 -165 309 C ATOM 302 O ARG A 312 36.117 65.361 40.177 1.00 12.60 O ANISOU 302 O ARG A 312 1792 1436 1560 158 -159 319 O ATOM 303 CB ARG A 312 38.863 65.875 41.739 1.00 16.96 C ANISOU 303 CB ARG A 312 2388 1933 2125 72 -207 278 C ATOM 304 CG ARG A 312 39.934 65.366 42.658 1.00 20.68 C ANISOU 304 CG ARG A 312 2867 2401 2590 44 -231 244 C ATOM 305 CD ARG A 312 40.668 64.208 42.039 1.00 17.50 C ANISOU 305 CD ARG A 312 2412 2062 2175 31 -246 239 C ATOM 306 NE ARG A 312 41.223 64.509 40.714 1.00 16.56 N ANISOU 306 NE ARG A 312 2255 1976 2063 13 -247 271 N ATOM 307 CZ ARG A 312 41.476 63.588 39.785 1.00 15.44 C ANISOU 307 CZ ARG A 312 2059 1896 1911 11 -250 277 C ATOM 308 NH1 ARG A 312 41.301 62.316 40.049 1.00 13.22 N ANISOU 308 NH1 ARG A 312 1758 1649 1617 25 -253 253 N ATOM 309 NH2 ARG A 312 41.963 63.930 38.602 1.00 15.89 N ANISOU 309 NH2 ARG A 312 2084 1981 1974 -6 -251 307 N ATOM 0 H ARG A 312 37.099 63.779 41.665 1.00 10.78 H new ATOM 0 HA ARG A 312 37.282 66.129 43.005 1.00 16.20 H new ATOM 0 HB2 ARG A 312 38.987 65.459 40.872 1.00 16.96 H new ATOM 0 HB3 ARG A 312 38.997 66.828 41.618 1.00 16.96 H new ATOM 0 HG2 ARG A 312 40.559 66.080 42.859 1.00 20.68 H new ATOM 0 HG3 ARG A 312 39.539 65.090 43.500 1.00 20.68 H new ATOM 0 HD2 ARG A 312 41.388 63.938 42.630 1.00 17.50 H new ATOM 0 HD3 ARG A 312 40.063 63.453 41.965 1.00 17.50 H new ATOM 0 HE ARG A 312 41.395 65.330 40.526 1.00 16.56 H new ATOM 0 HH11 ARG A 312 41.022 62.072 40.825 1.00 13.22 H new ATOM 0 HH12 ARG A 312 41.466 61.725 39.446 1.00 13.22 H new ATOM 0 HH21 ARG A 312 42.120 64.757 38.424 1.00 15.89 H new ATOM 0 HH22 ARG A 312 42.122 63.325 38.011 1.00 15.89 H new ATOM 323 N ARG A 313 36.153 67.432 41.138 1.00 12.54 N ANISOU 323 N ARG A 313 1864 1321 1580 145 -152 330 N ATOM 324 CA ARG A 313 35.411 68.095 40.074 1.00 13.88 C ANISOU 324 CA ARG A 313 2019 1499 1756 166 -131 372 C ATOM 325 C ARG A 313 36.378 68.877 39.176 1.00 16.75 C ANISOU 325 C ARG A 313 2366 1867 2132 134 -136 405 C ATOM 326 O ARG A 313 37.141 69.706 39.674 1.00 18.41 O ANISOU 326 O ARG A 313 2607 2032 2357 105 -144 402 O ATOM 327 CB ARG A 313 34.359 69.029 40.645 1.00 16.05 C ANISOU 327 CB ARG A 313 2340 1714 2042 192 -110 379 C ATOM 328 CG ARG A 313 33.555 69.726 39.536 1.00 18.59 C ANISOU 328 CG ARG A 313 2647 2046 2371 217 -87 426 C ATOM 329 CD ARG A 313 32.479 70.627 40.068 1.00 23.49 C ANISOU 329 CD ARG A 313 3312 2609 3004 245 -65 434 C ATOM 330 NE ARG A 313 31.563 69.944 40.959 1.00 25.92 N ANISOU 330 NE ARG A 313 3639 2909 3301 273 -60 402 N ATOM 331 CZ ARG A 313 31.605 69.983 42.291 1.00 31.24 C ANISOU 331 CZ ARG A 313 4357 3536 3978 267 -66 366 C ATOM 332 NH1 ARG A 313 32.545 70.662 42.952 1.00 31.01 N ANISOU 332 NH1 ARG A 313 4359 3461 3962 232 -77 355 N ATOM 333 NH2 ARG A 313 30.678 69.331 42.974 1.00 32.36 N ANISOU 333 NH2 ARG A 313 4512 3676 4108 296 -59 340 N ATOM 0 H ARG A 313 36.349 67.943 41.801 1.00 12.54 H new ATOM 0 HA ARG A 313 34.959 67.418 39.547 1.00 13.88 H new ATOM 0 HB2 ARG A 313 33.756 68.527 41.216 1.00 16.05 H new ATOM 0 HB3 ARG A 313 34.787 69.697 41.203 1.00 16.05 H new ATOM 0 HG2 ARG A 313 34.160 70.245 38.983 1.00 18.59 H new ATOM 0 HG3 ARG A 313 33.153 69.054 38.964 1.00 18.59 H new ATOM 0 HD2 ARG A 313 32.889 71.369 40.539 1.00 23.49 H new ATOM 0 HD3 ARG A 313 31.981 71.003 39.325 1.00 23.49 H new ATOM 0 HE ARG A 313 30.940 69.474 40.598 1.00 25.92 H new ATOM 0 HH11 ARG A 313 33.150 71.093 42.518 1.00 31.01 H new ATOM 0 HH12 ARG A 313 32.546 70.669 43.812 1.00 31.01 H new ATOM 0 HH21 ARG A 313 30.065 68.894 42.558 1.00 32.36 H new ATOM 0 HH22 ARG A 313 30.688 69.344 43.834 1.00 32.36 H new ATOM 347 N ILE A 314 36.349 68.594 37.869 1.00 13.43 N ANISOU 347 N ILE A 314 1896 1503 1705 139 -132 434 N ATOM 348 CA ILE A 314 37.207 69.281 36.886 1.00 13.55 C ANISOU 348 CA ILE A 314 1890 1529 1731 112 -136 468 C ATOM 349 C ILE A 314 36.296 69.997 35.906 1.00 13.71 C ANISOU 349 C ILE A 314 1899 1555 1755 140 -112 514 C ATOM 350 O ILE A 314 35.416 69.365 35.312 1.00 16.34 O ANISOU 350 O ILE A 314 2202 1934 2074 171 -101 522 O ATOM 351 CB ILE A 314 38.136 68.323 36.154 1.00 13.56 C ANISOU 351 CB ILE A 314 1838 1595 1718 89 -154 464 C ATOM 352 CG1 ILE A 314 39.164 67.721 37.116 1.00 15.57 C ANISOU 352 CG1 ILE A 314 2104 1841 1970 58 -179 422 C ATOM 353 CG2 ILE A 314 38.906 69.072 35.066 1.00 18.27 C ANISOU 353 CG2 ILE A 314 2412 2204 2325 64 -155 502 C ATOM 354 CD1 ILE A 314 38.717 66.486 37.804 1.00 18.64 C ANISOU 354 CD1 ILE A 314 2489 2251 2343 77 -183 385 C ATOM 0 H ILE A 314 35.832 67.999 37.525 1.00 13.43 H new ATOM 0 HA ILE A 314 37.783 69.909 37.349 1.00 13.55 H new ATOM 0 HB ILE A 314 37.589 67.620 35.769 1.00 13.56 H new ATOM 0 HG12 ILE A 314 39.976 67.526 36.622 1.00 15.57 H new ATOM 0 HG13 ILE A 314 39.391 68.386 37.785 1.00 15.57 H new ATOM 0 HG21 ILE A 314 39.496 68.456 34.604 1.00 18.27 H new ATOM 0 HG22 ILE A 314 38.280 69.456 34.432 1.00 18.27 H new ATOM 0 HG23 ILE A 314 39.432 69.780 35.470 1.00 18.27 H new ATOM 0 HD11 ILE A 314 39.421 66.170 38.392 1.00 18.64 H new ATOM 0 HD12 ILE A 314 37.922 66.676 38.326 1.00 18.64 H new ATOM 0 HD13 ILE A 314 38.516 65.803 37.145 1.00 18.64 H new ATOM 366 N VAL A 315 36.499 71.293 35.705 1.00 13.27 N ANISOU 366 N VAL A 315 1866 1455 1719 130 -102 545 N ATOM 367 CA VAL A 315 35.698 71.998 34.693 1.00 17.02 C ANISOU 367 CA VAL A 315 2328 1940 2200 157 -79 593 C ATOM 368 C VAL A 315 36.614 72.403 33.558 1.00 19.11 C ANISOU 368 C VAL A 315 2559 2233 2470 130 -83 628 C ATOM 369 O VAL A 315 37.541 73.175 33.756 1.00 20.00 O ANISOU 369 O VAL A 315 2692 2306 2600 97 -89 632 O ATOM 370 CB VAL A 315 34.957 73.198 35.294 1.00 24.68 C ANISOU 370 CB VAL A 315 3350 2837 3190 175 -57 607 C ATOM 371 CG1 VAL A 315 34.104 73.898 34.240 1.00 32.24 C ANISOU 371 CG1 VAL A 315 4291 3806 4151 206 -32 660 C ATOM 372 CG2 VAL A 315 34.061 72.729 36.441 1.00 22.87 C ANISOU 372 CG2 VAL A 315 3153 2583 2954 201 -54 570 C ATOM 0 H VAL A 315 37.074 71.775 36.125 1.00 13.27 H new ATOM 0 HA VAL A 315 35.009 71.407 34.351 1.00 17.02 H new ATOM 0 HB VAL A 315 35.617 73.827 35.626 1.00 24.68 H new ATOM 0 HG11 VAL A 315 33.646 74.652 34.643 1.00 32.24 H new ATOM 0 HG12 VAL A 315 34.673 74.213 33.520 1.00 32.24 H new ATOM 0 HG13 VAL A 315 33.450 73.275 33.886 1.00 32.24 H new ATOM 0 HG21 VAL A 315 33.594 73.490 36.819 1.00 22.87 H new ATOM 0 HG22 VAL A 315 33.415 72.088 36.106 1.00 22.87 H new ATOM 0 HG23 VAL A 315 34.605 72.311 37.127 1.00 22.87 H new ATOM 382 N ILE A 316 36.347 71.884 32.365 1.00 19.28 N ANISOU 382 N ILE A 316 2527 2322 2475 144 -80 653 N ATOM 383 CA ILE A 316 37.155 72.200 31.203 1.00 20.13 C ANISOU 383 CA ILE A 316 2600 2464 2586 121 -83 688 C ATOM 384 C ILE A 316 36.368 73.133 30.286 1.00 23.00 C ANISOU 384 C ILE A 316 2957 2828 2956 148 -58 742 C ATOM 385 O ILE A 316 35.228 72.853 29.952 1.00 20.35 O ANISOU 385 O ILE A 316 2605 2519 2607 187 -43 754 O ATOM 386 CB ILE A 316 37.544 70.963 30.442 1.00 18.86 C ANISOU 386 CB ILE A 316 2380 2383 2402 112 -98 677 C ATOM 387 CG1 ILE A 316 38.500 70.105 31.265 1.00 20.75 C ANISOU 387 CG1 ILE A 316 2624 2623 2637 81 -124 628 C ATOM 388 CG2 ILE A 316 38.225 71.337 29.113 1.00 22.63 C ANISOU 388 CG2 ILE A 316 2817 2900 2880 93 -99 719 C ATOM 389 CD1 ILE A 316 38.717 68.737 30.638 1.00 21.51 C ANISOU 389 CD1 ILE A 316 2663 2797 2711 78 -135 613 C ATOM 0 H ILE A 316 35.697 71.343 32.210 1.00 19.28 H new ATOM 0 HA ILE A 316 37.969 72.630 31.509 1.00 20.13 H new ATOM 0 HB ILE A 316 36.735 70.460 30.260 1.00 18.86 H new ATOM 0 HG12 ILE A 316 39.352 70.561 31.349 1.00 20.75 H new ATOM 0 HG13 ILE A 316 38.147 69.997 32.162 1.00 20.75 H new ATOM 0 HG21 ILE A 316 38.469 70.529 28.636 1.00 22.63 H new ATOM 0 HG22 ILE A 316 37.613 71.860 28.571 1.00 22.63 H new ATOM 0 HG23 ILE A 316 39.023 71.859 29.293 1.00 22.63 H new ATOM 0 HD11 ILE A 316 39.328 68.222 31.188 1.00 21.51 H new ATOM 0 HD12 ILE A 316 37.868 68.271 30.576 1.00 21.51 H new ATOM 0 HD13 ILE A 316 39.093 68.844 29.750 1.00 21.51 H new ATOM 401 N HIS A 317 36.997 74.213 29.839 1.00 23.46 N ANISOU 401 N HIS A 317 3022 2858 3032 128 -53 777 N ATOM 402 CA HIS A 317 36.361 75.112 28.902 1.00 27.39 C ANISOU 402 CA HIS A 317 3511 3359 3537 152 -28 833 C ATOM 403 C HIS A 317 37.029 74.923 27.561 1.00 28.12 C ANISOU 403 C HIS A 317 3549 3515 3619 136 -35 863 C ATOM 404 O HIS A 317 38.208 75.264 27.411 1.00 29.98 O ANISOU 404 O HIS A 317 3784 3740 3867 96 -46 866 O ATOM 405 CB HIS A 317 36.472 76.564 29.375 1.00 33.23 C ANISOU 405 CB HIS A 317 4303 4015 4309 146 -12 853 C ATOM 406 CG HIS A 317 35.992 76.762 30.767 1.00 35.15 C ANISOU 406 CG HIS A 317 4600 4191 4563 155 -8 818 C ATOM 407 ND1 HIS A 317 34.650 76.856 31.085 1.00 34.93 N ANISOU 407 ND1 HIS A 317 4590 4148 4533 199 11 822 N ATOM 408 CD2 HIS A 317 36.663 76.844 31.936 1.00 37.14 C ANISOU 408 CD2 HIS A 317 4892 4392 4826 126 -22 776 C ATOM 409 CE1 HIS A 317 34.521 76.996 32.388 1.00 33.77 C ANISOU 409 CE1 HIS A 317 4493 3942 4397 196 9 785 C ATOM 410 NE2 HIS A 317 35.729 77.009 32.931 1.00 36.48 N ANISOU 410 NE2 HIS A 317 4851 4262 4748 152 -10 757 N ATOM 0 H HIS A 317 37.794 74.439 30.070 1.00 23.46 H new ATOM 0 HA HIS A 317 35.414 74.912 28.834 1.00 27.39 H new ATOM 0 HB2 HIS A 317 37.397 76.848 29.314 1.00 33.23 H new ATOM 0 HB3 HIS A 317 35.961 77.133 28.778 1.00 33.23 H new ATOM 0 HD2 HIS A 317 37.585 76.798 32.047 1.00 37.14 H new ATOM 0 HE1 HIS A 317 33.717 77.073 32.849 1.00 33.77 H new ATOM 0 HE2 HIS A 317 35.901 77.105 33.768 1.00 36.48 H new ATOM 418 N ARG A 318 36.314 74.338 26.598 1.00 27.76 N ANISOU 418 N ARG A 318 3457 3541 3552 163 -28 883 N ATOM 419 CA ARG A 318 36.961 73.994 25.327 1.00 29.34 C ANISOU 419 CA ARG A 318 3600 3810 3738 146 -36 907 C ATOM 420 C ARG A 318 36.285 74.563 24.085 1.00 32.78 C ANISOU 420 C ARG A 318 4004 4283 4168 174 -14 966 C ATOM 421 O ARG A 318 36.672 74.210 22.968 1.00 31.30 O ANISOU 421 O ARG A 318 3765 4161 3966 164 -19 986 O ATOM 422 CB ARG A 318 37.075 72.475 25.165 1.00 26.80 C ANISOU 422 CB ARG A 318 3234 3559 3390 141 -53 869 C ATOM 423 CG ARG A 318 35.844 71.698 25.486 1.00 25.76 C ANISOU 423 CG ARG A 318 3097 3450 3241 180 -45 847 C ATOM 424 CD ARG A 318 34.897 71.671 24.316 1.00 21.67 C ANISOU 424 CD ARG A 318 2536 2993 2705 214 -27 886 C ATOM 425 NE ARG A 318 33.766 70.760 24.571 1.00 21.70 N ANISOU 425 NE ARG A 318 2529 3028 2690 249 -21 860 N ATOM 426 CZ ARG A 318 33.687 69.499 24.135 1.00 21.19 C ANISOU 426 CZ ARG A 318 2416 3036 2602 249 -28 835 C ATOM 427 NH1 ARG A 318 34.674 68.964 23.419 1.00 19.82 N ANISOU 427 NH1 ARG A 318 2199 2912 2420 217 -43 833 N ATOM 428 NH2 ARG A 318 32.617 68.754 24.431 1.00 17.54 N ANISOU 428 NH2 ARG A 318 1947 2594 2124 281 -19 811 N ATOM 0 H ARG A 318 35.480 74.137 26.655 1.00 27.76 H new ATOM 0 HA ARG A 318 37.836 74.409 25.386 1.00 29.34 H new ATOM 0 HB2 ARG A 318 37.330 72.282 24.249 1.00 26.80 H new ATOM 0 HB3 ARG A 318 37.795 72.159 25.733 1.00 26.80 H new ATOM 0 HG2 ARG A 318 36.086 70.791 25.731 1.00 25.76 H new ATOM 0 HG3 ARG A 318 35.402 72.091 26.255 1.00 25.76 H new ATOM 0 HD2 ARG A 318 34.564 72.566 24.145 1.00 21.67 H new ATOM 0 HD3 ARG A 318 35.371 71.388 23.519 1.00 21.67 H new ATOM 0 HE ARG A 318 33.108 71.063 25.035 1.00 21.70 H new ATOM 0 HH11 ARG A 318 35.372 69.431 23.233 1.00 19.82 H new ATOM 0 HH12 ARG A 318 34.614 68.152 23.143 1.00 19.82 H new ATOM 0 HH21 ARG A 318 31.979 69.086 24.902 1.00 17.54 H new ATOM 0 HH22 ARG A 318 32.567 67.943 24.150 1.00 17.54 H new ATOM 442 N GLY A 319 35.286 75.427 24.245 1.00 32.13 N ANISOU 442 N GLY A 319 3951 4161 4097 209 10 994 N ATOM 443 CA GLY A 319 34.586 75.946 23.072 1.00 36.84 C ANISOU 443 CA GLY A 319 4517 4796 4686 239 31 1052 C ATOM 444 C GLY A 319 34.096 74.845 22.128 1.00 34.74 C ANISOU 444 C GLY A 319 4187 4627 4385 257 27 1052 C ATOM 445 O GLY A 319 33.360 73.947 22.555 1.00 34.22 O ANISOU 445 O GLY A 319 4116 4584 4303 277 25 1017 O ATOM 0 H GLY A 319 35.003 75.720 25.003 1.00 32.13 H new ATOM 0 HA2 GLY A 319 33.827 76.476 23.363 1.00 36.84 H new ATOM 0 HA3 GLY A 319 35.178 76.541 22.586 1.00 36.84 H new ATOM 449 N SER A 320 34.495 74.905 20.855 1.00 29.81 N ANISOU 449 N SER A 320 3515 4062 3750 248 28 1090 N ATOM 450 CA SER A 320 34.138 73.847 19.888 1.00 26.46 C ANISOU 450 CA SER A 320 3026 3736 3292 260 24 1088 C ATOM 451 C SER A 320 35.363 73.150 19.328 1.00 24.76 C ANISOU 451 C SER A 320 2770 3569 3068 217 2 1072 C ATOM 452 O SER A 320 35.571 73.097 18.117 1.00 24.47 O ANISOU 452 O SER A 320 2684 3597 3016 213 4 1105 O ATOM 453 CB SER A 320 33.292 74.427 18.751 1.00 30.29 C ANISOU 453 CB SER A 320 3479 4261 3767 293 47 1139 C ATOM 454 OG SER A 320 32.033 74.820 19.266 1.00 30.93 O ANISOU 454 OG SER A 320 3591 4307 3853 332 67 1135 O ATOM 0 H SER A 320 34.970 75.543 20.528 1.00 29.81 H new ATOM 0 HA SER A 320 33.618 73.182 20.366 1.00 26.46 H new ATOM 0 HB2 SER A 320 33.743 75.188 18.353 1.00 30.29 H new ATOM 0 HB3 SER A 320 33.176 73.767 18.050 1.00 30.29 H new ATOM 0 HG SER A 320 31.599 74.139 19.496 1.00 30.93 H new ATOM 460 N ATHR A 321 36.199 72.630 20.220 0.42 28.39 N ANISOU 460 N ATHR A 321 3251 3998 3536 185 -19 1023 N ATOM 461 N BTHR A 321 36.184 72.642 20.247 0.58 28.40 N ANISOU 461 N BTHR A 321 3254 3998 3538 185 -18 1023 N ATOM 462 CA ATHR A 321 37.293 71.762 19.811 0.42 26.50 C ANISOU 462 CA ATHR A 321 2974 3809 3288 146 -41 1000 C ATOM 463 CA BTHR A 321 37.363 71.848 19.919 0.58 26.58 C ANISOU 463 CA BTHR A 321 2990 3809 3301 144 -41 999 C ATOM 464 C ATHR A 321 37.310 70.578 20.753 0.42 23.74 C ANISOU 464 C ATHR A 321 2631 3459 2931 140 -56 937 C ATOM 465 C BTHR A 321 37.295 70.573 20.754 0.58 23.74 C ANISOU 465 C BTHR A 321 2631 3460 2931 140 -56 937 C ATOM 466 O ATHR A 321 36.586 70.558 21.753 0.42 22.35 O ANISOU 466 O ATHR A 321 2493 3238 2759 162 -50 914 O ATOM 467 O BTHR A 321 36.489 70.486 21.690 0.58 22.06 O ANISOU 467 O BTHR A 321 2452 3209 2720 165 -49 914 O ATOM 468 CB ATHR A 321 38.671 72.465 19.834 0.42 26.60 C ANISOU 468 CB ATHR A 321 3004 3781 3323 102 -53 1010 C ATOM 469 CB BTHR A 321 38.692 72.600 20.222 0.58 26.47 C ANISOU 469 CB BTHR A 321 3006 3740 3313 101 -53 1003 C ATOM 470 OG1ATHR A 321 39.671 71.565 19.344 0.42 24.48 O ANISOU 470 OG1ATHR A 321 2692 3567 3042 67 -73 988 O ATOM 471 OG1BTHR A 321 38.776 72.898 21.622 0.58 26.19 O ANISOU 471 OG1BTHR A 321 3031 3623 3297 95 -57 970 O ATOM 472 CG2ATHR A 321 39.044 72.902 21.244 0.42 26.95 C ANISOU 472 CG2ATHR A 321 3113 3735 3392 87 -59 979 C ATOM 473 CG2BTHR A 321 38.790 73.903 19.432 0.58 26.62 C ANISOU 473 CG2BTHR A 321 3027 3742 3344 103 -36 1065 C ATOM 0 H ATHR A 321 36.149 72.768 21.067 0.42 28.40 H new ATOM 0 H BTHR A 321 36.068 72.752 21.092 0.58 28.40 H new ATOM 0 HA ATHR A 321 37.143 71.493 18.891 0.42 26.58 H new ATOM 0 HA BTHR A 321 37.362 71.659 18.968 0.58 26.58 H new ATOM 0 HB ATHR A 321 38.619 73.253 19.271 0.42 26.47 H new ATOM 0 HB BTHR A 321 39.424 72.021 19.957 0.58 26.47 H new ATOM 0 HG1ATHR A 321 40.362 71.630 19.817 0.42 26.19 H new ATOM 0 HG1BTHR A 321 38.086 73.312 21.862 0.58 26.19 H new ATOM 0 HG21ATHR A 321 39.910 73.339 21.229 0.42 26.62 H new ATOM 0 HG21BTHR A 321 39.627 74.347 19.642 0.58 26.62 H new ATOM 0 HG22ATHR A 321 38.376 73.521 21.579 0.42 26.62 H new ATOM 0 HG22BTHR A 321 38.757 73.709 18.482 0.58 26.62 H new ATOM 0 HG23ATHR A 321 39.084 72.125 21.824 0.42 26.62 H new ATOM 0 HG23BTHR A 321 38.049 74.482 19.669 0.58 26.62 H new ATOM 488 N GLY A 322 38.122 69.586 20.418 1.00 23.39 N ANISOU 488 N GLY A 322 2546 3465 2874 111 -74 910 N ATOM 489 CA GLY A 322 38.234 68.409 21.237 1.00 19.52 C ANISOU 489 CA GLY A 322 2058 2981 2378 104 -88 852 C ATOM 490 C GLY A 322 38.746 68.706 22.638 1.00 18.27 C ANISOU 490 C GLY A 322 1959 2740 2241 86 -100 821 C ATOM 491 O GLY A 322 39.418 69.702 22.870 1.00 18.92 O ANISOU 491 O GLY A 322 2075 2770 2345 66 -102 839 O ATOM 0 H AGLY A 322 38.617 69.582 19.714 0.42 23.39 H new ATOM 0 H BGLY A 322 38.622 69.588 19.718 0.58 23.39 H new ATOM 0 HA2 GLY A 322 37.366 67.981 21.299 1.00 19.52 H new ATOM 0 HA3 GLY A 322 38.832 67.777 20.807 1.00 19.52 H new ATOM 495 N LEU A 323 38.451 67.799 23.562 1.00 14.62 N ANISOU 495 N LEU A 323 1510 2271 1774 94 -106 773 N ATOM 496 CA LEU A 323 38.895 67.915 24.945 1.00 17.25 C ANISOU 496 CA LEU A 323 1897 2534 2123 79 -118 739 C ATOM 497 C LEU A 323 40.383 67.597 25.077 1.00 14.47 C ANISOU 497 C LEU A 323 1538 2183 1778 32 -142 718 C ATOM 498 O LEU A 323 41.063 68.058 25.995 1.00 17.62 O ANISOU 498 O LEU A 323 1980 2522 2194 9 -153 702 O ATOM 499 CB LEU A 323 38.095 66.963 25.819 1.00 11.60 C ANISOU 499 CB LEU A 323 1192 1818 1398 103 -116 696 C ATOM 500 CG LEU A 323 36.684 67.443 26.095 1.00 16.56 C ANISOU 500 CG LEU A 323 1846 2420 2025 148 -94 709 C ATOM 501 CD1 LEU A 323 35.770 66.291 26.430 1.00 16.05 C ANISOU 501 CD1 LEU A 323 1768 2388 1943 175 -88 674 C ATOM 502 CD2 LEU A 323 36.746 68.475 27.226 1.00 20.78 C ANISOU 502 CD2 LEU A 323 2449 2864 2583 145 -93 707 C ATOM 0 H LEU A 323 37.984 67.094 23.403 1.00 14.62 H new ATOM 0 HA LEU A 323 38.752 68.830 25.233 1.00 17.25 H new ATOM 0 HB2 LEU A 323 38.056 66.095 25.389 1.00 11.60 H new ATOM 0 HB3 LEU A 323 38.559 66.841 26.662 1.00 11.60 H new ATOM 0 HG LEU A 323 36.311 67.858 25.301 1.00 16.56 H new ATOM 0 HD11 LEU A 323 34.876 66.626 26.602 1.00 16.05 H new ATOM 0 HD12 LEU A 323 35.745 65.670 25.685 1.00 16.05 H new ATOM 0 HD13 LEU A 323 36.101 65.834 27.219 1.00 16.05 H new ATOM 0 HD21 LEU A 323 35.852 68.797 27.420 1.00 20.78 H new ATOM 0 HD22 LEU A 323 37.120 68.063 28.020 1.00 20.78 H new ATOM 0 HD23 LEU A 323 37.305 69.220 26.955 1.00 20.78 H new ATOM 514 N GLY A 324 40.887 66.780 24.165 1.00 14.64 N ANISOU 514 N GLY A 324 1503 2274 1785 16 -150 716 N ATOM 515 CA GLY A 324 42.299 66.455 24.166 1.00 15.46 C ANISOU 515 CA GLY A 324 1594 2385 1894 -29 -173 699 C ATOM 516 C GLY A 324 42.688 65.342 25.115 1.00 11.14 C ANISOU 516 C GLY A 324 1052 1836 1344 -40 -189 646 C ATOM 517 O GLY A 324 43.768 65.407 25.748 1.00 11.65 O ANISOU 517 O GLY A 324 1137 1870 1420 -73 -208 626 O ATOM 0 H GLY A 324 40.429 66.406 23.540 1.00 14.64 H new ATOM 0 HA2 GLY A 324 42.562 66.204 23.267 1.00 15.46 H new ATOM 0 HA3 GLY A 324 42.802 67.252 24.397 1.00 15.46 H new ATOM 521 N PHE A 325 41.865 64.307 25.202 1.00 15.13 N ANISOU 521 N PHE A 325 1538 2378 1834 -14 -182 622 N ATOM 522 CA PHE A 325 42.320 63.084 25.853 1.00 11.87 C ANISOU 522 CA PHE A 325 1116 1979 1417 -26 -196 574 C ATOM 523 C PHE A 325 41.629 61.870 25.269 1.00 11.27 C ANISOU 523 C PHE A 325 989 1972 1322 -6 -185 560 C ATOM 524 O PHE A 325 40.640 61.983 24.550 1.00 12.80 O ANISOU 524 O PHE A 325 1163 2197 1505 23 -167 582 O ATOM 525 CB PHE A 325 42.139 63.148 27.385 1.00 11.09 C ANISOU 525 CB PHE A 325 1074 1813 1326 -18 -201 543 C ATOM 526 CG PHE A 325 40.713 63.252 27.863 1.00 12.00 C ANISOU 526 CG PHE A 325 1215 1907 1437 25 -181 541 C ATOM 527 CD1 PHE A 325 39.998 62.126 28.154 1.00 12.87 C ANISOU 527 CD1 PHE A 325 1310 2045 1534 48 -174 510 C ATOM 528 CD2 PHE A 325 40.121 64.498 28.073 1.00 13.64 C ANISOU 528 CD2 PHE A 325 1465 2063 1656 42 -169 569 C ATOM 529 CE1 PHE A 325 38.700 62.202 28.654 1.00 15.28 C ANISOU 529 CE1 PHE A 325 1640 2328 1836 88 -157 506 C ATOM 530 CE2 PHE A 325 38.841 64.594 28.551 1.00 13.79 C ANISOU 530 CE2 PHE A 325 1508 2060 1671 81 -151 566 C ATOM 531 CZ PHE A 325 38.115 63.439 28.851 1.00 15.38 C ANISOU 531 CZ PHE A 325 1694 2291 1859 104 -146 534 C ATOM 0 H PHE A 325 41.060 64.288 24.900 1.00 15.13 H new ATOM 0 HA PHE A 325 43.271 63.000 25.681 1.00 11.87 H new ATOM 0 HB2 PHE A 325 42.538 62.355 27.776 1.00 11.09 H new ATOM 0 HB3 PHE A 325 42.634 63.911 27.722 1.00 11.09 H new ATOM 0 HD1 PHE A 325 40.385 61.292 28.016 1.00 12.87 H new ATOM 0 HD2 PHE A 325 40.601 65.272 27.886 1.00 13.64 H new ATOM 0 HE1 PHE A 325 38.230 61.425 28.854 1.00 15.28 