USER MOD reduce.3.24.130724 H: found=0, std=0, add=1027, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1016 hydrogens (0 hets) HEADER PEPTIDE BINDING PROTEIN 06-JAN-16 5HFC TITLE THE THIRD PDZ DOMAIN FROM THE SYNAPTIC PROTEIN PSD-95 (H372A MUTANT) TITLE 2 IN COMPLEX WITH A MUTANT C-TERMINAL PEPTIDE DERIVED FROM CRIPT (T-2F) COMPND MOL_ID: 1; COMPND 2 MOLECULE: DISKS LARGE HOMOLOG 4; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: PDZ-3 DOMAIN (UNP RESIDUES 302-402); COMPND 5 SYNONYM: POSTSYNAPTIC DENSITY PROTEIN 95,PSD-95,SYNAPSE-ASSOCIATED COMPND 6 PROTEIN 90,SAP90; COMPND 7 ENGINEERED: YES; COMPND 8 MUTATION: YES; COMPND 9 MOL_ID: 2; COMPND 0 MOLECULE: CYSTEINE-RICH PDZ-BINDING PROTEIN; COMPND 1 CHAIN: B; COMPND 2 FRAGMENT: PDZ3-BINDING DOMAIN (UNP RESIDUES 93-101); COMPND 3 SYNONYM: CYSTEINE-RICH INTERACTOR OF PDZ THREE,CYSTEINE-RICH COMPND 4 INTERACTOR OF PDZ3; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES; COMPND 7 OTHER_DETAILS: SYNTHESIZED USING STANDARD FMOC CHEMISTRY, HPCL COMPND 8 PURIFIED, AND LYOPHILIZED. SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: RAT; SOURCE 4 ORGANISM_TAXID: 10116; SOURCE 5 GENE: DLG4, DLGH4, PSD95; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PGEX-4T-1; SOURCE 1 MOL_ID: 2; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 4 ORGANISM_COMMON: RAT; SOURCE 5 ORGANISM_TAXID: 10116 KEYWDS PDZ, GLGF, DHR, ADHESION, SYNAPSE, SYNAPTIC DENSITY, PEPTIDE-BINDING KEYWDS 2 DOMAIN, PEPTIDE BINDING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR K.I.WHITE,A.S.RAMAN,R.RANGANATHAN REVDAT 1 16-NOV-16 5HFC 0 JRNL AUTH A.S.RAMAN,K.I.WHITE,R.RANGANATHAN JRNL TITL ORIGINS OF ALLOSTERY AND EVOLVABILITY IN PROTEINS: A CASE JRNL TITL 2 STUDY. JRNL REF CELL(CAMBRIDGE,MASS.) V. 166 468 2016 JRNL REFN ISSN 0092-8674 JRNL PMID 27321669 JRNL DOI 10.1016/J.CELL.2016.05.047 REMARK 2 REMARK 2 RESOLUTION. 1.85 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 1.10PRE_2104 REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.85 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 40.00 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.460 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.2 REMARK 3 NUMBER OF REFLECTIONS : 10760 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.187 REMARK 3 R VALUE (WORKING SET) : 0.184 REMARK 3 FREE R VALUE : 0.207 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.020 REMARK 3 FREE R VALUE TEST SET COUNT : 1078 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 40.0103 - 3.7020 0.99 1336 150 0.1697 0.1898 REMARK 3 2 3.7020 - 2.9387 1.00 1258 139 0.1710 0.1924 REMARK 3 3 2.9387 - 2.5673 1.00 1222 136 0.1792 0.2103 REMARK 3 4 2.5673 - 2.3326 1.00 1223 137 0.1854 0.1803 REMARK 3 5 2.3326 - 2.1654 1.00 1204 134 0.1974 0.2596 REMARK 3 6 2.1654 - 2.0377 1.00 1190 132 0.1923 0.2118 REMARK 3 7 2.0377 - 1.9357 1.00 1195 133 0.2056 0.2313 REMARK 3 8 1.9357 - 1.8514 0.88 1054 117 0.2900 0.3143 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.180 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 20.170 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 : 0.012 1060 REMARK 3 ANGLE : 1.462 1444 REMARK 3 CHIRALITY : 0.733 155 REMARK 3 PLANARITY : 0.021 203 REMARK 3 DIHEDRAL : 23.328 405 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 8 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: (CHAIN A AND RESID 299:303) REMARK 3 ORIGIN FOR THE GROUP (A): 60.8167 66.7794 46.7452 REMARK 3 T TENSOR REMARK 3 T11: 0.4282 T22: 0.5500 REMARK 3 T33: 0.7068 T12: 0.0052 REMARK 3 T13: -0.1147 T23: 0.0397 REMARK 3 L TENSOR REMARK 3 L11: 0.7728 L22: 1.7764 REMARK 3 L33: 3.7226 L12: -1.0062 REMARK 3 L13: 0.4728 L23: 0.6520 REMARK 3 S TENSOR REMARK 3 S11: 0.1968 S12: -0.4919 S13: 0.2045 REMARK 3 S21: 0.4323 S22: 0.0165 S23: -0.7874 REMARK 3 S31: -0.1589 S32: 1.2197 S33: -0.2516 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: (CHAIN A AND RESID 304:317) REMARK 3 ORIGIN FOR THE GROUP (A): 42.4269 64.8068 41.6167 REMARK 3 T TENSOR REMARK 3 T11: 0.2178 T22: 0.1878 REMARK 3 T33: 0.1871 T12: -0.0091 REMARK 3 T13: -0.0134 T23: 0.0044 REMARK 3 L TENSOR REMARK 3 L11: 2.4118 L22: 2.5947 REMARK 3 L33: 3.3880 L12: 0.2167 REMARK 3 L13: -0.3305 L23: 0.0295 REMARK 3 S TENSOR REMARK 3 S11: -0.0578 S12: -0.3834 S13: 0.1455 REMARK 3 S21: 0.1102 S22: 0.0617 S23: -0.2706 REMARK 3 S31: -0.0107 S32: 0.1172 S33: -0.0671 REMARK 3 TLS GROUP : 3 REMARK 3 SELECTION: (CHAIN A AND RESID 318:346) REMARK 3 ORIGIN FOR THE GROUP (A): 39.4563 59.9919 26.8521 REMARK 3 T TENSOR REMARK 3 T11: 0.1336 T22: 0.1811 REMARK 3 T33: 0.1337 T12: -0.0131 REMARK 3 T13: 0.0044 T23: 0.0069 REMARK 3 L TENSOR REMARK 3 L11: 2.4402 L22: 2.1475 REMARK 3 L33: 4.5146 L12: -0.5185 REMARK 3 L13: -0.5213 L23: -0.5563 REMARK 3 S TENSOR REMARK 3 S11: -0.0568 S12: 0.1692 S13: -0.0944 REMARK 3 S21: -0.1144 S22: 0.0717 S23: 0.1090 REMARK 3 S31: 0.1780 S32: -0.2697 S33: -0.0648 REMARK 3 TLS GROUP : 4 REMARK 3 SELECTION: (CHAIN A AND RESID 347:369) REMARK 3 ORIGIN FOR THE GROUP (A): 36.6673 61.8739 34.1932 REMARK 3 T TENSOR REMARK 3 T11: 0.1646 T22: 0.1667 REMARK 3 T33: 0.1386 T12: 0.0028 REMARK 3 T13: -0.0078 T23: 0.0065 REMARK 3 L TENSOR REMARK 3 L11: 2.4243 L22: 2.0785 REMARK 3 L33: 2.9025 L12: 0.3943 REMARK 3 L13: -0.9176 L23: -0.2247 REMARK 3 S TENSOR REMARK 3 S11: 0.0698 S12: -0.1601 S13: 0.0792 REMARK 3 S21: 0.0331 S22: -0.0233 S23: -0.0142 REMARK 3 S31: -0.1376 S32: -0.1633 S33: -0.0486 REMARK 3 TLS GROUP : 5 REMARK 3 SELECTION: (CHAIN A AND RESID 370:380) REMARK 3 ORIGIN FOR THE GROUP (A): 30.3816 57.9050 24.2635 REMARK 3 T TENSOR REMARK 3 T11: 0.1606 T22: 0.3080 REMARK 3 T33: 0.1372 T12: -0.0281 REMARK 3 T13: -0.0260 T23: 0.0281 REMARK 3 L TENSOR REMARK 3 L11: 3.7033 L22: 7.8351 REMARK 3 L33: 3.9631 L12: 0.3201 REMARK 3 L13: -0.4840 L23: -2.7909 REMARK 3 S TENSOR REMARK 3 S11: -0.1171 S12: 0.3621 S13: -0.1049 REMARK 3 S21: -0.3560 S22: 0.5505 S23: 0.3807 REMARK 3 S31: 0.3398 S32: -0.6138 S33: -0.0080 REMARK 3 TLS GROUP : 6 REMARK 3 SELECTION: (CHAIN A AND RESID 381:403) REMARK 3 ORIGIN FOR THE GROUP (A): 39.9058 57.0172 33.8960 REMARK 3 T TENSOR REMARK 3 T11: 0.1269 T22: 0.1535 REMARK 3 T33: 0.1578 T12: -0.0224 REMARK 3 T13: 0.0086 T23: 0.0253 REMARK 3 L TENSOR REMARK 3 L11: 2.0540 L22: 1.6752 REMARK 3 L33: 2.9888 L12: -0.8994 REMARK 3 L13: -0.2987 L23: 0.7291 REMARK 3 S TENSOR REMARK 3 S11: -0.0783 S12: -0.0249 S13: -0.0538 REMARK 3 S21: 0.0472 S22: 0.1737 S23: 0.0307 REMARK 3 S31: 0.0667 S32: -0.0956 S33: -0.0447 REMARK 3 TLS GROUP : 7 REMARK 3 SELECTION: (CHAIN A AND RESID 404:415) REMARK 3 ORIGIN FOR THE GROUP (A): 53.4530 52.5320 38.4444 REMARK 3 T TENSOR REMARK 3 T11: 0.2424 T22: 0.2923 REMARK 3 T33: 0.2518 T12: 0.0927 REMARK 3 T13: -0.0758 T23: -0.0190 REMARK 3 L TENSOR REMARK 3 L11: 3.9328 L22: 5.3151 REMARK 3 L33: 3.9004 L12: -0.2578 REMARK 3 L13: -0.1462 L23: -0.2200 REMARK 3 S TENSOR REMARK 3 S11: 0.2043 S12: 0.3056 S13: 0.2071 REMARK 3 S21: 0.0461 S22: -0.1691 S23: -0.5410 REMARK 3 S31: 0.1543 S32: 0.8610 S33: -0.1694 REMARK 3 TLS GROUP : 8 REMARK 3 SELECTION: (CHAIN B AND RESID 3:9) REMARK 3 ORIGIN FOR THE GROUP (A): 38.4964 52.5861 22.4799 REMARK 3 T TENSOR REMARK 3 T11: 0.3346 T22: 0.1767 REMARK 3 T33: 0.2548 T12: 0.0120 REMARK 3 T13: 0.0284 T23: 0.0024 REMARK 3 L TENSOR REMARK 3 L11: 4.2916 L22: 3.3526 REMARK 3 L33: 5.2695 L12: -3.3509 REMARK 3 L13: 0.4028 L23: -2.2508 REMARK 3 S TENSOR REMARK 3 S11: -0.1078 S12: 0.0702 S13: -0.4880 REMARK 3 S21: -0.1856 S22: 0.1455 S23: 0.3920 REMARK 3 S31: 0.9582 S32: 0.0416 S33: -0.0685 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 5HFC 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_1000216946. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 11-SEP-12 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU FR-E SUPERBRIGHT REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.54178 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV++ REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 10760 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.851 REMARK 200 RESOLUTION RANGE LOW (A) : 40.001 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.2 REMARK 200 DATA REDUNDANCY : 6.300 REMARK 200 R MERGE (I) : 0.04000 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 35.5430 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.85 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.94 REMARK 200 COMPLETENESS FOR SHELL (%) : 88.0 REMARK 200 DATA REDUNDANCY IN SHELL : 2.50 REMARK 200 R MERGE FOR SHELL (I) : 0.44800 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 1.000 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 (%): 43.