H new ATOM 0 HE2 PHE A 325 38.454 65.430 28.676 1.00 13.79 H new ATOM 0 HZ PHE A 325 37.247 63.501 29.180 1.00 15.38 H new ATOM 541 N AASN A 326 42.179 60.707 25.584 0.44 11.37 N ANISOU 541 N AASN A 326 1583 1622 1114 -374 -316 52 N ATOM 542 N BASN A 326 42.204 60.705 25.557 0.56 11.50 N ANISOU 542 N BASN A 326 1598 1640 1131 -375 -317 51 N ATOM 543 CA AASN A 326 41.614 59.445 25.158 0.44 13.45 C ANISOU 543 CA AASN A 326 1812 1879 1421 -410 -267 20 C ATOM 544 CA BASN A 326 41.693 59.406 25.123 0.56 13.41 C ANISOU 544 CA BASN A 326 1805 1874 1416 -410 -269 18 C ATOM 545 C AASN A 326 41.051 58.724 26.338 0.44 12.30 C ANISOU 545 C AASN A 326 1722 1659 1293 -375 -215 42 C ATOM 546 C BASN A 326 41.107 58.677 26.305 0.56 12.24 C ANISOU 546 C BASN A 326 1712 1651 1285 -376 -216 40 C ATOM 547 O AASN A 326 41.533 58.871 27.467 0.44 12.08 O ANISOU 547 O AASN A 326 1764 1576 1249 -322 -221 69 O ATOM 548 O BASN A 326 41.651 58.764 27.407 0.56 12.09 O ANISOU 548 O BASN A 326 1764 1577 1253 -324 -223 64 O ATOM 549 CB AASN A 326 42.649 58.563 24.503 0.44 18.63 C ANISOU 549 CB AASN A 326 2443 2541 2096 -433 -281 -28 C ATOM 550 CB BASN A 326 42.795 58.538 24.526 0.56 18.57 C ANISOU 550 CB BASN A 326 2439 2531 2088 -431 -285 -30 C ATOM 551 CG AASN A 326 43.368 59.254 23.383 0.44 21.98 C ANISOU 551 CG AASN A 326 2816 3035 2501 -464 -337 -51 C ATOM 552 CG BASN A 326 42.927 58.691 23.017 0.56 23.63 C ANISOU 552 CG BASN A 326 2997 3250 2732 -489 -311 -67 C ATOM 553 OD1AASN A 326 42.804 60.053 22.640 0.44 22.42 O ANISOU 553 OD1AASN A 326 2824 3149 2544 -493 -351 -46 O ATOM 554 OD1BASN A 326 42.889 59.795 22.474 0.56 22.60 O ANISOU 554 OD1BASN A 326 2839 3174 2575 -501 -348 -57 O ATOM 555 ND2AASN A 326 44.633 58.959 23.265 0.44 25.39 N ANISOU 555 ND2AASN A 326 3258 3459 2930 -458 -369 -75 N ATOM 556 ND2BASN A 326 43.091 57.567 22.335 0.56 29.74 N ANISOU 556 ND2BASN A 326 3732 4030 3540 -526 -292 -112 N ATOM 0 H AASN A 326 42.895 60.631 26.054 0.44 11.50 H new ATOM 0 H BASN A 326 42.924 60.646 26.024 0.56 11.50 H new ATOM 0 HA AASN A 326 40.918 59.639 24.510 0.44 13.41 H new ATOM 0 HA BASN A 326 41.020 59.568 24.444 0.56 13.41 H new ATOM 0 HB2AASN A 326 43.294 58.277 25.169 0.44 18.57 H new ATOM 0 HB2BASN A 326 43.640 58.766 24.944 0.56 18.57 H new ATOM 0 HB3AASN A 326 42.219 57.763 24.162 0.44 18.57 H new ATOM 0 HB3BASN A 326 42.616 57.608 24.737 0.56 18.57 H new ATOM 0 HD21AASN A 326 45.105 59.329 22.649 0.44 29.74 H new ATOM 0 HD21BASN A 326 43.176 57.592 21.480 0.56 29.74 H new ATOM 0 HD22AASN A 326 44.995 58.395 23.803 0.44 29.74 H new ATOM 0 HD22BASN A 326 43.113 56.813 22.748 0.56 29.74 H new ATOM 569 N ILE A 327 40.028 57.931 26.061 1.00 15.17 N ANISOU 569 N ILE A 327 2054 2022 1689 -405 -164 30 N ATOM 570 CA ILE A 327 39.426 57.069 27.065 1.00 14.97 C ANISOU 570 CA ILE A 327 2073 1928 1687 -379 -108 45 C ATOM 571 C ILE A 327 39.533 55.619 26.623 1.00 18.14 C ANISOU 571 C ILE A 327 2448 2315 2131 -409 -75 0 C ATOM 572 O ILE A 327 39.627 55.325 25.429 1.00 15.80 O ANISOU 572 O ILE A 327 2085 2071 1849 -459 -84 -39 O ATOM 573 CB ILE A 327 37.923 57.420 27.313 1.00 13.38 C ANISOU 573 CB ILE A 327 1865 1730 1488 -382 -69 76 C ATOM 574 CG1 ILE A 327 37.121 57.402 26.014 1.00 14.56 C ANISOU 574 CG1 ILE A 327 1931 1948 1653 -444 -58 51 C ATOM 575 CG2 ILE A 327 37.806 58.770 27.965 1.00 15.89 C ANISOU 575 CG2 ILE A 327 2222 2050 1766 -344 -96 124 C ATOM 576 CD1 ILE A 327 35.580 57.421 26.181 1.00 20.32 C ANISOU 576 CD1 ILE A 327 2649 2678 2396 -454 -9 74 C ATOM 0 H AILE A 327 39.662 57.877 25.285 0.44 15.17 H new ATOM 0 H BILE A 327 39.626 57.915 25.301 0.56 15.17 H new ATOM 0 HA ILE A 327 39.908 57.207 27.896 1.00 14.97 H new ATOM 0 HB ILE A 327 37.556 56.743 27.903 1.00 13.38 H new ATOM 0 HG12 ILE A 327 37.382 58.169 25.480 1.00 14.56 H new ATOM 0 HG13 ILE A 327 37.367 56.609 25.512 1.00 14.56 H new ATOM 0 HG21 ILE A 327 36.870 58.978 28.114 1.00 15.89 H new ATOM 0 HG22 ILE A 327 38.274 58.761 28.815 1.00 15.89 H new ATOM 0 HG23 ILE A 327 38.198 59.444 27.387 1.00 15.89 H new ATOM 0 HD11 ILE A 327 35.159 57.408 25.307 1.00 20.32 H new ATOM 0 HD12 ILE A 327 35.299 56.642 26.686 1.00 20.32 H new ATOM 0 HD13 ILE A 327 35.316 58.225 26.654 1.00 20.32 H new ATOM 588 N VAL A 328 39.527 54.730 27.605 1.00 12.12 N ANISOU 588 N VAL A 328 1737 1481 1386 -378 -38 7 N ATOM 589 CA VAL A 328 39.508 53.302 27.365 1.00 16.75 C ANISOU 589 CA VAL A 328 2306 2044 2014 -401 1 -30 C ATOM 590 C VAL A 328 38.380 52.735 28.199 1.00 15.56 C ANISOU 590 C VAL A 328 2185 1844 1885 -385 62 -7 C ATOM 591 O VAL A 328 38.070 53.194 29.293 1.00 15.31 O ANISOU 591 O VAL A 328 2210 1770 1835 -340 71 35 O ATOM 592 CB VAL A 328 40.852 52.613 27.720 1.00 18.90 C ANISOU 592 CB VAL A 328 2615 2275 2291 -379 -17 -52 C ATOM 593 CG1 VAL A 328 41.925 53.004 26.773 1.00 21.13 C ANISOU 593 CG1 VAL A 328 2860 2609 2558 -402 -73 -81 C ATOM 594 CG2 VAL A 328 41.276 52.953 29.151 1.00 17.79 C ANISOU 594 CG2 VAL A 328 2562 2070 2128 -313 -23 -12 C ATOM 0 H VAL A 328 39.534 54.944 28.438 1.00 12.12 H new ATOM 0 HA VAL A 328 39.374 53.135 26.419 1.00 16.75 H new ATOM 0 HB VAL A 328 40.714 51.655 27.650 1.00 18.90 H new ATOM 0 HG11 VAL A 328 42.751 52.559 27.019 1.00 21.13 H new ATOM 0 HG12 VAL A 328 41.673 52.744 25.873 1.00 21.13 H new ATOM 0 HG13 VAL A 328 42.053 53.965 26.807 1.00 21.13 H new ATOM 0 HG21 VAL A 328 42.117 52.513 29.353 1.00 17.79 H new ATOM 0 HG22 VAL A 328 41.385 53.913 29.237 1.00 17.79 H new ATOM 0 HG23 VAL A 328 40.595 52.648 29.771 1.00 17.79 H new ATOM 604 N GLY A 329 37.743 51.732 27.661 1.00 14.34 N ANISOU 604 N GLY A 329 1988 1694 1767 -424 104 -36 N ATOM 605 CA GLY A 329 36.785 50.995 28.446 1.00 17.04 C ANISOU 605 CA GLY A 329 2357 1982 2133 -409 164 -19 C ATOM 606 C GLY A 329 36.574 49.676 27.766 1.00 28.25 C ANISOU 606 C GLY A 329 3732 3404 3596 -452 201 -64 C ATOM 607 O GLY A 329 37.290 49.284 26.840 1.00 24.64 O ANISOU 607 O GLY A 329 3233 2980 3150 -485 179 -105 O ATOM 0 H GLY A 329 37.845 51.459 26.852 1.00 14.34 H new ATOM 0 HA2 GLY A 329 37.111 50.865 29.350 1.00 17.04 H new ATOM 0 HA3 GLY A 329 35.949 51.483 28.513 1.00 17.04 H new ATOM 611 N THR A 330 35.538 48.995 28.200 1.00 40.75 N ANISOU 611 N THR A 330 5324 4955 5206 -452 258 -54 N ATOM 612 CA THR A 330 35.041 47.880 27.429 1.00 54.96 C ANISOU 612 CA THR A 330 7069 6766 7046 -499 296 -93 C ATOM 613 C THR A 330 33.645 48.235 26.908 1.00 65.18 C ANISOU 613 C THR A 330 8315 8102 8347 -533 323 -83 C ATOM 614 O THR A 330 33.143 49.341 27.141 1.00 62.32 O ANISOU 614 O THR A 330 7963 7758 7957 -518 310 -47 O ATOM 615 CB THR A 330 35.035 46.645 28.287 1.00 54.38 C ANISOU 615 CB THR A 330 7039 6619 7002 -476 342 -97 C ATOM 616 OG1 THR A 330 34.153 46.863 29.383 1.00 52.45 O ANISOU 616 OG1 THR A 330 6846 6331 6754 -440 376 -52 O ATOM 617 CG2 THR A 330 36.464 46.404 28.837 1.00 52.71 C ANISOU 617 CG2 THR A 330 6878 6367 6781 -441 310 -104 C ATOM 0 H THR A 330 35.112 49.158 28.929 1.00 40.75 H new ATOM 0 HA THR A 330 35.611 47.698 26.666 1.00 54.96 H new ATOM 0 HB THR A 330 34.748 45.878 27.768 1.00 54.38 H new ATOM 0 HG1 THR A 330 34.579 46.795 30.104 1.00 52.45 H new ATOM 0 HG21 THR A 330 36.467 45.608 29.392 1.00 52.71 H new ATOM 0 HG22 THR A 330 37.080 46.285 28.097 1.00 52.71 H new ATOM 0 HG23 THR A 330 36.740 47.168 29.367 1.00 52.71 H new ATOM 625 N GLU A 331 33.116 47.459 25.982 1.00 74.90 N ANISOU 625 N GLU A 331 9485 9363 9611 -583 351 -118 N ATOM 626 CA GLU A 331 31.693 47.504 25.723 1.00 84.35 C ANISOU 626 CA GLU A 331 10648 10580 10822 -609 391 -107 C ATOM 627 C GLU A 331 30.968 46.846 26.932 1.00 87.20 C ANISOU 627 C GLU A 331 11063 10867 11200 -574 447 -80 C ATOM 628 O GLU A 331 29.780 46.927 27.058 1.00 85.26 O ANISOU 628 O GLU A 331 10809 10624 10963 -581 483 -61 O ATOM 629 CB GLU A 331 31.329 46.967 24.317 1.00 90.36 C ANISOU 629 CB GLU A 331 11323 11399 11610 -675 401 -152 C ATOM 0 H GLU A 331 33.558 46.904 25.496 1.00 74.90 H new ATOM 0 HA GLU A 331 31.371 48.417 25.668 1.00 84.35 H new ATOM 632 N ASP A 332 31.712 46.236 27.864 1.00100.24 N ANISOU 632 N ASP A 332 12776 12454 12856 -534 452 -77 N ATOM 633 CA ASP A 332 31.088 45.675 29.086 1.00 97.64 C ANISOU 633 CA ASP A 332 12504 12053 12541 -497 502 -49 C ATOM 634 C ASP A 332 30.522 46.764 29.992 1.00 86.28 C ANISOU 634 C ASP A 332 11112 10600 11071 -456 499 5 C ATOM 635 O ASP A 332 29.489 46.586 30.623 1.00 89.38 O ANISOU 635 O ASP A 332 11525 10962 11474 -443 544 31 O ATOM 636 CB ASP A 332 32.072 44.843 29.938 1.00101.17 C ANISOU 636 CB ASP A 332 13011 12433 12997 -459 505 -56 C ATOM 637 CG ASP A 332 32.641 43.641 29.215 1.00103.82 C ANISOU 637 CG ASP A 332 13311 12771 13367 -494 513 -108 C ATOM 638 OD1 ASP A 332 33.829 43.687 28.830 1.00101.10 O ANISOU 638 OD1 ASP A 332 12961 12441 13012 -496 470 -132 O ATOM 639 OD2 ASP A 332 31.914 42.636 29.069 1.00108.54 O ANISOU 639 OD2 ASP A 332 13887 13355 14001 -517 562 -125 O ATOM 0 H ASP A 332 32.565 46.135 27.815 1.00100.24 H new ATOM 0 HA ASP A 332 30.378 45.103 28.754 1.00 97.64 H new ATOM 0 HB2 ASP A 332 32.802 45.414 30.223 1.00101.17 H new ATOM 0 HB3 ASP A 332 31.617 44.542 30.740 1.00101.17 H new ATOM 644 N GLY A 333 31.231 47.878 30.091 1.00 78.42 N ANISOU 644 N GLY A 333 10135 9624 10036 -434 446 23 N ATOM 645 CA GLY A 333 30.846 48.937 31.005 1.00 76.40 C ANISOU 645 CA GLY A 333 9928 9351 9748 -391 439 75 C ATOM 646 C GLY A 333 31.352 48.733 32.423 1.00 77.01 C ANISOU 646 C GLY A 333 10092 9351 9817 -330 445 102 C ATOM 647 O GLY A 333 30.553 48.760 33.365 1.00 74.11 O ANISOU 647 O GLY A 333 9765 8941 9450 -300 480 138 O ATOM 0 H GLY A 333 31.942 48.040 29.635 1.00 78.42 H new ATOM 0 HA2 GLY A 333 31.182 49.782 30.668 1.00 76.40 H new ATOM 0 HA3 GLY A 333 29.878 49.003 31.022 1.00 76.40 H new ATOM 651 N GLU A 334 32.669 48.517 32.559 1.00 66.97 N ANISOU 651 N GLU A 334 8845 8061 8538 -312 412 86 N ATOM 652 CA GLU A 334 33.347 48.278 33.856 1.00 58.10 C ANISOU 652 CA GLU A 334 7804 6865 7408 -254 413 107 C ATOM 653 C GLU A 334 34.239 49.479 34.250 1.00 43.16 C ANISOU 653 C GLU A 334 5950 4979 5471 -216 355 133 C ATOM 654 O GLU A 334 35.220 49.364 35.010 1.00 40.71 O ANISOU 654 O GLU A 334 5696 4624 5150 -176 337 139 O ATOM 655 CB GLU A 334 34.182 47.011 33.767 1.00 63.35 C ANISOU 655 CB GLU A 334 8472 7498 8101 -260 422 68 C ATOM 656 CG GLU A 334 33.445 45.891 33.063 1.00 76.50 C ANISOU 656 CG GLU A 334 10084 9173 9810 -308 469 34 C ATOM 657 CD GLU A 334 34.291 44.666 32.844 1.00 87.33 C ANISOU 657 CD GLU A 334 11451 10520 11209 -319 475 -8 C ATOM 658 OE1 GLU A 334 34.985 44.239 33.797 1.00 92.15 O ANISOU 658 OE1 GLU A 334 12123 11070 11820 -277 477 0 O ATOM 659 OE2 GLU A 334 34.255 44.131 31.713 1.00 89.07 O ANISOU 659 OE2 GLU A 334 11606 10784 11453 -370 478 -50 O ATOM 0 H GLU A 334 33.208 48.504 31.889 1.00 66.97 H new ATOM 0 HA GLU A 334 32.670 48.173 34.543 1.00 58.10 H new ATOM 0 HB2 GLU A 334 35.007 47.201 33.294 1.00 63.35 H new ATOM 0 HB3 GLU A 334 34.428 46.724 34.660 1.00 63.35 H new ATOM 0 HG2 GLU A 334 32.664 45.648 33.585 1.00 76.50 H new ATOM 0 HG3 GLU A 334 33.124 46.212 32.206 1.00 76.50 H new ATOM 666 N GLY A 335 33.884 50.624 33.696 1.00 29.83 N ANISOU 666 N GLY A 335 4229 3348 3757 -232 327 147 N ATOM 667 CA GLY A 335 34.584 51.868 33.962 1.00 23.09 C ANISOU 667 CA GLY A 335 3404 2509 2860 -202 273 172 C ATOM 668 C GLY A 335 35.155 52.439 32.691 1.00 19.26 C ANISOU 668 C GLY A 335 2857 2098 2362 -241 223 144 C ATOM 669 O GLY A 335 35.517 51.735 31.795 1.00 18.48 O ANISOU 669 O GLY A 335 2712 2025 2286 -281 222 100 O ATOM 0 H GLY A 335 33.224 50.703 33.150 1.00 29.83 H new ATOM 0 HA2 GLY A 335 33.976 52.507 34.365 1.00 23.09 H new ATOM 0 HA3 GLY A 335 35.297 51.713 34.601 1.00 23.09 H new ATOM 673 N ILE A 336 35.239 53.751 32.646 1.00 20.02 N ANISOU 673 N ILE A 336 2956 2229 2421 -230 183 170 N ATOM 674 CA ILE A 336 35.819 54.494 31.561 1.00 17.52 C ANISOU 674 CA ILE A 336 2589 1981 2085 -260 130 150 C ATOM 675 C ILE A 336 37.000 55.233 32.134 1.00 13.68 C ANISOU 675 C ILE A 336 2154 1480 1565 -217 79 167 C ATOM 676 O ILE A 336 36.841 55.942 33.063 1.00 12.57 O ANISOU 676 O ILE A 336 2066 1312 1400 -174 74 208 O ATOM 677 CB ILE A 336 34.826 55.542 31.020 1.00 20.94 C ANISOU 677 CB ILE A 336 2981 2472 2502 -283 125 170 C ATOM 678 CG1 ILE A 336 33.538 54.885 30.559 1.00 25.25 C ANISOU 678 CG1 ILE A 336 3481 3031 3081 -323 179 159 C ATOM 679 CG2 ILE A 336 35.431 56.305 29.891 1.00 19.29 C ANISOU 679 CG2 ILE A 336 2720 2336 2274 -315 71 149 C ATOM 680 CD1 ILE A 336 33.758 53.973 29.429 1.00 27.82 C ANISOU 680 CD1 ILE A 336 3744 3389 3437 -375 185 107 C ATOM 0 H ILE A 336 34.945 54.254 33.278 1.00 20.02 H new ATOM 0 HA ILE A 336 36.062 53.893 30.839 1.00 17.52 H new ATOM 0 HB ILE A 336 34.621 56.154 31.744 1.00 20.94 H new ATOM 0 HG12 ILE A 336 33.144 54.394 31.297 1.00 25.25 H new ATOM 0 HG13 ILE A 336 32.901 55.570 30.301 1.00 25.25 H new ATOM 0 HG21 ILE A 336 34.794 56.959 29.564 1.00 19.29 H new ATOM 0 HG22 ILE A 336 36.230 56.760 30.199 1.00 19.29 H new ATOM 0 HG23 ILE A 336 35.663 55.694 29.175 1.00 19.29 H new ATOM 0 HD11 ILE A 336 32.914 53.575 29.165 1.00 27.82 H new ATOM 0 HD12 ILE A 336 34.129 54.467 28.682 1.00 27.82 H new ATOM 0 HD13 ILE A 336 34.376 53.274 29.693 1.00 27.82 H new ATOM 692 N PHE A 337 38.162 55.044 31.548 1.00 13.06 N ANISOU 692 N PHE A 337 2058 1419 1484 -230 41 134 N ATOM 693 CA PHE A 337 39.402 55.561 32.136 1.00 12.35 C ANISOU 693 CA PHE A 337 2021 1308 1365 -187 -5 145 C ATOM 694 C PHE A 337 40.154 56.419 31.125 1.00 11.46 C ANISOU 694 C PHE A 337 1865 1263 1228 -212 -65 128 C ATOM 695 O PHE A 337 40.120 56.176 29.938 1.00 12.56 O ANISOU 695 O PHE A 337 1936 1454 1381 -263 -71 92 O ATOM 696 CB PHE A 337 40.302 54.400 32.608 1.00 12.73 C ANISOU 696 CB PHE A 337 2105 1299 1434 -169 6 122 C ATOM 697 CG PHE A 337 39.640 53.532 33.618 1.00 14.69 C ANISOU 697 CG PHE A 337 2398 1479 1706 -144 63 138 C ATOM 698 CD1 PHE A 337 38.879 52.449 33.211 1.00 17.84 C ANISOU 698 CD1 PHE A 337 2760 1875 2145 -179 113 113 C ATOM 699 CD2 PHE A 337 39.751 53.800 34.947 1.00 14.35 C ANISOU 699 CD2 PHE A 337 2430 1376 1645 -86 67 178 C ATOM 700 CE1 PHE A 337 38.242 51.658 34.112 1.00 22.90 C ANISOU 700 CE1 PHE A 337 3440 2454 2807 -157 166 128 C ATOM 701 CE2 PHE A 337 39.101 52.988 35.878 1.00 17.62 C ANISOU 701 CE2 PHE A 337 2886 1728 2082 -63 122 193 C ATOM 702 CZ PHE A 337 38.357 51.940 35.461 1.00 20.50 C ANISOU 702 CZ PHE A 337 3214 2091 2486 -98 170 168 C ATOM 0 H PHE A 337 38.266 54.620 30.807 1.00 13.06 H new ATOM 0 HA PHE A 337 39.169 56.109 32.902 1.00 12.35 H new ATOM 0 HB2 PHE A 337 40.557 53.862 31.842 1.00 12.73 H new ATOM 0 HB3 PHE A 337 41.119 54.762 32.985 1.00 12.73 H new ATOM 0 HD1 PHE A 337 38.803 52.260 32.304 1.00 17.84 H new ATOM 0 HD2 PHE A 337 40.259 54.523 35.235 1.00 14.35 H new ATOM 0 HE1 PHE A 337 37.734 50.934 33.825 1.00 22.90 H new ATOM 0 HE2 PHE A 337 39.180 53.169 36.787 1.00 17.62 H new ATOM 0 HZ PHE A 337 37.920 51.406 36.084 1.00 20.50 H new ATOM 712 N ILE A 338 40.837 57.425 31.630 1.00 12.25 N ANISOU 712 N ILE A 338 2006 1359 1291 -174 -110 155 N ATOM 713 CA ILE A 338 41.695 58.239 30.799 1.00 11.33 C ANISOU 713 CA ILE A 338 1857 1300 1149 -191 -169 141 C ATOM 714 C ILE A 338 43.007 57.499 30.555 1.00 14.33 C ANISOU 714 C ILE A 338 2239 1666 1539 -193 -192 103 C ATOM 715 O ILE A 338 43.702 57.138 31.490 1.00 13.76 O ANISOU 715 O ILE A 338 2228 1536 1465 -151 -192 111 O ATOM 716 CB ILE A 338 41.951 59.590 31.452 1.00 11.89 C ANISOU 716 CB ILE A 338 1971 1370 1176 -149 -209 184 C ATOM 717 CG1 ILE A 338 40.622 60.342 31.686 1.00 15.72 C ANISOU 717 CG1 ILE A 338 2453 1869 1651 -147 -186 222 C ATOM 718 CG2 ILE A 338 43.010 60.424 30.630 1.00 10.37 C ANISOU 718 CG2 ILE A 338 1750 1234 957 -162 -275 168 C ATOM 719 CD1 ILE A 338 40.846 61.782 32.246 1.00 15.67 C ANISOU 719 CD1 ILE A 338 2484 1869 1599 -108 -228 265 C ATOM 0 H ILE A 338 40.817 57.655 32.458 1.00 12.25 H new ATOM 0 HA ILE A 338 41.257 58.401 29.949 1.00 11.33 H new ATOM 0 HB ILE A 338 42.344 59.450 32.328 1.00 11.89 H new ATOM 0 HG12 ILE A 338 40.131 60.395 30.851 1.00 15.72 H new ATOM 0 HG13 ILE A 338 40.073 59.838 32.306 1.00 15.72 H new ATOM 0 HG21 ILE A 338 43.157 61.279 31.064 1.00 10.37 H new ATOM 0 HG22 ILE A 338 43.847 59.935 30.590 1.00 10.37 H new ATOM 0 HG23 ILE A 338 42.678 60.571 29.730 1.00 10.37 H new ATOM 0 HD11 ILE A 338 39.988 62.215 32.377 1.00 15.67 H new ATOM 0 HD12 ILE A 338 41.315 61.730 33.094 1.00 15.67 H new ATOM 0 HD13 ILE A 338 41.374 62.296 31.616 1.00 15.67 H new ATOM 731 N SER A 339 43.357 57.304 29.291 1.00 12.97 N ANISOU 731 N SER A 339 1960 1368 1601 79 -75 272 N ATOM 732 CA SER A 339 44.593 56.621 28.938 1.00 12.09 C ANISOU 732 CA SER A 339 1794 1309 1490 130 -158 301 C ATOM 733 C SER A 339 45.730 57.523 28.505 1.00 14.66 C ANISOU 733 C SER A 339 2037 1684 1848 136 -171 337 C ATOM 734 O SER A 339 46.887 57.101 28.459 1.00 17.69 O ANISOU 734 O SER A 339 2387 2108 2228 160 -246 361 O ATOM 735 CB SER A 339 44.336 55.654 27.803 1.00 13.92 C ANISOU 735 CB SER A 339 1969 1583 1737 231 -165 301 C ATOM 736 OG SER A 339 43.747 56.364 26.718 1.00 14.90 O ANISOU 736 OG SER A 339 2024 1732 1904 274 -87 304 O ATOM 0 H SER A 339 42.888 57.562 28.618 1.00 12.97 H new ATOM 0 HA SER A 339 44.870 56.182 29.757 1.00 12.09 H new ATOM 0 HB2 SER A 339 45.166 55.239 27.521 1.00 13.92 H new ATOM 0 HB3 SER A 339 43.748 54.941 28.096 1.00 13.92 H new ATOM 0 HG SER A 339 43.907 55.960 25.999 1.00 14.90 H new ATOM 742 N PHE A 340 45.391 58.744 28.119 1.00 15.41 N ANISOU 742 N PHE A 340 2097 1780 1977 119 -100 341 N ATOM 743 CA PHE A 340 46.305 59.617 27.397 1.00 13.73 C ANISOU 743 CA PHE A 340 1790 1623 1804 140 -100 378 C ATOM 744 C PHE A 340 45.766 61.026 27.449 1.00 13.45 C ANISOU 744 C PHE A 340 1756 1560 1795 89 -21 374 C ATOM 745 O PHE A 340 44.583 61.222 27.202 1.00 12.50 O ANISOU 745 O PHE A 340 1654 1411 1683 93 49 350 O ATOM 746 CB PHE A 340 46.423 59.189 25.932 1.00 14.45 C ANISOU 746 CB PHE A 340 1778 1783 1928 246 -96 396 C ATOM 747 CG PHE A 340 47.290 60.083 25.092 1.00 14.35 C ANISOU 747 CG PHE A 340 1662 1833 1956 271 -91 434 C ATOM 748 CD1 PHE A 340 46.762 61.194 24.429 1.00 16.29 C ANISOU 748 CD1 PHE A 340 1863 2085 2243 270 -12 440 C ATOM 749 CD2 PHE A 340 48.630 59.760 24.882 1.00 17.92 C ANISOU 749 CD2 PHE A 340 2057 2344 2409 301 -166 465 C ATOM 750 CE1 PHE A 340 47.579 62.005 23.624 1.00 17.64 C ANISOU 750 CE1 PHE A 340 1935 2316 2452 293 -10 479 C ATOM 751 CE2 PHE A 340 49.436 60.569 24.104 1.00 18.27 C ANISOU 751 CE2 PHE A 340 2004 2448 2488 323 -163 502 C ATOM 752 CZ PHE A 340 48.914 61.683 23.462 1.00 16.36 C ANISOU 752 CZ PHE A 340 1719 2212 2287 319 -85 510 C ATOM 0 H PHE A 340 44.619 59.093 28.269 1.00 15.41 H new ATOM 0 HA PHE A 340 47.182 59.565 27.809 1.00 13.73 H new ATOM 0 HB2 PHE A 340 46.778 58.287 25.898 1.00 14.45 H new ATOM 0 HB3 PHE A 340 45.535 59.159 25.543 1.00 14.45 H new ATOM 0 HD1 PHE A 340 45.860 61.399 24.522 1.00 16.29 H new ATOM 0 HD2 PHE A 340 48.985 58.993 25.269 1.00 17.92 H new ATOM 0 HE1 PHE A 340 47.224 62.754 23.202 1.00 17.64 H new ATOM 0 HE2 PHE A 340 50.338 60.365 24.010 1.00 18.27 H new ATOM 0 HZ PHE A 340 49.460 62.211 22.925 1.00 16.36 H new ATOM 762 N ILE A 341 46.617 61.984 27.789 1.00 11.92 N ANISOU 762 N ILE A 341 1544 1373 1612 40 -35 398 N ATOM 763 CA ILE A 341 46.264 63.399 27.735 1.00 10.56 C ANISOU 763 CA ILE A 341 1361 1182 1471 -4 33 400 C ATOM 764 C ILE A 341 47.184 64.081 26.748 1.00 11.66 C ANISOU 764 C ILE A 341 1389 1388 1653 35 27 443 C ATOM 765 O ILE A 341 48.397 63.947 26.832 1.00 14.42 O ANISOU 765 O ILE A 341 1706 1776 1998 37 -39 472 O ATOM 766 CB ILE A 341 46.339 64.060 29.115 1.00 12.74 C ANISOU 766 CB ILE A 341 1723 1397 1722 -108 28 386 C ATOM 767 CG1 ILE A 341 45.279 63.428 30.054 1.00 17.35 C ANISOU 767 CG1 ILE A 341 