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.15 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 1.05 M SODIUM CITRATE, PH 7.0. EQUAL AMOUNTS REMARK 280 (1.5 MICROLITERS) OF PROTEIN (7 MG/ML) AND RESERVOIR SOLUTION REMARK 280 WERE MIXED AND EQUILLIBRATED AGAINST 500 MICROLITERS OF REMARK 280 CRYSTALLIZATION BUFFER., VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 289K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 3 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 5555 Z,X,Y REMARK 290 6555 Z+1/2,-X+1/2,-Y REMARK 290 7555 -Z+1/2,-X,Y+1/2 REMARK 290 8555 -Z,X+1/2,-Y+1/2 REMARK 290 9555 Y,Z,X REMARK 290 10555 -Y,Z+1/2,-X+1/2 REMARK 290 11555 Y+1/2,-Z+1/2,-X REMARK 290 12555 -Y+1/2,-Z,X+1/2 REMARK 290 13555 Y+3/4,X+1/4,-Z+1/4 REMARK 290 14555 -Y+3/4,-X+3/4,-Z+3/4 REMARK 290 15555 Y+1/4,-X+1/4,Z+3/4 REMARK 290 16555 -Y+1/4,X+3/4,Z+1/4 REMARK 290 17555 X+3/4,Z+1/4,-Y+1/4 REMARK 290 18555 -X+1/4,Z+3/4,Y+1/4 REMARK 290 19555 -X+3/4,-Z+3/4,-Y+3/4 REMARK 290 20555 X+1/4,-Z+1/4,Y+3/4 REMARK 290 21555 Z+3/4,Y+1/4,-X+1/4 REMARK 290 22555 Z+1/4,-Y+1/4,X+3/4 REMARK 290 23555 -Z+1/4,Y+3/4,X+1/4 REMARK 290 24555 -Z+3/4,-Y+3/4,-X+3/4 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 44.72250 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 44.72250 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 44.72250 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 44.72250 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 44.72250 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 44.72250 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 44.72250 REMARK 290 SMTRY2 6 -1.000000 0.000000 0.000000 44.72250 REMARK 290 SMTRY3 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 7 0.000000 0.000000 -1.000000 44.72250 REMARK 290 SMTRY2 7 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 1.000000 0.000000 44.72250 REMARK 290 SMTRY1 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 8 1.000000 0.000000 0.000000 44.72250 REMARK 290 SMTRY3 8 0.000000 -1.000000 0.000000 44.72250 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 44.72250 REMARK 290 SMTRY3 10 -1.000000 0.000000 0.000000 44.72250 REMARK 290 SMTRY1 11 0.000000 1.000000 0.000000 44.72250 REMARK 290 SMTRY2 11 0.000000 0.000000 -1.000000 44.72250 REMARK 290 SMTRY3 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 12 0.000000 -1.000000 0.000000 44.72250 REMARK 290 SMTRY2 12 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 12 1.000000 0.000000 0.000000 44.72250 REMARK 290 SMTRY1 13 0.000000 1.000000 0.000000 67.08375 REMARK 290 SMTRY2 13 1.000000 0.000000 0.000000 22.36125 REMARK 290 SMTRY3 13 0.000000 0.000000 -1.000000 22.36125 REMARK 290 SMTRY1 14 0.000000 -1.000000 0.000000 67.08375 REMARK 290 SMTRY2 14 -1.000000 0.000000 0.000000 67.08375 REMARK 290 SMTRY3 14 0.000000 0.000000 -1.000000 67.08375 REMARK 290 SMTRY1 15 0.000000 1.000000 0.000000 22.36125 REMARK 290 SMTRY2 15 -1.000000 0.000000 0.000000 22.36125 REMARK 290 SMTRY3 15 0.000000 0.000000 1.000000 67.08375 REMARK 290 SMTRY1 16 0.000000 -1.000000 0.000000 22.36125 REMARK 290 SMTRY2 16 1.000000 0.000000 0.000000 67.08375 REMARK 290 SMTRY3 16 0.000000 0.000000 1.000000 22.36125 REMARK 290 SMTRY1 17 1.000000 0.000000 0.000000 67.08375 REMARK 290 SMTRY2 17 0.000000 0.000000 1.000000 22.36125 REMARK 290 SMTRY3 17 0.000000 -1.000000 0.000000 22.36125 REMARK 290 SMTRY1 18 -1.000000 0.000000 0.000000 22.36125 REMARK 290 SMTRY2 18 0.000000 0.000000 1.000000 67.08375 REMARK 290 SMTRY3 18 0.000000 1.000000 0.000000 22.36125 REMARK 290 SMTRY1 19 -1.000000 0.000000 0.000000 67.08375 REMARK 290 SMTRY2 19 0.000000 0.000000 -1.000000 67.08375 REMARK 290 SMTRY3 19 0.000000 -1.000000 0.000000 67.08375 REMARK 290 SMTRY1 20 1.000000 0.000000 0.000000 22.36125 REMARK 290 SMTRY2 20 0.000000 0.000000 -1.000000 22.36125 REMARK 290 SMTRY3 20 0.000000 1.000000 0.000000 67.08375 REMARK 290 SMTRY1 21 0.000000 0.000000 1.000000 67.08375 REMARK 290 SMTRY2 21 0.000000 1.000000 0.000000 22.36125 REMARK 290 SMTRY3 21 -1.000000 0.000000 0.000000 22.36125 REMARK 290 SMTRY1 22 0.000000 0.000000 1.000000 22.36125 REMARK 290 SMTRY2 22 0.000000 -1.000000 0.000000 22.36125 REMARK 290 SMTRY3 22 1.000000 0.000000 0.000000 67.08375 REMARK 290 SMTRY1 23 0.000000 0.000000 -1.000000 22.36125 REMARK 290 SMTRY2 23 0.000000 1.000000 0.000000 67.08375 REMARK 290 SMTRY3 23 1.000000 0.000000 0.000000 22.36125 REMARK 290 SMTRY1 24 0.000000 0.000000 -1.000000 67.08375 REMARK 290 SMTRY2 24 0.000000 -1.000000 0.000000 67.08375 REMARK 290 SMTRY3 24 -1.000000 0.000000 0.000000 67.08375 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: 6920 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 557 LIES ON A SPECIAL POSITION. REMARK 375 HOH B 107 LIES ON A SPECIAL POSITION. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLY A 297 REMARK 465 SER A 298 REMARK 465 THR B 1 REMARK 465 LYS B 2 REMARK 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 HH11 ARG A 354 O HOH A 504 1.46 REMARK 500 O HOH A 601 O HOH A 617 2.04 REMARK 500 OE1 GLU A 396 O HOH A 501 2.06 REMARK 500 O HOH A 550 O HOH A 567 2.18 REMARK 500 NZ LYS A 380 O HOH A 502 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 GLY A 329 CA - C - O ANGL. DEV. = -11.9 DEGREES REMARK 500 TYR B 4 O - C - N ANGL. DEV. = -20.6 DEGREES REMARK 500 TYR B 4 O - C - N ANGL. DEV. = -22.6 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 GLU A 331 -109.57 -79.09 REMARK 500 TYR B 4 153.24 82.55 REMARK 500 TYR B 4 156.80 82.55 REMARK 500 LYS B 5 145.38 -176.95 REMARK 500 LYS B 5 -67.15 -154.04 REMARK 500 GLN B 6 136.35 79.92 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 GLY A 329 22.27 REMARK 500 TYR B 4 -31.00 REMARK 500 TYR B 4 -32.29 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: 5HFD RELATED DB: PDB REMARK 900 RELATED ID: 5HFE RELATED DB: PDB REMARK 900 RELATED ID: 5HFF RELATED DB: PDB DBREF 5HFC A 302 402 UNP P31016 DLG4_RAT 302 402 DBREF 5HFC B 1 9 UNP Q792Q4 CRIPT_RAT 93 101 SEQADV 5HFC GLY A 297 UNP P31016 EXPRESSION TAG SEQADV 5HFC SER A 298 UNP P31016 EXPRESSION TAG SEQADV 5HFC PRO A 299 UNP P31016 EXPRESSION TAG SEQADV 5HFC GLU A 300 UNP P31016 EXPRESSION TAG SEQADV 5HFC PHE A 301 UNP P31016 EXPRESSION TAG SEQADV 5HFC ALA A 372 UNP P31016 HIS 372 ENGINEERED MUTATION SEQADV 5HFC ASN A 403 UNP P31016 EXPRESSION TAG SEQADV 5HFC SER A 404 UNP P31016 EXPRESSION TAG SEQADV 5HFC ARG A 405 UNP P31016 EXPRESSION TAG SEQADV 5HFC VAL A 406 UNP P31016 EXPRESSION TAG SEQADV 5HFC ASP A 407 UNP P31016 EXPRESSION TAG SEQADV 5HFC SER A 408 UNP P31016 EXPRESSION TAG SEQADV 5HFC SER A 409 UNP P31016 EXPRESSION TAG SEQADV 5HFC GLY A 410 UNP P31016 EXPRESSION TAG SEQADV 5HFC ARG A 411 UNP P31016 EXPRESSION TAG SEQADV 5HFC ILE A 412 UNP P31016 EXPRESSION TAG SEQADV 5HFC VAL A 413 UNP P31016 EXPRESSION TAG SEQADV 5HFC THR A 414 UNP P31016 EXPRESSION TAG SEQADV 5HFC ASP A 415 UNP P31016 EXPRESSION TAG SEQADV 5HFC PHE B 7 UNP Q792Q4 THR 99 ENGINEERED MUTATION SEQRES 1 A 119 GLY SER PRO GLU PHE LEU GLY GLU GLU ASP ILE PRO ARG SEQRES 2 A 119 GLU PRO ARG ARG ILE VAL ILE HIS ARG GLY SER THR GLY SEQRES 3 A 119 LEU GLY PHE ASN ILE VAL GLY GLY GLU ASP GLY GLU GLY SEQRES 4 A 119 ILE PHE ILE SER PHE ILE LEU ALA GLY GLY PRO ALA ASP SEQRES 5 A 119 LEU SER GLY GLU LEU ARG LYS GLY ASP GLN ILE LEU SER SEQRES 6 A 119 VAL ASN GLY VAL ASP LEU ARG ASN ALA SER ALA GLU GLN SEQRES 7 A 119 ALA ALA ILE ALA LEU LYS ASN ALA GLY GLN THR VAL THR SEQRES 8 A 119 ILE ILE ALA GLN TYR LYS PRO GLU GLU TYR SER ARG PHE SEQRES 9 A 119 GLU ALA ASN SER ARG VAL ASP SER SER GLY ARG ILE VAL SEQRES 10 A 119 THR ASP SEQRES 1 B 9 THR LYS ASN TYR LYS GLN PHE SER VAL FORMUL 3 HOH *124(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 ILE A 336 ILE A 341 0 SHEET 2 AA2 3 PHE A 325 GLY A 329 -1 N ASN A 326 O PHE A 340 SHEET 3 AA2 3 LYS B 5 SER B 8 -1 O PHE B 7 N ILE A 327 SHEET 1 AA3 2 SER A 404 VAL A 406 0 SHEET 2 AA3 2 ILE A 412 THR A 414 -1 O VAL A 413 N ARG A 405 CRYST1 89.445 89.445 89.445 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 0.011180 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011180 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011180 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= 0.989 K(o=-0.35,f=-7.4!) USER MOD Set 1.2: A 326 ASN B: amide:sc= 0.313 K(o=-0.35,f=-1.6) USER MOD Set 1.3: A 339 SER OG : rot 168:sc= 1.25 USER MOD Set 1.4: B 4 TYR OH : rot 180:sc= -2.23! USER MOD Set 1.5: B 6 GLN A: amide:sc= -1.21! C(o=-0.35!,f=-12!) USER MOD Set 1.6: B 6 GLN B: amide:sc= -0.763! C(o=-0.35!,f=-5.7!) USER MOD Set 1.7: B 8 SER OG : rot -62:sc= 1.3 USER MOD Set 2.1: A 404 SER OG B: rot -170:sc= 0.215 USER MOD Set 2.2: A 414 THR OG1 : rot -71:sc= 0.505 USER MOD Set 3.1: A 317 HIS : no HD1:sc= -0.122 X(o=-0.09,f=-0.33) USER MOD Set 3.2: A 385 THR OG1 : rot -81:sc= 0.0327 USER MOD Single : A 320 SER OG : rot -62:sc= 0.895 USER MOD Single : A 321 THR OG1A: rot 180:sc= -0.0704 USER MOD Single : A 321 THR OG1B: rot -55:sc= 0.0613 USER MOD Single : A 350 SER OG A: rot -70:sc= 1.27 USER MOD Single : A 350 SER OG B: rot 150:sc= 0 USER MOD Single : A 355 LYS NZ :NH3+ 179:sc= 0.37 (180deg=0.37) USER MOD Single : A 358 GLN : amide:sc= 0.118 K(o=0.12,f=-0.72) USER MOD Single : A 361 SER OG : rot 88:sc= 0.8 USER MOD Single : A 363 ASN : amide:sc= 0.577 K(o=0.58,f=-5.2!) USER MOD Single : A 369 ASN A: amide:sc= 0.656 X(o=0.66,f=0.35) USER MOD Single : A 369 ASN B: amide:sc= -1.15 K(o=-1.1,f=-5.1!) USER MOD Single : A 371 SER OG : rot -154:sc= 1.45 USER MOD Single : A 374 GLN :FLIP amide:sc= 0.854 F(o=0.0013!,f=0.85) USER MOD Single : A 380 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 381 ASN : amide:sc= 1.24 K(o=1.2,f=-0.2) USER MOD Single : A 384 GLN : amide:sc= 1.42 X(o=1.4,f=1.6) USER MOD Single : A 387 THR OG1 : rot 86:sc= 0.991 USER MOD Single : A 391 GLN : amide:sc= 0.368 K(o=0.37,f=-0.37) USER MOD Single : A 392 TYR OH : rot -143:sc= 2.33 USER MOD Single : A 393 LYS NZ :NH3+ 168:sc= 1.33 (180deg=1.18) USER MOD Single : A 397 TYR OH : rot -165:sc= 1.07 USER MOD Single : A 398 SER OG : rot -50:sc= 1.03 USER MOD Single : A 403 ASN : amide:sc= 1.19 K(o=1.2,f=-0.094) USER MOD Single : A 404 SER OG A: rot -103:sc= 1.76 USER MOD Single : A 408 SER OG : rot 180:sc= 0 USER MOD Single : A 409 SER OG : rot -42:sc= -1.02! USER MOD Single : B 3 ASN : amide:sc= -0.246 X(o=-0.25,f=0.033) USER MOD Single : B 5 LYS NZ A:NH3+ 146:sc= 0.0531 (180deg=-0.00159) USER MOD Single : B 5 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 299 65.790 68.645 48.570 1.00 86.28 N ANISOU 1 N PRO A 299 8411 11899 12473 -613 -1686 -99 N ATOM 2 CA PRO A 299 64.650 69.087 47.729 1.00 77.34 C ANISOU 2 CA PRO A 299 7575 10419 11392 -663 -1424 -23 C ATOM 3 C PRO A 299 63.366 68.320 48.067 1.00 71.26 C ANISOU 3 C PRO A 299 7147 9432 10495 -418 -1431 93 C ATOM 4 O PRO A 299 63.519 67.244 48.602 1.00 74.28 O ANISOU 4 O PRO A 299 7499 