2415 1914 2262 -147 43 341 C ATOM 768 CG2 ILE A 341 46.121 65.564 29.001 1.00 14.80 C ANISOU 768 CG2 ILE A 341 1963 1643 2019 -149 90 392 C ATOM 769 CD1 ILE A 341 45.542 63.669 31.440 1.00 22.27 C ANISOU 769 CD1 ILE A 341 3124 2488 2850 -237 14 329 C ATOM 0 H ILE A 341 47.419 61.833 28.059 1.00 11.92 H new ATOM 0 HA ILE A 341 45.343 63.488 27.443 1.00 10.56 H new ATOM 0 HB ILE A 341 47.222 63.911 29.488 1.00 12.74 H new ATOM 0 HG12 ILE A 341 44.404 63.782 29.830 1.00 17.35 H new ATOM 0 HG13 ILE A 341 45.246 62.471 29.898 1.00 17.35 H new ATOM 0 HG21 ILE A 341 46.172 65.966 29.882 1.00 14.80 H new ATOM 0 HG22 ILE A 341 46.805 65.948 28.431 1.00 14.80 H new ATOM 0 HG23 ILE A 341 45.247 65.736 28.617 1.00 14.80 H new ATOM 0 HD11 ILE A 341 44.850 63.253 31.978 1.00 22.27 H new ATOM 0 HD12 ILE A 341 46.405 63.293 31.676 1.00 22.27 H new ATOM 0 HD13 ILE A 341 45.550 64.625 31.607 1.00 22.27 H new ATOM 781 N LEU A 342 46.585 64.791 25.792 1.00 14.15 N ANISOU 781 N LEU A 342 1647 1719 2009 66 97 448 N ATOM 782 CA LEU A 342 47.351 65.454 24.740 1.00 13.72 C ANISOU 782 CA LEU A 342 1483 1732 1998 106 98 490 C ATOM 783 C LEU A 342 48.036 66.719 25.274 1.00 15.58 C ANISOU 783 C LEU A 342 1717 1955 2247 32 95 511 C ATOM 784 O LEU A 342 47.391 67.574 25.879 1.00 15.63 O ANISOU 784 O LEU A 342 1779 1904 2257 -32 143 491 O ATOM 785 CB LEU A 342 46.433 65.819 23.582 1.00 12.84 C ANISOU 785 CB LEU A 342 1315 1638 1926 160 175 487 C ATOM 786 CG LEU A 342 47.061 66.634 22.452 1.00 15.55 C ANISOU 786 CG LEU A 342 1544 2047 2316 197 188 530 C ATOM 787 CD1 LEU A 342 48.038 65.783 21.677 1.00 18.70 C ANISOU 787 CD1 LEU A 342 1863 2527 2715 273 127 559 C ATOM 788 CD2 LEU A 342 45.954 67.061 21.575 1.00 16.65 C ANISOU 788 CD2 LEU A 342 1654 2183 2489 231 271 519 C ATOM 0 H LEU A 342 45.734 64.900 25.736 1.00 14.15 H new ATOM 0 HA LEU A 342 48.036 64.841 24.431 1.00 13.72 H new ATOM 0 HB2 LEU A 342 46.078 64.999 23.205 1.00 12.84 H new ATOM 0 HB3 LEU A 342 45.680 66.318 23.936 1.00 12.84 H new ATOM 0 HG LEU A 342 47.547 67.398 22.800 1.00 15.55 H new ATOM 0 HD11 LEU A 342 48.430 66.309 20.963 1.00 18.70 H new ATOM 0 HD12 LEU A 342 48.739 65.472 22.271 1.00 18.70 H new ATOM 0 HD13 LEU A 342 47.574 65.020 21.298 1.00 18.70 H new ATOM 0 HD21 LEU A 342 46.308 67.585 20.839 1.00 16.65 H new ATOM 0 HD22 LEU A 342 45.498 66.280 21.225 1.00 16.65 H new ATOM 0 HD23 LEU A 342 45.328 67.600 22.083 1.00 16.65 H new ATOM 800 N ALA A 343 49.333 66.832 25.021 1.00 16.72 N ANISOU 800 N ALA A 343 1797 2156 2399 44 39 551 N ATOM 801 CA ALA A 343 50.098 68.005 25.416 1.00 18.60 C ANISOU 801 CA ALA A 343 2023 2391 2653 -19 30 577 C ATOM 802 C ALA A 343 49.516 69.210 24.715 1.00 19.64 C ANISOU 802 C ALA A 343 2110 2521 2831 -23 106 585 C ATOM 803 O ALA A 343 49.343 69.224 23.473 1.00 16.74 O ANISOU 803 O ALA A 343 1659 2206 2497 47 136 602 O ATOM 804 CB ALA A 343 51.593 67.851 25.064 1.00 22.56 C ANISOU 804 CB ALA A 343 2448 2967 3159 7 -42 621 C ATOM 0 H ALA A 343 49.794 66.230 24.615 1.00 16.72 H new ATOM 0 HA ALA A 343 50.041 68.113 26.378 1.00 18.60 H new ATOM 0 HB1 ALA A 343 52.074 68.647 25.339 1.00 22.56 H new ATOM 0 HB2 ALA A 343 51.956 67.079 25.525 1.00 22.56 H new ATOM 0 HB3 ALA A 343 51.689 67.730 24.106 1.00 22.56 H new ATOM 810 N GLY A 344 49.176 70.211 25.516 1.00 22.27 N ANISOU 810 N GLY A 344 2502 2793 3167 -103 137 572 N ATOM 811 CA GLY A 344 48.640 71.450 24.997 1.00 23.00 C ANISOU 811 CA GLY A 344 2562 2874 3303 -117 205 578 C ATOM 812 C GLY A 344 47.149 71.509 24.688 1.00 19.51 C ANISOU 812 C GLY A 344 2148 2392 2871 -100 285 541 C ATOM 813 O GLY A 344 46.623 72.589 24.308 1.00 16.26 O ANISOU 813 O GLY A 344 1716 1964 2497 -116 345 542 O ATOM 0 H GLY A 344 49.251 70.187 26.372 1.00 22.27 H new ATOM 0 HA2 GLY A 344 48.839 72.151 25.637 1.00 23.00 H new ATOM 0 HA3 GLY A 344 49.121 71.664 24.182 1.00 23.00 H new ATOM 817 N GLY A 345 46.435 70.395 24.851 1.00 15.28 N ANISOU 817 N GLY A 345 1661 1840 2306 -70 288 507 N ATOM 818 CA GLY A 345 45.002 70.396 24.635 1.00 16.87 C ANISOU 818 CA GLY A 345 1895 2002 2514 -57 361 469 C ATOM 819 C GLY A 345 44.210 70.920 25.828 1.00 17.32 C ANISOU 819 C GLY A 345 2056 1974 2550 -141 394 428 C ATOM 820 O GLY A 345 44.768 71.175 26.878 1.00 15.92 O ANISOU 820 O GLY A 345 1932 1768 2350 -208 356 427 O ATOM 0 H GLY A 345 46.765 69.636 25.085 1.00 15.28 H new ATOM 0 HA2 GLY A 345 44.799 70.939 23.857 1.00 16.87 H new ATOM 0 HA3 GLY A 345 44.711 69.493 24.434 1.00 16.87 H new ATOM 824 N PRO A 346 42.898 71.105 25.665 1.00 16.38 N ANISOU 824 N PRO A 346 1967 1818 2440 -136 466 393 N ATOM 825 CA PRO A 346 42.104 71.647 26.784 1.00 18.46 C ANISOU 825 CA PRO A 346 2326 2003 2683 -215 501 352 C ATOM 826 C PRO A 346 42.231 70.886 28.089 1.00 19.68 C ANISOU 826 C PRO A 346 2576 2121 2782 -265 453 327 C ATOM 827 O PRO A 346 42.336 71.525 29.132 1.00 22.37 O ANISOU 827 O PRO A 346 2977 2414 3107 -344 448 313 O ATOM 828 CB PRO A 346 40.675 71.569 26.247 1.00 19.30 C ANISOU 828 CB PRO A 346 2442 2102 2790 -173 557 306 C ATOM 829 CG PRO A 346 40.861 71.839 24.796 1.00 17.48 C ANISOU 829 CG PRO A 346 2109 1933 2602 -98 568 333 C ATOM 830 CD PRO A 346 42.110 71.035 24.425 1.00 18.44 C ANISOU 830 CD PRO A 346 2167 2106 2733 -64 524 393 C ATOM 0 HA PRO A 346 42.406 72.537 27.025 1.00 18.46 H new ATOM 0 HB2 PRO A 346 40.277 70.698 26.404 1.00 19.30 H new ATOM 0 HB3 PRO A 346 40.096 72.225 26.665 1.00 19.30 H new ATOM 0 HG2 PRO A 346 40.090 71.555 24.280 1.00 17.48 H new ATOM 0 HG3 PRO A 346 40.984 72.786 24.624 1.00 17.48 H new ATOM 0 HD2 PRO A 346 41.895 70.121 24.183 1.00 18.44 H new ATOM 0 HD3 PRO A 346 42.582 71.424 23.672 1.00 18.44 H new ATOM 838 N ALA A 347 42.186 69.555 28.066 1.00 14.80 N ANISOU 838 N ALA A 347 1974 1519 2132 -224 420 319 N ATOM 839 CA ALA A 347 42.350 68.793 29.286 1.00 15.22 C ANISOU 839 CA ALA A 347 2115 1538 2130 -271 370 299 C ATOM 840 C ALA A 347 43.708 69.072 29.944 1.00 21.11 C ANISOU 840 C ALA A 347 2861 2295 2867 -316 300 328 C ATOM 841 O ALA A 347 43.781 69.264 31.156 1.00 24.89 O ANISOU 841 O ALA A 347 3417 2725 3313 -392 281 309 O ATOM 842 CB ALA A 347 42.199 67.306 29.021 1.00 11.98 C ANISOU 842 CB ALA A 347 1709 1149 1693 -211 338 292 C ATOM 0 H ALA A 347 42.062 69.083 27.358 1.00 14.80 H new ATOM 0 HA ALA A 347 41.652 69.075 29.897 1.00 15.22 H new ATOM 0 HB1 ALA A 347 42.312 66.816 29.850 1.00 11.98 H new ATOM 0 HB2 ALA A 347 41.316 67.129 28.660 1.00 11.98 H new ATOM 0 HB3 ALA A 347 42.872 67.021 28.383 1.00 11.98 H new ATOM 848 N ASP A 348 44.780 69.070 29.161 1.00 18.60 N ANISOU 848 N ASP A 348 2454 2040 2574 -271 260 373 N ATOM 849 CA ASP A 348 46.099 69.415 29.698 1.00 19.14 C ANISOU 849 CA ASP A 348 2514 2123 2636 -312 196 403 C ATOM 850 C ASP A 348 46.069 70.819 30.312 1.00 21.66 C ANISOU 850 C ASP A 348 2859 2398 2971 -391 226 399 C ATOM 851 O ASP A 348 46.608 71.058 31.406 1.00 24.79 O ANISOU 851 O ASP A 348 3312 2765 3343 -461 188 396 O ATOM 852 CB ASP A 348 47.172 69.354 28.610 1.00 17.23 C ANISOU 852 CB ASP A 348 2161 1960 2425 -248 159 453 C ATOM 853 CG ASP A 348 48.577 69.624 29.157 1.00 18.12 C ANISOU 853 CG ASP A 348 2262 2092 2529 -288 89 485 C ATOM 854 OD1 ASP A 348 48.801 69.440 30.378 1.00 20.80 O ANISOU 854 OD1 ASP A 348 2683 2390 2831 -351 52 469 O ATOM 855 OD2 ASP A 348 49.443 70.015 28.363 1.00 18.13 O ANISOU 855 OD2 ASP A 348 2174 2152 2561 -256 71 527 O ATOM 0 H ASP A 348 44.770 68.874 28.324 1.00 18.60 H new ATOM 0 HA ASP A 348 46.320 68.766 30.384 1.00 19.14 H new ATOM 0 HB2 ASP A 348 47.154 68.480 28.191 1.00 17.23 H new ATOM 0 HB3 ASP A 348 46.966 70.004 27.920 1.00 17.23 H new ATOM 860 N LEU A 349 45.464 71.753 29.604 1.00 19.07 N ANISOU 860 N LEU A 349 2491 2069 2686 -380 292 400 N ATOM 861 CA LEU A 349 45.492 73.123 30.069 1.00 23.87 C ANISOU 861 CA LEU A 349 3115 2640 3315 -449 318 399 C ATOM 862 C LEU A 349 44.722 73.237 31.387 1.00 35.85 C ANISOU 862 C LEU A 349 4745 4080 4794 -525 337 350 C ATOM 863 O LEU A 349 44.987 74.145 32.165 1.00 35.98 O ANISOU 863 O LEU A 349 4797 4062 4812 -595 333 347 O ATOM 864 CB LEU A 349 44.946 74.076 29.011 1.00 26.27 C ANISOU 864 CB LEU A 349 3353 2956 3672 -419 385 409 C ATOM 865 CG LEU A 349 45.779 74.126 27.723 1.00 36.57 C ANISOU 865 CG LEU A 349 4542 4339 5016 -352 367 461 C ATOM 866 CD1 LEU A 349 45.151 75.002 26.658 1.00 44.18 C ANISOU 866 CD1 LEU A 349 5443 5314 6031 -321 435 470 C ATOM 867 CD2 LEU A 349 47.184 74.575 27.993 1.00 35.11 C ANISOU 867 CD2 LEU A 349 4324 4181 4834 -385 305 503 C ATOM 0 H LEU A 349 45.040 71.620 28.868 1.00 19.07 H new ATOM 0 HA LEU A 349 46.413 73.382 30.230 1.00 23.87 H new ATOM 0 HB2 LEU A 349 44.040 73.812 28.788 1.00 26.27 H new ATOM 0 HB3 LEU A 349 44.897 74.968 29.388 1.00 26.27 H new ATOM 0 HG LEU A 349 45.801 73.218 27.383 1.00 36.57 H new ATOM 0 HD11 LEU A 349 45.712 75.002 25.867 1.00 44.18 H new ATOM 0 HD12 LEU A 349 44.273 74.658 26.432 1.00 44.18 H new ATOM 0 HD13 LEU A 349 45.066 75.908 26.993 1.00 44.18 H new ATOM 0 HD21 LEU A 349 47.683 74.596 27.161 1.00 35.11 H new ATOM 0 HD22 LEU A 349 47.171 75.463 28.384 1.00 35.11 H new ATOM 0 HD23 LEU A 349 47.609 73.957 28.609 1.00 35.11 H new ATOM 879 N SER A 350 43.803 72.307 31.660 1.00 39.57 N ANISOU 879 N SER A 350 5274 4528 5232 -511 354 313 N ATOM 880 CA SER A 350 43.111 72.287 32.953 1.00 39.04 C ANISOU 880 CA SER A 350 5296 4417 5122 -559 347 261 C ATOM 881 C SER A 350 44.104 71.930 34.059 1.00 40.20 C ANISOU 881 C SER A 350 5497 4546 5231 -619 282 270 C ATOM 882 O SER A 350 44.058 72.493 35.152 1.00 42.33 O ANISOU 882 O SER A 350 5804 4797 5483 -658 265 241 O ATOM 883 CB SER A 350 41.946 71.292 32.966 1.00 31.71 C ANISOU 883 CB SER A 350 4405 3481 4162 -521 370 219 C ATOM 884 OG SER A 350 42.278 70.104 33.675 1.00 33.04 O ANISOU 884 OG SER A 350 4637 3632 4284 -543 325 217 O ATOM 0 H SER A 350 43.567 71.684 31.116 1.00 39.57 H new ATOM 0 HA SER A 350 42.744 73.172 33.105 1.00 39.04 H new ATOM 0 HB2 SER A 350 41.170 71.707 33.374 1.00 31.71 H new ATOM 0 HB3 SER A 350 41.701 71.068 32.055 1.00 31.71 H new ATOM 0 HG SER A 350 42.757 69.613 33.190 1.00 33.04 H new ATOM 890 N GLY A 351 44.988 70.983 33.762 1.00 37.98 N ANISOU 890 N GLY A 351 5196 4299 4937 -592 226 304 N ATOM 891 CA GLY A 351 46.041 70.577 34.674 1.00 36.06 C ANISOU 891 CA GLY A 351 4987 4055 4659 -633 148 317 C ATOM 892 C GLY A 351 45.557 69.692 35.818 1.00 37.14 C ANISOU 892 C GLY A 351 5227 4148 4738 -673 128 280 C ATOM 893 O GLY A 351 46.296 69.443 36.777 1.00 44.41 O ANISOU 893 O GLY A 351 6194 5056 5625 -721 68 284 O ATOM 0 H GLY A 351 44.990 70.555 33.016 1.00 37.98 H new ATOM 0 HA2 GLY A 351 46.724 70.102 34.175 1.00 36.06 H new ATOM 0 HA3 GLY A 351 46.460 71.370 35.044 1.00 36.06 H new ATOM 897 N GLU A 352 44.321 69.199 35.726 1.00 25.31 N ANISOU 897 N GLU A 352 3763 2628 3226 -652 176 243 N ATOM 898 CA GLU A 352 43.761 68.465 36.846 1.00 19.88 C ANISOU 898 CA GLU A 352 3147 1921 2485 -668 157 198 C ATOM 899 C GLU A 352 43.247 67.055 36.518 1.00 17.42 C ANISOU 899 C GLU A 352 2865 1606 2146 -631 149 192 C ATOM 900 O GLU A 352 42.533 66.471 37.313 1.00 20.59 O ANISOU 900 O GLU A 352 3318 1999 2507 -636 147 151 O ATOM 901 CB GLU A 352 42.646 69.256 37.438 1.00 19.17 C ANISOU 901 CB GLU A 352 3066 1826 2391 -670 206 145 C ATOM 902 CG GLU A 352 43.044 70.659 37.903 1.00 28.08 C ANISOU 902 CG GLU A 352 4175 2951 3541 -704 210 145 C ATOM 903 CD GLU A 352 41.925 71.683 37.703 1.00 39.27 C ANISOU 903 CD GLU A 352 5567 4372 4981 -683 270 113 C ATOM 904 OE1 GLU A 352 40.736 71.313 37.832 1.00 38.06 O ANISOU 904 OE1 GLU A 352 5438 4220 4804 -659 301 74 O ATOM 905 OE2 GLU A 352 42.242 72.860 37.410 1.00 47.50 O ANISOU 905 OE2 GLU A 352 6567 5416 6064 -689 283 128 O ATOM 0 H GLU A 352 43.807 69.278 35.041 1.00 25.31 H new ATOM 0 HA GLU A 352 44.496 68.340 37.466 1.00 19.88 H new ATOM 0 HB2 GLU A 352 41.935 69.334 36.782 1.00 19.17 H new ATOM 0 HB3 GLU A 352 42.283 68.768 38.193 1.00 19.17 H new ATOM 0 HG2 GLU A 352 43.286 70.629 38.842 1.00 28.08 H new ATOM 0 HG3 GLU A 352 43.832 70.946 37.416 1.00 28.08 H new ATOM 912 N LEU A 353 43.584 66.542 35.337 1.00 21.24 N ANISOU 912 N LEU A 353 3281 2132 2657 -559 140 224 N ATOM 913 CA LEU A 353 43.264 65.162 34.965 1.00 19.92 C ANISOU 913 CA LEU A 353 3117 1983 2469 -500 118 219 C ATOM 914 C LEU A 353 44.566 64.426 34.701 1.00 20.09 C ANISOU 914 C LEU A 353 3092 2054 2487 -459 33 257 C ATOM 915 O LEU A 353 45.543 65.048 34.297 1.00 20.47 O ANISOU 915 O LEU A 353 3074 2139 2566 -450 12 291 O ATOM 916 CB LEU A 353 42.384 65.104 33.723 1.00 18.22 C ANISOU 916 CB LEU A 353 2844 1790 2288 -426 181 214 C ATOM 917 CG LEU A 353 40.968 65.626 33.872 1.00 21.20 C ANISOU 917 CG LEU A 353 3267 2122 2667 -452 265 173 C ATOM 918 CD1 LEU A 353 40.352 65.752 32.519 1.00 19.23 C ANISOU 918 CD1 LEU A 353 2943 1904 2462 -376 323 178 C ATOM 919 CD2 LEU A 353 40.145 64.702 34.729 1.00 22.49 C ANISOU 919 CD2 LEU A 353 3513 2255 2778 -473 258 133 C ATOM 0 H LEU A 353 44.004 66.982 34.729 1.00 21.24 H new ATOM 0 HA LEU A 353 42.772 64.748 35.691 1.00 19.92 H new ATOM 0 HB2 LEU A 353 42.820 65.607 33.018 1.00 18.22 H new ATOM 0 HB3 LEU A 353 42.338 64.182 33.426 1.00 18.22 H new ATOM 0 HG LEU A 353 40.994 66.494 34.305 1.00 21.20 H new ATOM 0 HD11 LEU A 353 39.445 66.086 32.606 1.00 19.23 H new ATOM 0 HD12 LEU A 353 40.873 66.369 31.982 1.00 19.23 H new ATOM 0 HD13 LEU A 353 40.336 64.883 32.088 1.00 19.23 H new ATOM 0 HD21 LEU A 353 39.245 65.053 34.812 1.00 22.49 H new ATOM 0 HD22 LEU A 353 40.113 63.823 34.319 1.00 22.49 H new ATOM 0 HD23 LEU A 353 40.547 64.633 35.609 1.00 22.49 H new ATOM 931 N AARG A 354 44.568 63.112 34.907 0.43 13.50 N ANISOU 931 N AARG A 354 2290 1222 1617 -435 -16 251 N ATOM 932 N BARG A 354 44.569 63.111 34.909 0.57 13.30 N ANISOU 932 N BARG A 354 2265 1197 1592 -435 -16 251 N ATOM 933 CA AARG A 354 45.748 62.306 34.628 0.43 16.76 C ANISOU 933 CA AARG A 354 2660 1682 2026 -390 -98 283 C ATOM 934 CA BARG A 354 45.748 62.306 34.626 0.57 16.79 C ANISOU 934 CA BARG A 354 2663 1686 2030 -390 -98 283 C ATOM 935 C AARG A 354 45.373 60.941 34.074 0.43 11.69 C ANISOU 935 C AARG A 354 2011 1059 1371 -318 -119 276 C ATOM 936 C BARG A 354 45.375 60.938 34.079 0.57 11.69 C ANISOU 936 C BARG A 354 2012 1059 1371 -318 -120 276 C ATOM 937 O AARG A 354 44.255 60.443 34.280 0.43 11.45 O ANISOU 937 O AARG A 354 2036 994 1319 -321 -85 244 O ATOM 938 O BARG A 354 44.260 60.429 34.300 0.57 11.45 O ANISOU 938 O BARG A 354 2039 994 1319 -322 -86 244 O ATOM 939 CB AARG A 354 46.590 62.140 35.894 0.43 26.37 C ANISOU 939 CB AARG A 354 3941 2876 3203 -459 -168 286 C ATOM 940 CB BARG A 354 46.598 62.147 35.887 0.57 26.33 C ANISOU 940 CB BARG A 354 3934 2871 3198 -459 -168 287 C ATOM 941 CG AARG A 354 45.968 61.270 36.954 0.43 34.94 C ANISOU 941 CG AARG A 354 5131 3911 4234 -503 -187 254 C ATOM 942 CG BARG A 354 45.991 61.266 36.929 0.57 34.90 C ANISOU 942 CG BARG A 354 5124 3908 4230 -501 -188 255 C ATOM 943 CD AARG A 354 46.906 61.109 38.142 0.43 42.29 C ANISOU 943 CD AARG A 354 6116 4824 5127 -568 -261 262 C ATOM 944 CD BARG A 354 46.899 61.151 38.157 0.57 42.34 C ANISOU 944 CD BARG A 354 6124 4830 5134 -570 -259 261 C ATOM 945 NE AARG A 354 47.084 62.358 38.880 0.43 43.66 N ANISOU 945 NE AARG A 354 6316 4969 5305 -647 -237 258 N ATOM 946 NE BARG A 354 46.918 62.354 38.983 0.57 43.64 N ANISOU 946 NE BARG A 354 6326 4959 5298 -654 -230 253 N ATOM 947 CZ AARG A 354 48.249 62.964 39.099 0.43 39.78 C ANISOU 947 CZ AARG A 354 5795 4494 4823 -673 -277 286 C ATOM 948 CZ BARG A 354 45.868 62.821 39.653 0.57 40.40 C ANISOU 948 CZ BARG A 354 5985 4496 4871 -713 -172 216 C ATOM 949 NH1AARG A 354 49.391 62.454 38.642 0.43 33.33 N ANISOU 949 NH1AARG A 354 4920 3728 4015 -625 -345 321 N ATOM 950 NH1BARG A 354 45.996 63.926 40.385 0.57 45.00 N ANISOU 950 NH1BARG A 354 6581 5065 5454 -771 -151 205 N ATOM 951 NH2AARG A 354 48.262 64.098 39.792 0.43 34.66 N ANISOU 951 NH2AARG A 354 5177 3814 4178 -747 -250 279 N ATOM 952 NH2BARG A 354 44.689 62.208 39.571 0.57 24.88 N ANISOU 952 NH2BARG A 354 4057 2509 2888 -697 -134 186 N ATOM 0 H AARG A 354 43.895 62.669 35.208 0.43 13.30 H new ATOM 0 H BARG A 354 43.897 62.668 35.213 0.57 13.30 H new ATOM 0 HA AARG A 354 46.269 62.771 33.955 0.43 16.79 H new ATOM 0 HA BARG A 354 46.262 62.770 33.947 0.57 16.79 H new ATOM 0 HB2AARG A 354 47.450 61.765 35.649 0.43 26.33 H new ATOM 0 HB2BARG A 354 47.464 61.787 35.638 0.57 26.33 H new ATOM 0 HB3AARG A 354 46.760 63.017 36.272 0.43 26.33 H new ATOM 0 HB3BARG A 354 46.755 63.024 36.271 0.57 26.33 H new ATOM 0 HG2AARG A 354 45.131 61.661 37.249 0.43 34.90 H new ATOM 0 HG2BARG A 354 45.128 61.622 37.194 0.57 34.90 H new ATOM 0 HG3AARG A 354 45.759 60.399 36.582 0.43 34.90 H new ATOM 0 HG3BARG A 354 45.832 60.384 36.558 0.57 34.90 H new ATOM 0 HD2AARG A 354 46.555 60.430 38.739 0.43 42.34 H new ATOM 0 HD2BARG A 354 46.606 60.401 38.698 0.57 42.34 H new ATOM 0 HD3AARG A 354 47.769 60.794 37.830 0.43 42.34 H new ATOM 0 HD3BARG A 354 47.803 60.954 37.865 0.57 42.34 H new ATOM 0 HE AARG A 354 46.378 62.732 39.199 0.43 43.64 H new ATOM 0 HE BARG A 354 47.657 62.790 39.040 0.57 43.64 H new ATOM 0 HH11AARG A 354 49.385 61.719 38.196 0.43 45.00 H new ATOM 0 HH11BARG A 354 46.753 64.332 40.422 0.57 45.00 H new ATOM 0 HH12AARG A 354 50.134 62.860 38.793 0.43 45.00 H new ATOM 0 HH12BARG A 354 45.321 64.234 40.821 0.57 45.00 H new ATOM 0 HH21AARG A 354 47.526 64.428 40.090 0.43 24.88 H new ATOM 0 HH21BARG A 354 44.603 61.505 39.083 0.57 24.88 H new ATOM 0 HH22AARG A 354 49.006 64.502 39.942 0.43 24.88 H new ATOM 0 HH22BARG A 354 44.014 62.515 40.006 0.57 24.88 H new ATOM 979 N LYS A 355 46.311 60.326 33.365 1.00 11.70 N ANISOU 979 N LYS A 355 1527 1471 1449 234 -159 144 N ATOM 980 CA LYS A 355 46.142 58.915 32.978 1.00 11.01 C ANISOU 980 CA LYS A 355 1463 1372 1349 201 -158 144 C ATOM 981 C LYS A 355 45.843 58.092 34.217 1.00 10.57 C ANISOU 981 C LYS A 355 1433 1306 1278 202 -155 151 C ATOM 982 O LYS A 355 46.490 58.247 35.261 1.00 11.86 O ANISOU 982 O LYS A 355 1608 1452 1444 233 -159 145 O ATOM 983 CB LYS A 355 47.408 58.381 32.292 1.00 13.95 C ANISOU 983 CB LYS A 355 1855 1713 1734 204 -164 124 C ATOM 984 CG LYS A 355 47.293 56.928 31.875 1.00 21.74 C ANISOU 984 CG LYS A 355 2870 2683 2709 171 -158 123 C ATOM 985 CD LYS A 355 48.452 56.410 30.980 1.00 28.22 C ANISOU 985 CD LYS A 355 3707 3474 3542 169 -161 105 C ATOM 986 CE LYS A 355 49.663 56.050 31.816 1.00 37.98 C ANISOU 986 CE LYS A 355 4968 4676 4785 204 -167 94 C ATOM 987 NZ LYS A 355 50.632 55.161 31.085 1.00 42.27 N ANISOU 987 NZ LYS A 355 5537 5188 5336 198 -166 80 N ATOM 0 H ALYS A 355 47.042 60.692 33.098 0.43 11.70 H new ATOM 0 H BLYS A 355 47.040 60.694 33.095 0.57 11.70 H new ATOM 0 HA LYS A 355 45.406 58.848 32.350 1.00 11.01 H new ATOM 0 HB2 LYS A 355 47.598 58.922 31.510 1.00 13.95 H new ATOM 0 HB3 LYS A 355 48.162 58.480 32.895 1.00 13.95 H new ATOM 0 HG2 LYS A 355 47.248 56.379 32.673 1.00 21.74 H new ATOM 0 HG3 LYS A 355 46.456 56.807 31.400 1.00 21.74 H new ATOM 0 HD2 LYS A 355 48.157 55.633 30.480 1.00 28.22 H new ATOM 0 HD3 LYS A 355 48.693 57.090 30.331 1.00 28.22 H new ATOM 0 HE2 LYS A 355 50.117 56.863 32.087 1.00 37.98 H new ATOM 0 HE3 LYS A 355 49.371 55.605 32.627 1.00 37.98 H new ATOM 0 HZ1 LYS A 355 51.271 54.895 31.644 1.00 42.27 H new ATOM 0 HZ2 LYS A 355 50.201 54.450 30.767 1.00 42.27 H new ATOM 0 HZ3 LYS A 355 50.998 55.612 30.410 1.00 42.27 H new ATOM 1001 N GLY A 356 44.844 57.233 34.114 1.00 10.28 N ANISOU 1001 N GLY A 356 1404 1280 1223 167 -145 162 N ATOM 1002 CA GLY A 356 44.425 56.419 35.229 1.00 11.33 C ANISOU 1002 CA GLY A 356 1562 1403 1341 163 -138 170 C ATOM 1003 C GLY A 356 43.221 56.937 35.988 1.00 11.00 C ANISOU 1003 C GLY A 356 1502 1392 1287 161 -132 187 C ATOM 1004 O GLY A 356 42.682 56.231 36.833 1.00 12.64 O ANISOU 1004 O GLY A 356 1729 1595 1480 152 -123 195 O ATOM 0 H GLY A 356 44.391 57.108 33.394 1.00 10.28 H new ATOM 0 HA2 GLY A 356 44.225 55.527 34.903 1.00 11.33 H new ATOM 0 HA3 GLY A 356 45.168 56.335 35.847 1.00 11.33 H new ATOM 1008 N ASP A 357 42.790 58.162 35.692 1.00 10.88 N ANISOU 1008 N ASP A 357 1449 1407 1279 171 -134 194 N ATOM 1009 CA ASP A 357 41.542 58.659 36.253 1.00 9.13 C ANISOU 1009 CA ASP A 357 1205 1219 1046 166 -125 213 C ATOM 1010 C ASP A 357 40.371 57.915 35.631 1.00 12.50 C ANISOU 1010 C ASP A 357 1624 1673 1454 120 -116 223 C ATOM 1011 O ASP A 357 40.337 57.685 34.419 1.00 13.80 O ANISOU 1011 O ASP A 357 1779 1849 1617 96 -117 219 O ATOM 1012 CB ASP A 357 41.363 60.163 36.002 1.00 10.52 C ANISOU 1012 CB ASP A 357 1344 1420 1234 190 -125 219 C ATOM 1013 CG ASP A 357 42.132 61.041 36.956 1.00 12.55 C ANISOU 1013 CG ASP A 357 1605 1660 1505 231 -128 211 C ATOM 1014 OD1 ASP A 357 42.443 60.618 38.075 1.00 11.37 O ANISOU 1014 OD1 ASP A 357 1480 1490 1350 243 -130 207 O ATOM 1015 OD2 ASP A 357 42.449 62.204 36.569 1.00 12.20 O ANISOU 1015 OD2 ASP A 357 1539 1622 1476 253 -127 209 O ATOM 0 H ASP A 357 43.201 58.713 35.175 1.00 10.88 H new ATOM 0 HA ASP A 357 41.571 58.510 37.211 1.00 9.13 H new ATOM 0 HB2 ASP A 357 41.642 60.365 35.095 1.00 10.52 H new ATOM 0 HB3 ASP A 357 40.420 60.382 36.065 1.00 10.52 H new ATOM 1020 N GLN A 358 39.403 57.529 36.454 1.00 10.68 N ANISOU 1020 N GLN A 358 1397 1456 1206 106 -106 234 N ATOM 1021 CA GLN A 358 38.110 57.099 35.970 1.00 9.57 C ANISOU 1021 CA GLN A 358 1238 1353 1045 64 -96 245 C ATOM 1022 C GLN A 358 37.191 58.290 35.843 1.00 10.72 C ANISOU 1022 C GLN A 358 1338 1547 1190 74 -95 263 C ATOM 1023 O GLN A 358 37.122 59.125 36.734 1.00 9.50 O ANISOU 1023 O GLN A 358 1175 1392 1041 107 -94 271 O ATOM 1024 CB GLN A 358 37.498 56.080 36.921 1.00 10.71 C ANISOU 1024 CB GLN A 358 1410 1487 1171 42 -83 248 C ATOM 1025 CG GLN A 358 36.235 55.459 36.359 1.00 14.07 C ANISOU 1025 CG GLN A 358 1821 1952 1574 -10 -71 253 C ATOM 1026 CD GLN A 358 35.520 54.499 37.322 1.00 15.19 C ANISOU 1026 CD GLN A 358 1989 2086 1697 -35 -54 256 C ATOM 1027 OE1 GLN A 358 36.012 54.190 38.411 1.00 18.14 O ANISOU 1027 OE1 GLN A 358 2397 2421 2073 -12 -52 254 O ATOM 1028 NE2 GLN A 358 34.351 54.025 36.914 1.00 18.70 N ANISOU 1028 NE2 GLN A 358 2416 2568 2120 -82 -41 259 N ATOM 0 H GLN A 358 39.483 57.511 37.310 1.00 10.68 H new ATOM 0 HA GLN A 358 38.226 56.685 35.101 1.00 9.57 H new ATOM 0 HB2 GLN A 358 38.146 55.382 37.105 1.00 10.71 H new ATOM 0 HB3 GLN A 358 37.296 56.510 37.767 1.00 10.71 H new ATOM 0 HG2 GLN A 358 35.621 56.168 36.111 1.00 14.07 H new ATOM 0 HG3 GLN A 358 36.457 54.979 35.546 1.00 14.07 H new ATOM 0 HE21 GLN A 358 34.035 54.260 36.149 1.00 18.70 H new ATOM 0 HE22 GLN A 358 33.909 53.483 37.414 1.00 18.70 H new ATOM 1037 N AILE A 359 36.480 58.364 34.725 0.61 12.16 N ANISOU 1037 N AILE A 359 1488 1771 1362 47 -93 270 N ATOM 1038 N BILE A 359 36.482 58.381 34.728 0.39 12.13 N ANISOU 1038 N BILE A 359 1485 1767 1359 48 -93 270 N ATOM 1039 CA AILE A 359 35.498 59.408 34.523 0.61 13.49 C ANISOU 1039 CA AILE A 359 1610 1990 1525 57 -90 291 C ATOM 1040 CA BILE A 359 35.510 59.442 34.559 0.39 13.36 C ANISOU 1040 CA BILE A 359 1594 1973 1510 58 -90 291 C ATOM 1041 C AILE A 359 34.214 58.930 35.160 0.61 15.11 C ANISOU 1041 C AILE A 359 1807 2226 1708 30 -78 303 C ATOM 1042 C BILE A 359 34.209 58.955 35.150 0.39 14.75 C ANISOU 1042 C BILE A 359 1761 2181 1663 30 -78 303 C ATOM 1043 O AILE A 359 33.592 58.005 34.651 0.61 15.93 O ANISOU 1043 O AILE A 359 1909 2351 1792 -17 -73 299 O ATOM 1044 O BILE A 359 33.574 58.058 34.603 0.39 15.73 O ANISOU 1044 O BILE A 359 1882 2328 1766 -16 -74 300 O ATOM 1045 CB AILE A 359 35.283 59.720 33.027 0.61 13.39 C ANISOU 1045 CB AILE A 359 1563 2015 1508 42 -94 295 C ATOM 1046 CB BILE A 359 35.348 59.835 33.091 0.39 13.69 C ANISOU 1046 CB BILE A 359 1602 2051 1549 47 -94 296 C ATOM 1047 CG1AILE A 359 36.611 60.052 32.336 0.61 14.16 C ANISOU 1047 CG1AILE A 359 1674 2079 1628 64 -104 281 C ATOM 1048 CG1BILE A 359 36.651 60.437 32.574 0.39 13.62 C ANISOU 1048 CG1BILE A 359 1601 2008 1564 79 -103 284 C ATOM 1049 CG2AILE A 359 34.249 60.864 32.858 0.61 15.23 C ANISOU 1049 CG2AILE A 359 1747 2304 1735 60 -88 322 C ATOM 1050 CG2BILE A 359 34.184 60.832 32.917 0.39 15.02 C ANISOU 1050 CG2BILE A 359 1721 2279 1708 59 -88 323 C ATOM 1051 CD1AILE A 359 37.325 61.244 32.893 0.61 13.65 C ANISOU 1051 CD1AILE A 359 1608 1990 1587 116 -105 282 C ATOM 1052 CD1BILE A 359 36.672 60.608 31.098 0.39 12.52 C ANISOU 1052 CD1BILE A 359 1438 1896 1422 64 -108 285 C ATOM 0 H AILE A 359 36.555 57.813 34.069 0.61 12.13 H new ATOM 0 H BILE A 359 36.549 57.841 34.062 0.39 12.13 H new ATOM 0 HA AILE A 359 35.805 60.235 34.927 0.61 13.36 H new ATOM 0 HA BILE A 359 35.809 60.245 35.014 0.39 13.36 H new ATOM 0 HB AILE A 359 34.926 58.928 32.595 0.61 13.69 H new ATOM 0 HB BILE A 359 35.140 59.040 32.575 0.39 13.69 H new ATOM 0 HG12AILE A 359 37.196 59.281 32.399 0.61 13.62 H new ATOM 0 HG12BILE A 359 36.792 61.299 32.996 0.39 13.62 H new ATOM 0 HG13AILE A 359 36.442 60.203 31.393 0.61 13.62 H new ATOM 0 HG13BILE A 359 37.391 59.868 32.838 0.39 13.62 H new ATOM 0 HG21AILE A 359 34.123 61.050 31.914 0.61 15.02 H new ATOM 0 HG21BILE A 359 34.098 61.069 31.980 0.39 15.02 H new ATOM 0 HG22AILE A 359 33.403 60.596 33.250 0.61 15.02 H new ATOM 0 HG22BILE A 359 33.359 60.424 33.224 0.39 15.02 H new ATOM 0 HG23AILE A 359 34.573 61.662 33.304 0.61 15.02 H new ATOM 0 HG23BILE A 359 34.362 61.631 33.437 0.39 15.02 H new ATOM 0 HD11AILE A 359 38.150 61.385 32.404 0.61 12.52 H new ATOM 0 HD11BILE A 359 37.521 60.993 30.829 0.39 12.52 H new ATOM 0 HD12AILE A 359 36.761 62.028 32.807 0.61 12.52 H new ATOM 0 HD12BILE A 359 36.559 59.745 30.670 0.39 12.52 H new ATOM 0 HD13AILE A 359 37.527 61.092 33.830 0.61 12.52 H new ATOM 0 HD13BILE A 359 35.950 61.198 30.830 0.39 12.52 H new ATOM 1075 N LEU A 360 33.802 59.558 36.262 1.00 11.24 N ANISOU 1075 N LEU A 360 1312 1739 1221 57 -72 315 N ATOM 1076 CA LEU A 360 32.599 59.102 36.948 1.00 13.01 C ANISOU 1076 CA LEU A 360 1530 1990 1425 32 -60 325 C ATOM 1077 C LEU A 360 31.360 59.717 36.315 1.00 14.08 C ANISOU 1077 C LEU A 360 1611 2193 1545 22 -55 346 C ATOM 1078 O LEU A 360 30.323 59.080 36.249 1.00 16.08 O ANISOU 1078 O LEU A 360 1851 2483 1775 -17 -47 350 O ATOM 1079 CB LEU A 360 32.593 59.451 38.433 1.00 13.76 C ANISOU 1079 CB LEU A 360 1641 2061 1525 62 -55 330 C ATOM 1080 CG LEU A 360 33.806 58.995 39.234 1.00 12.69 C ANISOU 1080 CG LEU A 360 1556 1865 1402 80 -60 313 C ATOM 1081 CD1 LEU A 360 33.675 59.272 40.731 1.00 15.58 C ANISOU 1081 CD1 LEU A 360 1936 2215 1768 105 -54 318 C ATOM 1082 CD2 LEU A 360 34.070 57.489 39.001 1.00 15.20 C ANISOU 1082 CD2 LEU A 360 1910 2157 1707 41 -58 298 C ATOM 0 H ALEU A 360 34.196 60.234 36.620 0.61 11.24 H new ATOM 0 H BLEU A 360 34.202 60.224 36.632 0.39 11.24 H new ATOM 0 HA LEU A 360 32.592 58.136 36.859 1.00 13.01 H new ATOM 0 HB2 LEU A 360 32.514 60.414 38.520 1.00 13.76 H new ATOM 0 HB3 LEU A 360 31.799 59.064 38.834 1.00 13.76 H new ATOM 0 HG LEU A 360 34.558 59.517 38.913 1.00 12.69 H new ATOM 0 HD11 LEU A 360 34.472 58.962 41.189 1.00 15.58 H new ATOM 0 HD12 LEU A 360 33.569 60.225 40.876 1.00 15.58 H new ATOM 0 HD13 LEU A 360 32.900 58.804 41.080 1.00 15.58 H new ATOM 0 HD21 LEU A 360 34.844 57.212 39.516 1.00 15.20 H new ATOM 0 HD22 LEU A 360 33.295 56.977 39.282 1.00 15.20 H new ATOM 0 HD23 LEU A 360 34.237 57.331 38.058 1.00 15.20 H new ATOM 1094 N SER A 361 31.470 60.955 35.877 1.00 11.41 N ANISOU 1094 N SER A 361 1243 1873 1220 59 -58 360 N ATOM 1095 CA SER A 361 30.343 61.637 35.230 1.00 11.77 C ANISOU 1095 CA SER A 361 1235 1986 1251 59 -52 384 C ATOM 1096 C SER A 361 30.788 62.794 34.372 1.00 14.28 C ANISOU 1096 C SER A 361 1529 2314 1585 95 -56 395 C ATOM 1097 O SER A 361 31.856 63.362 34.589 1.00 13.15 O ANISOU 1097 O SER A 361 1407 2123 1465 130 -59 386 O ATOM 1098 CB SER A 361 29.340 62.145 36.263 1.00 15.76 C ANISOU 1098 CB SER A 361 1723 2515 1751 74 -39 404 C ATOM 1099 OG SER A 361 29.905 63.134 37.128 1.00 12.84 O ANISOU 1099 OG SER A 361 1365 2109 1404 124 -34 408 O ATOM 0 H SER A 361 32.186 61.428 35.940 1.00 11.41 H new ATOM 0 HA SER A 361 29.920 60.976 34.660 1.00 11.77 H new ATOM 0 HB2 SER A 361 28.570 62.519 35.806 1.00 15.76 H new ATOM 0 HB3 SER A 361 29.020 61.399 36.794 1.00 15.76 H new ATOM 0 HG SER A 361 29.830 63.892 36.774 1.00 12.84 H new ATOM 1105 N VAL A 362 29.942 63.140 33.402 1.00 13.60 N ANISOU 1105 N VAL A 362 1397 2290 1482 88 -54 414 N ATOM 1106 CA VAL A 362 30.133 64.358 32.590 1.00 16.04 C ANISOU 1106 CA VAL A 362 1677 2617 1802 127 -53 431 C ATOM 1107 C VAL A 362 28.821 65.131 32.603 1.00 17.57 C ANISOU 1107 C VAL A 362 1821 2876 1979 144 -40 465 C ATOM 1108 O VAL A 362 27.746 64.591 32.257 1.00 18.89 O ANISOU 1108 O VAL A 362 1956 3102 2117 110 -40 474 O ATOM 1109 CB VAL A 362 30.597 64.067 31.136 1.00 18.53 C ANISOU 1109 CB VAL A 362 1984 2944 2111 107 -65 423 C ATOM 1110 CG1 VAL A 362 29.620 63.250 30.390 1.00 22.37 C ANISOU 1110 CG1 VAL A 362 2442 3493 2565 57 -68 426 C ATOM 1111 CG2 VAL A 362 30.806 65.368 30.364 1.00 18.88 C ANISOU 1111 CG2 VAL A 362 2002 3004 2166 152 -60 443 C ATOM 0 H VAL A 362 29.244 62.683 33.192 1.00 13.60 H new ATOM 0 HA VAL A 362 30.850 64.881 32.981 1.00 16.04 H new ATOM 0 HB VAL A 362 31.430 63.576 31.212 1.00 18.53 H new ATOM 0 HG11 VAL A 362 29.949 63.093 29.491 1.00 22.37 H new ATOM 0 HG12 VAL A 362 29.496 62.400 30.842 1.00 22.37 H new ATOM 0 HG13 VAL A 362 28.772 63.719 30.347 1.00 22.37 H new ATOM 0 HG21 VAL A 362 31.095 65.166 29.460 1.00 18.88 H new ATOM 0 HG22 VAL A 362 29.973 65.864 30.333 1.00 18.88 H new ATOM 0 HG23 VAL A 362 31.483 65.902 30.807 1.00 18.88 H new ATOM 1121 N ASN A 363 28.915 66.399 33.000 1.00 17.30 N ANISOU 1121 N ASN A 363 1780 2831 1963 197 -26 483 N ATOM 1122 CA ASN A 363 27.739 67.285 33.116 1.00 15.47 C ANISOU 1122 CA ASN A 363 1504 2655 1720 225 -9 519 C ATOM 1123 C ASN A 363 26.556 66.571 33.794 1.00 19.68 C ANISOU 1123 C ASN A 363 2022 3227 2230 192 -7 524 C ATOM 1124 O ASN A 363 25.426 66.688 33.348 1.00 20.00 O ANISOU 1124 O ASN A 363 2015 3337 2246 185 -2 548 O ATOM 1125 CB ASN A 363 27.341 67.820 31.741 1.00 18.08 C ANISOU 1125 CB ASN A 363 1790 3043 2037 236 -10 542 C ATOM 1126 CG ASN A 363 28.380 68.733 31.151 1.00 19.25 C ANISOU 1126 CG ASN A 363 1950 3154 2209 275 -6 542 C ATOM 1127 OD1 ASN A 363 29.349 69.099 31.810 1.00 18.88 O ANISOU 1127 OD1 ASN A 363 1941 3042 2189 298 -1 526 O ATOM 1128 ND2 ASN A 363 28.189 69.114 29.896 1.00 23.24 N ANISOU 1128 ND2 ASN A 363 2424 3705 2703 284 -7 560 N ATOM 0 H ASN A 363 29.659 66.776 33.211 1.00 17.30 H new ATOM 0 HA ASN A 363 27.984 68.035 33.681 1.00 15.47 H new ATOM 0 HB2 ASN A 363 27.191 67.074 31.139 1.00 18.08 H new ATOM 0 HB3 ASN A 363 26.500 68.298 31.815 1.00 18.08 H new ATOM 0 HD21 ASN A 363 28.755 69.637 29.514 1.00 23.24 H new ATOM 0 HD22 ASN A 363 27.499 68.838 29.463 1.00 23.24 H new ATOM 1135 N GLY A 364 26.839 65.850 34.878 1.00 19.35 N ANISOU 1135 N GLY A 364 2018 3139 2193 173 -8 502 N ATOM 1136 CA GLY A 364 25.823 65.193 35.703 1.00 23.06 C ANISOU 1136 CA GLY A 364 2484 3635 2645 144 -2 504 C ATOM 1137 C GLY A 364 25.364 63.832 35.191 1.00 25.14 C ANISOU 1137 C GLY A 364 2743 3928 2882 79 -12 489 C ATOM 1138 O GLY A 364 24.625 63.110 35.855 1.00 26.85 O ANISOU 1138 O GLY A 364 2962 4158 3082 47 -7 484 O ATOM 0 H GLY A 364 27.642 65.726 35.160 1.00 19.35 H new ATOM 0 HA2 GLY A 364 26.174 65.085 36.601 1.00 23.06 H new ATOM 0 HA3 GLY A 364 25.051 65.777 35.769 1.00 23.06 H new ATOM 1142 N VAL A 365 25.809 63.481 33.995 1.00 20.83 N ANISOU 1142 N VAL A 365 2192 3391 2330 59 -25 479 N ATOM 1143 CA VAL A 365 25.517 62.171 33.420 1.00 23.01 C ANISOU 1143 CA VAL A 365 2470 3690 2581 -5 -32 459 C ATOM 1144 C VAL A 365 26.489 61.102 33.964 1.00 19.19 C ANISOU 1144 C VAL A 365 2049 3132 2110 -30 -36 426 C ATOM 1145 O VAL A 365 27.693 61.152 33.692 1.00 15.93 O ANISOU 1145 O VAL A 365 1667 2668 1718 -14 -45 412 O ATOM 1146 CB VAL A 365 25.584 62.250 31.905 1.00 30.35 C ANISOU 1146 CB VAL A 365 3370 4662 3499 -17 -42 462 C ATOM 1147 CG1 VAL A 365 25.278 60.909 31.291 1.00 35.50 C ANISOU 1147 CG1 VAL A 365 4024 5339 4125 -87 -47 439 C ATOM 1148 CG2 VAL A 365 24.607 63.305 31.390 1.00 35.00 C ANISOU 1148 CG2 VAL A 365 3896 5328 4074 13 -37 498 C ATOM 0 H VAL A 365 26.287 63.990 33.493 1.00 20.83 H new ATOM 0 HA VAL A 365 24.620 61.907 33.678 1.00 23.01 H new ATOM 0 HB VAL A 365 26.484 62.505 31.648 1.00 30.35 H new ATOM 0 HG11 VAL A 365 25.325 60.977 30.325 1.00 35.50 H new ATOM 0 HG12 VAL A 365 25.925 60.256 31.601 1.00 35.50 H new ATOM 0 HG13 VAL A 365 24.387 60.629 31.552 1.00 35.50 H new ATOM 0 HG21 VAL A 365 24.657 63.348 30.422 1.00 35.00 H new ATOM 0 HG22 VAL A 365 23.705 63.068 31.656 1.00 35.00 H new ATOM 0 HG23 VAL A 365 24.838 64.170 31.764 1.00 35.00 H new ATOM 1158 N ASP A 366 25.963 60.175 34.759 1.00 19.79 N ANISOU 1158 N ASP A 366 2143 3203 2172 -67 -28 416 N ATOM 1159 CA ASP A 366 26.730 59.071 35.324 1.00 20.61 C ANISOU 1159 CA ASP A 366 2306 3241 2282 -91 -28 388 C ATOM 1160 C ASP A 366 27.348 58.157 34.224 1.00 20.00 C ANISOU 1160 C ASP A 366 2247 3153 2199 -131 -35 365 C ATOM 1161 O ASP A 366 26.632 57.573 33.408 1.00 18.01 O ANISOU 1161 O ASP A 366 1970 2952 1922 -180 -32 361 O ATOM 1162 CB ASP A 366 25.792 58.305 36.244 1.00 20.76 C ANISOU 1162 CB ASP A 366 2333 3271 2282 -125 -13 385 C ATOM 1163 CG ASP A 366 26.445 57.147 36.954 1.00 20.11 C ANISOU 1163 CG ASP A 366 2313 3123 2204 -148 -8 361 C ATOM 1164 OD1 ASP A 366 27.673 57.002 36.909 1.00 17.23 O ANISOU 1164 OD1 ASP A 366 1987 2702 1859 -130 -16 348 O ATOM 1165 OD2 ASP A 366 25.701 56.384 37.609 1.00 23.04 O ANISOU 1165 OD2 ASP A 366 2695 3500 2557 -183 7 356 O ATOM 0 H ASP A 366 25.134 60.171 34.989 1.00 19.79 H new ATOM 0 HA ASP A 366 27.490 59.411 35.822 1.00 20.61 H new ATOM 0 HB2 ASP A 366 25.431 58.916 36.905 1.00 20.76 H new ATOM 0 HB3 ASP A 366 25.043 57.974 35.725 1.00 20.76 H new ATOM 1170 N LEU A 367 28.676 58.043 34.217 1.00 15.37 N ANISOU 1170 N LEU A 367 1702 2502 1636 -112 -43 350 N ATOM 1171 CA LEU A 367 29.372 57.209 33.257 1.00 14.80 C ANISOU 1171 CA LEU A 367 1651 2409 1562 -144 -48 328 C ATOM 1172 C LEU A 367 30.080 56.025 33.903 1.00 15.71 C ANISOU 1172 C LEU A 367 1828 2459 1682 -164 -42 305 C ATOM 1173 O LEU A 367 30.814 55.319 33.217 1.00 15.87 O ANISOU 1173 O LEU A 367 1873 2451 1704 -185 -44 287 O ATOM 1174 CB LEU A 367 30.401 58.031 32.461 1.00 14.31 C ANISOU 1174 CB LEU A 367 1584 2331 1522 -106 -63 330 C ATOM 1175 CG LEU A 367 29.900 59.196 31.603 1.00 15.45 C ANISOU 1175 CG LEU A 367 1673 2535 1663 -83 -68 353 C ATOM 1176 CD1 LEU A 367 31.069 59.879 30.898 1.00 15.67 C ANISOU 1176 CD1 LEU A 367 1707 2532 1714 -48 -79 349 C ATOM 1177 CD2 LEU A 367 28.859 58.729 30.588 1.00 19.04 C ANISOU 1177 CD2 LEU A 367 2087 3063 2085 -134 -66 355 C ATOM 0 H LEU A 367 29.193 58.449 34.771 1.00 15.37 H new ATOM 0 HA LEU A 367 28.689 56.862 32.662 1.00 14.80 H new ATOM 0 HB2 LEU A 367 31.047 58.386 33.092 1.00 14.31 H new ATOM 0 HB3 LEU A 367 30.879 57.420 31.879 1.00 14.31 H new ATOM 0 HG LEU A 367 29.473 59.839 32.191 1.00 15.45 H new ATOM 0 HD11 LEU A 367 30.737 60.614 30.359 1.00 15.67 H new ATOM 0 HD12 LEU A 367 31.692 60.219 31.559 1.00 15.67 H new ATOM 0 HD13 LEU A 367 31.522 59.239 30.327 1.00 15.67 H new ATOM 0 HD21 LEU A 367 28.560 59.485 30.060 1.00 19.04 H new ATOM 0 HD22 LEU A 367 29.253 58.062 30.004 1.00 19.04 H new ATOM 0 HD23 LEU A 367 28.102 58.342 31.055 1.00 19.04 H new ATOM 1189 N ARG A 368 29.865 55.783 35.205 1.00 16.65 N ANISOU 1189 N ARG A 368 1972 2553 1802 -156 -32 308 N ATOM 1190 CA ARG A 368 30.498 54.642 35.868 1.00 17.51 C ANISOU 1190 CA ARG A 368 2140 2599 1912 -170 -23 289 C ATOM 1191 C ARG A 368 30.235 53.352 35.134 1.00 18.16 C ANISOU 1191 C ARG A 368 2239 2687 1975 -234 -10 271 C ATOM 1192 O ARG A 368 31.105 52.512 35.115 1.00 19.43 O ANISOU 1192 O ARG A 368 2447 2794 2142 -242 -5 254 O ATOM 1193 CB ARG A 368 30.053 54.463 37.312 1.00 13.90 C ANISOU 1193 CB ARG A 368 1704 2127 1452 -162 -11 296 C ATOM 1194 CG ARG A 368 30.453 55.668 38.175 1.00 14.23 C ANISOU 1194 CG ARG A 368 1739 2154 1514 -99 -21 310 C ATOM 1195 CD ARG A 368 29.951 55.598 39.569 1.00 15.78 C ANISOU 1195 CD ARG A 368 1950 2339 1705 -90 -10 318 C ATOM 1196 NE ARG A 368 28.492 55.605 39.531 1.00 18.28 N ANISOU 1196 NE ARG A 368 2230 2716 2001 -122 2 329 N ATOM 1197 CZ ARG A 368 27.725 54.909 40.343 1.00 19.84 C ANISOU 1197 CZ ARG A 368 2442 2914 2181 -149 19 328 C ATOM 1198 NH1 ARG A 368 28.252 54.276 41.390 1.00 21.21 N ANISOU 1198 NH1 ARG A 368 2669 3033 2359 -141 26 321 N ATOM 1199 NH2 ARG A 368 26.438 54.921 40.131 1.00 22.91 N ANISOU 1199 NH2 ARG A 368 2792 3362 2549 -181 29 336 N ATOM 0 H ARG A 368 29.363 56.263 35.712 1.00 16.65 H new ATOM 0 HA ARG A 368 31.446 54.846 35.858 1.00 17.51 H new ATOM 0 HB2 ARG A 368 29.091 54.346 37.343 1.00 13.90 H new ATOM 0 HB3 ARG A 368 30.449 53.656 37.677 1.00 13.90 H new ATOM 0 HG2 ARG A 368 31.420 55.737 38.191 1.00 14.23 H new ATOM 0 HG3 ARG A 368 30.118 56.478 37.760 1.00 14.23 H new ATOM 0 HD2 ARG A 368 30.274 54.794 40.005 1.00 15.78 H new ATOM 0 HD3 ARG A 368 30.279 56.351 40.085 1.00 15.78 H new ATOM 0 HE ARG A 368 28.108 56.096 38.939 1.00 18.28 H new ATOM 0 HH11 ARG A 368 29.098 54.321 41.538 1.00 21.21 H new ATOM 0 HH12 ARG A 368 27.746 53.823 41.918 1.00 21.21 H new ATOM 0 HH21 ARG A 368 26.114 55.375 39.476 1.00 22.91 H new ATOM 0 HH22 ARG A 368 25.913 54.475 40.646 1.00 22.91 H new ATOM 1213 N ASN A 369 29.065 53.214 34.514 1.00 13.92 N ANISOU 1213 N ASN A 369 1662 2214 1412 -279 -3 273 N ATOM 1214 CA ASN A 369 28.706 51.957 33.844 1.00 18.38 C ANISOU 1214 CA ASN A 369 2241 2788 1954 -348 14 252 C ATOM 1215 C ASN A 369 28.439 52.127 32.362 1.00 17.28 C ANISOU 1215 C ASN A 369 2059 2704 1801 -378 6 248 C ATOM 1216 O ASN A 369 27.695 51.366 31.747 1.00 20.25 O ANISOU 1216 O ASN A 369 2424 3120 2150 -441 20 234 O ATOM 1217 CB ASN A 369 27.500 51.338 34.594 1.00 22.90 C ANISOU 1217 CB ASN A 369 2814 3386 2502 -389 36 251 C ATOM 1218 CG ASN A 369 27.865 50.989 36.052 1.00 23.61 C ANISOU 1218 CG ASN A 369 2955 3412 2603 -363 47 252 C ATOM 1219 OD1 ASN A 369 28.629 50.075 36.280 1.00 27.49 O ANISOU 1219 OD1 ASN A 369 3502 3842 3100 -370 58 238 O ATOM 1220 ND2 ASN A 369 27.371 51.763 37.020 1.00 24.69 N ANISOU 1220 ND2 ASN A 369 3074 3564 2744 -328 43 271 N ATOM 0 H ASN A 369 28.466 53.830 34.468 1.00 13.92 H new ATOM 0 HA ASN A 369 29.463 51.351 33.884 1.00 18.38 H new ATOM 0 HB2 ASN A 369 26.757 51.961 34.585 1.00 22.90 H new ATOM 0 HB3 ASN A 369 27.205 50.538 34.132 1.00 22.90 H new ATOM 0 HD21 ASN A 369 27.593 51.622 37.839 1.00 24.69 H new ATOM 0 HD22 ASN A 369 26.831 52.403 36.825 1.00 24.69 H new ATOM 1227 N ALA A 370 29.098 53.114 31.764 1.00 15.81 N ANISOU 1227 N ALA A 370 1852 2522 1634 -334 -15 258 N ATOM 1228 CA ALA A 370 28.978 53.379 30.360 1.00 18.27 C ANISOU 1228 CA ALA A 370 2124 2883 1935 -353 -24 257 C ATOM 1229 C ALA A 370 29.790 52.460 29.474 1.00 21.95 C ANISOU 1229 C ALA A 370 2625 3314 2401 -389 -21 232 C ATOM 1230 O ALA A 370 30.824 51.922 29.877 1.00 18.61 O ANISOU 1230 O ALA A 370 2256 2818 1998 -376 -16 219 O ATOM 1231 CB ALA A 370 29.420 54.834 30.033 1.00 15.83 C ANISOU 1231 CB ALA A 370 1782 2586 1646 -290 -45 279 C ATOM 0 H ALA A 370 29.631 53.648 32.177 1.00 15.81 H new ATOM 0 HA ALA A 370 28.039 53.230 30.170 1.00 18.27 H new ATOM 0 HB1 ALA A 370 29.332 54.993 29.080 1.00 15.83 H new ATOM 0 HB2 ALA A 370 28.859 55.459 30.518 1.00 15.83 H new ATOM 0 HB3 ALA A 370 30.345 54.958 30.296 1.00 15.83 H new ATOM 1237 N SER A 371 29.326 52.324 28.235 1.00 23.20 N ANISOU 1237 N SER A 371 2748 3529 2537 -431 -22 225 N ATOM 1238 CA SER