9939 10785 -173 -1601 153 O ATOM 5 CB PRO A 299 65.079 68.763 46.305 1.00 77.27 C ANISOU 5 CB PRO A 299 7372 10449 11538 -575 -1243 56 C ATOM 6 CG PRO A 299 66.057 67.670 46.431 1.00 81.71 C ANISOU 6 CG PRO A 299 7630 11329 12086 -329 -1418 80 C ATOM 7 CD PRO A 299 66.860 68.097 47.604 1.00 89.59 C ANISOU 7 CD PRO A 299 8451 12569 13021 -499 -1645 -69 C ATOM 0 HA PRO A 299 64.452 70.027 47.867 1.00 77.34 H new ATOM 0 HB2 PRO A 299 64.320 68.493 45.764 1.00 77.27 H new ATOM 0 HB3 PRO A 299 65.473 69.537 45.874 1.00 77.27 H new ATOM 0 HG2 PRO A 299 65.626 66.814 46.580 1.00 81.71 H new ATOM 0 HG3 PRO A 299 66.602 67.578 45.634 1.00 81.71 H new ATOM 0 HD2 PRO A 299 67.351 67.356 47.993 1.00 89.59 H new ATOM 0 HD3 PRO A 299 67.512 68.775 47.366 1.00 89.59 H new ATOM 15 N GLU A 300 62.173 68.869 47.764 1.00 53.35 N ANISOU 15 N GLU A 300 5190 6863 8219 -486 -1255 118 N ATOM 16 CA GLU A 300 60.869 68.288 48.065 1.00 53.74 C ANISOU 16 CA GLU A 300 5552 6712 8155 -305 -1234 214 C ATOM 17 C GLU A 300 60.184 67.784 46.797 1.00 63.63 C ANISOU 17 C GLU A 300 6894 7781 9503 -139 -1038 333 C ATOM 18 O GLU A 300 59.500 68.541 46.107 1.00 42.13 O ANISOU 18 O GLU A 300 4325 4848 6834 -239 -844 315 O ATOM 19 CB GLU A 300 59.990 69.320 48.773 1.00 59.05 C ANISOU 19 CB GLU A 300 6500 7214 8723 -489 -1202 129 C ATOM 20 CG GLU A 300 58.618 68.812 49.176 1.00 62.50 C ANISOU 20 CG GLU A 300 7235 7480 9031 -331 -1171 213 C ATOM 21 CD GLU A 300 57.881 69.789 50.074 1.00 84.54 C ANISOU 21 CD GLU A 300 10269 10169 11685 -483 -1176 114 C ATOM 22 OE1 GLU A 300 56.656 69.955 49.899 1.00 41.52 O ANISOU 22 OE1 GLU A 300 5063 4528 6187 -439 -1040 142 O ATOM 23 OE2 GLU A 300 58.526 70.390 50.958 1.00110.54 O ANISOU 23 OE2 GLU A 300 13507 13582 14909 -635 -1325 0 O ATOM 0 H GLU A 300 62.111 69.625 47.359 1.00 53.35 H new ATOM 0 HA GLU A 300 61.002 67.528 48.652 1.00 53.74 H new ATOM 0 HB2 GLU A 300 60.453 69.631 49.567 1.00 59.05 H new ATOM 0 HB3 GLU A 300 59.879 70.087 48.190 1.00 59.05 H new ATOM 0 HG2 GLU A 300 58.090 68.647 48.379 1.00 62.50 H new ATOM 0 HG3 GLU A 300 58.712 67.963 49.635 1.00 62.50 H new ATOM 30 N PHE A 301 60.345 66.498 46.486 1.00 65.44 N ANISOU 30 N PHE A 301 7048 8076 9739 132 -1097 449 N ATOM 31 CA PHE A 301 59.801 65.887 45.264 1.00 50.43 C ANISOU 31 CA PHE A 301 5216 6017 7929 318 -943 559 C ATOM 32 C PHE A 301 58.357 65.440 45.426 1.00 57.69 C ANISOU 32 C PHE A 301 6447 6705 8769 424 -895 637 C ATOM 33 O PHE A 301 57.991 64.775 46.368 1.00 54.80 O ANISOU 33 O PHE A 301 6193 6356 8271 508 -1029 683 O ATOM 34 CB PHE A 301 60.660 64.702 44.801 1.00 46.55 C ANISOU 34 CB PHE A 301 4515 5696 7477 574 -1037 641 C ATOM 35 CG PHE A 301 62.084 65.047 44.601 1.00 51.48 C ANISOU 35 CG PHE A 301 4790 6592 8178 492 -1078 565 C ATOM 36 CD1 PHE A 301 62.432 65.878 43.587 1.00 51.27 C ANISOU 36 CD1 PHE A 301 4643 6549 8290 339 -885 524 C ATOM 37 CD2 PHE A 301 63.087 64.556 45.442 1.00 66.70 C ANISOU 37 CD2 PHE A 301 6506 8804 10032 564 -1309 528 C ATOM 38 CE1 PHE A 301 63.742 66.237 43.381 1.00 55.55 C ANISOU 38 CE1 PHE A 301 4840 7358 8909 228 -901 453 C ATOM 39 CE2 PHE A 301 64.409 64.910 45.229 1.00 70.82 C ANISOU 39 CE2 PHE A 301 6664 9611 10632 474 -1342 442 C ATOM 40 CZ PHE A 301 64.726 65.769 44.198 1.00 59.40 C ANISOU 40 CZ PHE A 301 5083 8149 9336 287 -1128 406 C ATOM 0 H PHE A 301 60.778 65.946 46.983 1.00 65.44 H new ATOM 0 HA PHE A 301 59.823 66.580 44.586 1.00 50.43 H new ATOM 0 HB2 PHE A 301 60.596 63.990 45.457 1.00 46.55 H new ATOM 0 HB3 PHE A 301 60.299 64.355 43.970 1.00 46.55 H new ATOM 0 HD1 PHE A 301 61.773 66.210 43.022 1.00 51.27 H new ATOM 0 HD2 PHE A 301 62.866 63.990 46.146 1.00 66.70 H new ATOM 0 HE1 PHE A 301 63.959 66.805 42.677 1.00 55.55 H new ATOM 0 HE2 PHE A 301 65.079 64.570 45.778 1.00 70.82 H new ATOM 0 HZ PHE A 301 65.609 66.028 44.061 1.00 59.40 H new ATOM 50 N LEU A 302 57.554 65.792 44.426 1.00 54.44 N ANISOU 50 N LEU A 302 6170 6082 8434 414 -697 646 N ATOM 51 CA LEU A 302 56.141 65.427 44.362 1.00 49.86 C ANISOU 51 CA LEU A 302 5849 5296 7801 514 -632 709 C ATOM 52 C LEU A 302 55.943 63.923 44.275 1.00 49.73 C ANISOU 52 C LEU A 302 5842 5290 7763 764 -737 843 C ATOM 53 O LEU A 302 54.995 63.386 44.831 1.00 53.93 O ANISOU 53 O LEU A 302 6508 5814 8170 810 -839 898 O ATOM 54 CB LEU A 302 55.456 66.109 43.183 1.00 45.32 C ANISOU 54 CB LEU A 302 5383 4514 7325 505 -414 687 C ATOM 55 CG LEU A 302 55.160 67.595 43.385 1.00 45.16 C ANISOU 55 CG LEU A 302 5489 4391 7278 287 -298 563 C ATOM 56 CD1 LEU A 302 56.431 68.362 43.687 1.00 46.38 C ANISOU 56 CD1 LEU A 302 5478 4682 7461 70 -328 469 C ATOM 57 CD2 LEU A 302 54.481 68.167 42.158 1.00 57.47 C ANISOU 57 CD2 LEU A 302 7181 5737 8916 344 -96 552 C ATOM 0 H LEU A 302 57.819 66.258 43.754 1.00 54.44 H new ATOM 0 HA LEU A 302 55.734 65.734 45.187 1.00 49.86 H new ATOM 0 HB2 LEU A 302 56.016 66.008 42.397 1.00 45.32 H new ATOM 0 HB3 LEU A 302 54.622 65.648 42.999 1.00 45.32 H new ATOM 0 HG LEU A 302 54.563 67.685 44.144 1.00 45.16 H new ATOM 0 HD11 LEU A 302 56.221 69.301 43.811 1.00 46.38 H new ATOM 0 HD12 LEU A 302 56.836 68.012 44.496 1.00 46.38 H new ATOM 0 HD13 LEU A 302 57.051 68.265 42.947 1.00 46.38 H new ATOM 0 HD21 LEU A 302 54.299 69.109 42.299 1.00 57.47 H new ATOM 0 HD22 LEU A 302 55.061 68.062 41.388 1.00 57.47 H new ATOM 0 HD23 LEU A 302 53.647 67.697 42.000 1.00 57.47 H new ATOM 69 N GLY A 303 56.852 63.251 43.582 1.00 41.86 N ANISOU 69 N GLY A 303 4726 4301 6879 928 -704 898 N ATOM 70 CA GLY A 303 56.678 61.868 43.193 1.00 43.74 C ANISOU 70 CA GLY A 303 4931 4595 7095 1179 -842 1010 C ATOM 71 C GLY A 303 56.462 60.968 44.385 1.00 45.11 C ANISOU 71 C GLY A 303 5244 4782 7112 1251 -1015 1082 C ATOM 72 O GLY A 303 55.723 59.998 44.310 1.00 70.78 O ANISOU 72 O GLY A 303 8662 7898 10335 1405 -1038 1186 O ATOM 0 H GLY A 303 57.597 63.594 43.323 1.00 41.86 H new ATOM 0 HA2 GLY A 303 55.920 61.795 42.592 1.00 43.74 H new ATOM 0 HA3 GLY A 303 57.459 61.570 42.701 1.00 43.74 H new ATOM 76 N GLU A 304 57.120 61.284 45.484 1.00 44.80 N ANISOU 76 N GLU A 304 3923 6809 6290 556 -1027 171 N ATOM 77 CA GLU A 304 56.968 60.524 46.716 1.00 53.93 C ANISOU 77 CA GLU A 304 5136 8057 7298 722 -1200 282 C ATOM 78 C GLU A 304 55.535 60.586 47.270 1.00 64.20 C ANISOU 78 C GLU A 304 6736 9274 8382 662 -1217 290 C ATOM 79 O GLU A 304 55.088 59.666 47.947 1.00 58.16 O ANISOU 79 O GLU A 304 6097 8526 7474 795 -1300 410 O ATOM 80 CB GLU A 304 57.991 60.995 47.756 1.00 61.84 C ANISOU 80 CB GLU A 304 5865 9340 8293 717 -1445 243 C ATOM 81 CG GLU A 304 59.418 60.939 47.236 1.00 64.31 C ANISOU 81 CG GLU A 304 5829 9776 8829 771 -1435 232 C ATOM 82 CD GLU A 304 60.469 61.124 48.311 1.00 91.56 C ANISOU 82 CD GLU A 304 8982 13532 12275 802 -1704 221 C ATOM 83 OE1 GLU A 304 60.177 60.862 49.494 1.00 99.21 O ANISOU 83 OE1 GLU A 304 10017 14616 13063 912 -1911 301 O ATOM 84 OE2 GLU A 304 61.600 61.521 47.962 1.00104.64 O ANISOU 84 OE2 GLU A 304 10322 15325 14110 719 -1707 140 O ATOM 0 H GLU A 304 57.668 61.944 45.541 1.00 44.80 H new ATOM 0 HA GLU A 304 57.140 59.592 46.510 1.00 53.93 H new ATOM 0 HB2 GLU A 304 57.782 61.904 48.022 1.00 61.84 H new ATOM 0 HB3 GLU A 304 57.918 60.443 48.550 1.00 61.84 H new ATOM 0 HG2 GLU A 304 59.561 60.085 46.800 1.00 64.31 H new ATOM 0 HG3 GLU A 304 59.534 61.625 46.561 1.00 64.31 H new ATOM 91 N GLU A 305 54.832 61.679 46.990 1.00 55.84 N ANISOU 91 N GLU A 305 5788 8122 7306 466 -1129 167 N ATOM 92 CA GLU A 305 53.533 61.968 47.588 1.00 30.05 C ANISOU 92 CA GLU A 305 2765 4800 3852 396 -1133 144 C ATOM 93 C GLU A 305 52.426 61.179 46.901 1.00 31.80 C ANISOU 93 C GLU A 305 3212 4822 4051 455 -962 241 C ATOM 94 O GLU A 305 52.403 61.058 45.677 1.00 31.88 O ANISOU 94 O GLU A 305 3229 4690 4193 446 -802 245 O ATOM 95 CB GLU A 305 53.234 63.465 47.511 1.00 31.60 C ANISOU 95 CB GLU A 305 2973 4976 4058 180 -1116 -36 C ATOM 96 CG GLU A 305 54.178 64.317 48.341 1.00 35.43 C ANISOU 96 CG GLU A 305 3274 5654 4536 77 -1300 -159 C ATOM 97 CD GLU A 305 54.101 65.786 47.987 1.00 44.51 C ANISOU 97 CD GLU A 305 4423 6730 5760 -144 -1250 -338 C ATOM 98 OE1 GLU A 305 53.195 66.166 47.216 1.00 35.06 O ANISOU 98 OE1 GLU A 305 3388 5340 4592 -196 -1087 -354 O ATOM 99 OE2 GLU A 305 54.951 66.560 48.476 1.00 49.69 O ANISOU 99 OE2 GLU A 305 4919 7515 6445 -269 -1381 -459 O ATOM 0 H GLU A 305 55.100 62.282 46.439 1.00 55.84 H new ATOM 0 HA GLU A 305 53.566 61.699 48.519 1.00 30.05 H new ATOM 0 HB2 GLU A 305 53.283 63.750 46.585 1.00 31.60 H new ATOM 0 HB3 GLU A 305 52.324 63.621 47.808 1.00 31.60 H new ATOM 0 HG2 GLU A 305 53.969 64.203 49.281 1.00 35.43 H new ATOM 0 HG3 GLU A 305 55.087 64.004 48.213 1.00 35.43 H new ATOM 106 N ASP A 306 51.505 60.647 47.697 1.00 28.80 N ANISOU 106 N ASP A 306 3014 4439 3489 500 -996 317 N ATOM 107 CA ASP A 306 50.407 59.845 47.168 1.00 36.88 C ANISOU 107 CA ASP A 306 4245 5289 4479 532 -850 409 C ATOM 108 C ASP A 306 49.464 60.681 46.306 1.00 27.65 C ANISOU 108 C ASP A 306 3161 3998 3346 386 -711 309 C ATOM 109 O ASP A 306 49.135 61.817 46.645 1.00 32.02 O ANISOU 109 O ASP A 306 3711 4600 3857 271 -742 188 O ATOM 110 CB ASP A 306 49.622 59.195 48.309 1.00 41.29 C ANISOU 110 CB ASP A 306 4967 5895 4826 579 -913 511 C ATOM 111 CG ASP A 306 50.467 58.235 49.126 1.00 43.36 C ANISOU 111 CG ASP A 306 5183 6256 5036 748 -1053 651 C ATOM 112 OD1 ASP A 306 51.421 57.654 48.567 1.00 53.62 O ANISOU 112 OD1 ASP A 306 6366 7521 6487 871 -1049 707 O ATOM 113 OD2 ASP A 306 50.175 58.061 50.327 1.00 61.99 O ANISOU 113 OD2 ASP A 306 7626 8731 7196 769 -1162 709 O ATOM 0 H ASP A 306 51.498 60.739 48.552 1.00 28.80 H new ATOM 0 HA ASP A 306 50.796 59.154 46.609 1.00 36.88 H new ATOM 0 HB2 ASP A 306 49.271 59.887 48.891 1.00 41.29 H new ATOM 0 HB3 ASP A 306 48.860 58.719 47.943 1.00 41.29 H new