A 371 30.139 51.749 27.201 1.00 26.21 C ANISOU 1238 CA SER A 371 3152 3885 2922 -456 -22 204 C ATOM 1239 C SER A 371 31.072 52.837 26.664 1.00 24.73 C ANISOU 1239 C SER A 371 2952 3685 2760 -399 -45 216 C ATOM 1240 O SER A 371 30.777 54.034 26.748 1.00 19.45 O ANISOU 1240 O SER A 371 2242 3052 2097 -354 -58 241 O ATOM 1241 CB SER A 371 29.251 51.182 26.097 1.00 32.73 C ANISOU 1241 CB SER A 371 3946 4781 3711 -528 -13 191 C ATOM 1242 OG SER A 371 28.448 52.206 25.544 1.00 33.97 O ANISOU 1242 OG SER A 371 4034 5022 3853 -514 -29 214 O ATOM 0 H SER A 371 28.539 52.563 27.983 1.00 23.20 H new ATOM 0 HA SER A 371 30.671 51.018 27.551 1.00 26.21 H new ATOM 0 HB2 SER A 371 29.800 50.782 25.404 1.00 32.73 H new ATOM 0 HB3 SER A 371 28.688 50.478 26.455 1.00 32.73 H new ATOM 0 HG SER A 371 28.182 51.973 24.782 1.00 33.97 H new ATOM 1248 N ALA A 372 32.206 52.412 26.132 1.00 26.10 N ANISOU 1248 N ALA A 372 3162 3806 2950 -400 -46 199 N ATOM 1249 CA ALA A 372 33.163 53.323 25.569 1.00 25.69 C ANISOU 1249 CA ALA A 372 3101 3737 2921 -352 -65 205 C ATOM 1250 C ALA A 372 32.519 54.179 24.501 1.00 21.88 C ANISOU 1250 C ALA A 372 2558 3332 2422 -353 -77 221 C ATOM 1251 O ALA A 372 32.751 55.388 24.496 1.00 18.90 O ANISOU 1251 O ALA A 372 2156 2963 2061 -298 -90 242 O ATOM 1252 CB ALA A 372 34.343 52.564 25.018 1.00 29.04 C ANISOU 1252 CB ALA A 372 3571 4101 3360 -365 -61 181 C ATOM 0 H ALA A 372 32.436 51.584 26.091 1.00 26.10 H new ATOM 0 HA ALA A 372 33.482 53.913 26.270 1.00 25.69 H new ATOM 0 HB1 ALA A 372 34.982 53.189 24.641 1.00 29.04 H new ATOM 0 HB2 ALA A 372 34.766 52.061 25.731 1.00 29.04 H new ATOM 0 HB3 ALA A 372 34.041 51.954 24.327 1.00 29.04 H new ATOM 1258 N GLU A 373 31.695 53.595 23.624 1.00 23.16 N ANISOU 1258 N GLU A 373 2695 3553 2551 -414 -70 212 N ATOM 1259 CA GLU A 373 31.125 54.376 22.529 1.00 28.12 C ANISOU 1259 CA GLU A 373 3264 4260 3160 -414 -82 228 C ATOM 1260 C GLU A 373 30.191 55.429 23.043 1.00 22.29 C ANISOU 1260 C GLU A 373 2477 3577 2415 -376 -88 261 C ATOM 1261 O GLU A 373 30.254 56.570 22.589 1.00 22.66 O ANISOU 1261 O GLU A 373 2490 3652 2469 -331 -100 284 O ATOM 1262 CB GLU A 373 30.363 53.530 21.489 1.00 43.39 C ANISOU 1262 CB GLU A 373 5175 6256 5054 -491 -74 211 C ATOM 1263 CG GLU A 373 29.375 54.424 20.675 1.00 60.70 C ANISOU 1263 CG GLU A 373 7294 8551 7219 -486 -86 236 C ATOM 1264 CD GLU A 373 28.865 53.822 19.364 1.00 78.94 C ANISOU 1264 CD GLU A 373 9576 10928 9490 -554 -84 220 C ATOM 1265 OE1 GLU A 373 29.279 54.311 18.287 1.00 80.08 O ANISOU 1265 OE1 GLU A 373 9701 11092 9633 -542 -96 225 O ATOM 1266 OE2 GLU A 373 28.016 52.901 19.407 1.00 90.18 O ANISOU 1266 OE2 GLU A 373 10994 12389 10883 -620 -69 202 O ATOM 0 H GLU A 373 31.460 52.768 23.646 1.00 23.16 H new ATOM 0 HA GLU A 373 31.891 54.777 22.089 1.00 28.12 H new ATOM 0 HB2 GLU A 373 30.993 53.103 20.887 1.00 43.39 H new ATOM 0 HB3 GLU A 373 29.874 52.822 21.936 1.00 43.39 H new ATOM 0 HG2 GLU A 373 28.611 54.628 21.237 1.00 60.70 H new ATOM 0 HG3 GLU A 373 29.814 55.266 20.476 1.00 60.70 H new ATOM 1273 N AGLN A 374 29.301 55.089 23.979 0.48 21.12 N ANISOU 1273 N AGLN A 374 2325 3445 2253 -393 -77 264 N ATOM 1274 N BGLN A 374 29.357 55.063 24.008 0.52 21.05 N ANISOU 1274 N BGLN A 374 2319 3432 2246 -392 -77 263 N ATOM 1275 CA AGLN A 374 28.340 56.084 24.443 0.48 21.82 C ANISOU 1275 CA AGLN A 374 2365 3591 2334 -358 -81 296 C ATOM 1276 CA BGLN A 374 28.343 55.972 24.485 0.52 21.79 C ANISOU 1276 CA BGLN A 374 2364 3584 2330 -362 -80 293 C ATOM 1277 C AGLN A 374 29.022 57.090 25.366 0.48 18.32 C ANISOU 1277 C AGLN A 374 1938 3094 1928 -282 -86 313 C ATOM 1278 C BGLN A 374 28.966 57.027 25.414 0.52 18.41 C ANISOU 1278 C BGLN A 374 1950 3106 1938 -285 -85 313 C ATOM 1279 O AGLN A 374 28.618 58.251 25.425 0.48 18.41 O ANISOU 1279 O AGLN A 374 1911 3142 1942 -236 -91 343 O ATOM 1280 O BGLN A 374 28.468 58.149 25.517 0.52 18.61 O ANISOU 1280 O BGLN A 374 1936 3172 1964 -242 -90 342 O ATOM 1281 CB AGLN A 374 27.139 55.442 25.158 0.48 26.06 C ANISOU 1281 CB AGLN A 374 2890 4167 2846 -400 -67 293 C ATOM 1282 CB BGLN A 374 27.226 55.182 25.181 0.52 26.25 C ANISOU 1282 CB BGLN A 374 2925 4181 2869 -410 -64 287 C ATOM 1283 CG AGLN A 374 26.086 54.857 24.239 0.48 29.00 C ANISOU 1283 CG AGLN A 374 3219 4625 3173 -467 -62 285 C ATOM 1284 CG BGLN A 374 25.879 55.851 25.168 0.52 28.11 C ANISOU 1284 CG BGLN A 374 3094 4509 3079 -405 -66 313 C ATOM 1285 CD AGLN A 374 25.258 55.900 23.492 0.48 31.18 C ANISOU 1285 CD AGLN A 374 3422 4997 3427 -445 -74 316 C ATOM 1286 CD BGLN A 374 25.350 56.114 23.760 0.52 30.94 C ANISOU 1286 CD BGLN A 374 3395 4954 3405 -427 -75 321 C ATOM 1287 OE1AGLN A 374 24.807 55.534 22.299 0.48 30.33 O flip ANISOU 1287 OE1AGLN A 374 3289 4904 3333 -383 -80 347 O ATOM 1288 OE1BGLN A 374 25.483 55.277 22.858 0.52 31.09 O ANISOU 1288 OE1BGLN A 374 3421 4985 3406 -484 -73 296 O ATOM 1289 NE2AGLN A 374 25.021 57.017 23.981 0.48 32.55 N flip ANISOU 1289 NE2AGLN A 374 3560 5239 3566 -494 -77 306 N ATOM 1290 NE2BGLN A 374 24.756 57.295 23.564 0.52 30.40 N ANISOU 1290 NE2BGLN A 374 3272 4948 3331 -381 -83 356 N ATOM 0 H AGLN A 374 29.239 54.314 24.346 0.48 21.05 H new ATOM 0 H BGLN A 374 29.366 54.295 24.395 0.52 21.05 H new ATOM 0 HA AGLN A 374 28.001 56.543 23.659 0.48 21.79 H new ATOM 0 HA BGLN A 374 27.951 56.445 23.735 0.52 21.79 H new ATOM 0 HB2AGLN A 374 27.465 54.740 25.743 0.48 26.25 H new ATOM 0 HB2BGLN A 374 27.146 54.314 24.755 0.52 26.25 H new ATOM 0 HB3AGLN A 374 26.721 56.110 25.723 0.48 26.25 H new ATOM 0 HB3BGLN A 374 27.485 55.023 26.102 0.52 26.25 H new ATOM 0 HG2AGLN A 374 26.521 54.280 23.592 0.48 28.11 H new ATOM 0 HG2BGLN A 374 25.244 55.296 25.647 0.52 28.11 H new ATOM 0 HG3AGLN A 374 25.489 54.299 24.762 0.48 28.11 H new ATOM 0 HG3BGLN A 374 25.938 56.692 25.647 0.52 28.11 H new ATOM 0 HE21AGLN A 374 25.330 57.221 24.757 0.48 30.40 H new ATOM 0 HE21BGLN A 374 24.681 57.852 24.215 0.52 30.40 H new ATOM 0 HE22AGLN A 374 24.548 57.587 23.543 0.48 30.40 H new ATOM 0 HE22BGLN A 374 24.448 57.498 22.787 0.52 30.40 H new ATOM 1307 N ALA A 375 30.045 56.668 26.102 1.00 19.67 N ANISOU 1307 N ALA A 375 2167 3180 2127 -269 -84 296 N ATOM 1308 CA ALA A 375 30.811 57.649 26.877 1.00 18.22 C ANISOU 1308 CA ALA A 375 1998 2946 1977 -201 -89 309 C ATOM 1309 C ALA A 375 31.419 58.711 25.957 1.00 17.68 C ANISOU 1309 C ALA A 375 1910 2886 1924 -160 -101 321 C ATOM 1310 O ALA A 375 31.444 59.918 26.281 1.00 17.87 O ANISOU 1310 O ALA A 375 1915 2913 1962 -105 -102 343 O ATOM 1311 CB ALA A 375 31.902 56.971 27.674 1.00 16.23 C ANISOU 1311 CB ALA A 375 1810 2608 1749 -195 -87 287 C ATOM 0 H AALA A 375 30.308 55.852 26.169 0.48 19.67 H new ATOM 0 H BALA A 375 30.352 55.865 26.136 0.52 19.67 H new ATOM 0 HA ALA A 375 30.201 58.083 27.493 1.00 18.22 H new ATOM 0 HB1 ALA A 375 32.396 57.636 28.178 1.00 16.23 H new ATOM 0 HB2 ALA A 375 31.506 56.331 28.285 1.00 16.23 H new ATOM 0 HB3 ALA A 375 32.505 56.510 27.070 1.00 16.23 H new ATOM 1317 N ALA A 376 31.918 58.267 24.810 1.00 19.85 N ANISOU 1317 N ALA A 376 2189 3160 2193 -188 -106 305 N ATOM 1318 CA ALA A 376 32.557 59.178 23.885 1.00 17.50 C ANISOU 1318 CA ALA A 376 1876 2864 1908 -154 -115 314 C ATOM 1319 C ALA A 376 31.509 60.153 23.342 1.00 17.42 C ANISOU 1319 C ALA A 376 1804 2937 1877 -136 -117 346 C ATOM 1320 O ALA A 376 31.754 61.354 23.201 1.00 16.47 O ANISOU 1320 O ALA A 376 1668 2819 1773 -82 -118 367 O ATOM 1321 CB ALA A 376 33.236 58.400 22.773 1.00 18.76 C ANISOU 1321 CB ALA A 376 2054 3009 2064 -193 -119 289 C ATOM 0 H ALA A 376 31.895 57.446 24.554 1.00 19.85 H new ATOM 0 HA ALA A 376 33.245 59.690 24.339 1.00 17.50 H new ATOM 0 HB1 ALA A 376 33.661 59.018 22.158 1.00 18.76 H new ATOM 0 HB2 ALA A 376 33.906 57.810 23.153 1.00 18.76 H new ATOM 0 HB3 ALA A 376 32.575 57.874 22.296 1.00 18.76 H new ATOM 1327 N ILE A 377 30.327 59.633 23.034 1.00 16.55 N ANISOU 1327 N ILE A 377 1659 2898 1730 -182 -114 350 N ATOM 1328 CA ILE A 377 29.240 60.482 22.576 1.00 20.09 C ANISOU 1328 CA ILE A 377 2046 3433 2155 -165 -115 383 C ATOM 1329 C ILE A 377 28.895 61.530 23.611 1.00 19.80 C ANISOU 1329 C ILE A 377 1997 3392 2133 -106 -108 411 C ATOM 1330 O ILE A 377 28.744 62.691 23.283 1.00 20.01 O ANISOU 1330 O ILE A 377 1993 3447 2164 -57 -107 440 O ATOM 1331 CB ILE A 377 28.009 59.636 22.235 1.00 26.44 C ANISOU 1331 CB ILE A 377 2815 4314 2915 -228 -112 379 C ATOM 1332 CG1 ILE A 377 28.268 58.883 20.928 1.00 34.33 C ANISOU 1332 CG1 ILE A 377 3814 5335 3895 -282 -117 356 C ATOM 1333 CG2 ILE A 377 26.734 60.516 22.148 1.00 27.82 C ANISOU 1333 CG2 ILE A 377 2923 4581 3065 -204 -111 417 C ATOM 1334 CD1 ILE A 377 27.277 57.785 20.631 1.00 42.45 C ANISOU 1334 CD1 ILE A 377 4823 6424 4883 -359 -111 339 C ATOM 0 H ILE A 377 30.136 58.796 23.083 1.00 16.55 H new ATOM 0 HA ILE A 377 29.533 60.941 21.773 1.00 20.09 H new ATOM 0 HB ILE A 377 27.854 58.991 22.942 1.00 26.44 H new ATOM 0 HG12 ILE A 377 28.259 59.518 20.195 1.00 34.33 H new ATOM 0 HG13 ILE A 377 29.158 58.499 20.960 1.00 34.33 H new ATOM 0 HG21 ILE A 377 25.970 59.959 21.931 1.00 27.82 H new ATOM 0 HG22 ILE A 377 26.583 60.953 23.001 1.00 27.82 H new ATOM 0 HG23 ILE A 377 26.850 61.187 21.457 1.00 27.82 H new ATOM 0 HD11 ILE A 377 27.508 57.358 19.791 1.00 42.45 H new ATOM 0 HD12 ILE A 377 27.299 57.128 21.344 1.00 42.45 H new ATOM 0 HD13 ILE A 377 26.386 58.162 20.567 1.00 42.45 H new ATOM 1346 N ALA A 378 28.772 61.103 24.860 1.00 18.71 N ANISOU 1346 N ALA A 378 1886 3218 2004 -111 -101 403 N ATOM 1347 CA ALA A 378 28.474 62.003 25.962 1.00 19.84 C ANISOU 1347 CA ALA A 378 2023 3351 2163 -60 -93 425 C ATOM 1348 C ALA A 378 29.501 63.100 26.085 1.00 17.37 C ANISOU 1348 C ALA A 378 1729 2986 1886 3 -92 433 C ATOM 1349 O ALA A 378 29.160 64.274 26.245 1.00 18.53 O ANISOU 1349 O ALA A 378 1850 3153 2038 53 -84 462 O ATOM 1350 CB ALA A 378 28.388 61.240 27.248 1.00 24.08 C ANISOU 1350 CB ALA A 378 2596 3848 2706 -79 -86 409 C ATOM 0 H ALA A 378 28.859 60.280 25.093 1.00 18.71 H new ATOM 0 HA ALA A 378 27.617 62.417 25.774 1.00 19.84 H new ATOM 0 HB1 ALA A 378 28.189 61.851 27.974 1.00 24.08 H new ATOM 0 HB2 ALA A 378 27.685 60.575 27.184 1.00 24.08 H new ATOM 0 HB3 ALA A 378 29.235 60.799 27.420 1.00 24.08 H new ATOM 1356 N LEU A 379 30.770 62.726 25.995 1.00 16.83 N ANISOU 1356 N LEU A 379 1707 2849 1841 0 -98 406 N ATOM 1357 CA LEU A 379 31.833 63.717 26.071 1.00 13.64 C ANISOU 1357 CA LEU A 379 1321 2393 1469 54 -97 408 C ATOM 1358 C LEU A 379 31.881 64.650 24.875 1.00 15.35 C ANISOU 1358 C LEU A 379 1506 2644 1683 81 -97 427 C ATOM 1359 O LEU A 379 32.044 65.869 25.036 1.00 16.12 O ANISOU 1359 O LEU A 379 1595 2732 1797 135 -87 447 O ATOM 1360 CB LEU A 379 33.190 63.027 26.199 1.00 14.65 C ANISOU 1360 CB LEU A 379 1502 2444 1619 42 -105 374 C ATOM 1361 CG LEU A 379 33.390 62.382 27.573 1.00 14.64 C ANISOU 1361 CG LEU A 379 1539 2396 1628 36 -102 358 C ATOM 1362 CD1 LEU A 379 34.453 61.291 27.505 1.00 13.47 C ANISOU 1362 CD1 LEU A 379 1438 2190 1489 8 -109 325 C ATOM 1363 CD2 LEU A 379 33.779 63.442 28.615 1.00 14.43 C ANISOU 1363 CD2 LEU A 379 1522 2334 1627 92 -95 367 C ATOM 0 H LEU A 379 31.035 61.914 25.891 1.00 16.83 H new ATOM 0 HA LEU A 379 31.637 64.254 26.855 1.00 13.64 H new ATOM 0 HB2 LEU A 379 33.271 62.348 25.511 1.00 14.65 H new ATOM 0 HB3 LEU A 379 33.895 63.674 26.043 1.00 14.65 H new ATOM 0 HG LEU A 379 32.551 61.977 27.843 1.00 14.64 H new ATOM 0 HD11 LEU A 379 34.566 60.894 28.383 1.00 13.47 H new ATOM 0 HD12 LEU A 379 34.176 60.608 26.875 1.00 13.47 H new ATOM 0 HD13 LEU A 379 35.294 61.676 27.214 1.00 13.47 H new ATOM 0 HD21 LEU A 379 33.902 63.017 29.478 1.00 14.43 H new ATOM 0 HD22 LEU A 379 34.606 63.872 28.346 1.00 14.43 H new ATOM 0 HD23 LEU A 379 33.075 64.107 28.679 1.00 14.43 H new ATOM 1375 N LYS A 380 31.769 64.082 23.692 1.00 17.75 N ANISOU 1375 N LYS A 380 1794 2983 1965 43 -107 421 N ATOM 1376 CA LYS A 380 31.847 64.898 22.497 1.00 22.50 C ANISOU 1376 CA LYS A 380 2368 3619 2563 66 -107 439 C ATOM 1377 C LYS A 380 30.665 65.854 22.386 1.00 21.79 C ANISOU 1377 C LYS A 380 2224 3602 2453 99 -98 481 C ATOM 1378 O LYS A 380 30.761 66.907 21.756 1.00 21.53 O ANISOU 1378 O LYS A 380 2171 3585 2423 142 -91 505 O ATOM 1379 CB LYS A 380 31.908 64.022 21.252 1.00 23.72 C ANISOU 1379 CB LYS A 380 2515 3802 2694 14 -119 423 C ATOM 1380 CG LYS A 380 33.190 63.291 21.128 1.00 23.85 C ANISOU 1380 CG LYS A 380 2582 3747 2733 -7 -125 386 C ATOM 1381 CD LYS A 380 33.133 62.319 19.979 1.00 27.40 C ANISOU 1381 CD LYS A 380 3026 4226 3158 -65 -134 369 C ATOM 1382 CE LYS A 380 34.511 61.999 19.493 1.00 31.61 C ANISOU 1382 CE LYS A 380 3602 4694 3716 -70 -138 341 C ATOM 1383 NZ LYS A 380 34.489 61.130 18.307 1.00 36.68 N ANISOU 1383 NZ LYS A 380 4239 5363 4334 -125 -144 323 N ATOM 0 H LYS A 380 31.649 63.241 23.557 1.00 17.75 H new ATOM 0 HA LYS A 380 32.659 65.424 22.564 1.00 22.50 H new ATOM 0 HB2 LYS A 380 31.177 63.384 21.274 1.00 23.72 H new ATOM 0 HB3 LYS A 380 31.778 64.575 20.466 1.00 23.72 H new ATOM 0 HG2 LYS A 380 33.916 63.920 20.991 1.00 23.85 H new ATOM 0 HG3 LYS A 380 33.379 62.815 21.952 1.00 23.85 H new ATOM 0 HD2 LYS A 380 32.686 61.505 20.259 1.00 27.40 H new ATOM 0 HD3 LYS A 380 32.609 62.696 19.255 1.00 27.40 H new ATOM 0 HE2 LYS A 380 34.978 62.823 19.281 1.00 31.61 H new ATOM 0 HE3 LYS A 380 35.010 61.565 20.202 1.00 31.61 H new ATOM 0 HZ1 LYS A 380 35.252 60.675 18.258 1.00 36.68 H new ATOM 0 HZ2 LYS A 380 33.808 60.561 18.368 1.00 36.68 H new ATOM 0 HZ3 LYS A 380 34.394 61.628 17.576 1.00 36.68 H new ATOM 1397 N ASN A 381 29.536 65.481 22.986 1.00 16.87 N ANISOU 1397 N ASN A 381 1578 3026 1808 79 -95 491 N ATOM 1398 CA ASN A 381 28.345 66.316 22.920 1.00 24.45 C ANISOU 1398 CA ASN A 381 2483 4060 2746 109 -86 532 C ATOM 1399 C ASN A 381 28.082 67.129 24.179 1.00 21.49 C ANISOU 1399 C ASN A 381 2113 3661 2391 157 -69 550 C ATOM 1400 O ASN A 381 26.988 67.657 24.369 1.00 21.00 O ANISOU 1400 O ASN A 381 2008 3658 2311 178 -59 582 O ATOM 1401 CB ASN A 381 27.135 65.445 22.601 1.00 38.30 C ANISOU 1401 CB ASN A 381 4197 5897 4458 55 -93 533 C ATOM 1402 CG ASN A 381 27.082 65.069 21.139 1.00 56.67 C ANISOU 1402 CG ASN A 381 6499 8277 6757 21 -105 530 C ATOM 1403 OD1 ASN A 381 27.483 63.976 20.753 1.00 53.62 O ANISOU 1403 OD1 ASN A 381 6135 7874 6364 -36 -114 496 O ATOM 1404 ND2 ASN A 381 26.620 65.998 20.307 1.00 73.57 N ANISOU 1404 ND2 ASN A 381 8593 10480 8880 58 -102 565 N ATOM 0 H ASN A 381 29.441 64.752 23.433 1.00 16.87 H new ATOM 0 HA ASN A 381 28.503 66.964 22.216 1.00 24.45 H new ATOM 0 HB2 ASN A 381 27.165 64.640 23.141 1.00 38.30 H new ATOM 0 HB3 ASN A 381 26.323 65.918 22.843 1.00 38.30 H new ATOM 0 HD21 ASN A 381 26.594 65.843 19.461 1.00 73.57 H new ATOM 0 HD22 ASN A 381 26.347 66.753 20.615 1.00 73.57 H new ATOM 1411 N ALA A 382 29.082 67.242 25.046 1.00 25.18 N ANISOU 1411 N ALA A 382 2630 4044 2894 175 -65 530 N ATOM 1412 CA ALA A 382 28.890 67.883 26.342 1.00 25.35 C ANISOU 1412 CA ALA A 382 2662 4038 2933 212 -49 541 C ATOM 1413 C ALA A 382 28.857 69.422 26.285 1.00 28.90 C ANISOU 1413 C ALA A 382 3095 4490 3397 280 -28 574 C ATOM 1414 O ALA A 382 28.553 70.064 27.290 1.00 29.11 O ANISOU 1414 O ALA A 382 3123 4501 3435 313 -10 587 O ATOM 1415 CB ALA A 382 29.990 67.440 27.326 1.00 19.28 C ANISOU 1415 CB ALA A 382 1951 3181 2194 206 -52 506 C ATOM 0 H ALA A 382 29.880 66.954 24.903 1.00 25.18 H new ATOM 0 HA ALA A 382 28.015 67.594 26.647 1.00 25.35 H new ATOM 0 HB1 ALA A 382 29.851 67.873 28.183 1.00 19.28 H new ATOM 0 HB2 ALA A 382 29.953 66.477 27.441 1.00 19.28 H new ATOM 0 HB3 ALA A 382 30.859 67.691 26.975 1.00 19.28 H new ATOM 1421 N GLY A 383 29.170 70.025 25.146 1.00 29.46 N ANISOU 1421 N GLY A 383 3151 4575 3466 302 -26 587 N ATOM 1422 CA GLY A 383 29.076 71.472 25.066 1.00 29.71 C ANISOU 1422 CA GLY A 383 3169 4610 3510 367 -1 620 C ATOM 1423 C GLY A 383 30.386 72.135 25.395 1.00 25.49 C ANISOU 1423 C GLY A 383 2680 3990 3014 398 11 601 C ATOM 1424 O GLY A 383 31.391 71.458 25.575 1.00 21.95 O ANISOU 1424 O GLY A 383 2271 3486 2581 370 -4 563 O ATOM 0 H GLY A 383 29.431 69.628 24.429 1.00 29.46 H new ATOM 0 HA2 GLY A 383 28.798 71.729 24.173 1.00 29.71 H new ATOM 0 HA3 GLY A 383 28.392 71.786 25.677 1.00 29.71 H new ATOM 1428 N GLN A 384 30.383 73.460 25.474 1.00 22.66 N ANISOU 1428 N GLN A 384 2320 3620 2670 454 40 626 N ATOM 1429 CA GLN A 384 31.652 74.191 25.540 1.00 23.22 C ANISOU 1429 CA GLN A 384 2432 3616 2775 482 55 607 C ATOM 1430 C GLN A 384 32.278 74.117 26.936 1.00 20.28 C ANISOU 1430 C GLN A 384 2098 3179 2429 482 58 579 C ATOM 1431 O GLN A 384 33.495 74.140 27.075 1.00 19.98 O ANISOU 1431 O GLN A 384 2098 3079 2416 480 56 547 O ATOM 1432 CB GLN A 384 31.459 75.648 25.113 1.00 30.83 C ANISOU 1432 CB GLN A 384 3402 4571 3742 521 95 625 C ATOM 1433 CG GLN A 384 30.856 75.759 23.693 1.00 43.50 C ANISOU 1433 CG GLN A 384 4976 6234 5317 517 95 648 C ATOM 1434 CD GLN A 384 30.170 77.093 23.410 1.00 53.37 C ANISOU 1434 CD GLN A 384 6222 7497 6558 556 135 679 C ATOM 1435 OE1 GLN A 384 30.744 77.972 22.761 1.00 55.17 O ANISOU 1435 OE1 GLN A 384 6470 7696 6796 580 156 681 O ATOM 1436 NE2 GLN A 384 28.925 77.234 23.870 1.00 54.87 N ANISOU 1436 NE2 GLN A 384 6387 7733 6727 562 146 705 N ATOM 0 H GLN A 384 29.676 73.950 25.491 1.00 22.66 H new ATOM 0 HA GLN A 384 32.266 73.765 24.922 1.00 23.22 H new ATOM 0 HB2 GLN A 384 30.877 76.096 25.747 1.00 30.83 H new ATOM 0 HB3 GLN A 384 32.313 76.108 25.138 1.00 30.83 H new ATOM 0 HG2 GLN A 384 31.561 75.624 23.041 1.00 43.50 H new ATOM 0 HG3 GLN A 384 30.214 75.043 23.568 1.00 43.50 H new ATOM 0 HE21 GLN A 384 28.558 76.599 24.319 1.00 54.87 H new ATOM 0 HE22 GLN A 384 28.490 77.960 23.718 1.00 54.87 H new ATOM 1445 N THR A 385 31.433 74.015 27.951 1.00 20.78 N ANISOU 1445 N THR A 385 2152 3259 2485 481 64 590 N ATOM 1446 CA THR A 385 31.876 73.880 29.335 1.00 21.80 C ANISOU 1446 CA THR A 385 2316 3334 2633 477 67 565 C ATOM 1447 C THR A 385 31.611 72.456 29.790 1.00 20.27 C ANISOU 1447 C THR A 385 2127 3150 2424 424 39 545 C ATOM 1448 O THR A 385 30.463 71.997 29.815 1.00 18.25 O ANISOU 1448 O THR A 385 1840 2951 2143 406 34 564 O ATOM 1449 CB THR A 385 31.165 74.860 30.264 1.00 26.85 C ANISOU 1449 CB THR A 385 2947 3977 3278 517 99 591 C ATOM 1450 OG1 THR A 385 31.208 76.172 29.682 1.00 29.48 O ANISOU 1450 OG1 THR A 385 3280 4303 3619 556 132 608 O ATOM 1451 CG2 THR A 385 31.832 74.877 31.616 1.00 24.16 C ANISOU 1451 CG2 THR A 385 2647 3575 2960 516 105 561 C ATOM 0 H THR A 385 30.578 74.022 27.858 1.00 20.78 H new ATOM 0 HA THR A 385 32.823 74.084 29.375 1.00 21.80 H new ATOM 0 HB THR A 385 30.243 74.582 30.379 1.00 26.85 H new ATOM 0 HG1 THR A 385 30.425 76.448 29.555 1.00 29.48 H new ATOM 0 HG21 THR A 385 31.371 75.503 32.196 1.00 24.16 H new ATOM 0 HG22 THR A 385 31.797 73.989 32.006 1.00 24.16 H new ATOM 0 HG23 THR A 385 32.758 75.150 31.517 1.00 24.16 H new ATOM 1459 N VAL A 386 32.678 71.737 30.123 1.00 18.51 N ANISOU 1459 N VAL A 386 1944 2874 2216 398 22 506 N ATOM 1460 CA VAL A 386 32.541 70.320 30.406 1.00 18.57 C ANISOU 1460 CA VAL A 386 1960 2886 2208 348 -3 486 C ATOM 1461 C VAL A 386 32.920 70.077 31.861 1.00 17.55 C ANISOU 1461 C VAL A 386 1866 2709 2093 347 -1 465 C ATOM 1462 O VAL A 386 34.069 70.307 32.261 1.00 18.22 O ANISOU 1462 O VAL A 386 1985 2738 2201 359 -1 441 O ATOM 1463 CB VAL A 386 33.398 69.482 29.426 1.00 18.64 C ANISOU 1463 CB VAL A 386 1985 2880 2217 315 -25 461 C ATOM 1464 CG1 VAL A 386 33.221 67.998 29.663 1.00 19.97 C ANISOU 1464 CG1 VAL A 386 2166 3052 2370 262 -45 441 C ATOM 1465 CG2 VAL A 386 33.008 69.805 28.001 1.00 19.95 C ANISOU 1465 CG2 VAL A 386 2116 3096 2368 318 -25 482 C ATOM 0 H VAL A 386 33.477 72.047 30.189 1.00 18.51 H new ATOM 0 HA VAL A 386 31.622 70.038 30.276 1.00 18.57 H new ATOM 0 HB VAL A 386 34.329 69.708 29.579 1.00 