ATOM 118 N ILE A 307 49.035 60.106 45.188 1.00 26.64 N ANISOU 118 N ILE A 307 3119 3707 3294 399 -564 358 N ATOM 119 CA ILE A 307 48.043 60.737 44.330 1.00 23.62 C ANISOU 119 CA ILE A 307 2831 3214 2929 282 -445 294 C ATOM 120 C ILE A 307 46.678 60.603 45.004 1.00 26.10 C ANISOU 120 C ILE A 307 3297 3534 3085 250 -443 321 C ATOM 121 O ILE A 307 46.280 59.493 45.360 1.00 23.95 O ANISOU 121 O ILE A 307 3126 3240 2735 312 -436 435 O ATOM 122 CB ILE A 307 48.039 60.108 42.926 1.00 29.44 C ANISOU 122 CB ILE A 307 3616 3798 3771 300 -302 335 C ATOM 123 CG1 ILE A 307 49.391 60.331 42.245 1.00 33.62 C ANISOU 123 CG1 ILE A 307 3978 4341 4455 325 -275 298 C ATOM 124 CG2 ILE A 307 46.909 60.686 42.075 1.00 20.29 C ANISOU 124 CG2 ILE A 307 2565 2543 2601 187 -205 289 C ATOM 125 CD1 ILE A 307 49.566 59.564 40.956 1.00 53.41 C ANISOU 125 CD1 ILE A 307 6532 6714 7046 371 -127 334 C ATOM 0 H ILE A 307 49.310 59.341 44.907 1.00 26.64 H new ATOM 0 HA ILE A 307 48.259 61.675 44.211 1.00 23.62 H new ATOM 0 HB ILE A 307 47.889 59.154 43.017 1.00 29.44 H new ATOM 0 HG12 ILE A 307 49.499 61.278 42.064 1.00 33.62 H new ATOM 0 HG13 ILE A 307 50.097 60.078 42.859 1.00 33.62 H new ATOM 0 HG21 ILE A 307 46.924 60.277 41.196 1.00 20.29 H new ATOM 0 HG22 ILE A 307 46.057 60.504 42.501 1.00 20.29 H new ATOM 0 HG23 ILE A 307 47.028 61.645 41.987 1.00 20.29 H new ATOM 0 HD11 ILE A 307 50.441 59.753 40.583 1.00 53.41 H new ATOM 0 HD12 ILE A 307 49.489 58.613 41.132 1.00 53.41 H new ATOM 0 HD13 ILE A 307 48.881 59.832 40.324 1.00 53.41 H new ATOM 137 N PRO A 308 45.955 61.725 45.189 1.00 20.72 N ANISOU 137 N PRO A 308 2635 2878 2361 156 -440 218 N ATOM 138 CA PRO A 308 44.636 61.639 45.831 1.00 19.67 C ANISOU 138 CA PRO A 308 2617 2775 2083 133 -419 234 C ATOM 139 C PRO A 308 43.688 60.683 45.113 1.00 27.96 C ANISOU 139 C PRO A 308 3776 3717 3130 125 -312 331 C ATOM 140 O PRO A 308 43.629 60.686 43.882 1.00 18.66 O ANISOU 140 O PRO A 308 2606 2427 2057 96 -236 324 O ATOM 141 CB PRO A 308 44.116 63.079 45.759 1.00 25.50 C ANISOU 141 CB PRO A 308 3341 3514 2834 54 -403 95 C ATOM 142 CG PRO A 308 45.340 63.918 45.694 1.00 24.09 C ANISOU 142 CG PRO A 308 3048 3353 2754 27 -470 3 C ATOM 143 CD PRO A 308 46.327 63.122 44.896 1.00 23.94 C ANISOU 143 CD PRO A 308 2960 3285 2851 72 -451 83 C ATOM 0 HA PRO A 308 44.696 61.288 46.733 1.00 19.67 H new ATOM 0 HB2 PRO A 308 43.555 63.213 44.979 1.00 25.50 H new ATOM 0 HB3 PRO A 308 43.579 63.299 46.536 1.00 25.50 H new ATOM 0 HG2 PRO A 308 45.157 64.772 45.272 1.00 24.09 H new ATOM 0 HG3 PRO A 308 45.681 64.108 46.582 1.00 24.09 H new ATOM 0 HD2 PRO A 308 46.262 63.318 43.948 1.00 23.94 H new ATOM 0 HD3 PRO A 308 47.240 63.313 45.163 1.00 23.94 H new ATOM 151 N ARG A 309 42.970 59.884 45.880 1.00 18.92 N ANISOU 151 N ARG A 309 2721 2612 1857 135 -308 417 N ATOM 152 CA ARG A 309 42.104 58.860 45.353 1.00 19.10 C ANISOU 152 CA ARG A 309 2850 2538 1869 103 -218 511 C ATOM 153 C ARG A 309 40.594 59.141 45.477 1.00 20.00 C ANISOU 153 C ARG A 309 3003 2694 1904 13 -153 491 C ATOM 154 O ARG A 309 39.788 58.369 45.097 1.00 21.03 O ANISOU 154 O ARG A 309 3204 2767 2021 -43 -86 557 O ATOM 155 CB ARG A 309 42.479 57.533 45.978 1.00 23.84 C ANISOU 155 CB ARG A 309 3533 3116 2408 172 -242 653 C ATOM 156 CG ARG A 309 43.698 56.886 45.334 1.00 30.86 C ANISOU 156 CG ARG A 309 4400 3902 3423 271 -254 694 C ATOM 157 CD ARG A 309 44.161 55.628 46.032 1.00 48.53 C ANISOU 157 CD ARG A 309 6722 6107 5610 379 -294 845 C ATOM 158 NE ARG A 309 45.386 55.099 45.483 1.00 30.74 N ANISOU 158 NE ARG A 309 4420 3772 3489 508 -305 873 N ATOM 159 CZ ARG A 309 45.427 54.105 44.632 1.00 44.88 C ANISOU 159 CZ ARG A 309 6310 5379 5363 544 -214 924 C ATOM 160 NH1 ARG A 309 44.320 53.564 44.200 1.00 22.26 N ANISOU 160 NH1 ARG A 309 3598 2397 2464 434 -119 947 N ATOM 161 NH2 ARG A 309 46.574 53.672 44.217 1.00 31.00 N ANISOU 161 NH2 ARG A 309 4492 3563 3723 686 -216 940 N ATOM 0 H ARG A 309 42.975 59.925 46.739 1.00 18.92 H new ATOM 0 HA ARG A 309 42.250 58.842 44.394 1.00 19.10 H new ATOM 0 HB2 ARG A 309 42.653 57.665 46.923 1.00 23.84 H new ATOM 0 HB3 ARG A 309 41.725 56.926 45.910 1.00 23.84 H new ATOM 0 HG2 ARG A 309 43.492 56.676 44.410 1.00 30.86 H new ATOM 0 HG3 ARG A 309 44.426 57.527 45.324 1.00 30.86 H new ATOM 0 HD2 ARG A 309 44.289 55.815 46.975 1.00 48.53 H new ATOM 0 HD3 ARG A 309 43.466 54.954 45.969 1.00 48.53 H new ATOM 0 HE ARG A 309 46.129 55.456 45.728 1.00 30.74 H new ATOM 0 HH11 ARG A 309 43.561 53.861 44.474 1.00 22.26 H new ATOM 0 HH12 ARG A 309 44.350 52.911 43.641 1.00 22.26 H new ATOM 0 HH21 ARG A 309 47.299 54.037 44.500 1.00 31.00 H new ATOM 0 HH22 ARG A 309 46.611 53.019 43.658 1.00 31.00 H new ATOM 175 N GLU A 310 40.260 60.284 46.020 1.00 19.27 N ANISOU 175 N GLU A 310 2852 2704 1765 3 -174 389 N ATOM 176 CA GLU A 310 38.883 60.693 46.161 1.00 22.97 C ANISOU 176 CA GLU A 310 3321 3233 2175 -52 -109 355 C ATOM 177 C GLU A 310 38.391 61.410 44.889 1.00 20.97 C ANISOU 177 C GLU A 310 3025 2900 2042 -84 -69 292 C ATOM 178 O GLU A 310 39.169 61.934 44.151 1.00 17.96 O ANISOU 178 O GLU A 310 2617 2440 1765 -67 -94 247 O ATOM 179 CB GLU A 310 38.692 61.598 47.364 1.00 30.74 C ANISOU 179 CB GLU A 310 4278 4358 3046 -27 -135 263 C ATOM 180 CG GLU A 310 39.772 62.616 47.580 1.00 48.41 C ANISOU 180 CG GLU A 310 6465 6602 5325 12 -222 149 C ATOM 181 CD GLU A 310 40.991 62.085 48.390 1.00 76.60 C ANISOU 181 CD GLU A 310 10040 10233 8832 56 -328 195 C ATOM 182 OE1 GLU A 310 42.052 62.026 47.819 1.00 53.56 O ANISOU 182 OE1 GLU A 310 7071 7250 6029 77 -379 201 O ATOM 183 OE2 GLU A 310 40.913 61.783 49.609 1.00 68.01 O ANISOU 183 OE2 GLU A 310 8996 9273 7572 74 -365 225 O ATOM 0 H GLU A 310 40.829 60.854 46.322 1.00 19.27 H new ATOM 0 HA GLU A 310 38.357 59.889 46.296 1.00 22.97 H new ATOM 0 HB2 GLU A 310 37.845 62.062 47.270 1.00 30.74 H new ATOM 0 HB3 GLU A 310 38.626 61.045 48.158 1.00 30.74 H new ATOM 0 HG2 GLU A 310 40.082 62.933 46.717 1.00 48.41 H new ATOM 0 HG3 GLU A 310 39.395 63.380 48.044 1.00 48.41 H new ATOM 190 N PRO A 311 37.085 61.404 44.682 1.00 16.74 N ANISOU 190 N PRO A 311 2479 2401 1481 -132 -8 300 N ATOM 191 CA PRO A 311 36.567 62.014 43.452 1.00 20.17 C ANISOU 191 CA PRO A 311 2877 2773 2014 -151 9 262 C ATOM 192 C PRO A 311 36.820 63.517 43.390 1.00 15.86 C ANISOU 192 C PRO A 311 2284 2214 1528 -92 -18 150 C ATOM 193 O PRO A 311 36.774 64.185 44.427 1.00 18.32 O ANISOU 193 O PRO A 311 2576 2604 1782 -50 -27 75 O ATOM 194 CB PRO A 311 35.062 61.723 43.512 1.00 21.59 C ANISOU 194 CB PRO A 311 3021 3043 2142 -206 65 293 C ATOM 195 CG PRO A 311 34.887 60.682 44.567 1.00 19.90 C ANISOU 195 CG PRO A 311 2851 2899 1811 -247 98 370 C ATOM 196 CD PRO A 311 36.002 60.882 45.533 1.00 17.62 C ANISOU 196 CD PRO A 311 2597 2628 1472 -174 48 348 C ATOM 0 HA PRO A 311 37.003 61.656 42.663 1.00 20.17 H new ATOM 0 HB2 PRO A 311 34.562 62.525 43.729 1.00 21.59 H new ATOM 0 HB3 PRO A 311 34.735 61.408 42.655 1.00 21.59 H new ATOM 0 HG2 PRO A 311 34.027 60.774 45.006 1.00 19.90 H new ATOM 0 HG3 PRO A 311 34.916 59.791 44.184 1.00 19.90 H new ATOM 0 HD2 PRO A 311 35.762 61.508 46.234 1.00 17.62 H new ATOM 0 HD3 PRO A 311 36.254 60.052 45.968 1.00 17.62 H new ATOM 204 N ARG A 312 37.084 64.033 42.193 1.00 15.23 N ANISOU 204 N ARG A 312 2206 2028 1552 -96 -26 137 N ATOM 205 CA ARG A 312 37.284 65.466 41.990 1.00 24.94 C ANISOU 205 CA ARG A 312 3418 3205 2853 -52 -43 47 C ATOM 206 C ARG A 312 36.363 65.982 40.895 1.00 15.18 C ANISOU 206 C ARG A 312 2173 1926 1669 -44 -29 66 C ATOM 207 O ARG A 312 35.956 65.226 40.012 1.00 16.00 O ANISOU 207 O ARG A 312 2290 2021 1767 -93 -20 142 O ATOM 208 CB ARG A 312 38.732 65.780 41.607 1.00 20.51 C ANISOU 208 CB ARG A 312 2872 2547 2372 -67 -71 24 C ATOM 209 CG ARG A 312 39.791 65.153 42.497 1.00 20.73 C ANISOU 209 CG ARG A 312 2887 2627 2363 -66 -110 25 C ATOM 210 CD ARG A 312 40.430 63.947 41.826 1.00 18.48 C ANISOU 210 CD ARG A 312 2621 2296 2104 -83 -93 118 C ATOM 211 NE ARG A 312 41.024 64.288 40.534 1.00 17.00 N ANISOU 211 NE ARG A 312 2438 2000 2021 -109 -62 118 N ATOM 212 CZ ARG A 312 41.328 63.402 39.590 1.00 21.47 C ANISOU 212 CZ ARG A 312 3041 2503 2613 -124 -18 181 C ATOM 213 NH1 ARG A 312 41.098 62.111 39.784 1.00 22.92 N ANISOU 213 NH1 ARG A 312 3269 2697 2743 -115 -5 248 N ATOM 214 NH2 ARG A 312 41.859 63.808 38.445 1.00 18.81 N ANISOU 214 NH2 ARG A 312 2714 2084 2349 -151 25 175 N ATOM 0 H ARG A 312 37.152 63.563 41.476 1.00 15.23 H new ATOM 0 HA ARG A 312 37.078 65.907 42.829 1.00 24.94 H new ATOM 0 HB2 ARG A 312 38.881 65.484 40.695 1.00 20.51 H new ATOM 0 HB3 ARG A 312 38.852 66.743 41.616 1.00 20.51 H new ATOM 0 HG2 ARG A 312 40.474 65.810 42.704 1.00 20.73 H new ATOM 0 HG3 ARG A 312 39.392 64.884 43.339 1.00 20.73 H new ATOM 0 HD2 ARG A 312 41.113 63.579 42.408 1.00 18.48 H new ATOM 0 HD3 ARG A 312 39.761 63.256 41.701 1.00 18.48 H new ATOM 0 HE ARG A 312 41.188 65.117 40.374 1.00 17.00 H new ATOM 0 HH11 ARG A 312 40.750 61.843 40.523 1.00 22.92 H new ATOM 0 HH12 ARG A 312 41.296 61.542 39.170 1.00 22.92 H new ATOM 0 HH21 ARG A 312 42.007 64.645 38.312 1.00 18.81 H new ATOM 0 HH22 ARG A 312 42.055 63.235 37.835 1.00 18.81 H new ATOM 228 N ARG A 313 36.045 67.270 40.953 1.00 19.91 N ANISOU 228 N ARG A 313 2759 2492 2312 21 -33 -4 N ATOM 229 CA ARG A 313 35.322 67.921 39.870 1.00 19.32 C ANISOU 229 CA ARG A 313 2686 2360 2296 55 -38 27 C ATOM 230 C ARG A 313 36.301 68.670 38.976 1.00 18.35 C ANISOU 230 C ARG A 313 2634 2078 2259 38 -50 29 C ATOM 231 O ARG A 313 37.104 69.470 39.452 1.00 16.10 O ANISOU 231 O ARG A 313 2376 1721 2022 43 -51 -48 O ATOM 232 CB ARG A 313 34.258 68.880 40.412 1.00 22.57 C ANISOU 232 CB ARG A 313 3045 2817 2714 164 -26 -34 C ATOM 233 CG ARG A 313 33.396 69.494 39.314 1.00 24.52 C ANISOU 233 CG ARG A 313 3277 3022 3017 228 -49 21 C ATOM 234 CD ARG A 313 32.331 70.435 39.856 1.00 25.25 C ANISOU 234 CD ARG A 313 3303 3158 3135 372 -30 -40 C ATOM 235 NE ARG A 313 31.416 69.773 40.785 1.00 29.31 N ANISOU 235 NE ARG A 313 3701 3867 3571 380 15 -61 N ATOM 236 CZ ARG A 313 31.501 69.832 42.113 1.00 35.16 C ANISOU 236 CZ ARG A 313 4433 4675 4251 401 70 -157 C ATOM 237 NH1 ARG A 313 32.464 70.529 42.706 1.00 30.81 N ANISOU 237 NH1 ARG A 313 3977 4017 3711 414 70 -257 N ATOM 238 NH2 ARG A 313 30.610 69.189 42.855 1.00 32.71 N ANISOU 238 NH2 ARG A 313 4018 4550 3858 394 128 -155 N ATOM 0 H ARG A 313 36.240 67.786 41.613 1.00 19.91 H new ATOM 0 HA ARG A 313 34.869 67.238 39.350 1.00 19.32 H new ATOM 0 HB2 ARG A 313 33.688 68.404 41.036 1.00 22.57 H new ATOM 0 HB3 ARG A 313 34.693 69.590 40.910 1.00 22.57 H new ATOM 0 HG2 ARG A 313 33.965 69.978 38.695 1.00 24.52 H new ATOM 0 HG3 ARG A 313 32.968 68.784 38.810 1.00 24.52 H new ATOM 0 HD2 ARG A 313 32.761 71.179 40.306 1.00 25.25 H new ATOM 0 HD3 ARG A 313 31.824 70.805 39.116 1.00 25.25 H new ATOM 0 HE ARG A 313 30.774 69.310 40.448 1.00 29.31 H new ATOM 0 HH11 ARG A 313 33.044 70.951 42.231 1.00 30.81 H new ATOM 0 HH12 ARG A 313 32.507 70.559 43.564 1.00 30.81 H new ATOM 0 HH21 ARG A 313 29.982 68.738 42.478 1.00 32.71 H new ATOM 0 HH22 ARG A 313 30.660 69.223 43.713 1.00 32.71 H new ATOM 252 N ILE A 314 36.233 68.399 37.677 1.00 19.03 N ANISOU 252 N ILE A 314 2758 2117 2356 1 -54 114 N ATOM 253 CA ILE A 314 37.061 69.093 36.703 1.00 16.79 C ANISOU 253 CA ILE A 314 2551 1691 2137 -26 -45 136 C ATOM 254 C ILE A 314 36.151 69.781 35.696 1.00 19.64 C ANISOU 254 C ILE A 314 2948 2009 2507 28 -72 202 C ATOM 255 O ILE A 314 35.288 69.143 35.098 1.00 20.92 O ANISOU 255 O ILE A 314 3087 2254 2608 22 -100 266 O ATOM 256 CB ILE A 314 38.035 68.135 35.992 1.00 18.24 C ANISOU 256 CB ILE A 314 2770 1855 2307 -117 -13 181 C ATOM 257 CG1 ILE A 314 38.957 67.448 37.001 1.00 20.24 C ANISOU 257 CG1 ILE A 314 2976 2155 2559 -140 -3 132 C ATOM 258 CG2 ILE A 314 38.872 68.887 34.965 1.00 19.98 C ANISOU 258 CG2 ILE A 314 3064 1946 2584 -156 21 209 C ATOM 259 CD1 ILE A 314 38.449 66.106 37.489 1.00 19.61 C ANISOU 259 CD1 ILE A 314 2871 2179 2400 -147 -7 161 C ATOM 0 H ILE A 314 35.707 67.809 37.338 1.00 19.03 H new ATOM 0 HA ILE A 314 37.605 69.751 37.164 1.00 16.79 H new ATOM 0 HB ILE A 314 37.508 67.459 35.538 1.00 18.24 H new ATOM 0 HG12 ILE A 314 39.830 67.325 36.596 1.00 20.24 H new ATOM 0 HG13 ILE A 314 39.079 68.034 37.764 1.00 20.24 H new ATOM 0 HG21 ILE A 314 39.479 68.270 34.527 1.00 19.98 H new ATOM 0 HG22 ILE A 314 38.288 69.289 34.303 1.00 19.98 H new ATOM 0 HG23 ILE A 314 39.383 69.581 35.410 1.00 19.98 H new ATOM 0 HD11 ILE A 314 39.081 65.731 38.122 1.00 19.61 H new ATOM 0 HD12 ILE A 314 37.589 66.223 37.922 1.00 19.61 H new ATOM 0 HD13 ILE A 314 38.351 65.503 36.735 1.00 19.61 H new ATOM 271 N VAL A 315 36.348 71.081 35.511 1.00 20.96 N ANISOU 271 N VAL A 315 3174 2042 2747 76 -70 190 N ATOM 272 CA VAL A 315 35.571 71.835 34.536 1.00 17.97 C ANISOU 272 CA VAL A 315 2847 1602 2379 149 -105 274 C ATOM 273 C VAL A 315 36.485 72.285 33.406 1.00 25.65 C ANISOU 273 C VAL A 315 3945 2428 3372 76 -76 345 C ATOM 274 O VAL A 315 37.396 73.087 33.608 1.00 24.60 O ANISOU 274 O VAL A 315 3871 2158 3319 40 -34 304 O ATOM 275 CB VAL A 315 34.866 73.034 35.185 1.00 23.60 C ANISOU 275 CB VAL A 315 3551 2255 3161 293 -119 222 C ATOM 276 CG1 VAL A 315 34.020 73.773 34.155 1.00 27.55 C ANISOU 276 CG1 VAL A 315 4099 2694 3675 400 -170 332 C ATOM 277 CG2 VAL A 315 34.003 72.569 36.348 1.00 22.96 C ANISOU 277 CG2 VAL A 315 3339 2340 3045 358 -119 144 C ATOM 0 H VAL A 315 36.929 71.546 35.942 1.00 20.96 H new ATOM 0 HA VAL A 315 34.877 71.260 34.177 1.00 17.97 H new ATOM 0 HB VAL A 315 35.539 73.645 35.524 1.00 23.60 H new ATOM 0 HG11 VAL A 315 33.581 74.527 34.578 1.00 27.55 H new ATOM 0 HG12 VAL A 315 34.589 74.092 33.437 1.00 27.55 H new ATOM 0 HG13 VAL A 315 33.351 73.171 33.793 1.00 27.55 H new ATOM 0 HG21 VAL A 315 33.563 73.334 36.750 1.00 22.96 H new ATOM 0 HG22 VAL A 315 33.335 71.944 36.026 1.00 22.96 H new ATOM 0 HG23 VAL A 315 34.561 72.132 37.011 1.00 22.96 H new ATOM 287 N ILE A 316 36.229 71.759 32.214 1.00 24.56 N ANISOU 287 N ILE A 316 3850 2328 3153 40 -95 447 N ATOM 288 CA ILE A 316 37.025 72.084 31.041 1.00 19.12 C ANISOU 288 CA ILE A 316 3289 1526 2449 -36 -52 527 C ATOM 289 C ILE A 316 36.204 72.935 30.086 1.00 22.41 C ANISOU 289 C ILE A 316 3796 1883 2836 49 -113 647 C ATOM 290 O ILE A 316 35.075 72.586 29.742 1.00 23.40 O ANISOU 290 O ILE A 316 3875 2128 2889 114 -200 698 O ATOM 291 CB ILE A 316 37.527 70.808 30.346 1.00 19.72 C ANISOU 291 CB ILE A 316 3378 1686 2430 -147 -12 545 C ATOM 292 CG1 ILE A 316 38.454 70.032 31.284 1.00 30.07 C ANISOU 292 CG1 ILE A 316 4606 3034 3785 -204 47 445 C ATOM 293 CG2 ILE A 316 38.252 71.146 29.046 1.00 22.82 C ANISOU 293 CG2 ILE A 316 3907 1983 2778 -221 51 632 C ATOM 294 CD1 ILE A 316 38.763 68.627 30.819 1.00 43.37 C ANISOU 294 CD1 ILE A 316 6294 4796 5389 -275 84 446 C ATOM 0 H ILE A 316 35.589 71.204 32.064 1.00 24.56 H new ATOM 0 HA ILE A 316 37.804 72.589 31.321 1.00 19.12 H new ATOM 0 HB ILE A 316 36.760 70.255 30.129 1.00 19.72 H new ATOM 0 HG12 ILE A 316 39.286 70.522 31.379 1.00 30.07 H new ATOM 0 HG13 ILE A 316 38.047 69.990 32.164 1.00 30.07 H new ATOM 0 HG21 ILE A 316 38.560 70.328 28.625 1.00 22.82 H new ATOM 0 HG22 ILE A 316 37.645 71.609 28.448 1.00 22.82 H new ATOM 0 HG23 ILE A 316 39.013 71.716 29.238 1.00 22.82 H new ATOM 0 HD11 ILE A 316 39.352 68.197 31.458 1.00 43.37 H new ATOM 0 HD12 ILE A 316 37.939 68.121 30.748 1.00 43.37 H new ATOM 0 HD13 ILE A 316 39.197 68.661 29.952 1.00 43.37 H new ATOM 306 N HIS A 317 36.784 74.053 29.663 1.00 22.55 N ANISOU 306 N HIS A 317 3940 1718 2912 43 -73 700 N ATOM 307 CA HIS A 317 36.164 74.922 28.673 1.00 27.62 C ANISOU 307 CA HIS A 317 4703 2270 3520 126 -127 843 C ATOM 308 C HIS A 317 36.925 74.789 27.362 1.00 30.09 C ANISOU 308 C HIS A 317 5159 2541 3735 1 -67 951 C ATOM 309 O HIS A 317 38.049 75.274 27.238 1.00 35.94 O ANISOU 309 O HIS A 317 5980 3143 4531 -103 40 950 O ATOM 310 CB HIS A 317 36.155 76.372 29.159 1.00 44.66 C ANISOU 310 CB HIS A 317 6935 4218 5816 223 -118 838 C ATOM 311 CG HIS A 317 35.623 76.532 30.548 1.00 52.38 C ANISOU 311 CG HIS A 317 7787 5228 6885 331 -140 698 C ATOM 312 ND1 HIS A 317 34.277 76.632 30.824 1.00 44.15 N ANISOU 312 ND1 HIS A 317 6654 4280 5842 512 -226 707 N ATOM 313 CD2 HIS A 317 36.258 76.597 31.745 1.00 50.87 C ANISOU 313 CD2 HIS A 317 7541 5009 6778 283 -85 541 C ATOM 314 CE1 HIS A 317 34.105 76.756 32.129 1.00 41.35 C ANISOU 314 CE1 HIS A 317 6205 3945 5562 571 -202 560 C ATOM 315 NE2 HIS A 317 35.291 76.738 32.707 1.00 45.24 N ANISOU 315 NE2 HIS A 317 6728 4363 6096 432 -125 458 N ATOM 0 H HIS A 317 37.549 74.328 29.943 1.00 22.55 H new ATOM 0 HA HIS A 317 35.241 74.657 28.536 1.00 27.62 H new ATOM 0 HB2 HIS A 317 37.059 76.723 29.124 1.00 44.66 H new ATOM 0 HB3 HIS A 317 35.619 76.906 28.552 1.00 44.66 H new ATOM 0 HD2 HIS A 317 37.176 76.554 31.887 1.00 50.87 H new ATOM 0 HE1 HIS A 317 33.288 76.841 32.565 1.00 41.35 H new ATOM 0 HE2 HIS A 317 35.435 76.804 33.552 1.00 45.24 H new ATOM 323 N ARG A 318 36.312 74.120 26.391 1.00 26.51 N ANISOU 323 N ARG A 318 3933 3008 3131 1046 262 660 N ATOM 324 CA ARG A 318 36.998 73.774 25.149 1.00 21.78 C ANISOU 324 CA ARG A 318 3298 2459 2519 904 230 717 C ATOM 325 C ARG A 318 36.282 74.295 23.907 1.00 27.51 C ANISOU 325 C ARG A 318 4031 3254 3168 1067 227 879 C ATOM 326 O ARG A 318 36.639 73.931 22.788 1.00 30.67 O ANISOU 326 O ARG A 318 4384 3748 3521 984 198 936 O ATOM 327 CB ARG A 318 37.167 72.253 25.049 1.00 21.23 C ANISOU 327 CB ARG A 318 3020 2602 2444 754 168 648 C ATOM 328 CG ARG A 318 35.911 71.429 25.353 1.00 22.12 C ANISOU 328 CG ARG A 318 2942 2940 2523 843 130 641 C ATOM 329 CD ARG A 318 34.874 71.498 24.240 1.00 24.78 C ANISOU 329 CD ARG A 318 3177 3461 2775 973 87 759 C ATOM 330 NE ARG A 318 33.750 70.588 24.468 1.00 32.93 N ANISOU 330 NE ARG A 318 3989 4742 3782 995 39 747 N ATOM 331 CZ ARG A 318 33.703 69.320 24.064 1.00 23.08 C ANISOU 331 CZ ARG A 318 2600 3653 2515 832 -27 695 C ATOM 332 NH1 ARG A 318 34.718 68.780 23.402 1.00 28.22 N ANISOU 332 NH1 ARG A 318 3309 4253 3161 670 -47 648 N ATOM 333 NH2 ARG A 318 32.628 68.585 24.324 1.00 23.30 N ANISOU 333 NH2 ARG A 318 2433 3892 2528 827 -65 691 N ATOM 0 H ARG A 318 35.495 73.856 26.431 1.00 26.51 H new ATOM 0 HA ARG A 318 37.866 74.207 25.179 1.00 21.78 H new ATOM 0 HB2 ARG A 318 37.469 72.035 24.153 1.00 21.23 H new ATOM 0 HB3 ARG A 318 37.870 71.980 25.660 1.00 21.23 H new ATOM 0 HG2 ARG A 318 36.164 70.504 25.497 1.00 22.12 H new ATOM 0 HG3 ARG A 318 35.514 71.746 26.179 1.00 22.12 H new ATOM 0 HD2 ARG A 318 34.542 72.406 24.167 1.00 24.78 H new ATOM 0 HD3 ARG A 318 35.296 71.281 23.394 1.00 24.78 H new ATOM 0 HE ARG A 318 33.069 70.895 24.895 1.00 32.93 H new ATOM 0 HH11 ARG A 318 35.417 69.250 23.229 1.00 28.22 H new ATOM 0 HH12 ARG A 318 34.677 67.960 23.146 1.00 28.22 H new ATOM 0 HH21 ARG A 318 31.966 68.928 24.752 1.00 23.30 H new ATOM 0 HH22 ARG A 318 32.594 67.766 24.065 1.00 23.30 H new ATOM 347 N GLY A 319 35.280 75.147 24.098 1.00 26.86 N ANISOU 347 N GLY A 319 4010 3138 3057 1320 260 957 N ATOM 348 CA GLY A 319 34.521 75.680 22.980 1.00 41.77 C ANISOU 348 CA GLY A 319 5897 5115 4857 1520 250 1129 C ATOM 349 C GLY A 319 34.040 74.591 22.039 1.00 32.69 C ANISOU 349 C GLY A 319 4501 4298 3624 1472 150 1160 C ATOM 350 O GLY A 319 33.236 73.741 22.424 1.00 29.25 O ANISOU 350 O GLY A 319 3848 4090 3176 1481 96 1107 O ATOM 0 H GLY A 319 35.025 75.428 24.870 1.00 26.86 H new ATOM 0 HA2 GLY A 319 33.757 76.174 23.317 1.00 41.77 H new ATOM 0 HA3 GLY A 319 35.072 