18.64 H new ATOM 0 HG11 VAL A 386 33.769 67.502 29.035 1.00 19.97 H new ATOM 0 HG12 VAL A 386 33.491 67.780 30.569 1.00 19.97 H new ATOM 0 HG13 VAL A 386 32.289 67.759 29.537 1.00 19.97 H new ATOM 0 HG21 VAL A 386 33.547 69.278 27.390 1.00 19.95 H new ATOM 0 HG22 VAL A 386 32.070 69.596 27.867 1.00 19.95 H new ATOM 0 HG23 VAL A 386 33.156 70.748 27.831 1.00 19.95 H new ATOM 1475 N THR A 387 31.960 69.583 32.643 1.00 16.25 N ANISOU 1475 N THR A 387 1692 2570 1913 330 -1 475 N ATOM 1476 CA THR A 387 32.183 69.377 34.084 1.00 16.34 C ANISOU 1476 CA THR A 387 1734 2541 1933 330 2 459 C ATOM 1477 C THR A 387 32.348 67.889 34.316 1.00 13.17 C ANISOU 1477 C THR A 387 1356 2129 1521 283 -20 436 C ATOM 1478 O THR A 387 31.394 67.118 34.183 1.00 14.48 O ANISOU 1478 O THR A 387 1503 2336 1662 250 -25 444 O ATOM 1479 CB THR A 387 31.016 69.944 34.964 1.00 20.04 C ANISOU 1479 CB THR A 387 2181 3039 2393 349 22 485 C ATOM 1480 OG1 THR A 387 30.921 71.357 34.774 1.00 21.23 O ANISOU 1480 OG1 THR A 387 2315 3194 2557 397 48 508 O ATOM 1481 CG2 THR A 387 31.258 69.661 36.440 1.00 19.54 C ANISOU 1481 CG2 THR A 387 2151 2936 2338 346 24 468 C ATOM 0 H THR A 387 31.177 69.361 32.366 1.00 16.25 H new ATOM 0 HA THR A 387 32.979 69.863 34.351 1.00 16.34 H new ATOM 0 HB THR A 387 30.192 69.510 34.693 1.00 20.04 H new ATOM 0 HG1 THR A 387 30.418 71.519 34.121 1.00 21.23 H new ATOM 0 HG21 THR A 387 30.524 70.020 36.963 1.00 19.54 H new ATOM 0 HG22 THR A 387 31.316 68.703 36.581 1.00 19.54 H new ATOM 0 HG23 THR A 387 32.088 70.079 36.718 1.00 19.54 H new ATOM 1489 N ILE A 388 33.582 67.490 34.611 1.00 13.41 N ANISOU 1489 N ILE A 388 1425 2103 1566 279 -31 406 N ATOM 1490 CA ILE A 388 33.920 66.077 34.822 1.00 12.80 C ANISOU 1490 CA ILE A 388 1377 2006 1481 239 -48 383 C ATOM 1491 C ILE A 388 34.090 65.824 36.302 1.00 12.94 C ANISOU 1491 C ILE A 388 1424 1991 1502 245 -46 372 C ATOM 1492 O ILE A 388 34.725 66.621 37.001 1.00 14.62 O ANISOU 1492 O ILE A 388 1650 2172 1733 278 -38 366 O ATOM 1493 CB ILE A 388 35.190 65.720 34.037 1.00 12.25 C ANISOU 1493 CB ILE A 388 1329 1901 1423 233 -63 359 C ATOM 1494 CG1 ILE A 388 34.863 65.724 32.557 1.00 17.71 C ANISOU 1494 CG1 ILE A 388 1991 2632 2105 218 -67 369 C ATOM 1495 CG2 ILE A 388 35.772 64.382 34.459 1.00 14.19 C ANISOU 1495 CG2 ILE A 388 1613 2113 1666 203 -76 334 C ATOM 1496 CD1 ILE A 388 36.067 65.776 31.682 1.00 17.90 C ANISOU 1496 CD1 ILE A 388 2030 2625 2145 222 -76 350 C ATOM 0 H ILE A 388 34.249 68.027 34.695 1.00 13.41 H new ATOM 0 HA ILE A 388 33.204 65.510 34.495 1.00 12.80 H new ATOM 0 HB ILE A 388 35.869 66.385 34.230 1.00 12.25 H new ATOM 0 HG12 ILE A 388 34.352 64.928 32.344 1.00 17.71 H new ATOM 0 HG13 ILE A 388 34.296 66.486 32.360 1.00 17.71 H new ATOM 0 HG21 ILE A 388 36.570 64.198 33.939 1.00 14.19 H new ATOM 0 HG22 ILE A 388 36.000 64.411 35.401 1.00 14.19 H new ATOM 0 HG23 ILE A 388 35.118 63.682 34.306 1.00 14.19 H new ATOM 0 HD11 ILE A 388 35.792 65.776 30.752 1.00 17.90 H new ATOM 0 HD12 ILE A 388 36.569 66.584 31.870 1.00 17.90 H new ATOM 0 HD13 ILE A 388 36.625 65.002 31.853 1.00 17.90 H new ATOM 1508 N ILE A 389 33.505 64.737 36.798 1.00 12.38 N ANISOU 1508 N ILE A 389 1363 1927 1413 211 -50 370 N ATOM 1509 CA ILE A 389 33.869 64.209 38.110 1.00 10.06 C ANISOU 1509 CA ILE A 389 1105 1595 1121 211 -51 356 C ATOM 1510 C ILE A 389 34.770 63.033 37.802 1.00 11.22 C ANISOU 1510 C ILE A 389 1286 1709 1268 187 -66 333 C ATOM 1511 O ILE A 389 34.340 62.104 37.123 1.00 12.90 O ANISOU 1511 O ILE A 389 1497 1941 1465 148 -70 332 O ATOM 1512 CB ILE A 389 32.663 63.743 38.954 1.00 13.98 C ANISOU 1512 CB ILE A 389 1597 2116 1598 192 -41 370 C ATOM 1513 CG1 ILE A 389 31.660 64.861 39.151 1.00 19.86 C ANISOU 1513 CG1 ILE A 389 2304 2900 2342 216 -25 396 C ATOM 1514 CG2 ILE A 389 33.160 63.151 40.302 1.00 16.10 C ANISOU 1514 CG2 ILE A 389 1907 2341 1867 194 -43 355 C ATOM 1515 CD1 ILE A 389 32.210 66.047 39.814 1.00 22.07 C ANISOU 1515 CD1 ILE A 389 2590 3154 2642 260 -14 396 C ATOM 0 H ILE A 389 32.894 64.290 36.390 1.00 12.38 H new ATOM 0 HA ILE A 389 34.288 64.901 38.645 1.00 10.06 H new ATOM 0 HB ILE A 389 32.196 63.041 38.474 1.00 13.98 H new ATOM 0 HG12 ILE A 389 31.305 65.121 38.286 1.00 19.86 H new ATOM 0 HG13 ILE A 389 30.915 64.526 39.674 1.00 19.86 H new ATOM 0 HG21 ILE A 389 32.399 62.860 40.828 1.00 16.10 H new ATOM 0 HG22 ILE A 389 33.741 62.394 40.129 1.00 16.10 H new ATOM 0 HG23 ILE A 389 33.651 63.829 40.792 1.00 16.10 H new ATOM 0 HD11 ILE A 389 31.515 66.718 39.906 1.00 22.07 H new ATOM 0 HD12 ILE A 389 32.541 65.803 40.692 1.00 22.07 H new ATOM 0 HD13 ILE A 389 32.938 66.407 39.283 1.00 22.07 H new ATOM 1527 N ALA A 390 35.989 63.067 38.339 1.00 12.99 N ANISOU 1527 N ALA A 390 1541 1886 1507 208 -73 314 N ATOM 1528 CA ALA A 390 37.006 62.040 38.073 1.00 10.88 C ANISOU 1528 CA ALA A 390 1308 1583 1243 193 -86 292 C ATOM 1529 C ALA A 390 37.520 61.483 39.391 1.00 12.27 C ANISOU 1529 C ALA A 390 1521 1723 1417 202 -88 281 C ATOM 1530 O ALA A 390 37.516 62.154 40.435 1.00 13.19 O ANISOU 1530 O ALA A 390 1639 1835 1538 228 -82 284 O ATOM 1531 CB ALA A 390 38.177 62.621 37.255 1.00 13.81 C ANISOU 1531 CB ALA A 390 1678 1935 1634 213 -94 278 C ATOM 0 H ALA A 390 36.254 63.689 38.871 1.00 12.99 H new ATOM 0 HA ALA A 390 36.599 61.329 37.554 1.00 10.88 H new ATOM 0 HB1 ALA A 390 38.834 61.926 37.092 1.00 13.81 H new ATOM 0 HB2 ALA A 390 37.845 62.957 36.408 1.00 13.81 H new ATOM 0 HB3 ALA A 390 38.589 63.346 37.750 1.00 13.81 H new ATOM 1537 N GLN A 391 37.998 60.256 39.315 1.00 12.75 N ANISOU 1537 N GLN A 391 1613 1759 1471 182 -94 269 N ATOM 1538 CA GLN A 391 38.529 59.566 40.487 1.00 9.91 C ANISOU 1538 CA GLN A 391 1292 1366 1107 191 -95 261 C ATOM 1539 C GLN A 391 39.695 58.679 40.057 1.00 11.17 C ANISOU 1539 C GLN A 391 1483 1490 1272 188 -105 243 C ATOM 1540 O GLN A 391 39.565 57.868 39.139 1.00 10.02 O ANISOU 1540 O GLN A 391 1342 1344 1120 157 -104 241 O ATOM 1541 CB GLN A 391 37.457 58.731 41.164 1.00 14.90 C ANISOU 1541 CB GLN A 391 1935 2007 1717 164 -84 272 C ATOM 1542 CG GLN A 391 37.960 58.074 42.393 1.00 16.34 C ANISOU 1542 CG GLN A 391 2158 2157 1894 178 -84 267 C ATOM 1543 CD GLN A 391 36.847 57.579 43.254 1.00 17.85 C ANISOU 1543 CD GLN A 391 2356 2359 2065 159 -70 279 C ATOM 1544 OE1 GLN A 391 35.819 57.109 42.756 1.00 17.49 O ANISOU 1544 OE1 GLN A 391 2299 2338 2007 122 -59 287 O ATOM 1545 NE2 GLN A 391 37.027 57.697 44.551 1.00 16.92 N ANISOU 1545 NE2 GLN A 391 2258 2228 1945 183 -68 281 N ATOM 0 H GLN A 391 38.027 59.796 38.589 1.00 12.75 H new ATOM 0 HA GLN A 391 38.836 60.227 41.128 1.00 9.91 H new ATOM 0 HB2 GLN A 391 36.700 59.296 41.387 1.00 14.90 H new ATOM 0 HB3 GLN A 391 37.135 58.056 40.546 1.00 14.90 H new ATOM 0 HG2 GLN A 391 38.535 57.332 42.150 1.00 16.34 H new ATOM 0 HG3 GLN A 391 38.503 58.701 42.896 1.00 16.34 H new ATOM 0 HE21 GLN A 391 37.759 58.030 44.855 1.00 16.92 H new ATOM 0 HE22 GLN A 391 36.413 57.441 45.095 1.00 16.92 H new ATOM 1554 N TYR A 392 40.842 58.875 40.691 1.00 12.81 N ANISOU 1554 N TYR A 392 1708 1669 1489 221 -114 230 N ATOM 1555 CA TYR A 392 42.075 58.164 40.307 1.00 10.22 C ANISOU 1555 CA TYR A 392 1407 1308 1168 227 -124 214 C ATOM 1556 C TYR A 392 42.018 56.700 40.702 1.00 13.04 C ANISOU 1556 C TYR A 392 1804 1643 1509 209 -117 216 C ATOM 1557 O TYR A 392 41.869 56.387 41.895 1.00 12.08 O ANISOU 1557 O TYR A 392 1702 1513 1376 220 -113 222 O ATOM 1558 CB TYR A 392 43.268 58.855 40.961 1.00 12.73 C ANISOU 1558 CB TYR A 392 1729 1611 1498 268 -134 200 C ATOM 1559 CG TYR A 392 44.617 58.336 40.507 1.00 12.62 C ANISOU 1559 CG TYR A 392 1733 1568 1493 279 -145 183 C ATOM 1560 CD1 TYR A 392 44.958 58.306 39.151 1.00 13.45 C ANISOU 1560 CD1 TYR A 392 1830 1671 1610 265 -148 175 C ATOM 1561 CD2 TYR A 392 45.566 57.907 41.437 1.00 14.68 C ANISOU 1561 CD2 TYR A 392 2020 1807 1749 306 -152 175 C ATOM 1562 CE1 TYR A 392 46.206 57.835 38.730 1.00 15.96 C ANISOU 1562 CE1 TYR A 392 2165 1962 1937 276 -157 159 C ATOM 1563 CE2 TYR A 392 46.797 57.442 41.026 1.00 13.22 C ANISOU 1563 CE2 TYR A 392 1851 1599 1572 319 -162 160 C ATOM 1564 CZ TYR A 392 47.116 57.407 39.667 1.00 15.15 C ANISOU 1564 CZ TYR A 392 2087 1840 1831 304 -163 152 C ATOM 1565 OH TYR A 392 48.338 56.954 39.229 1.00 16.99 O ANISOU 1565 OH TYR A 392 2334 2049 2073 316 -172 137 O ATOM 0 H TYR A 392 40.937 59.417 41.352 1.00 12.81 H new ATOM 0 HA TYR A 392 42.169 58.194 39.342 1.00 10.22 H new ATOM 0 HB2 TYR A 392 43.220 59.806 40.774 1.00 12.73 H new ATOM 0 HB3 TYR A 392 43.201 58.751 41.923 1.00 12.73 H new ATOM 0 HD1 TYR A 392 44.345 58.604 38.519 1.00 13.45 H new ATOM 0 HD2 TYR A 392 45.365 57.935 42.345 1.00 14.68 H new ATOM 0 HE1 TYR A 392 46.418 57.812 37.825 1.00 15.96 H new ATOM 0 HE2 TYR A 392 47.417 57.151 41.655 1.00 13.22 H new ATOM 0 HH TYR A 392 48.679 56.458 39.814 1.00 16.99 H new ATOM 1575 N LYS A 393 42.121 55.817 39.698 1.00 11.35 N ANISOU 1575 N LYS A 393 1602 1418 1293 181 -114 211 N ATOM 1576 CA LYS A 393 41.937 54.377 39.863 1.00 12.27 C ANISOU 1576 CA LYS A 393 1757 1512 1394 156 -101 213 C ATOM 1577 C LYS A 393 43.041 53.640 39.099 1.00 12.01 C ANISOU 1577 C LYS A 393 1748 1446 1370 157 -103 200 C ATOM 1578 O LYS A 393 42.785 52.956 38.113 1.00 15.22 O ANISOU 1578 O LYS A 393 2160 1850 1772 121 -94 196 O ATOM 1579 CB LYS A 393 40.549 53.919 39.381 1.00 13.15 C ANISOU 1579 CB LYS A 393 1858 1649 1490 107 -85 222 C ATOM 1580 CG LYS A 393 39.397 54.379 40.298 1.00 15.29 C ANISOU 1580 CG LYS A 393 2112 1948 1748 105 -78 237 C ATOM 1581 CD LYS A 393 39.325 53.561 41.544 1.00 24.20 C ANISOU 1581 CD LYS A 393 3281 3052 2864 110 -67 242 C ATOM 1582 CE LYS A 393 38.044 53.874 42.333 1.00 29.96 C ANISOU 1582 CE LYS A 393 3994 3810 3579 99 -57 256 C ATOM 1583 NZ LYS A 393 37.506 52.654 42.974 1.00 36.35 N ANISOU 1583 NZ LYS A 393 4842 4602 4369 74 -37 260 N ATOM 0 H LYS A 393 42.303 56.048 38.890 1.00 11.35 H new ATOM 0 HA LYS A 393 41.993 54.166 40.808 1.00 12.27 H new ATOM 0 HB2 LYS A 393 40.396 54.260 38.486 1.00 13.15 H new ATOM 0 HB3 LYS A 393 40.538 52.951 39.321 1.00 13.15 H new ATOM 0 HG2 LYS A 393 39.521 55.313 40.530 1.00 15.29 H new ATOM 0 HG3 LYS A 393 38.556 54.315 39.819 1.00 15.29 H new ATOM 0 HD2 LYS A 393 39.348 52.618 41.318 1.00 24.20 H new ATOM 0 HD3 LYS A 393 40.102 53.739 42.097 1.00 24.20 H new ATOM 0 HE2 LYS A 393 38.232 54.543 43.010 1.00 29.96 H new ATOM 0 HE3 LYS A 393 37.378 54.252 41.738 1.00 29.96 H new ATOM 0 HZ1 LYS A 393 36.782 52.862 43.448 1.00 36.35 H new ATOM 0 HZ2 LYS A 393 37.289 52.060 42.348 1.00 36.35 H new ATOM 0 HZ3 LYS A 393 38.123 52.305 43.512 1.00 36.35 H new ATOM 1597 N PRO A 394 44.283 53.771 39.562 1.00 14.39 N ANISOU 1597 N PRO A 394 2063 1724 1681 197 -115 191 N ATOM 1598 CA PRO A 394 45.399 53.248 38.755 1.00 12.32 C ANISOU 1598 CA PRO A 394 1818 1435 1430 202 -119 178 C ATOM 1599 C PRO A 394 45.440 51.737 38.668 1.00 15.97 C ANISOU 1599 C PRO A 394 2324 1864 1880 182 -101 180 C ATOM 1600 O PRO A 394 45.935 51.225 37.660 1.00 16.27 O ANISOU 1600 O PRO A 394 2372 1885 1924 167 -97 171 O ATOM 1601 CB PRO A 394 46.645 53.805 39.474 1.00 13.21 C ANISOU 1601 CB PRO A 394 1930 1537 1552 253 -136 170 C ATOM 1602 CG PRO A 394 46.182 54.053 40.893 1.00 14.98 C ANISOU 1602 CG PRO A 394 2157 1772 1763 271 -135 181 C ATOM 1603 CD PRO A 394 44.746 54.521 40.738 1.00 14.27 C ANISOU 1603 CD PRO A 394 2042 1712 1667 240 -126 192 C ATOM 0 HA PRO A 394 45.324 53.521 37.827 1.00 12.32 H new ATOM 0 HB2 PRO A 394 47.380 53.173 39.447 1.00 13.21 H new ATOM 0 HB3 PRO A 394 46.958 54.623 39.056 1.00 13.21 H new ATOM 0 HG2 PRO A 394 46.236 53.247 41.430 1.00 14.98 H new ATOM 0 HG3 PRO A 394 46.728 54.724 41.332 1.00 14.98 H new ATOM 0 HD2 PRO A 394 44.215 54.320 41.525 1.00 14.27 H new ATOM 0 HD3 PRO A 394 44.693 55.479 40.597 1.00 14.27 H new ATOM 1611 N GLU A 395 44.951 51.035 39.687 1.00 14.10 N ANISOU 1611 N GLU A 395 2115 1617 1625 181 -87 192 N ATOM 1612 CA GLU A 395 44.959 49.574 39.669 1.00 17.27 C ANISOU 1612 CA GLU A 395 2564 1983 2014 163 -63 195 C ATOM 1613 C GLU A 395 44.088 49.057 38.536 1.00 18.39 C ANISOU 1613 C GLU A 395 2704 2132 2151 104 -46 191 C ATOM 1614 O GLU A 395 44.493 48.203 37.772 1.00 17.82 O ANISOU 1614 O GLU A 395 2657 2034 2080 86 -33 183 O ATOM 1615 CB GLU A 395 44.484 48.998 41.010 1.00 19.95 C ANISOU 1615 CB GLU A 395 2934 2311 2334 172 -49 210 C ATOM 1616 CG GLU A 395 45.475 49.197 42.146 1.00 21.81 C ANISOU 1616 CG GLU A 395 3182 2536 2569 230 -63 215 C ATOM 1617 CD GLU A 395 45.497 50.622 42.687 1.00 22.38 C ANISOU 1617 CD GLU A 395 3212 2642 2649 256 -87 212 C ATOM 1618 OE1 GLU A 395 44.497 51.362 42.501 1.00 20.60 O ANISOU 1618 OE1 GLU A 395 2954 2448 2424 232 -88 214 O ATOM 1619 OE2 GLU A 395 46.520 51.014 43.313 1.00 23.90 O ANISOU 1619 OE2 GLU A 395 3403 2832 2845 301 -103 209 O ATOM 0 H GLU A 395 44.611 51.384 40.396 1.00 14.10 H new ATOM 0 HA GLU A 395 45.872 49.281 39.524 1.00 17.27 H new ATOM 0 HB2 GLU A 395 43.641 49.413 41.251 1.00 19.95 H new ATOM 0 HB3 GLU A 395 44.313 48.049 40.903 1.00 19.95 H new ATOM 0 HG2 GLU A 395 45.256 48.587 42.868 1.00 21.81 H new ATOM 0 HG3 GLU A 395 46.364 48.962 41.836 1.00 21.81 H new ATOM 1626 N GLU A 396 42.874 49.575 38.436 1.00 14.50 N ANISOU 1626 N GLU A 396 2181 1679 1651 74 -45 196 N ATOM 1627 CA GLU A 396 41.968 49.189 37.366 1.00 17.29 C ANISOU 1627 CA GLU A 396 2523 2051 1996 16 -30 191 C ATOM 1628 C GLU A 396 42.541 49.562 36.012 1.00 18.00 C ANISOU 1628 C GLU A 396 2591 2147 2101 9 -42 178 C ATOM 1629 O GLU A 396 42.486 48.793 35.051 1.00 19.28 O ANISOU 1629 O GLU A 396 2767 2300 2260 -30 -28 168 O ATOM 1630 CB GLU A 396 40.617 49.882 37.529 1.00 20.20 C ANISOU 1630 CB GLU A 396 2853 2469 2354 -6 -32 200 C ATOM 1631 CG GLU A 396 39.735 49.310 38.612 1.00 26.87 C ANISOU 1631 CG GLU A 396 3719 3312 3179 -19 -13 210 C ATOM 1632 CD GLU A 396 40.105 49.766 39.992 1.00 32.08 C ANISOU 1632 CD GLU A 396 4386 3960 3841 31 -23 221 C ATOM 1633 OE1 GLU A 396 41.084 50.548 40.150 1.00 29.27 O ANISOU 1633 OE1 GLU A 396 4019 3600 3502 77 -45 218 O ATOM 1634 OE2 GLU A 396 39.401 49.348 40.937 1.00 38.83 O ANISOU 1634 OE2 GLU A 396 5260 4814 4681 24 -8 230 O ATOM 0 H GLU A 396 42.553 50.157 38.982 1.00 14.50 H new ATOM 0 HA GLU A 396 41.852 48.227 37.416 1.00 17.29 H new ATOM 0 HB2 GLU A 396 40.771 50.821 37.718 1.00 20.20 H new ATOM 0 HB3 GLU A 396 40.141 49.837 36.685 1.00 20.20 H new ATOM 0 HG2 GLU A 396 38.814 49.558 38.434 1.00 26.87 H new ATOM 0 HG3 GLU A 396 39.779 48.342 38.577 1.00 26.87 H new ATOM 1641 N TYR A 397 43.075 50.769 35.932 1.00 18.71 N ANISOU 1641 N TYR A 397 2903 1911 2294 -124 12 -11 N ATOM 1642 CA TYR A 397 43.585 51.227 34.664 1.00 15.02 C ANISOU 1642 CA TYR A 397 2378 1490 1841 -139 11 -1 C ATOM 1643 C TYR A 397 44.739 50.332 34.200 1.00 17.71 C ANISOU 1643 C TYR A 397 2736 1858 2137 -73 18 -9 C ATOM 1644 O TYR A 397 44.842 49.999 33.014 1.00 18.97 O ANISOU 1644 O TYR A 397 2894 2028 2283 -80 31 -3 O ATOM 1645 CB TYR A 397 44.066 52.694 34.730 1.00 14.11 C ANISOU 1645 CB TYR A 397 2163 1423 1773 -164 -12 5 C ATOM 1646 CG TYR A 397 44.801 52.991 33.468 1.00 13.61 C ANISOU 1646 CG TYR A 397 2046 1410 1715 -165 -12 13 C ATOM 1647 CD1 TYR A 397 44.137 53.356 32.314 1.00 13.53 C ANISOU 1647 CD1 TYR A 397 2014 1400 1726 -224 -3 27 C ATOM 1648 CD2 TYR A 397 46.168 52.783 33.401 1.00 16.89 C ANISOU 1648 CD2 TYR A 397 2438 1871 2109 -104 -19 5 C ATOM 1649 CE1 TYR A 397 44.823 53.528 31.126 1.00 14.05 C ANISOU 1649 CE1 TYR A 397 2036 1511 1792 -223 -1 33 C ATOM 1650 CE2 TYR A 397 46.852 52.946 32.228 1.00 16.08 C ANISOU 1650 CE2 TYR A 397 2291 1812 2006 -102 -17 11 C ATOM 1651 CZ TYR A 397 46.177 53.340 31.097 1.00 19.92 C ANISOU 1651 CZ TYR A 397 2756 2299 2515 -162 -9 25 C ATOM 1652 OH TYR A 397 46.848 53.523 29.919 1.00 19.64 O ANISOU 1652 OH TYR A 397 2676 2307 2480 -162 -7 31 O ATOM 0 H TYR A 397 43.149 51.324 36.585 1.00 18.71 H new ATOM 0 HA TYR A 397 42.855 51.178 34.027 1.00 15.02 H new ATOM 0 HB2 TYR A 397 43.311 53.295 34.833 1.00 14.11 H new ATOM 0 HB3 TYR A 397 44.642 52.828 35.499 1.00 14.11 H new ATOM 0 HD1 TYR A 397 43.217 53.488 32.336 1.00 13.53 H new ATOM 0 HD2 TYR A 397 46.629 52.528 34.167 1.00 16.89 H new ATOM 0 HE1 TYR A 397 44.367 53.770 30.352 1.00 14.05 H new ATOM 0 HE2 TYR A 397 47.768 52.791 32.196 1.00 16.08 H new ATOM 0 HH TYR A 397 47.643 53.267 30.007 1.00 19.64 H new ATOM 1662 N SER A 398 45.615 49.956 35.128 1.00 14.94 N ANISOU 1662 N SER A 398 2397 1518 1763 -9 9 -21 N ATOM 1663 CA SER A 398 46.846 49.267 34.763 1.00 22.13 C ANISOU 1663 CA SER A 398 3311 2461 2637 57 12 -28 C ATOM 1664 C SER A 398 46.585 47.919 34.071 1.00 24.41 C ANISOU 1664 C SER A 398 3677 2718 2881 75 39 -30 C ATOM 1665 O SER A 398 47.463 47.381 33.395 1.00 27.88 O ANISOU 1665 O SER A 398 4116 3185 3294 116 46 -33 O ATOM 1666 CB SER A 398 47.735 49.070 36.006 1.00 24.98 C ANISOU 1666 CB SER A 398 3677 2833 2981 121 -2 -40 C ATOM 1667 OG SER A 398 47.152 48.126 36.884 1.00 29.77 O ANISOU 1667 OG SER A 398 4366 3386 3558 142 7 -49 O ATOM 0 H SER A 398 45.515 50.090 35.971 1.00 14.94 H new ATOM 0 HA SER A 398 47.308 49.829 34.122 1.00 22.13 H new ATOM 0 HB2 SER A 398 48.616 48.768 35.736 1.00 24.98 H new ATOM 0 HB3 SER A 398 47.853 49.917 36.464 1.00 24.98 H new ATOM 0 HG SER A 398 46.346 48.324 37.013 1.00 29.77 H new ATOM 1673 N ARG A 399 45.369 47.397 34.189 1.00 20.35 N ANISOU 1673 N ARG A 399 3227 2147 2359 43 54 -30 N ATOM 1674 CA ARG A 399 45.027 46.138 33.539 1.00 23.06 C ANISOU 1674 CA ARG A 399 3645 2456 2659 56 80 -32 C ATOM 1675 C ARG A 399 44.903 46.321 32.030 1.00 20.36 C ANISOU 1675 C ARG A 399 3275 2134 2326 17 91 -21 C ATOM 1676 O ARG A 399 44.984 45.359 31.300 1.00 20.06 O ANISOU 1676 O ARG A 399 3284 2086 2253 36 111 -23 O ATOM 1677 CB ARG A 399 43.727 45.562 34.103 1.00 28.22 C ANISOU 1677 CB ARG A 399 4375 3044 3304 30 93 -34 C ATOM 1678 CG ARG A 399 42.477 46.204 33.537 1.00 34.41 C ANISOU 1678 CG ARG A 399 5145 3806 4123 -52 97 -20 C ATOM 0 H ARG A 399 44.730 47.755 34.639 1.00 20.35 H new ATOM 0 HA ARG A 399 45.745 45.512 33.719 1.00 23.06 H new ATOM 0 HB2 ARG A 399 43.701 44.609 33.923 1.00 28.22 H new ATOM 0 HB3 ARG A 399 43.727 45.669 35.067 1.00 28.22 H new ATOM 1685 N PHE A 400 44.708 47.560 31.577 1.00 19.47 N ANISOU 1685 N PHE A 400 3087 2049 2260 -38 78 -9 N ATOM 1686 CA PHE A 400 44.560 47.843 30.145 1.00 19.22 C ANISOU 1686 CA PHE A 400 3023 2038 2240 -80 87 3 C ATOM 1687 C PHE A 400 45.896 47.887 29.390 1.00 18.33 C ANISOU 1687 C PHE A 400 2864 1983 2117 -40 84 2 C ATOM 1688 O PHE A 400 46.005 47.445 28.237 1.00 19.78 O ANISOU 1688 O PHE A 400 3056 2175 2283 -45 100 6 O ATOM 1689 CB PHE A 400 43.829 49.159 29.956 1.00 20.77 C ANISOU 1689 CB PHE A 400 3158 2243 2492 -154 74 17 C ATOM 1690 CG PHE A 400 42.339 49.076 30.190 1.00 22.48 C ANISOU 1690 CG PHE A 400 3420 2402 2720 -209 84 23 C ATOM 1691 CD1 PHE A 400 41.491 48.647 29.180 1.00 24.95 C ANISOU 1691 CD1 PHE A 400 3766 2690 3024 -251 103 32 C ATOM 1692 CD2 PHE A 400 41.788 49.492 31.388 1.00 22.04 C ANISOU 1692 CD2 PHE A 400 3369 2320 2684 -221 73 20 C ATOM 1693 CE1 PHE A 400 40.124 48.585 29.375 1.00 28.03 C ANISOU 1693 CE1 PHE A 400 4196 3028 3425 -303 112 38 C ATOM 1694 CE2 PHE A 400 40.403 49.436 31.594 1.00 24.07 C ANISOU 1694 CE2 PHE A 400 3668 2524 2954 -273 81 26 C ATOM 1695 CZ PHE A 400 39.580 48.982 30.586 1.00 27.75 C ANISOU 1695 CZ PHE A 400 4167 2965 3411 -313 101 35 C ATOM 0 H PHE A 400 44.658 48.254 32.083 1.00 19.47 H new ATOM 0 HA PHE A 400 44.049 47.109 29.770 1.00 19.22 H new ATOM 0 HB2 PHE A 400 44.206 49.817 30.561 1.00 20.77 H new ATOM 0 HB3 PHE A 400 43.988 49.479 29.054 1.00 20.77 H new ATOM 0 HD1 PHE A 400 41.848 48.397 28.358 1.00 24.95 H new ATOM 0 HD2 PHE A 400 42.342 49.812 32.063 1.00 22.04 H new ATOM 0 HE1 PHE A 400 39.570 48.277 28.694 1.00 28.03 H new ATOM 