76.309 22.488 1.00 41.77 H new ATOM 354 N SER A 320 34.522 74.610 20.801 1.00 28.42 N ANISOU 354 N SER A 320 3998 3785 3014 1408 129 1242 N ATOM 355 CA SER A 320 34.184 73.612 19.804 1.00 24.58 C ANISOU 355 CA SER A 320 3322 3593 2423 1344 30 1251 C ATOM 356 C SER A 320 35.431 72.923 19.247 1.00 26.83 C ANISOU 356 C SER A 320 3640 3848 2708 1094 33 1180 C ATOM 357 O SER A 320 35.555 72.683 18.077 1.00 24.64 O ANISOU 357 O SER A 320 3348 3696 2317 1070 -2 1237 O ATOM 358 CB SER A 320 33.371 74.240 18.670 1.00 29.21 C ANISOU 358 CB SER A 320 3891 4301 2907 1495 0 1364 C ATOM 359 OG SER A 320 32.053 74.445 19.031 1.00 33.70 O ANISOU 359 OG SER A 320 4323 5009 3472 1660 -20 1368 O ATOM 0 H SER A 320 35.063 75.214 20.516 1.00 28.42 H new ATOM 0 HA SER A 320 33.644 72.935 20.241 1.00 24.58 H new ATOM 0 HB2 SER A 320 33.771 75.086 18.416 1.00 29.21 H new ATOM 0 HB3 SER A 320 33.406 73.664 17.890 1.00 29.21 H new ATOM 0 HG SER A 320 31.693 73.707 19.209 1.00 33.70 H new ATOM 365 N ATHR A 321 36.232 72.411 20.174 0.80 24.34 N ANISOU 365 N ATHR A 321 3328 3416 2503 920 64 1039 N ATOM 366 N BTHR A 321 36.335 72.481 20.115 0.20 24.50 N ANISOU 366 N BTHR A 321 3365 3419 2524 915 71 1045 N ATOM 367 CA ATHR A 321 37.387 71.589 19.830 0.80 25.72 C ANISOU 367 CA ATHR A 321 3493 3592 2686 706 72 955 C ATOM 368 CA BTHR A 321 37.426 71.588 19.764 0.20 27.92 C ANISOU 368 CA BTHR A 321 3774 3872 2961 702 73 958 C ATOM 369 C ATHR A 321 37.385 70.335 20.701 0.80 23.39 C ANISOU 369 C ATHR A 321 3064 3371 2452 588 33 799 C ATOM 370 C BTHR A 321 37.418 70.362 20.687 0.20 25.94 C ANISOU 370 C BTHR A 321 3391 3688 2775 587 35 801 C ATOM 371 O ATHR A 321 36.642 70.259 21.678 0.80 26.41 O ANISOU 371 O ATHR A 321 3382 3768 2883 649 19 761 O ATOM 372 O BTHR A 321 36.671 70.334 21.626 0.20 25.64 O ANISOU 372 O BTHR A 321 3295 3664 2783 653 22 769 O ATOM 373 CB ATHR A 321 38.714 72.347 20.032 0.80 26.47 C ANISOU 373 CB ATHR A 321 3752 3446 2861 600 167 967 C ATOM 374 CB BTHR A 321 38.786 72.285 19.910 0.20 29.25 C ANISOU 374 CB BTHR A 321 4100 3809 3204 589 167 969 C ATOM 375 OG1ATHR A 321 39.795 71.579 19.486 0.80 35.66 O ANISOU 375 OG1ATHR A 321 4876 4664 4007 432 183 918 O ATOM 376 OG1BTHR A 321 39.031 72.539 21.284 0.20 23.28 O ANISOU 376 OG1BTHR A 321 3383 2893 2568 551 192 879 O ATOM 377 CG2ATHR A 321 38.973 72.598 21.513 0.80 25.53 C ANISOU 377 CG2ATHR A 321 3674 3159 2868 559 192 867 C ATOM 378 CG2BTHR A 321 38.774 73.620 19.214 0.20 22.18 C ANISOU 378 CG2BTHR A 321 3378 2783 2269 695 226 1137 C ATOM 0 H ATHR A 321 36.122 72.530 21.019 0.80 24.50 H new ATOM 0 H BTHR A 321 36.328 72.700 20.947 0.20 24.50 H new ATOM 0 HA ATHR A 321 37.319 71.355 18.891 0.80 27.92 H new ATOM 0 HA BTHR A 321 37.298 71.322 18.840 0.20 27.92 H new ATOM 0 HB ATHR A 321 38.652 73.201 19.577 0.80 29.25 H new ATOM 0 HB BTHR A 321 39.464 71.710 19.523 0.20 29.25 H new ATOM 0 HG1ATHR A 321 40.517 71.994 19.596 0.80 23.28 H new ATOM 0 HG1BTHR A 321 38.394 72.983 21.605 0.20 23.28 H new ATOM 0 HG21ATHR A 321 39.811 73.075 21.619 0.80 22.18 H new ATOM 0 HG21BTHR A 321 39.639 74.046 19.316 0.20 22.18 H new ATOM 0 HG22ATHR A 321 38.250 73.129 21.883 0.80 22.18 H new ATOM 0 HG22BTHR A 321 38.586 73.492 18.271 0.20 22.18 H new ATOM 0 HG23ATHR A 321 39.023 71.750 21.981 0.80 22.18 H new ATOM 0 HG23BTHR A 321 38.089 74.183 19.606 0.20 22.18 H new ATOM 393 N GLY A 322 38.208 69.352 20.346 1.00 23.04 N ANISOU 393 N GLY A 322 2986 3371 2397 436 29 719 N ATOM 394 CA GLY A 322 38.306 68.133 21.126 1.00 16.19 C ANISOU 394 CA GLY A 322 2027 2540 1585 332 4 586 C ATOM 395 C GLY A 322 38.804 68.377 22.536 1.00 22.91 C ANISOU 395 C GLY A 322 2913 3239 2553 304 47 530 C ATOM 396 O GLY A 322 39.495 69.358 22.795 1.00 21.42 O ANISOU 396 O GLY A 322 2831 2897 2409 302 99 561 O ATOM 0 H AGLY A 322 38.718 69.376 19.654 0.80 23.04 H new ATOM 0 H BGLY A 322 38.707 69.358 19.646 0.20 23.04 H new ATOM 0 HA2 GLY A 322 37.435 67.707 21.164 1.00 16.19 H new ATOM 0 HA3 GLY A 322 38.905 67.515 20.678 1.00 16.19 H new ATOM 400 N LEU A 323 38.448 67.481 23.451 1.00 20.89 N ANISOU 400 N LEU A 323 2576 3025 2337 271 24 447 N ATOM 401 CA LEU A 323 38.881 67.586 24.841 1.00 20.89 C ANISOU 401 CA LEU A 323 2605 2914 2418 253 54 388 C ATOM 402 C LEU A 323 40.367 67.284 24.973 1.00 16.53 C ANISOU 402 C LEU A 323 2087 2289 1905 138 79 335 C ATOM 403 O LEU A 323 41.034 67.775 25.885 1.00 18.00 O ANISOU 403 O LEU A 323 2323 2373 2144 110 97 303 O ATOM 404 CB LEU A 323 38.070 66.638 25.722 1.00 18.16 C ANISOU 404 CB LEU A 323 2162 2651 2086 252 33 339 C ATOM 405 CG LEU A 323 36.648 67.118 26.005 1.00 14.30 C ANISOU 405 CG LEU A 323 1610 2246 1575 381 28 395 C ATOM 406 CD1 LEU A 323 35.729 65.952 26.339 1.00 19.91 C ANISOU 406 CD1 LEU A 323 2180 3105 2281 330 2 372 C ATOM 407 CD2 LEU A 323 36.664 68.128 27.139 1.00 23.68 C ANISOU 407 CD2 LEU A 323 2888 3312 2797 482 79 390 C ATOM 0 H LEU A 323 37.951 66.799 23.285 1.00 20.89 H new ATOM 0 HA LEU A 323 38.729 68.497 25.136 1.00 20.89 H new ATOM 0 HB2 LEU A 323 38.029 65.769 25.294 1.00 18.16 H new ATOM 0 HB3 LEU A 323 38.535 66.517 26.565 1.00 18.16 H new ATOM 0 HG LEU A 323 36.302 67.544 25.205 1.00 14.30 H new ATOM 0 HD11 LEU A 323 34.835 66.284 26.514 1.00 19.91 H new ATOM 0 HD12 LEU A 323 35.704 65.335 25.591 1.00 19.91 H new ATOM 0 HD13 LEU A 323 36.062 65.492 27.125 1.00 19.91 H new ATOM 0 HD21 LEU A 323 35.760 68.431 27.316 1.00 23.68 H new ATOM 0 HD22 LEU A 323 37.028 67.713 27.937 1.00 23.68 H new ATOM 0 HD23 LEU A 323 37.215 68.886 26.890 1.00 23.68 H new ATOM 419 N GLY A 324 40.882 66.469 24.059 1.00 13.03 N ANISOU 419 N GLY A 324 1612 1915 1424 77 77 323 N ATOM 420 CA GLY A 324 42.294 66.144 24.042 1.00 15.44 C ANISOU 420 CA GLY A 324 1920 2193 1755 -2 112 289 C ATOM 421 C GLY A 324 42.696 65.028 24.987 1.00 16.35 C ANISOU 421 C GLY A 324 1988 2317 1907 -28 103 210 C ATOM 422 O GLY A 324 43.724 65.120 25.658 1.00 14.78 O ANISOU 422 O GLY A 324 1778 2086 1752 -64 116 186 O ATOM 0 H GLY A 324 40.423 66.093 23.437 1.00 13.03 H new ATOM 0 HA2 GLY A 324 42.545 65.894 23.139 1.00 15.44 H new ATOM 0 HA3 GLY A 324 42.800 66.940 24.267 1.00 15.44 H new ATOM 426 N PHE A 325 41.889 63.973 25.060 1.00 13.51 N ANISOU 426 N PHE A 325 1601 2005 1526 -17 78 175 N ATOM 427 CA PHE A 325 42.335 62.753 25.725 1.00 14.12 C ANISOU 427 CA PHE A 325 1666 2073 1626 -33 84 118 C ATOM 428 C PHE A 325 41.615 61.524 25.181 1.00 14.54 C ANISOU 428 C PHE A 325 1727 2157 1640 -60 70 82 C ATOM 429 O PHE A 325 40.575 61.632 24.529 1.00 15.08 O ANISOU 429 O PHE A 325 1779 2284 1667 -77 34 94 O ATOM 430 CB PHE A 325 42.167 62.856 27.252 1.00 10.98 C ANISOU 430 CB PHE A 325 1260 1637 1273 -13 75 109 C ATOM 431 CG PHE A 325 40.741 62.936 27.732 1.00 16.75 C ANISOU 431 CG PHE A 325 1973 2391 2000 11 60 127 C ATOM 432 CD1 PHE A 325 40.014 61.785 27.992 1.00 17.43 C ANISOU 432 CD1 PHE A 325 2036 2504 2083 -19 59 115 C ATOM 433 CD2 PHE A 325 40.146 64.164 27.977 1.00 18.96 C ANISOU 433 CD2 PHE A 325 2261 2663 2280 66 59 161 C ATOM 434 CE1 PHE A 325 38.709 61.858 28.458 1.00 21.12 C ANISOU 434 CE1 PHE A 325 2449 3027 2547 -9 57 145 C ATOM 435 CE2 PHE A 325 38.845 64.244 28.445 1.00 16.52 C ANISOU 435 CE2 PHE A 325 1909 2407 1961 117 60 186 C ATOM 436 CZ PHE A 325 38.126 63.088 28.686 1.00 18.96 C ANISOU 436 CZ PHE A 325 2155 2780 2267 72 59 182 C ATOM 0 H PHE A 325 41.093 63.942 24.737 1.00 13.51 H new ATOM 0 HA PHE A 325 43.280 62.650 25.534 1.00 14.12 H new ATOM 0 HB2 PHE A 325 42.590 62.086 27.663 1.00 10.98 H new ATOM 0 HB3 PHE A 325 42.644 63.641 27.564 1.00 10.98 H new ATOM 0 HD1 PHE A 325 40.406 60.953 27.852 1.00 17.43 H new ATOM 0 HD2 PHE A 325 40.627 64.945 27.825 1.00 18.96 H new ATOM 0 HE1 PHE A 325 38.227 61.078 28.617 1.00 21.12 H new ATOM 0 HE2 PHE A 325 38.455 65.075 28.597 1.00 16.52 H new ATOM 0 HZ PHE A 325 37.252 63.139 29.001 1.00 18.96 H new ATOM 446 N AASN A 326 42.192 60.356 25.447 0.38 13.46 N ANISOU 446 N AASN A 326 1622 1980 1513 -63 93 37 N ATOM 447 N BASN A 326 42.197 60.355 25.434 0.62 11.90 N ANISOU 447 N BASN A 326 1424 1782 1314 -63 94 36 N ATOM 448 CA AASN A 326 41.625 59.089 25.004 0.38 16.60 C ANISOU 448 CA AASN A 326 2071 2358 1880 -111 87 -16 C ATOM 449 CA BASN A 326 41.628 59.085 24.995 0.62 12.15 C ANISOU 449 CA BASN A 326 1507 1794 1315 -111 87 -16 C ATOM 450 C AASN A 326 40.995 58.348 26.174 0.38 13.12 C ANISOU 450 C AASN A 326 1635 1864 1486 -140 87 -12 C ATOM 451 C BASN A 326 40.999 58.346 26.169 0.62 12.22 C ANISOU 451 C BASN A 326 1522 1750 1372 -140 87 -12 C ATOM 452 O AASN A 326 41.435 58.488 27.314 0.38 13.74 O ANISOU 452 O AASN A 326 1701 1915 1604 -89 107 18 O ATOM 453 O BASN A 326 41.447 58.484 27.305 0.62 11.71 O ANISOU 453 O BASN A 326 1445 1658 1347 -88 107 17 O ATOM 454 CB AASN A 326 42.698 58.215 24.356 0.38 21.75 C ANISOU 454 CB AASN A 326 2797 2969 2497 -74 135 -67 C ATOM 455 CB BASN A 326 42.700 58.205 24.351 0.62 17.46 C ANISOU 455 CB BASN A 326 2254 2425 1954 -74 135 -67 C ATOM 456 CG AASN A 326 43.183 58.770 23.036 0.38 28.66 C ANISOU 456 CG AASN A 326 3673 3916 3300 -56 150 -67 C ATOM 457 CG BASN A 326 42.735 58.332 22.842 0.62 27.82 C ANISOU 457 CG BASN A 326 3599 3798 3174 -85 134 -97 C ATOM 458 OD1AASN A 326 42.913 59.921 22.693 0.38 25.63 O ANISOU 458 OD1AASN A 326 3239 3596 2903 -65 128 -12 O ATOM 459 OD1BASN A 326 42.596 59.424 22.292 0.62 24.82 O ANISOU 459 OD1BASN A 326 3170 3496 2765 -85 117 -47 O ATOM 460 ND2AASN A 326 43.900 57.948 22.281 0.38 36.67 N ANISOU 460 ND2AASN A 326 4761 4914 4257 -14 201 -123 N ATOM 461 ND2BASN A 326 42.914 57.206 22.162 0.62 32.14 N ANISOU 461 ND2BASN A 326 4252 4299 3663 -86 158 -178 N ATOM 0 H AASN A 326 42.925 60.277 25.890 0.38 11.90 H new ATOM 0 H BASN A 326 42.936 60.276 25.867 0.62 11.90 H new ATOM 0 HA AASN A 326 40.939 59.281 24.346 0.38 12.15 H new ATOM 0 HA BASN A 326 40.942 59.278 24.337 0.62 12.15 H new ATOM 0 HB2AASN A 326 43.450 58.129 24.963 0.38 17.46 H new ATOM 0 HB2BASN A 326 43.568 58.444 24.712 0.62 17.46 H new ATOM 0 HB3AASN A 326 42.343 57.323 24.217 0.38 17.46 H new ATOM 0 HB3BASN A 326 42.539 57.279 24.590 0.62 17.46 H new ATOM 0 HD21AASN A 326 44.196 58.213 21.518 0.38 32.14 H new ATOM 0 HD21BASN A 326 42.936 57.222 21.302 0.62 32.14 H new ATOM 0 HD22AASN A 326 44.069 57.150 22.554 0.38 32.14 H new ATOM 0 HD22BASN A 326 43.008 56.461 22.581 0.62 32.14 H new ATOM 474 N ILE A 327 39.966 57.557 25.884 1.00 14.37 N ANISOU 474 N ILE A 327 1812 2019 1630 -235 64 -41 N ATOM 475 CA ILE A 327 39.316 56.743 26.902 1.00 16.37 C ANISOU 475 CA ILE A 327 2077 2217 1925 -293 82 -23 C ATOM 476 C ILE A 327 39.384 55.276 26.510 1.00 16.76 C ANISOU 476 C ILE A 327 2260 2143 1966 -370 102 -87 C ATOM 477 O ILE A 327 39.410 54.943 25.328 1.00 15.06 O ANISOU 477 O ILE A 327 2103 1923 1696 -416 78 -162 O ATOM 478 CB ILE A 327 37.855 57.168 27.127 1.00 15.32 C ANISOU 478 CB ILE A 327 1825 2196 1798 -367 47 18 C ATOM 479 CG1 ILE A 327 37.060 57.073 25.821 1.00 18.88 C ANISOU 479 CG1 ILE A 327 2240 2739 2194 -469 -22 -25 C ATOM 480 CG2 ILE A 327 37.804 58.573 27.700 1.00 22.85 C ANISOU 480 CG2 ILE A 327 2693 3228 2761 -256 47 78 C ATOM 481 CD1 ILE A 327 35.567 57.213 26.007 1.00 19.22 C ANISOU 481 CD1 ILE A 327 2137 2925 2242 -558 -61 18 C ATOM 0 H AILE A 327 39.628 57.478 25.097 0.38 14.37 H new ATOM 0 H BILE A 327 39.625 57.480 25.098 0.62 14.37 H new ATOM 0 HA ILE A 327 39.789 56.877 27.738 1.00 16.37 H new ATOM 0 HB ILE A 327 37.446 56.564 27.766 1.00 15.32 H new ATOM 0 HG12 ILE A 327 37.368 57.763 25.213 1.00 18.88 H new ATOM 0 HG13 ILE A 327 37.247 56.220 25.399 1.00 18.88 H new ATOM 0 HG21 ILE A 327 36.880 58.833 27.839 1.00 22.85 H new ATOM 0 HG22 ILE A 327 38.276 58.595 28.547 1.00 22.85 H new ATOM 0 HG23 ILE A 327 38.224 59.191 27.081 1.00 22.85 H new ATOM 0 HD11 ILE A 327 35.126 57.144 25.146 1.00 19.22 H new ATOM 0 HD12 ILE A 327 35.246 56.509 26.592 1.00 19.22 H new ATOM 0 HD13 ILE A 327 35.370 58.076 26.403 1.00 19.22 H new ATOM 493 N AVAL A 328 39.469 54.383 27.453 0.82 14.78 N ANISOU 493 N AVAL A 328 2085 1777 1755 -374 152 -61 N ATOM 494 N BVAL A 328 39.469 54.389 27.456 0.18 17.72 N ANISOU 494 N BVAL A 328 2456 2149 2127 -373 152 -61 N ATOM 495 CA AVAL A 328 39.414 52.992 27.199 0.82 16.20 C ANISOU 495 CA AVAL A 328 2424 1795 1935 -454 182 -113 C ATOM 496 CA BVAL A 328 39.428 52.998 27.208 0.18 16.18 C ANISOU 496 CA BVAL A 328 2422 1793 1933 -451 182 -113 C ATOM 497 C AVAL A 328 38.425 52.359 28.163 0.82 20.27 C ANISOU 497 C AVAL A 328 2943 2259 2498 -580 208 -53 C ATOM 498 C BVAL A 328 38.424 52.390 28.167 0.18 19.49 C ANISOU 498 C BVAL A 328 2840 2165 2400 -578 207 -52 C ATOM 499 O AVAL A 328 38.081 52.929 29.153 0.82 16.44 O ANISOU 499 O AVAL A 328 2349 1859 2036 -548 221 33 O ATOM 500 O BVAL A 328 38.100 52.973 29.163 0.18 20.60 O ANISOU 500 O BVAL A 328 2873 2391 2563 -543 220 34 O ATOM 501 CB AVAL A 328 40.803 52.361 27.364 0.82 16.35 C ANISOU 501 CB AVAL A 328 2580 1683 1950 -290 248 -121 C ATOM 502 CB BVAL A 328 40.815 52.380 27.420 0.18 35.05 C ANISOU 502 CB BVAL A 328 4945 4053 4320 -286 249 -116 C ATOM 503 CG1AVAL A 328 41.796 53.019 26.431 0.82 30.53 C ANISOU 503 CG1AVAL A 328 4340 3562 3697 -174 240 -164 C ATOM 504 CG1BVAL A 328 40.796 50.920 27.074 0.18 18.12 C ANISOU 504 CG1BVAL A 328 3017 1697 2170 -341 293 -178 C ATOM 505 CG2AVAL A 328 41.297 52.490 28.780 0.82 18.29 C ANISOU 505 CG2AVAL A 328 2793 1927 2229 -171 284 -19 C ATOM 506 CG2BVAL A 328 41.828 53.072 26.534 0.18 37.96 C ANISOU 506 CG2BVAL A 328 5272 4508 4642 -166 241 -156 C ATOM 0 H AVAL A 328 39.563 54.581 28.285 0.82 17.72 H new ATOM 0 H BVAL A 328 39.555 54.592 28.287 0.18 17.72 H new ATOM 0 HA AVAL A 328 39.124 52.838 26.286 0.82 16.18 H new ATOM 0 HA BVAL A 328 39.165 52.824 26.291 0.18 16.18 H new ATOM 0 HB AVAL A 328 40.723 51.419 27.145 0.82 35.05 H new ATOM 0 HB BVAL A 328 41.057 52.490 28.353 0.18 35.05 H new ATOM 0 HG11AVAL A 328 42.668 52.611 26.546 0.82 18.12 H new ATOM 0 HG11BVAL A 328 41.679 50.543 27.213 0.18 18.12 H new ATOM 0 HG12AVAL A 328 41.504 52.903 25.513 0.82 18.12 H new ATOM 0 HG12BVAL A 328 40.156 50.461 27.641 0.18 18.12 H new ATOM 0 HG13AVAL A 328 41.853 53.966 26.635 0.82 18.12 H new ATOM 0 HG13BVAL A 328 40.541 50.811 26.145 0.18 18.12 H new ATOM 0 HG21AVAL A 328 42.175 52.084 28.855 0.82 37.96 H new ATOM 0 HG21BVAL A 328 42.703 52.677 26.673 0.18 37.96 H new ATOM 0 HG22AVAL A 328 41.354 53.428 29.019 0.82 37.96 H new ATOM 0 HG22BVAL A 328 41.570 52.968 25.605 0.18 37.96 H new ATOM 0 HG23AVAL A 328 40.681 52.041 29.380 0.82 37.96 H new ATOM 0 HG23BVAL A 328 41.861 54.016 26.756 0.18 37.96 H new ATOM 525 N AGLY A 329 37.953 51.177 27.824 0.82 22.17 N ANISOU 525 N AGLY A 329 3319 2356 2747 -735 221 -103 N ATOM 526 N BGLY A 329 37.908 51.228 27.815 0.18 18.75 N ANISOU 526 N BGLY A 329 2876 1935 2314 -739 217 -103 N ATOM 527 CA AGLY A 329 37.150 50.420 28.759 0.82 20.58 C ANISOU 527 CA AGLY A 329 3148 2073 2597 -871 270 -30 C ATOM 528 CA BGLY A 329 37.090 50.509 28.761 0.18 24.37 C ANISOU 528 CA BGLY A 329 3610 2571 3077 -874 265 -28 C ATOM 529 C AGLY A 329 35.771 50.153 28.272 0.82 37.94 C ANISOU 529 C AGLY A 329 5269 4340 4805 -1141 218 -65 C ATOM 530 C BGLY A 329 35.806 49.903 28.351 0.18 41.25 C ANISOU 530 C BGLY A 329 5730 4711 5231 -1155 232 -64 C ATOM 531 O AGLY A 329 35.675 49.671 27.185 0.82 38.08 O ANISOU 531 O AGLY A 329 5379 4301 4790 -1255 167 -183 O ATOM 532 O BGLY A 329 36.015 48.757 27.974 0.18 43.07 O ANISOU 532 O BGLY A 329 6181 4718 5466 -1244 258 -133 O ATOM 0 H AGLY A 329 38.084 50.797 27.064 0.82 18.75 H new ATOM 0 H BGLY A 329 38.016 50.847 27.052 0.18 18.75 H new ATOM 0 HA2AGLY A 329 37.590 49.575 28.943 0.82 24.37 H new ATOM 0 HA2BGLY A 329 37.637 49.796 29.125 0.18 24.37 H new ATOM 0 HA3AGLY A 329 37.101 50.903 29.599 0.82 24.37 H new ATOM 0 HA3BGLY A 329 36.896 51.119 29.490 0.18 24.37 H new ATOM 539 N GLY A 330 34.745 50.246 29.137 1.00 66.03 N ANISOU 539 N GLY A 330 8686 7999 8404 -1254 243 38 N ATOM 540 CA GLY A 330 33.332 50.263 28.810 1.00 53.09 C ANISOU 540 CA GLY A 330 6873 6525 6775 -1498 188 36 C ATOM 541 C GLY A 330 32.741 48.930 28.391 1.00 56.34 C ANISOU 541 C GLY A 330 7419 6773 7213 -1799 183 -29 C ATOM 542 O GLY A 330 31.735 48.894 27.684 1.00 65.57 O ANISOU 542 O GLY A 330 8456 8089 8369 -2026 93 -84 O ATOM 0 H AGLY A 330 34.879 50.304 29.984 0.82 66.03 H new ATOM 0 H BGLY A 330 34.874 50.495 29.950 0.18 66.03 H new ATOM 0 HA2 GLY A 330 32.842 50.588 29.581 1.00 53.09 H new ATOM 0 HA3 GLY A 330 33.190 50.901 28.094 1.00 53.09 H new ATOM 546 N GLU A 331 33.352 47.831 28.816 1.00 54.35 N ANISOU 546 N GLU A 331 7438 6219 6994 -1805 273 -23 N ATOM 547 CA GLU A 331 32.795 46.516 28.524 1.00 61.83 C ANISOU 547 CA GLU A 331 8555 6961 7975 -2087 282 -82 C ATOM 548 C GLU A 331 31.645 46.213 29.485 1.00 77.46 C ANISOU 548 C GLU A 331 10373 9035 10024 -2229 332 58 C ATOM 549 O GLU A 331 30.583 46.831 29.395 1.00 87.32 O ANISOU 549 O GLU A 331 11332 10572 11273 -2325 271 86 O ATOM 550 CB GLU A 331 33.878 45.437 28.599 1.00 65.58 C ANISOU 550 CB GLU A 331 9392 7068 8457 -1969 368 -117 C ATOM 551 CG GLU A 331 34.878 45.487 27.454 1.00 80.01 C ANISOU 551 CG GLU A 331 11391 8799 10211 -1836 323 -281 C ATOM 552 CD GLU A 331 34.216 45.343 26.095 1.00104.94 C ANISOU 552 CD GLU A 331 14508 12054 13310 -2019 193 -447 C ATOM 553 OE1 GLU A 331 33.711 44.241 25.791 1.00112.93 O ANISOU 553 OE1 GLU A 331 15644 12925 14338 -2179 183 -507 O ATOM 554 OE2 GLU A 331 34.194 46.333 25.334 1.00117.77 O ANISOU 554 OE2 GLU A 331 15978 13905 14866 -1997 99 -512 O ATOM 0 H GLU A 331 34.082 47.823 29.270 1.00 54.35 H new ATOM 0 HA GLU A 331 32.447 46.517 27.619 1.00 61.83 H new ATOM 0 HB2 GLU A 331 34.356 45.529 29.438 1.00 65.58 H new ATOM 0 HB3 GLU A 331 33.453 44.565 28.608 1.00 65.58 H new ATOM 0 HG2 GLU A 331 35.361 46.327 27.487 1.00 80.01 H new ATOM 0 HG3 GLU A 331 35.531 44.779 27.568 1.00 80.01 H new ATOM 561 N ASP A 332 31.851 45.278 30.408 1.00 91.74 N ANISOU 561 N ASP A 332 12362 10612 11883 -2218 449 155 N ATOM 562 CA ASP A 332 30.790 44.871 31.323 1.00 73.88 C ANISOU 562 CA ASP A 332 9971 8414 9686 -2361 514 293 C ATOM 563 C ASP A 332 30.826 45.703 32.600 1.00 60.45 C ANISOU 563 C ASP A 332 8119 6877 7974 -2197 609 469 C ATOM 564 O ASP A 332 31.083 45.181 33.686 1.00 58.89 O ANISOU 564 O ASP A 332 8042 6541 7791 -2125 727 606 O ATOM 565 CB ASP A 332 30.916 43.385 31.659 1.00 71.66 C ANISOU 565 CB ASP A 332 9967 7802 9460 -2444 592 320 C ATOM 566 CG ASP A 332 30.997 42.515 30.421 1.00 95.83 C ANISOU 566 CG ASP A 332 13225 10672 12515 -2578 511 131 C ATOM 567 OD1 ASP A 332 29.934 42.127 29.892 1.00 98.84 O ANISOU 567 OD1 ASP A 332 13502 11127 12925 -2837 442 71 O ATOM 568 OD2 ASP A 332 32.127 42.222 29.974 1.00 97.53 O ANISOU 568 OD2 ASP A 332 13696 10675 12687 -2410 519 43 O ATOM 0 H ASP A 332 32.598 44.867 30.521 1.00 91.74 H new ATOM 0 HA ASP A 332 29.939 45.022 30.883 1.00 73.88 H new ATOM 0 HB2 ASP A 332 31.708 43.245 32.201 1.00 71.66 H new ATOM 0 HB3 ASP A 332 30.154 43.112 32.194 1.00 71.66 H new ATOM 573 N GLY A 333 30.565 46.999 32.464 1.00 53.26 N ANISOU 573 N GLY A 333 6951 6266 7019 -2123 557 468 N ATOM 574 CA GLY A 333 30.564 47.899 33.602 1.00 46.92 C ANISOU 574 CA GLY A 333 6002 5645 6182 -1951 642 612 C ATOM 575 C GLY A 333 31.912 47.978 34.291 1.00 42.99 C ANISOU 575 C GLY A 333 5716 4983 5637 -1686 706 657 C ATOM 576 O GLY A 333 31.991 48.231 35.492 1.00 45.78 O ANISOU 576 O GLY A 333 6045 5396 5955 -1541 798 789 O ATOM 0 H GLY A 333 30.385 47.376 31.712 1.00 53.26 H new ATOM 0 HA2 GLY A 333 30.304 48.786 33.307 1.00 46.92 H new ATOM 