0 HE2 PHE A 400 40.041 49.704 32.408 1.00 24.07 H new ATOM 0 HZ PHE A 400 38.660 48.942 30.718 1.00 27.75 H new ATOM 1705 N GLU A 401 46.922 48.413 30.042 1.00 15.29 N ANISOU 1705 N GLU A 401 2429 1638 1742 -1 64 -3 N ATOM 1706 CA GLU A 401 48.169 48.719 29.356 1.00 17.23 C ANISOU 1706 CA GLU A 401 2616 1944 1988 29 57 -3 C ATOM 1707 C GLU A 401 49.255 47.697 29.643 1.00 20.24 C ANISOU 1707 C GLU A 401 3033 2335 2324 111 63 -15 C ATOM 1708 O GLU A 401 49.503 47.350 30.796 1.00 20.70 O ANISOU 1708 O GLU A 401 3120 2378 2366 154 56 -25 O ATOM 1709 CB GLU A 401 48.629 50.131 29.766 1.00 17.27 C ANISOU 1709 CB GLU A 401 2530 1993 2040 13 30 2 C ATOM 1710 CG GLU A 401 49.759 50.635 28.934 1.00 17.66 C ANISOU 1710 CG GLU A 401 2508 2104 2097 28 22 5 C ATOM 1711 CD GLU A 401 50.102 52.118 29.162 1.00 18.37 C ANISOU 1711 CD GLU A 401 2504 2238 2237 1 -4 12 C ATOM 1712 OE1 GLU A 401 49.466 52.797 29.984 1.00 17.46 O ANISOU 1712 OE1 GLU A 401 2376 2105 2152 -31 -16 13 O ATOM 1713 OE2 GLU A 401 51.056 52.593 28.515 1.00 18.68 O ANISOU 1713 OE2 GLU A 401 2481 2330 2285 14 -12 15 O ATOM 0 H GLU A 401 46.918 48.601 30.881 1.00 15.29 H new ATOM 0 HA GLU A 401 48.007 48.685 28.400 1.00 17.23 H new ATOM 0 HB2 GLU A 401 47.881 50.744 29.693 1.00 17.27 H new ATOM 0 HB3 GLU A 401 48.898 50.121 30.698 1.00 17.27 H new ATOM 0 HG2 GLU A 401 50.547 50.100 29.119 1.00 17.66 H new ATOM 0 HG3 GLU A 401 49.541 50.505 27.998 1.00 17.66 H new ATOM 1720 N ALA A 402 49.893 47.198 28.592 1.00 16.33 N ANISOU 1720 N ALA A 402 2538 1863 1805 133 76 -15 N ATOM 1721 CA ALA A 402 50.911 46.153 28.721 1.00 17.96 C ANISOU 1721 CA ALA A 402 2780 2077 1966 210 85 -26 C ATOM 1722 C ALA A 402 52.052 46.529 29.666 1.00 19.18 C ANISOU 1722 C ALA A 402 2894 2270 2126 265 63 -32 C ATOM 1723 O ALA A 402 52.509 47.673 29.673 1.00 19.26 O ANISOU 1723 O ALA A 402 2823 2323 2171 248 42 -27 O ATOM 1724 CB ALA A 402 51.466 45.803 27.360 1.00 22.39 C ANISOU 1724 CB ALA A 402 3330 2665 2510 218 101 -22 C ATOM 0 H ALA A 402 49.751 47.453 27.783 1.00 16.33 H new ATOM 0 HA ALA A 402 50.468 45.384 29.113 1.00 17.96 H new ATOM 0 HB1 ALA A 402 52.139 45.111 27.453 1.00 22.39 H new ATOM 0 HB2 ALA A 402 50.749 45.482 26.791 1.00 22.39 H new ATOM 0 HB3 ALA A 402 51.866 46.591 26.961 1.00 22.39 H new ATOM 1730 N ASN A 403 52.462 45.541 30.475 1.00 18.26 N ANISOU 1730 N ASN A 403 2834 2133 1971 328 68 -43 N ATOM 1731 CA ASN A 403 53.599 45.644 31.375 1.00 21.11 C ANISOU 1731 CA ASN A 403 3169 2526 2326 389 50 -50 C ATOM 1732 C ASN A 403 53.492 46.852 32.326 1.00 21.52 C ANISOU 1732 C ASN A 403 3164 2592 2419 364 23 -48 C ATOM 1733 O ASN A 403 54.502 47.502 32.652 1.00 21.42 O ANISOU 1733 O ASN A 403 3090 2628 2422 391 2 -48 O ATOM 1734 CB ASN A 403 54.892 45.712 30.561 1.00 25.27 C ANISOU 1734 CB ASN A 403 3646 3109 2846 426 49 -49 C ATOM 1735 CG ASN A 403 55.161 44.436 29.768 1.00 31.07 C ANISOU 1735 CG ASN A 403 4439 3830 3535 462 77 -52 C ATOM 1736 OD1 ASN A 403 54.998 43.310 30.269 1.00 29.96 O ANISOU 1736 OD1 ASN A 403 4376 3650 3358 500 91 -60 O ATOM 1737 ND2 ASN A 403 55.608 44.603 28.534 1.00 37.95 N ANISOU 1737 ND2 ASN A 403 5273 4735 4410 453 84 -47 N ATOM 0 H ASN A 403 52.070 44.776 30.509 1.00 18.26 H new ATOM 0 HA ASN A 403 53.605 44.851 31.934 1.00 21.11 H new ATOM 0 HB2 ASN A 403 54.845 46.464 29.950 1.00 25.27 H new ATOM 0 HB3 ASN A 403 55.637 45.879 31.159 1.00 25.27 H new ATOM 0 HD21 ASN A 403 55.797 43.919 28.049 1.00 37.95 H new ATOM 0 HD22 ASN A 403 55.710 45.396 28.217 1.00 37.95 H new ATOM 1744 N ASER A 404 52.284 47.130 32.788 0.72 21.81 N ANISOU 1744 N ASER A 404 3224 2588 2475 313 22 -46 N ATOM 1745 N BSER A 404 52.265 47.157 32.749 0.28 22.23 N ANISOU 1745 N BSER A 404 3275 2641 2529 311 22 -45 N ATOM 1746 CA ASER A 404 52.086 48.273 33.665 0.72 19.59 C ANISOU 1746 CA ASER A 404 2892 2316 2234 284 -2 -44 C ATOM 1747 CA BSER A 404 52.008 48.299 33.631 0.28 20.06 C ANISOU 1747 CA BSER A 404 2952 2374 2296 280 -2 -43 C ATOM 1748 C ASER A 404 51.682 47.792 35.035 0.72 20.68 C ANISOU 1748 C ASER A 404 3088 2413 2358 307 -5 -53 C ATOM 1749 C BSER A 404 51.604 47.835 35.021 0.28 20.14 C ANISOU 1749 C BSER A 404 3019 2343 2292 302 -5 -52 C ATOM 1750 O ASER A 404 51.214 46.663 35.210 0.72 20.83 O ANISOU 1750 O ASER A 404 3189 2386 2342 326 13 -59 O ATOM 1751 O BSER A 404 50.971 46.793 35.181 0.28 21.14 O ANISOU 1751 O BSER A 404 3225 2419 2386 311 13 -57 O ATOM 1752 CB ASER A 404 51.070 49.233 33.071 0.72 18.30 C ANISOU 1752 CB ASER A 404 2692 2147 2114 202 -3 -32 C ATOM 1753 CB BSER A 404 50.917 49.206 33.057 0.28 18.28 C ANISOU 1753 CB BSER A 404 2695 2138 2112 196 -2 -32 C ATOM 1754 OG ASER A 404 51.543 49.673 31.805 0.72 20.70 O ANISOU 1754 OG ASER A 404 2940 2493 2431 185 -2 -24 O ATOM 1755 OG BSER A 404 49.629 48.628 33.204 0.28 16.15 O ANISOU 1755 OG BSER A 404 2495 1807 1832 164 14 -32 O ATOM 0 H ASER A 404 51.574 46.678 32.610 0.72 22.23 H new ATOM 0 H BSER A 404 51.561 46.711 32.535 0.28 22.23 H new ATOM 0 HA ASER A 404 52.918 48.764 33.753 0.72 20.06 H new ATOM 0 HA BSER A 404 52.833 48.804 33.695 0.28 20.06 H new ATOM 0 HB2ASER A 404 50.210 48.795 32.975 0.72 18.28 H new ATOM 0 HB2BSER A 404 50.940 50.066 33.506 0.28 18.28 H new ATOM 0 HB3ASER A 404 50.938 49.991 33.662 0.72 18.28 H new ATOM 0 HB3BSER A 404 51.093 49.371 32.118 0.28 18.28 H new ATOM 0 HG ASER A 404 51.176 49.225 31.197 0.72 16.15 H new ATOM 0 HG BSER A 404 49.423 48.220 32.499 0.28 16.15 H new ATOM 1766 N ARG A 405 51.967 48.628 36.025 1.00 15.78 N ANISOU 1766 N ARG A 405 2424 1810 1762 309 -29 -55 N ATOM 1767 CA ARG A 405 51.723 48.282 37.392 1.00 15.81 C ANISOU 1767 CA ARG A 405 2473 1781 1754 332 -35 -63 C ATOM 1768 C ARG A 405 51.661 49.600 38.159 1.00 15.57 C ANISOU 1768 C ARG A 405 2378 1769 1767 300 -60 -61 C ATOM 1769 O ARG A 405 51.941 50.657 37.613 1.00 15.42 O ANISOU 1769 O ARG A 405 2283 1793 1785 269 -71 -54 O ATOM 1770 CB ARG A 405 52.820 47.378 37.951 1.00 16.62 C ANISOU 1770 CB ARG A 405 2605 1895 1814 415 -35 -73 C ATOM 1771 CG ARG A 405 54.198 47.963 37.788 1.00 17.20 C ANISOU 1771 CG ARG A 405 2604 2034 1897 450 -53 -72 C ATOM 1772 CD ARG A 405 55.324 46.991 38.163 1.00 18.34 C ANISOU 1772 CD ARG A 405 2778 2192 1998 533 -51 -79 C ATOM 1773 NE ARG A 405 56.626 47.586 37.828 1.00 18.88 N ANISOU 1773 NE ARG A 405 2771 2327 2077 562 -67 -76 N ATOM 1774 CZ ARG A 405 57.312 48.423 38.603 1.00 18.90 C ANISOU 1774 CZ ARG A 405 2716 2365 2100 575 -93 -77 C ATOM 1775 NH1 ARG A 405 56.859 48.767 39.794 1.00 18.43 N ANISOU 1775 NH1 ARG A 405 2666 2285 2053 564 -106 -81 N ATOM 1776 NH2 ARG A 405 58.483 48.898 38.181 1.00 20.72 N ANISOU 1776 NH2 ARG A 405 2879 2654 2337 601 -104 -74 N ATOM 0 H AARG A 405 52.307 49.410 35.911 0.72 15.78 H new ATOM 0 H BARG A 405 52.363 49.384 35.918 0.28 15.78 H new ATOM 0 HA ARG A 405 50.896 47.781 37.477 1.00 15.81 H new ATOM 0 HB2 ARG A 405 52.651 47.216 38.892 1.00 16.62 H new ATOM 0 HB3 ARG A 405 52.783 46.518 37.504 1.00 16.62 H new ATOM 0 HG2 ARG A 405 54.316 48.243 36.867 1.00 17.20 H new ATOM 0 HG3 ARG A 405 54.271 48.759 38.338 1.00 17.20 H new ATOM 0 HD2 ARG A 405 55.286 46.788 39.111 1.00 18.34 H new ATOM 0 HD3 ARG A 405 55.210 46.152 37.689 1.00 18.34 H new ATOM 0 HE ARG A 405 56.973 47.376 37.069 1.00 18.88 H new ATOM 0 HH11 ARG A 405 56.112 48.450 40.078 1.00 18.43 H new ATOM 0 HH12 ARG A 405 57.311 49.309 40.286 1.00 18.43 H new ATOM 0 HH21 ARG A 405 58.791 48.663 37.413 1.00 20.72 H new ATOM 0 HH22 ARG A 405 58.931 49.439 38.677 1.00 20.72 H new ATOM 1790 N VAL A 406 51.281 49.514 39.402 1.00 16.03 N ANISOU 1790 N VAL A 406 2470 1798 1824 307 -67 -68 N ATOM 1791 CA VAL A 406 51.190 50.690 40.255 1.00 16.00 C ANISOU 1791 CA VAL A 406 2412 1807 1859 279 -89 -67 C ATOM 1792 C VAL A 406 52.271 50.630 41.334 1.00 19.75 C ANISOU 1792 C VAL A 406 2877 2309 2320 341 -108 -76 C ATOM 1793 O VAL A 406 52.373 49.579 41.973 1.00 18.38 O ANISOU 1793 O VAL A 406 2769 2107 2107 388 -101 -84 O ATOM 1794 CB VAL A 406 49.818 50.684 40.952 1.00 15.90 C ANISOU 1794 CB VAL A 406 2447 1735 1858 235 -84 -68 C ATOM 1795 CG1 VAL A 406 49.633 51.992 41.613 1.00 14.76 C ANISOU 1795 CG1 VAL A 406 2243 1607 1760 195 -104 -66 C ATOM 1796 CG2 VAL A 406 48.736 50.575 39.913 1.00 19.20 C ANISOU 1796 CG2 VAL A 406 2886 2124 2285 178 -64 -60 C ATOM 0 H VAL A 406 51.065 48.777 39.789 1.00 16.03 H new ATOM 0 HA VAL A 406 51.304 51.489 39.717 1.00 16.00 H new ATOM 0 HB VAL A 406 49.776 49.946 41.581 1.00 15.90 H new ATOM 0 HG11 VAL A 406 48.772 52.010 42.060 1.00 14.76 H new ATOM 0 HG12 VAL A 406 50.338 52.128 42.265 1.00 14.76 H new ATOM 0 HG13 VAL A 406 49.667 52.698 40.949 1.00 14.76 H new ATOM 0 HG21 VAL A 406 47.869 50.571 40.348 1.00 19.20 H new ATOM 0 HG22 VAL A 406 48.790 51.331 39.308 1.00 19.20 H new ATOM 0 HG23 VAL A 406 48.850 49.752 39.412 1.00 19.20 H new ATOM 1806 N ASP A 407 53.017 51.689 41.527 1.00 21.20 N ANISOU 1806 N ASP A 407 2982 2542 2532 339 -130 -74 N ATOM 1807 CA ASP A 407 54.046 51.680 42.584 1.00 25.36 C ANISOU 1807 CA ASP A 407 3495 3094 3045 396 -148 -81 C ATOM 1808 C ASP A 407 53.495 52.201 43.947 1.00 27.82 C ANISOU 1808 C ASP A 407 3813 3382 3375 376 -162 -86 C ATOM 1809 O ASP A 407 52.337 52.383 44.073 1.00 19.66 O ANISOU 1809 O ASP A 407 2804 2308 2359 325 -155 -85 O ATOM 1810 CB ASP A 407 55.269 52.493 42.175 1.00 22.42 C ANISOU 1810 CB ASP A 407 3037 2792 2691 412 -166 -77 C ATOM 1811 CG ASP A 407 55.026 53.933 42.180 1.00 22.11 C ANISOU 1811 CG ASP A 407 2923 2776 2703 355 -182 -71 C ATOM 1812 OD1 ASP A 407 55.906 54.631 41.582 1.00 22.16 O ANISOU 1812 OD1 ASP A 407 2856 2838 2726 359 -194 -66 O ATOM 1813 OD2 ASP A 407 54.078 54.519 42.764 1.00 21.81 O ANISOU 1813 OD2 ASP A 407 2887 2709 2692 307 -186 -71 O ATOM 0 H ASP A 407 52.960 52.419 41.076 1.00 21.20 H new ATOM 0 HA ASP A 407 54.310 50.754 42.702 1.00 25.36 H new ATOM 0 HB2 ASP A 407 56.001 52.292 42.778 1.00 22.42 H new ATOM 0 HB3 ASP A 407 55.550 52.221 41.287 1.00 22.42 H new ATOM 1818 N ASER A 408 54.384 52.356 44.962 0.53 33.42 N ANISOU 1818 N ASER A 408 4503 4116 4077 420 -182 -92 N ATOM 1819 N BSER A 408 54.369 52.358 44.971 0.47 33.40 N ANISOU 1819 N BSER A 408 4502 4114 4075 419 -182 -92 N ATOM 1820 CA ASER A 408 54.001 52.719 46.327 0.53 34.24 C ANISOU 1820 CA ASER A 408 4618 4199 4191 410 -195 -99 C ATOM 1821 CA BSER A 408 53.923 52.698 46.325 0.47 34.25 C ANISOU 1821 CA BSER A 408 4623 4197 4193 408 -194 -99 C ATOM 1822 C ASER A 408 53.309 54.030 46.498 0.53 32.04 C ANISOU 1822 C ASER A 408 4289 3922 3965 342 -205 -94 C ATOM 1823 C BSER A 408 53.261 54.032 46.486 0.47 32.00 C ANISOU 1823 C BSER A 408 4284 3914 3959 340 -205 -94 C ATOM 1824 O ASER A 408 52.514 54.243 47.451 0.53 30.73 O ANISOU 1824 O ASER A 408 4148 3719 3810 316 -208 -98 O ATOM 1825 O BSER A 408 52.448 54.265 47.422 0.47 30.70 O ANISOU 1825 O BSER A 408 4144 3714 3808 312 -207 -98 O ATOM 1826 CB ASER A 408 55.247 52.706 47.215 0.53 37.92 C ANISOU 1826 CB ASER A 408 5064 4703 4641 471 -215 -104 C ATOM 1827 CB BSER A 408 55.116 52.625 47.261 0.47 37.89 C ANISOU 1827 CB BSER A 408 5069 4692 4636 469 -213 -105 C ATOM 1828 OG ASER A 408 56.251 53.626 46.787 0.53 39.00 O ANISOU 1828 OG ASER A 408 5114 4904 4801 474 -232 -99 O ATOM 1829 OG BSER A 408 55.950 51.530 46.911 0.47 40.44 O ANISOU 1829 OG BSER A 408 5424 5025 4915 534 -205 -107 O ATOM 0 H ASER A 408 55.231 52.249 44.861 0.53 33.40 H new ATOM 0 H BSER A 408 55.221 52.270 44.891 0.47 33.40 H new ATOM 0 HA ASER A 408 53.344 52.052 46.582 0.53 34.25 H new ATOM 0 HA BSER A 408 53.234 52.049 46.537 0.47 34.25 H new ATOM 0 HB2ASER A 408 54.990 52.917 48.126 0.53 37.89 H new ATOM 0 HB2BSER A 408 55.621 53.452 47.216 0.47 37.89 H new ATOM 0 HB3ASER A 408 55.620 51.811 47.226 0.53 37.89 H new ATOM 0 HB3BSER A 408 54.811 52.528 48.177 0.47 37.89 H new ATOM 0 HG ASER A 408 56.911 53.582 47.305 0.53 40.44 H new ATOM 0 HG BSER A 408 56.607 51.500 47.434 0.47 40.44 H new ATOM 1839 N SER A 409 53.545 54.952 45.572 1.00 34.93 N ANISOU 1839 N SER A 409 4581 4327 4363 309 -210 -86 N ATOM 1840 CA SER A 409 52.920 56.276 45.654 1.00 34.18 C ANISOU 1840 CA SER A 409 4430 4237 4320 242 -220 -80 C ATOM 1841 C SER A 409 51.629 56.334 44.873 1.00 29.51 C ANISOU 1841 C SER A 409 3858 3606 3747 179 -201 -73 C ATOM 1842 O SER A 409 50.952 57.370 44.804 1.00 27.76 O ANISOU 1842 O SER A 409 3595 3381 3570 118 -205 -66 O ATOM 1843 CB SER A 409 53.874 57.333 45.142 1.00 38.98 C ANISOU 1843 CB SER A 409 4944 4910 4956 237 -237 -75 C ATOM 1844 OG SER A 409 53.950 57.239 43.744 1.00 42.11 O ANISOU 1844 OG SER A 409 5321 5324 5354 226 -225 -66 O ATOM 0 H ASER A 409 54.059 54.837 44.892 0.53 34.93 H new ATOM 0 H BSER A 409 54.083 54.839 44.910 0.47 34.93 H new ATOM 0 HA SER A 409 52.714 56.446 46.586 1.00 34.18 H new ATOM 0 HB2 SER A 409 53.568 58.216 45.403 1.00 38.98 H new ATOM 0 HB3 SER A 409 54.752 57.210 45.535 1.00 38.98 H new ATOM 0 HG SER A 409 54.000 56.431 43.520 1.00 42.11 H new ATOM 1850 N GLY A 410 51.271 55.201 44.279 1.00 27.59 N ANISOU 1850 N GLY A 410 3680 3332 3471 194 -180 -73 N ATOM 1851 CA GLY A 410 50.100 55.148 43.446 1.00 22.70 C ANISOU 1851 CA GLY A 410 3082 2677 2866 138 -162 -65 C ATOM 1852 C GLY A 410 50.367 55.527 42.016 1.00 19.75 C ANISOU 1852 C GLY A 410 2658 2340 2508 116 -157 -54 C ATOM 1853 O GLY A 410 49.436 55.623 41.234 1.00 20.80 O ANISOU 1853 O GLY A 410 2797 2448 2656 65 -143 -46 O ATOM 0 H GLY A 410 51.698 54.458 44.351 1.00 27.59 H new ATOM 0 HA2 GLY A 410 49.733 54.251 43.473 1.00 22.70 H new ATOM 0 HA3 GLY A 410 49.425 55.742 43.810 1.00 22.70 H new ATOM 1857 N ARG A 411 51.637 55.696 41.633 1.00 15.58 N ANISOU 1857 N ARG A 411 2080 1868 1973 156 -168 -54 N ATOM 1858 CA ARG A 411 51.933 56.059 40.250 1.00 14.51 C ANISOU 1858 CA ARG A 411 1894 1767 1851 136 -163 -44 C ATOM 1859 C ARG A 411 51.902 54.847 39.325 1.00 16.29 C ANISOU 1859 C ARG A 411 2176 1975 2037 160 -141 -44 C ATOM 1860 O ARG A 411 52.320 53.745 39.693 1.00 16.94 O ANISOU 1860 O ARG A 411 2317 2045 2076 218 -134 -52 O ATOM 1861 CB ARG A 411 53.318 56.714 40.131 1.00 22.85 C ANISOU 1861 CB ARG A 411 2874 2892 2917 168 -183 -44 C ATOM 1862 CG ARG A 411 53.338 58.239 40.154 1.00 31.16 C ANISOU 1862 CG ARG A 411 3839 3979 4022 120 -201 -38 C ATOM 1863 CD ARG A 411 53.640 58.751 41.492 1.00 42.12 C ANISOU 1863 CD ARG A 411 5210 5373 5420 134 -221 -45 C ATOM 1864 NE ARG A 411 53.657 60.206 41.558 1.00 50.32 N ANISOU 1864 NE ARG A 411 6167 6444 6510 88 -237 -39 N ATOM 1865 CZ ARG A 411 53.420 60.897 42.670 1.00 52.62 C ANISOU 1865 CZ ARG A 411 6443 6727 6823 71 -251 -43 C ATOM 1866 NH1 ARG A 411 53.149 60.264 43.794 1.00 49.08 N ANISOU 1866 NH1 ARG A 411 6055 6240 6351 96 -250 -53 N ATOM 1867 NH2 ARG A 411 53.439 62.219 42.659 1.00 55.93 N ANISOU 1867 NH2 ARG A 411 6787 7175 7289 28 -265 -38 N ATOM 0 H ARG A 411 52.322 55.607 42.145 1.00 15.58 H new ATOM 0 HA ARG A 411 51.243 56.686 39.982 1.00 14.51 H new ATOM 0 HB2 ARG A 411 53.873 56.390 40.857 1.00 22.85 H new ATOM 0 HB3 ARG A 411 53.728 56.415 39.304 1.00 22.85 H new ATOM 0 HG2 ARG A 411 54.000 58.565 39.524 1.00 31.16 H new ATOM 0 HG3 ARG A 411 52.478 58.580 39.862 1.00 31.16 H new ATOM 0 HD2 ARG A 411 52.981 58.412 42.118 1.00 42.12 H new ATOM 0 HD3 ARG A 411 54.503 58.410 41.776 1.00 42.12 H new ATOM 0 HE ARG A 411 53.830 60.643 40.838 1.00 50.32 H new ATOM 0 HH11 ARG A 411 53.125 59.404 43.809 1.00 49.08 H new ATOM 0 HH12 ARG A 411 52.996 60.711 44.513 1.00 49.08 H new ATOM 0 HH21 ARG A 411 53.606 62.641 41.928 1.00 55.93 H new ATOM 0 HH22 ARG A 411 53.285 62.657 43.383 1.00 55.93 H new ATOM 1881 N ILE A 412 51.396 55.056 38.114 1.00 14.52 N ANISOU 1881 N ILE A 412 1936 1753 1829 115 -129 -34 N ATOM 1882 CA ILE A 412 51.391 53.996 37.096 1.00 15.64 C ANISOU 1882 CA ILE A 412 2124 1883 1936 132 -107 -32 C ATOM 1883 C ILE A 412 52.773 53.902 36.430 1.00 20.04 C ANISOU 1883 C ILE A 412 2641 2497 2478 180 -111 -33 C ATOM 1884 O ILE A 412 53.299 54.887 35.924 1.00 22.88 O ANISOU 1884 O ILE A 412 2922 2905 2868 162 -124 -26 O ATOM 1885 CB ILE A 412 50.300 54.253 36.068 1.00 16.48 C ANISOU 1885 CB ILE A 412 2230 1968 2065 63 -92 -21 C ATOM 1886 CG1 ILE A 412 48.939 54.139 36.730 1.00 14.49 C ANISOU 1886 CG1 ILE A 412 2029 1654 1820 23 -85 -21 C ATOM 1887 CG2 ILE A 412 50.416 53.263 34.874 1.00 18.18 C ANISOU 1887 CG2 ILE A 412 2482 2179 2245 80 -70 -19 C ATOM 1888 CD1 ILE A 412 47.918 54.964 36.051 1.00 14.83 C ANISOU 1888 CD1 ILE A 412 2042 1688 1905 -55 -81 -8 C ATOM 0 H ILE A 412 51.050 55.800 37.857 1.00 14.52 H new ATOM 0 HA ILE A 412 51.201 53.146 37.523 1.00 15.64 H new ATOM 0 HB ILE A 412 50.407 55.151 35.717 1.00 16.48 H new ATOM 0 HG12 ILE A 412 48.657 53.211 36.728 1.00 14.49 H new ATOM 0 HG13 ILE A 412 49.009 54.412 37.658 1.00 14.49 H new ATOM 0 HG21 ILE A 412 49.712 53.445 34.233 1.00 18.18 H new ATOM 0 HG22 ILE A 412 51.279 53.372 34.445 1.00 18.18 H new ATOM 0 HG23 ILE A 412 50.330 52.353 35.198 1.00 18.18 H new ATOM 0 HD11 ILE A 412 47.066 54.863 36.504 1.00 14.83 H new ATOM 0 HD12 ILE A 412 48.187 55.896 36.074 1.00 14.83 H new ATOM 0 HD13 ILE A 412 47.830 54.676 35.129 1.00 14.83 H new ATOM 1900 N VAL A 413 53.355 52.709 36.463 1.00 15.36 N ANISOU 1900 N VAL A 413 2101 1898 1837 243 -100 -40 N ATOM 1901 CA VAL A 413 54.699 52.474 35.947 1.00 16.29 C ANISOU 1901 CA VAL A 413 2189 2065 1936 296 -103 -42 C ATOM 1902 C VAL A 413 54.553 51.451 34.846 1.00 16.71 C ANISOU 1902 C VAL A 413 2290 2102 1957 305 -78 -40 C ATOM 1903 O VAL A 413 53.847 50.449 35.025 1.00 16.73 O ANISOU 1903 O VAL A 413 2373 2053 1931 311 -60 -44 O ATOM 1904 CB VAL A 413 55.663 51.953 37.071 1.00 17.72 C ANISOU 1904 CB VAL A 413 2389 2257 2088 370 -114 -52 C ATOM 1905 CG1 VAL A 413 56.986 51.576 36.505 1.00 27.73 C ANISOU 1905 CG1 VAL A 413 3634 3571 3333 427 -114 -53 C ATOM 1906 CG2 VAL A 413 55.828 53.009 38.155 1.00 21.64 C ANISOU 1906 CG2 VAL A 413 2835 2771 2616 359 -140 -54 C ATOM 0 H VAL A 413 52.979 52.007 36.788 1.00 15.36 H new ATOM 0 HA VAL A 413 55.091 53.297 35.616 1.00 16.29 H new ATOM 0 HB VAL A 413 55.269 51.160 37.466 1.00 17.72 H new ATOM 0 HG11 VAL A 413 57.564 51.258 37.216 1.00 27.73 H new ATOM 0 HG12 VAL A 413 56.868 50.874 35.846 1.00 27.73 H new ATOM 0 HG13 VAL A 413 57.390 52.350 36.083 1.00 27.73 H new ATOM 0 HG21 VAL A 413 56.425 52.676 38.843 1.00 21.64 H new ATOM 0 HG22 VAL A 413 56.201 53.816 37.767 1.00 21.64 H new ATOM 0 HG23 VAL A 413 54.963 53.209 38.547 1.00 21.64 H new ATOM 1916 N THR A 414 55.247 51.676 33.747 1.00 19.84 N ANISOU 1916 N THR A 414 2639 2541 2357 308 -76 -35 N ATOM 1917 CA THR A 414 55.253 50.728 32.641 1.00 23.20 C ANISOU 1917 CA THR A 414 3106 2958 2752 320 -52 -33 C ATOM 1918 C THR A 414 56.670 50.270 32.443 1.00 25.29 C ANISOU 1918 C THR A 414 3355 3264 2990 389 -53 -38 C ATOM 1919 O THR A 414 57.576 51.081 32.298 1.00 28.25 O ANISOU 1919 O THR A 414 3656 3693 3385 398 -71 -35 O ATOM 1920 CB THR A 414 54.697 51.373 31.358 1.00 29.07 C ANISOU 1920 CB THR A 414 3810 3712 3524 254 -45 -22 C ATOM 1921 OG1 THR A 414 53.356 51.821 31.612 1.00 27.84 O ANISOU 1921 OG1 THR A 414 3667 3516 3395 189 -44 -17 O ATOM 1922 CG2 THR A 414 54.683 50.390 30.223 1.00 30.51 C ANISOU 1922 CG2 THR A 414 4036 3884 3674 264 -20 -21 C ATOM 0 H THR A 414 55.727 52.378 33.617 1.00 19.84 H new ATOM 0 HA THR A 414 54.681 49.971 32.845 1.00 23.20 H new ATOM 0 HB THR A 414 55.266 52.118 31.109 1.00 29.07 H new ATOM 0 HG1 THR A 414 52.846 51.157 31.676 1.00 27.84 H new ATOM 0 HG21 THR A 414 54.330 50.819 29.428 1.00 30.51 H new ATOM 0 HG22 THR A 414 55.587 50.083 30.050 1.00 30.51 H new ATOM 0 HG23 THR A 414 54.124 49.633 30.457 1.00 30.51 H new ATOM 1930 N ASP A 415 56.874 48.965 32.450 1.00 19.64 N ANISOU 1930 N ASP A 415 2711 2524 2228 439 -35 -45 N ATOM 1931 CA ASP A 415 58.212 48.428 32.310 1.00 27.91 C ANISOU 1931 CA ASP A 415 3750 3608 3248 509 -34 -49 C ATOM 1932 C ASP A 415 58.578 48.150 30.864 1.00 43.96 C ANISOU 1932 C ASP A 415 5770 5662 5269 508 -17 -44 C ATOM 1933 O ASP A 415 57.751 48.303 29.971 1.00 39.80 O ANISOU 1933 O ASP A 415 5247 5121 4755 453 -5 -38 O ATOM 1934 CB ASP A 415 58.344 47.142 33.117 1.00 26.74 C ANISOU 1934 CB ASP A 415 3683 3423 3053 570 -23 -59 C ATOM 1935 CG ASP A 415 58.106 47.366 34.583 1.00 24.54 C ANISOU 1935 CG ASP A 415 3416 3126 2782 578 -41 -64 C ATOM 1936 OD1 ASP A 415 58.796 48.233 35.167 1.00 22.16 O ANISOU 1936 OD1 ASP A 415 3052 2864 2502 588 -65 -63 O ATOM 1937 OD2 ASP A 415 57.200 46.718 35.139 1.00 22.67 O ANISOU 1937 OD2 ASP A 415 3250 2835 2529 570 -30 -68 O ATOM 1938 OXT ASP A 415 59.703 47.748 30.575 1.00 59.49 O ANISOU 1938 OXT ASP A 415 7725 7662 7215 563 -15 -47 O ATOM 0 H ASP A 415 56.254 48.375 32.534 1.00 19.64 H new ATOM 0 HA ASP A 415 58.824 49.102 32.646 1.00 27.91 H new ATOM 0 HB2 ASP A 415 57.711 46.487 32.784 1.00 26.74 H new ATOM 0 HB3 ASP A 415 59.231 46.770 32.988 1.00 26.74 H new TER 1943 ASP A 415 ATOM 1944 N LYS B 2 38.923 41.012 23.378 1.00 89.27 N ANISOU 1944 N LYS B 2 12773 10608 10535 -98 451 -710 N ATOM 1945 CA LYS B 2 39.565 41.905 24.333 1.00 86.87 C ANISOU 1945 CA LYS B 2 12419 10296 10293 -68 431 -662 C ATOM 1946 C LYS B 2 38.534 42.735 25.101 1.00 88.17 C ANISOU 1946 C LYS B 2 12534 10453 10513 -127 402 -669 C ATOM 1947 O LYS B 2 38.843 43.285 26.164 1.00 87.72 O ANISOU 1947 O LYS B 2 12454 10371 10506 -114 390 -644 O ATOM 1948 CB LYS B 2 40.552 42.834 23.618 1.00 83.32 C ANISOU 1948 CB LYS B 2 11890 9909 9860 -14 410 -596 C ATOM 0 HA LYS B 2 40.048 41.355 24.970 1.00 86.87 H new ATOM 1950 N ASN B 3 37.313 42.818 24.565 1.00 86.64 N ANISOU 1950 N ASN B 3 12326 10284 10311 -190 393 -702 N ATOM 1951 CA ASN B 3 36.257 43.684 25.109 1.00 83.15 C ANISOU 1951 CA ASN B 3 11829 9847 9920 -249 363 -707 C ATOM 1952 C ASN B 3 36.558 45.168 24.847 1.00 71.14 C ANISOU 1952 C ASN B 3 10194 8386 8450 -232 323 -646 C ATOM 1953 O ASN B 3 35.672 46.019 24.923 1.00 73.51 O ANISOU 1953 O ASN B 3 10433 8709 8788 -280 295 -644 O ATOM 1954 CB ASN B 3 36.082 43.486 26.629 1.00 88.91 C ANISOU 1954 CB ASN B 3 12596 10505 10682 -262 370 -725 C ATOM 1955 CG ASN B 3 36.399 42.071 27.094 1.00 98.38 C ANISOU 1955 CG ASN B 3 13894 11644 11840 -245 408 -758 C ATOM 1956 OD1 ASN B 3 35.600 41.146 26.924 1.00108.96 O ANISOU 1956 OD1 ASN B 3 15242 12993 13167 -277 414 -779 O ATOM 1957 ND2 ASN B 3 37.566 41.907 27.710 1.00 94.67 N ANISOU 1957 ND2 ASN B 3 13448 11145 11379 -185 420 -730 N ATOM 0 H ASN B 3 37.071 42.371 23.871 1.00 86.64 H new ATOM 0 HA ASN B 3 35.439 43.430 24.654 1.00 83.15 H new ATOM 0 HB2 ASN B 3 36.657 44.110 27.098 1.00 88.91 H new ATOM 0 HB3 ASN B 3 35.169 43.703 26.874 1.00 88.91 H new ATOM 0 HD21 ASN B 3 37.790 41.132 28.008 1.00 94.67 H new ATOM 0 HD22 ASN B 3 38.097 42.576 27.810 1.00 94.67 H new ATOM 1964 N TYR B 4 37.809 45.456 24.511 1.00 50.26 N ANISOU 1964 N TYR B 4 7524 5767 5807 -165 322 -595 N ATOM 1965 CA TYR B 4 38.402 46.763 24.772 1.00 38.21 C ANISOU 1965 CA TYR B 4 5905 4272 4339 -135 288 -533 C ATOM 1966 C TYR B 4 38.196 47.746 23.643 1.00 32.20 C ANISOU 1966 C TYR B 4 5054 3591 3589 -143 258 -500 C ATOM 1967 O TYR B 4 38.197 47.375 22.457 1.00 33.69 O ANISOU 1967 O TYR B 4 5251 3818 3730 -138 268 -508 O ATOM 1968 CB TYR B 4 39.887 46.591 25.056 1.00 35.52 C ANISOU 1968 CB TYR B 4 5583 3916 3998 -57 301 -492 C ATOM 1969 CG TYR B 4 40.796 47.647 24.478 1.00 33.12 C ANISOU 1969 CG TYR B 4 5191 3672 3721 -8 275 -424 C ATOM 1970 CD1 TYR B 4 41.294 47.530 23.183 1.00 33.94 C ANISOU 1970 CD1 TYR B 4 5282 3829 3785 23 281 -406 C ATOM 1971 CD2 TYR B 4 41.202 48.729 25.247 1.00 29.08 C ANISOU 1971 CD2 TYR B 4 4613 3162 3273 10 246 -377 C ATOM 1972 CE1 TYR B 4 42.149 48.489 22.655 1.00 31.88 C ANISOU 1972 CE1 TYR B 4 4941 3622 3548 70 258 -342 C ATOM 1973 CE2 TYR B 4 42.058 49.681 24.741 1.00 28.71 C ANISOU 1973 CE2 TYR B 4 4488 3169 3253 56 223 -314 C ATOM 1974 CZ TYR B 4 42.537 49.550 23.449 1.00 28.84 C ANISOU 1974 CZ TYR B 4 4491 3238 3228 86 229 -296 C ATOM 1975 OH TYR B 4 43.373 50.514 22.973 1.00 24.08 O ANISOU 1975 OH TYR B 4 3809 2688 2653 130 205 -232 O ATOM 0 H TYR B 4 38.339 44.900 24.125 1.00 50.26 H new ATOM 0 HA TYR B 4 37.950 47.137 25.544 1.00 38.21 H new ATOM 0 HB2 TYR B 4 40.014 46.571 26.017 1.00 35.52 H new ATOM 0 HB3 TYR B 4 40.166 45.727 24.714 1.00 35.52 H new ATOM 0 HD1 TYR B 4 41.050 46.798 22.663 1.00 33.94 H new ATOM 0 HD2 TYR B 4 40.890 48.812 26.119 1.00 29.08 H new ATOM 0 HE1 TYR B 4 42.456 48.418 21.780 1.00 31.88 H new ATOM 0 HE2 TYR B 4 42.313 50.407 25.264 1.00 28.71 H new ATOM 0 HH TYR B 4 44.025 50.153 22.585 1.00 24.08 H new ATOM 1985 N LYS B 5 38.040 49.015 24.020 1.00 29.99 N ANISOU 1985 N LYS B 5 4688 3337 3372 -153 222 -463 N ATOM 1986 CA LYS B 5 37.792 50.068 23.047 1.00 30.75 C ANISOU 1986 CA LYS B 5 4691 3507 3485 -163 190 -430 C ATOM 1987 C LYS B 5 38.443 51.347 23.520 1.00 23.75 C ANISOU 1987 C LYS B 5 3718 2642 2663 -131 157 -367 C ATOM 1988 O LYS B 5 38.355 51.689 24.700 1.00 19.79 O ANISOU 1988 O LYS B 5 3212 2100 2206 -140 147 -363 O ATOM 1989 CB LYS B 5 36.284 50.244 22.857 1.00 42.63 C ANISOU 1989 CB LYS B 5 6179 5024 4993 -242 178 -471 C ATOM 1990 CG LYS B 5 35.853 50.515 21.435 1.00 60.30 C ANISOU 1990 CG LYS B 5 8374 7332 7205 -260 167 -469 C ATOM 1991 CD LYS B 5 36.301 51.884 20.974 1.00 64.41 C ANISOU 1991 CD LYS B 5 8787 7917 7769 -236 130 -405 C ATOM 1992 CE LYS B 5 35.536 52.328 19.741 1.00 60.01 C ANISOU 1992 CE LYS B 5 8177 7427 7198 -272 113 -408 C ATOM 1993 NZ LYS B 5 36.207 51.878 18.495 1.00 58.83 N ANISOU 1993 NZ LYS B 5 8040 7318 6996 -232 129 -396 N ATOM 0 H LYS B 5 38.075 49.283 24.836 1.00 29.99 H new ATOM 0 HA LYS B 5 38.177 49.830 22.189 1.00 30.75 H new ATOM 0 HB2 LYS B 5 35.835 49.443 23.171 1.00 42.63 H new ATOM 0 HB3 LYS B 5 35.983 50.976 23.418 1.00 42.63 H new ATOM 0 HG2 LYS B 5 36.223 49.837 20.848 1.00 60.30 H new ATOM 0 HG3 LYS B 5 34.887 50.450 21.370 1.00 60.30 H new ATOM 0 HD2 LYS B 5 36.169 52.527 21.688 1.00 64.41 H new ATOM 0 HD3 LYS B 5 37.251 51.867 20.779 1.00 64.41 H new ATOM 0 HE2 LYS B 5 34.635 51.971 19.772 1.00 60.01 H new ATOM 0 HE3 LYS B 5 35.458 53.295 19.737 1.00 60.01 H new ATOM 0 HZ1 LYS B 5 35.738 52.151 17.790 1.00 58.83 H new ATOM 0 HZ2 LYS B 5 37.027 52.223 18.458 1.00 58.83 H new ATOM 0 HZ3 LYS B 5 36.259 50.990 18.490 1.00 58.83 H new ATOM 2007 N GLN B 6 39.113 52.055 22.610 1.00 24.07 N ANISOU 2007 N GLN B 6 3692 2746 2709 -94 140 -316 N ATOM 2008 CA GLN B 6 39.753 53.313 22.967 1.00 22.95 C ANISOU 2008 CA GLN B 6 3464 2629 2629 -62 106 -253 C ATOM 2009 C GLN B 6 39.343 54.379 21.937 1.00 21.01 C ANISOU 2009 C GLN B 6 3123 2461 2400 -81 73 -224 C ATOM 2010 O GLN B 6 39.264 54.096 20.742 1.00 22.09 O ANISOU 2010 O GLN B 6 3259 2640 2493 -81 81 -230 O ATOM 2011 CB GLN B 6 41.289 53.141 23.048 1.00 24.34 C ANISOU 2011 CB GLN B 6 3652 2797 2798 18 118 -210 C ATOM 2012 CG GLN B 6 42.013 54.444 23.476 1.00 28.36 C ANISOU 2012 CG GLN B 6 4073 3330 3374 53 83 -142 C ATOM 2013 CD GLN B 6 43.434 54.265 24.004 1.00 30.61 C ANISOU 2013 CD GLN B 6 4378 3587 3664 125 94 -104 C ATOM 2014 OE1 GLN B 6 44.116 55.263 24.273 1.00 20.06 O ANISOU 2014 OE1 GLN B 6 2974 2271 2378 158 67 -48 O ATOM 2015 NE2 GLN B 6 43.884 53.011 24.174 1.00 33.62 N ANISOU 2015 NE2 GLN B 6 4854 3923 3998 149 134 -134 N ATOM 0 H GLN B 6 39.206 51.823 21.787 1.00 24.07 H new ATOM 0 HA GLN B 6 39.461 53.601 23.846 1.00 22.95 H new ATOM 0 HB2 GLN B 6 41.499 52.436 23.680 1.00 24.34 H new ATOM 0 HB3 GLN B 6 41.625 52.857 22.184 1.00 24.34 H new ATOM 0 HG2 GLN B 6 42.041 55.045 22.715 1.00 28.36 H new ATOM 0 HG3 GLN B 6 41.483 54.880 24.162 1.00 28.36 H new ATOM 0 HE21 GLN B 6 43.380 52.343 23.976 1.00 33.62 H new ATOM 0 HE22 GLN B 6 44.676 52.876 24.481 1.00 33.62 H new ATOM 2024 N ATHR B 7 39.082 55.588 22.420 0.69 22.31 N ANISOU 2024 N ATHR B 7 3207 2642 2628 -97 37 -193 N ATOM 2025 N BTHR B 7 39.054 55.590 22.401 0.31 22.36 N ANISOU 2025 N BTHR B 7 3212 2648 2633 -99 37 -194 N ATOM 2026 CA ATHR B 7 38.609 56.684 21.567 0.69 21.53 C ANISOU 2026 CA ATHR B 7 3013 2613 2552 -120 3 -165 C ATOM 2027 CA BTHR B 7 38.647 56.675 21.502 0.31 21.91 C ANISOU 2027 CA BTHR B 7 3061 2664 2599 -118 3 -164 C ATOM 2028 C ATHR B 7 39.165 58.032 22.018 0.69 18.80 C ANISOU 2028 C ATHR B 7 2577 2291 2277 -94 -34 -102 C ATOM 2029 C BTHR B 7 39.127 58.031 22.004 0.31 18.59 C ANISOU 2029 C BTHR B 7 2550 2264 2249 -96 -34 -104 C ATOM 2030 O ATHR B 7 39.381 58.251 23.201 0.69 16.72 O ANISOU 2030 O ATHR B 7 2318 1982 2053 -86 -40 -95 O ATOM 2031 O BTHR B 7 39.231 58.260 23.204 0.31 16.70 O ANISOU 2031 O BTHR B 7 2316 1980 2051 -94 -41 -99 O ATOM 2032 CB ATHR B 7 37.065 56.771 21.574 0.69 24.87 C ANISOU 2032 CB ATHR B 7 3431 3037 2980 -201 -6 -212 C ATOM 2033 CB BTHR B 7 37.111 56.749 21.341 0.31 24.97 C ANISOU 2033 CB BTHR B 7 3442 3060 2986 -197 -5 -210 C ATOM 2034 OG1ATHR B 7 36.499 55.461 21.477 0.69 26.92 O ANISOU 2034 OG1ATHR B 7 3786 3261 3183 -229 29 -276 O ATOM 2035 OG1BTHR B 7 36.524 57.112 22.594 0.31 23.95 O ANISOU 2035 OG1BTHR B 7 3308 2888 2905 -232 -19 -223 O ATOM 2036 CG2ATHR B 7 36.602 57.578 20.415 0.69 24.05 C ANISOU 2036 CG2ATHR B 7 3248 3009 2879 -221 -32 -193 C ATOM 2037 CG2BTHR B 7 36.543 55.422 20.901 0.31 28.65 C ANISOU 2037 CG2BTHR B 7 3998 3504 3386 -225 30 -273 C ATOM 0 H ATHR B 7 39.172 55.800 23.248 0.69 22.36 H new ATOM 0 H BTHR B 7 39.086 55.808 23.232 0.31 22.36 H new ATOM 0 HA ATHR B 7 38.926 56.488 20.671 0.69 21.91 H new ATOM 0 HA BTHR B 7 39.056 56.473 20.646 0.31 21.91 H new ATOM 0 HB ATHR B 7 36.782 57.188 22.403 0.69 24.97 H new ATOM 0 HB BTHR B 7 36.907 57.412 20.663 0.31 24.97 H new ATOM 0 HG1ATHR B 7 35.661 55.517 21.483 0.69 23.95 H new ATOM 0 HG1BTHR B 7 35.820 56.669 22.712 0.31 23.95 H new ATOM 0 HG21ATHR B 7 35.633 57.630 20.423 0.69 28.65 H new ATOM 0 HG21BTHR B 7 35.580 55.497 20.808 0.31 28.65 H new ATOM 0 HG22ATHR B 7 36.974 58.472 20.474 0.69 28.65 H new ATOM 0 HG22BTHR B 7 36.931 55.170 20.048 0.31 28.65 H new ATOM 0 HG23ATHR B 7 36.896 57.159 19.591 0.69 28.65 H new ATOM 0 HG23BTHR B 7 36.752 54.745 21.563 0.31 28.65 H new ATOM 2052 N SER B 8 39.398 58.929 21.066 1.00 18.05 N ANISOU 2052 N SER B 8 2400 2265 2195 -79 -59 -58 N ATOM 2053 CA SER B 8 39.795 60.295 21.389 1.00 20.71 C ANISOU 2053 CA SER B 8 2642 2630 2598 -61 -98 2 C ATOM 2054 C SER B 8 38.549 61.150 21.558 1.00 19.86 C ANISOU 2054 C SER B 8 2476 2540 2531 -127 -129 -11 C ATOM 2055 O SER B 8 37.589 61.004 20.796 1.00 21.93 O ANISOU 2055 O SER B 8 2736 2830 2766 -174 -128 -42 O ATOM 2056 CB SER B 8 40.672 60.876 20.286 1.00 24.28 C ANISOU 2056 CB SER B 8 3031 3149 3047 -13 -111 58 C ATOM 2057 OG SER B 8 41.804 60.067 20.072 1.00 25.67 O ANISOU 2057 OG SER B 8 3260 3311 3182 48 -82 69 O ATOM 0 H ASER B 8 39.332 58.766 20.224 0.69 18.05 H new ATOM 0 H BSER B 8 39.357 58.765 20.223 0.31 18.05 H new ATOM 0 HA SER B 8 40.306 60.288 22.214 1.00 20.71 H new ATOM 0 HB2 SER B 8 40.161 60.949 19.465 1.00 24.28 H new ATOM 0 HB3 SER B 8 40.951 61.773 20.527 1.00 24.28 H new ATOM 0 HG SER B 8 42.267 60.041 20.773 1.00 25.67 H new ATOM 2063 N VAL B 9 38.574 62.046 22.537 1.00 19.24 N ANISOU 2063 N VAL B 9 2351 2445 2516 -129 -156 15 N ATOM 2064 CA VAL B 9 37.497 63.014 22.710 1.00 19.07 C ANISOU 2064 CA VAL B 9 2263 2445 2540 -185 -189 13 C ATOM 2065 C VAL B 9 38.052 64.442 22.827 1.00 18.45 C ANISOU 2065 C VAL B 9 2083 2403 2525 -158 -230 80 C ATOM 2066 O VAL B 9 37.269 65.414 22.807 1.00 18.67 O ANISOU 2066 O VAL B 9 2040 2460 2593 -198 -262 88 O ATOM 2067 CB VAL B 9 36.649 62.664 23.924 1.00 15.88 C ANISOU 2067 CB VAL B 9 1907 1976 2151 -231 -182 -34 C ATOM 2068 CG1 VAL B 9 36.043 61.277 23.779 1.00 16.55 C ANISOU 2068 CG1 VAL B 9 2090 2025 2173 -262 -143 -101 C ATOM 2069 CG2 VAL B 9 37.492 62.720 25.190 1.00 15.04 C ANISOU 2069 CG2 VAL B 9 1819 1816 2079 -191 -182 -13 C ATOM 2070 OXT VAL B 9 39.276 64.633 22.931 1.00 16.78 O ANISOU 2070 OXT VAL B 9 1857 2192 2325 -96 -232 126 O ATOM 0 H VAL B 9 39.208 62.111 23.114 1.00 19.24 H new ATOM 0 HA VAL B 9 36.932 62.977 21.923 1.00 19.07 H new ATOM 0 HB VAL B 9 35.931 63.314 23.986 1.00 15.88 H new ATOM 0 HG11 VAL B 9 35.507 61.074 24.562 1.00 16.55 H new ATOM 0 HG12 VAL B 9 35.482 61.250 22.988 1.00 16.55 H new ATOM 0 HG13 VAL B 9 36.752 60.621 23.694 1.00 16.55 H new ATOM 0 HG21 VAL B 9 36.941 62.495 25.956 1.00 15.04 H new ATOM 0 HG22 VAL B 9 38.223 62.086 25.121 1.00 15.04 H new ATOM 0 HG23 VAL B 9 37.850 63.615 25.301 1.00 15.04 H new TER 2080 VAL B 9 HETATM 2081 O HOH A 501 57.292 48.672 27.781 1.00 42.43 O HETATM 2082 O HOH A 502 22.678 54.949 21.607 1.00 19.28 O HETATM 2083 O HOH A 503 48.234 49.708 44.294 1.00 22.17 O HETATM 2084 O HOH A 504 49.767 65.862 40.415 1.00 39.80 O HETATM 2085 O HOH A 505 45.281 65.195 38.456 1.00 71.57 O HETATM 2086 O HOH A 506 45.378 75.068 34.385 1.00 28.09 O HETATM 2087 O HOH A 507 26.333 53.138 21.172 1.00 41.80 O HETATM 2088 O HOH A 508 60.905 49.374 34.560 1.00 38.49 O HETATM 2089 O HOH A 509 33.157 77.489 28.853 1.00 45.48 O HETATM 2090 O HOH A 510 38.747 72.658 37.050 1.00 28.37 O HETATM 2091 O HOH A 511 32.040 51.777 32.089 1.00 46.76 O HETATM 2092 O HOH A 512 41.505 50.467 42.665 1.00 31.87 O HETATM 2093 O HOH A 513 27.588 51.741 23.186 1.00 39.06 O HETATM 2094 O HOH A 514 41.293 71.014 21.261 1.00 27.73 O HETATM 2095 O HOH A 515 24.236 57.568 32.399 1.00 24.90 O HETATM 2096 O HOH A 516 50.848 66.586 47.918 1.00 53.00 O HETATM 2097 O HOH A 517 36.049 64.223 47.116 1.00 27.63 O HETATM 2098 O HOH A 518 47.899 74.835 23.825 1.00 35.12 O HETATM 2099 O HOH A 519 40.208 56.122 43.919 1.00 14.58 O HETATM 2100 O HOH A 520 30.364 72.965 20.105 1.00 27.16 O HETATM 2101 O HOH A 521 36.971 60.245 18.320 1.00 28.79 O HETATM 2102 O HOH A 522 41.166 60.904 42.708 1.00 13.38 O HETATM 2103 O HOH A 523 36.130 49.160 31.636 1.00 41.57 O HETATM 2104 O HOH A 524 39.384 74.917 30.781 0.46 18.08 O HETATM 2105 O HOH A 525 40.873 75.072 27.318 1.00 40.24 O HETATM 2106 O HOH A 526 53.048 54.197 29.339 1.00 28.58 O HETATM 2107 O HOH A 527 36.031 76.748 19.639 1.00 30.30 O HETATM 2108 O HOH A 528 30.231 73.297 36.515 1.00 30.89 O HETATM 2109 O HOH A 529 26.716 64.963 27.158 1.00 27.85 O HETATM 2110 O HOH A 530 29.608 80.248 21.841 1.00 33.51 O HETATM 2111 O HOH A 531 29.346 68.879 39.829 1.00 36.52 O HETATM 2112 O HOH A 532 33.436 55.314 34.384 1.00 13.38 O HETATM 2113 O HOH A 533 41.158 73.825 29.946 1.00 40.91 O HETATM 2114 O HOH A 534 55.588 44.736 34.237 1.00 28.41 O HETATM 2115 O HOH A 535 49.538 45.442 32.720 1.00 27.85 O HETATM 2116 O HOH A 536 25.644 53.995 36.316 1.00 30.67 O HETATM 2117 O HOH A 537 39.805 69.637 40.221 1.00 28.96 O HETATM 2118 O HOH A 538 44.750 67.866 26.495 1.00 11.88 O HETATM 2119 O HOH A 539 44.024 62.825 42.220 1.00 19.53 O HETATM 2120 O HOH A 540 29.305 72.031 32.674 1.00 23.11 O HETATM 2121 O HOH A 541 48.137 68.000 32.612 1.00 30.77 O HETATM 2122 O HOH A 542 49.310 63.868 48.677 1.00 39.35 O HETATM 2123 O HOH A 543 44.151 73.661 23.769 1.00 36.54 O HETATM 2124 O HOH A 544 35.299 53.330 44.468 1.00 25.83 O HETATM 2125 O HOH A 545 25.780 59.174 25.508 1.00 27.05 O HETATM 2126 O HOH A 546 51.870 51.091 26.357 1.00 17.30 O HETATM 2127 O HOH A 547 28.097 72.842 28.686 1.00 43.82 O HETATM 2128 O HOH A 548 47.458 56.986 45.520 1.00 32.68 O HETATM 2129 O HOH A 549 44.879 74.202 37.163 1.00 38.71 O HETATM 2130 O HOH A 550 53.107 54.449 32.449 1.00 40.87 O HETATM 2131 O HOH A 551 50.153 51.393 45.465 1.00 25.26 O HETATM 2132 O HOH A 552 29.669 65.655 35.990 1.00 15.68 O HETATM 2133 O HOH A 553 50.133 44.750 36.930 1.00 35.69 O HETATM 2134 O HOH A 554 29.884 69.472 22.446 1.00 23.66 O HETATM 2135 O HOH A 555 35.063 54.510 41.027 1.00 33.58 O HETATM 2136 O HOH A 556 52.091 69.227 28.828 1.00 20.51 O HETATM 2137 O HOH A 557 50.777 72.480 28.467 1.00 29.05 O HETATM 2138 O HOH A 558 54.544 47.893 41.328 1.00 19.17 O HETATM 2139 O HOH A 559 43.593 59.748 48.887 1.00 25.76 O HETATM 2140 O HOH A 560 27.849 74.695 25.129 1.00 46.75 O HETATM 2141 O HOH A 561 56.780 54.067 33.752 1.00 28.91 O HETATM 2142 O HOH A 562 26.673 54.789 34.000 1.00 21.65 O HETATM 2143 O HOH A 563 45.441 67.666 33.153 1.00 25.37 O HETATM 2144 O HOH A 564 50.304 47.012 40.383 1.00 19.33 O HETATM 2145 O HOH A 565 33.518 50.222 29.838 1.00 48.44 O HETATM 2146 O HOH A 566 34.440 77.223 26.310 1.00 31.66 O HETATM 2147 O HOH A 567 32.684 51.889 37.852 1.00 29.75 O HETATM 2148 O HOH A 568 41.745 67.283 40.155 1.00 22.56 O HETATM 2149 O HOH A 569 28.469 48.492 38.684 1.00 40.39 O HETATM 2150 O HOH A 570 60.686 64.758 48.737 1.00 41.51 O HETATM 2151 O HOH A 571 36.156 76.953 35.811 1.00 49.73 O HETATM 2152 O HOH A 572 42.431 57.159 19.520 1.00 38.41 O HETATM 2153 O HOH A 573 50.454 57.744 37.377 1.00 22.50 O HETATM 2154 O HOH A 574 53.472 48.927 27.213 1.00 25.65 O HETATM 2155 O HOH A 575 36.788 51.406 38.926 1.00 34.72 O HETATM 2156 O HOH A 576 49.284 59.076 35.812 1.00 30.17 O HETATM 2157 O HOH A 577 31.249 71.870 22.330 1.00 30.32 O HETATM 2158 O HOH A 578 46.139 58.656 48.305 1.00 45.45 O HETATM 2159 O HOH A 579 48.999 61.558 32.962 1.00 24.06 O HETATM 2160 O HOH A 580 41.389 54.037 45.132 1.00 18.02 O HETATM 2161 O HOH A 581 46.453 42.924 32.212 1.00 35.76 O HETATM 2162 O HOH A 582 47.778 70.666 21.374 1.00 38.24 O HETATM 2163 O HOH A 583 52.273 47.879 44.445 1.00 42.09 O HETATM 2164 O HOH A 584 48.820 53.878 46.322 1.00 30.39 O HETATM 2165 O HOH A 585 48.527 56.094 26.089 0.50 33.65 O HETATM 2166 O HOH A 586 58.521 53.217 40.886 1.00 33.04 O HETATM 2167 O HOH A 587 51.594 61.588 50.852 1.00 42.20 O HETATM 2168 O HOH A 588 28.627 75.489 27.756 1.00 39.75 O HETATM 2169 O HOH A 589 49.509 72.754 43.198 1.00 37.17 O HETATM 2170 O HOH A 590 45.515 77.189 31.329 1.00 31.99 O HETATM 2171 O HOH A 591 38.496 76.891 34.589 1.00 43.46 O HETATM 2172 O HOH A 592 27.188 70.498 33.837 1.00 37.25 O HETATM 2173 O HOH A 593 44.260 65.456 42.711 1.00 32.92 O HETATM 2174 O HOH A 594 43.927 66.850 40.279 1.00 44.20 O HETATM 2175 O HOH A 595 47.345 66.329 37.171 1.00 52.73 O HETATM 2176 O HOH A 596 24.491 66.048 25.864 1.00 48.33 O HETATM 2177 O HOH A 597 55.494 47.037 26.257 1.00 42.03 O HETATM 2178 O HOH A 598 40.237 51.647 44.699 1.00 19.69 O HETATM 2179 O HOH A 599 51.496 43.591 33.253 1.00 47.28 O HETATM 2180 O HOH A 600 27.578 69.420 20.447 1.00 47.36 O HETATM 2181 O HOH A 601 49.757 47.335 43.176 1.00 41.04 O HETATM 2182 O HOH A 602 28.262 77.864 27.443 1.00 50.74 O HETATM 2183 O HOH A 603 27.115 69.333 36.237 1.00 37.19 O HETATM 2184 O HOH A 604 41.913 45.664 38.885 1.00 41.74 O HETATM 2185 O HOH A 605 28.410 67.426 37.957 1.00 23.41 O HETATM 2186 O HOH A 606 42.005 47.861 43.312 1.00 35.48 O HETATM 2187 O HOH A 607 26.321 73.216 26.241 1.00 50.12 O HETATM 2188 O HOH A 608 28.870 71.871 38.486 1.00 45.02 O HETATM 2189 O HOH A 609 31.075 51.719 39.775 1.00 40.86 O HETATM 2190 O HOH A 610 55.886 52.871 28.389 1.00 35.94 O HETATM 2191 O HOH A 611 45.982 60.612 49.609 1.00 39.93 O HETATM 2192 O HOH A 612 51.043 50.185 47.763 1.00 42.05 O HETATM 2193 O HOH A 613 59.801 53.714 43.600 1.00 37.85 O HETATM 2194 O HOH A 614 46.998 45.963 41.077 1.00 45.35 O HETATM 2195 O HOH A 615 26.687 73.228 22.489 1.00 39.41 O HETATM 2196 O HOH A 616 24.726 62.316 27.454 1.00 39.46 O HETATM 2197 O HOH B 101 46.593 56.094 24.155 0.50 28.39 O HETATM 2198 O HOH B 102 35.169 40.968 24.326 1.00 41.86 O HETATM 2199 O HOH B 103 45.140 49.590 21.238 1.00 21.54 O HETATM 2200 O HOH B 104 38.848 52.428 18.191 1.00 42.75 O HETATM 2201 O HOH B 105 41.649 64.045 21.622 1.00 17.45 O HETATM 2202 O HOH B 106 39.375 57.961 18.415 1.00 33.80 O HETATM 2203 O HOH B 107 39.969 50.930 20.084 1.00 31.49 O HETATM 2204 O HOH B 108 38.218 55.180 18.114 1.00 50.83 O HETATM 2205 O HOH B 109 38.620 56.094 16.182 0.50 52.30 O END