0 HA3 GLY A 333 29.896 47.605 34.241 1.00 46.92 H new ATOM 580 N GLU A 334 32.979 47.759 33.528 1.00 33.97 N ANISOU 580 N GLU A 334 4764 3658 4485 -1574 646 537 N ATOM 581 CA GLU A 334 34.329 47.806 34.079 1.00 33.33 C ANISOU 581 CA GLU A 334 4847 3455 4363 -1275 679 565 C ATOM 582 C GLU A 334 34.795 49.246 34.269 1.00 33.55 C ANISOU 582 C GLU A 334 4694 3717 4335 -1032 621 549 C ATOM 583 O GLU A 334 35.755 49.502 34.994 1.00 30.48 O ANISOU 583 O GLU A 334 4368 3311 3901 -799 642 594 O ATOM 584 CB GLU A 334 35.308 47.048 33.177 1.00 55.62 C ANISOU 584 CB GLU A 334 7919 6021 7192 -1228 652 448 C ATOM 585 CG GLU A 334 35.341 47.526 31.735 1.00 79.66 C ANISOU 585 CG GLU A 334 10895 9148 10224 -1273 533 275 C ATOM 586 CD GLU A 334 36.330 46.746 30.889 1.00 70.58 C ANISOU 586 CD GLU A 334 10006 7751 9061 -1198 530 160 C ATOM 587 OE1 GLU A 334 36.521 47.107 29.707 1.00 49.37 O ANISOU 587 OE1 GLU A 334 7291 5127 6340 -1199 446 21 O ATOM 588 OE2 GLU A 334 36.914 45.768 31.404 1.00 52.83 O ANISOU 588 OE2 GLU A 334 7999 5250 6825 -1119 621 216 O ATOM 0 H GLU A 334 32.942 47.581 32.687 1.00 33.97 H new ATOM 0 HA GLU A 334 34.309 47.376 34.948 1.00 33.33 H new ATOM 0 HB2 GLU A 334 36.200 47.125 33.551 1.00 55.62 H new ATOM 0 HB3 GLU A 334 35.076 46.106 33.188 1.00 55.62 H new ATOM 0 HG2 GLU A 334 34.455 47.444 31.350 1.00 79.66 H new ATOM 0 HG3 GLU A 334 35.574 48.467 31.714 1.00 79.66 H new ATOM 595 N GLY A 335 34.113 50.183 33.615 1.00 22.47 N ANISOU 595 N GLY A 335 3074 2532 2931 -1089 542 487 N ATOM 596 CA GLY A 335 34.427 51.594 33.760 1.00 23.09 C ANISOU 596 CA GLY A 335 3004 2804 2964 -882 495 473 C ATOM 597 C GLY A 335 35.034 52.232 32.525 1.00 23.74 C ANISOU 597 C GLY A 335 3072 2911 3036 -815 391 346 C ATOM 598 O GLY A 335 35.429 51.546 31.583 1.00 19.52 O ANISOU 598 O GLY A 335 2664 2239 2512 -884 358 259 O ATOM 0 H GLY A 335 33.461 50.017 33.080 1.00 22.47 H new ATOM 0 HA2 GLY A 335 33.616 52.072 33.992 1.00 23.09 H new ATOM 0 HA3 GLY A 335 35.042 51.702 34.502 1.00 23.09 H new ATOM 602 N ILE A 336 35.100 53.559 32.542 1.00 17.66 N ANISOU 602 N ILE A 336 2166 2308 2235 -675 350 338 N ATOM 603 CA ILE A 336 35.708 54.334 31.467 1.00 16.44 C ANISOU 603 CA ILE A 336 1995 2187 2063 -597 267 246 C ATOM 604 C ILE A 336 36.929 55.049 32.032 1.00 15.03 C ANISOU 604 C ILE A 336 1862 1988 1859 -392 272 249 C ATOM 605 O ILE A 336 36.803 55.830 32.975 1.00 16.42 O ANISOU 605 O ILE A 336 1976 2251 2013 -296 293 297 O ATOM 606 CB ILE A 336 34.706 55.344 30.861 1.00 17.83 C ANISOU 606 CB ILE A 336 1982 2568 2226 -623 210 242 C ATOM 607 CG1 ILE A 336 33.451 54.630 30.348 1.00 25.10 C ANISOU 607 CG1 ILE A 336 2812 3560 3164 -849 187 242 C ATOM 608 CG2 ILE A 336 35.364 56.164 29.751 1.00 17.04 C ANISOU 608 CG2 ILE A 336 1887 2489 2097 -537 137 171 C ATOM 609 CD1 ILE A 336 33.701 53.608 29.249 1.00 25.33 C ANISOU 609 CD1 ILE A 336 2975 3456 3193 -1005 138 141 C ATOM 0 H ILE A 336 34.790 54.039 33.184 1.00 17.66 H new ATOM 0 HA ILE A 336 35.973 53.740 30.747 1.00 16.44 H new ATOM 0 HB ILE A 336 34.434 55.956 31.563 1.00 17.83 H new ATOM 0 HG12 ILE A 336 33.020 54.185 31.094 1.00 25.10 H new ATOM 0 HG13 ILE A 336 32.828 55.296 30.017 1.00 25.10 H new ATOM 0 HG21 ILE A 336 34.719 56.790 29.385 1.00 17.04 H new ATOM 0 HG22 ILE A 336 36.119 56.653 30.114 1.00 17.04 H new ATOM 0 HG23 ILE A 336 35.672 55.570 29.049 1.00 17.04 H new ATOM 0 HD11 ILE A 336 32.859 53.205 28.984 1.00 25.33 H new ATOM 0 HD12 ILE A 336 34.104 54.047 28.484 1.00 25.33 H new ATOM 0 HD13 ILE A 336 34.299 52.919 29.578 1.00 25.33 H new ATOM 621 N PHE A 337 38.101 54.792 31.455 1.00 17.09 N ANISOU 621 N PHE A 337 2227 2151 2117 -329 252 192 N ATOM 622 CA PHE A 337 39.357 55.328 31.989 1.00 13.86 C ANISOU 622 CA PHE A 337 1840 1739 1686 -164 248 196 C ATOM 623 C PHE A 337 40.125 56.166 30.974 1.00 22.29 C ANISOU 623 C PHE A 337 2873 2850 2746 -115 198 132 C ATOM 624 O PHE A 337 40.085 55.897 29.776 1.00 16.13 O ANISOU 624 O PHE A 337 2116 2050 1963 -173 180 78 O ATOM 625 CB PHE A 337 40.257 54.188 32.471 1.00 14.29 C ANISOU 625 CB PHE A 337 2032 1661 1738 -95 292 222 C ATOM 626 CG PHE A 337 39.625 53.319 33.514 1.00 15.40 C ANISOU 626 CG PHE A 337 2237 1735 1878 -136 358 310 C ATOM 627 CD1 PHE A 337 38.818 52.254 33.152 1.00 20.45 C ANISOU 627 CD1 PHE A 337 2957 2260 2553 -294 397 316 C ATOM 628 CD2 PHE A 337 39.838 53.566 34.857 1.00 19.44 C ANISOU 628 CD2 PHE A 337 2739 2300 2345 -30 382 387 C ATOM 629 CE1 PHE A 337 38.235 51.453 34.112 1.00 23.92 C ANISOU 629 CE1 PHE A 337 3463 2629 2998 -354 474 416 C ATOM 630 CE2 PHE A 337 39.255 52.767 35.822 1.00 21.26 C ANISOU 630 CE2 PHE A 337 3038 2478 2561 -63 458 489 C ATOM 631 CZ PHE A 337 38.454 51.712 35.449 1.00 22.21 C ANISOU 631 CZ PHE A 337 3233 2473 2731 -228 511 513 C ATOM 0 H PHE A 337 38.193 54.308 30.750 1.00 17.09 H new ATOM 0 HA PHE A 337 39.114 55.907 32.728 1.00 13.86 H new ATOM 0 HB2 PHE A 337 40.504 53.639 31.711 1.00 14.29 H new ATOM 0 HB3 PHE A 337 41.077 54.563 32.828 1.00 14.29 H new ATOM 0 HD1 PHE A 337 38.667 52.077 32.252 1.00 20.45 H new ATOM 0 HD2 PHE A 337 40.379 54.277 35.114 1.00 19.44 H new ATOM 0 HE1 PHE A 337 37.695 50.740 33.858 1.00 23.92 H new ATOM 0 HE2 PHE A 337 39.404 52.942 36.723 1.00 21.26 H new ATOM 0 HZ PHE A 337 38.061 51.174 36.098 1.00 22.21 H new ATOM 641 N ILE A 338 40.839 57.173 31.470 1.00 13.08 N ANISOU 641 N ILE A 338 1661 1742 1566 -20 178 137 N ATOM 642 CA ILE A 338 41.720 57.977 30.631 1.00 12.96 C ANISOU 642 CA ILE A 338 1616 1760 1549 13 146 97 C ATOM 643 C ILE A 338 43.022 57.212 30.404 1.00 18.42 C ANISOU 643 C ILE A 338 2356 2407 2235 80 165 82 C ATOM 644 O ILE A 338 43.688 56.808 31.356 1.00 19.02 O ANISOU 644 O ILE A 338 2450 2476 2303 160 174 114 O ATOM 645 CB ILE A 338 41.996 59.360 31.257 1.00 13.50 C ANISOU 645 CB ILE A 338 1631 1888 1610 56 117 101 C ATOM 646 CG1 ILE A 338 40.695 60.158 31.395 1.00 19.17 C ANISOU 646 CG1 ILE A 338 2311 2647 2324 37 115 118 C ATOM 647 CG2 ILE A 338 43.012 60.133 30.416 1.00 10.86 C ANISOU 647 CG2 ILE A 338 1270 1574 1282 57 97 75 C ATOM 648 CD1 ILE A 338 40.869 61.530 32.058 1.00 23.99 C ANISOU 648 CD1 ILE A 338 2921 3274 2922 90 99 108 C ATOM 0 H ILE A 338 40.826 57.408 32.297 1.00 13.08 H new ATOM 0 HA ILE A 338 41.283 58.136 29.780 1.00 12.96 H new ATOM 0 HB ILE A 338 42.368 59.227 32.143 1.00 13.50 H new ATOM 0 HG12 ILE A 338 40.308 60.282 30.514 1.00 19.17 H new ATOM 0 HG13 ILE A 338 40.061 59.637 31.913 1.00 19.17 H new ATOM 0 HG21 ILE A 338 43.175 60.999 30.821 1.00 10.86 H new ATOM 0 HG22 ILE A 338 43.843 59.635 30.373 1.00 10.86 H new ATOM 0 HG23 ILE A 338 42.663 60.257 29.519 1.00 10.86 H new ATOM 0 HD11 ILE A 338 40.009 61.975 32.111 1.00 23.99 H new ATOM 0 HD12 ILE A 338 41.229 61.415 32.951 1.00 23.99 H new ATOM 0 HD13 ILE A 338 41.480 62.069 31.531 1.00 23.99 H new ATOM 660 N SER A 339 43.339 56.981 29.134 1.00 13.95 N ANISOU 660 N SER A 339 1810 1830 1662 65 173 41 N ATOM 661 CA SER A 339 44.544 56.259 28.740 1.00 15.02 C ANISOU 661 CA SER A 339 1986 1938 1783 155 210 25 C ATOM 662 C SER A 339 45.664 57.142 28.187 1.00 18.34 C ANISOU 662 C SER A 339 2313 2461 2195 196 208 23 C ATOM 663 O SER A 339 46.792 56.692 28.041 1.00 18.38 O ANISOU 663 O SER A 339 2306 2491 2188 293 244 25 O ATOM 664 CB SER A 339 44.185 55.242 27.667 1.00 21.81 C ANISOU 664 CB SER A 339 2958 2710 2619 121 242 -33 C ATOM 665 OG SER A 339 43.657 55.890 26.538 1.00 17.89 O ANISOU 665 OG SER A 339 2432 2269 2096 37 213 -68 O ATOM 0 H SER A 339 42.857 57.241 28.471 1.00 13.95 H new ATOM 0 HA SER A 339 44.880 55.848 29.552 1.00 15.02 H new ATOM 0 HB2 SER A 339 44.973 54.734 27.417 1.00 21.81 H new ATOM 0 HB3 SER A 339 43.538 54.609 28.016 1.00 21.81 H new ATOM 0 HG SER A 339 43.617 55.349 25.897 1.00 17.89 H new ATOM 671 N PHE A 340 45.337 58.385 27.856 1.00 14.02 N ANISOU 671 N PHE A 340 1704 1971 1653 123 176 26 N ATOM 672 CA PHE A 340 46.263 59.274 27.165 1.00 12.69 C ANISOU 672 CA PHE A 340 1461 1881 1479 118 186 35 C ATOM 673 C PHE A 340 45.722 60.691 27.211 1.00 17.18 C ANISOU 673 C PHE A 340 2001 2462 2064 41 149 55 C ATOM 674 O PHE A 340 44.545 60.917 26.928 1.00 16.52 O ANISOU 674 O PHE A 340 1955 2351 1971 7 131 56 O ATOM 675 CB PHE A 340 46.460 58.816 25.714 1.00 15.48 C ANISOU 675 CB PHE A 340 1855 2245 1782 133 237 9 C ATOM 676 CG PHE A 340 47.319 59.735 24.885 1.00 17.03 C ANISOU 676 CG PHE A 340 1975 2533 1961 117 269 39 C ATOM 677 CD1 PHE A 340 46.769 60.835 24.250 1.00 17.15 C ANISOU 677 CD1 PHE A 340 1993 2560 1964 40 253 68 C ATOM 678 CD2 PHE A 340 48.670 59.483 24.721 1.00 16.02 C ANISOU 678 CD2 PHE A 340 1771 2488 1826 187 326 54 C ATOM 679 CE1 PHE A 340 47.549 61.673 23.483 1.00 14.96 C ANISOU 679 CE1 PHE A 340 1665 2350 1670 11 298 116 C ATOM 680 CE2 PHE A 340 49.458 60.322 23.952 1.00 16.78 C ANISOU 680 CE2 PHE A 340 1782 2683 1908 149 372 97 C ATOM 681 CZ PHE A 340 48.895 61.418 23.333 1.00 18.18 C ANISOU 681 CZ PHE A 340 1985 2847 2077 50 360 130 C ATOM 0 H PHE A 340 44.571 58.738 28.026 1.00 14.02 H new ATOM 0 HA PHE A 340 47.126 59.249 27.606 1.00 12.69 H new ATOM 0 HB2 PHE A 340 46.859 57.932 25.716 1.00 15.48 H new ATOM 0 HB3 PHE A 340 45.591 58.734 25.291 1.00 15.48 H new ATOM 0 HD1 PHE A 340 45.860 61.011 24.342 1.00 17.15 H new ATOM 0 HD2 PHE A 340 49.053 58.742 25.132 1.00 16.02 H new ATOM 0 HE1 PHE A 340 47.167 62.411 23.066 1.00 14.96 H new ATOM 0 HE2 PHE A 340 50.366 60.147 23.853 1.00 16.78 H new ATOM 0 HZ PHE A 340 49.422 61.983 22.816 1.00 18.18 H new ATOM 691 N ILE A 341 46.576 61.638 27.582 1.00 13.85 N ANISOU 691 N ILE A 341 1516 2080 1667 13 136 72 N ATOM 692 CA ILE A 341 46.221 63.050 27.534 1.00 12.36 C ANISOU 692 CA ILE A 341 1339 1862 1495 -56 116 90 C ATOM 693 C ILE A 341 47.140 63.747 26.545 1.00 16.31 C ANISOU 693 C ILE A 341 1799 2403 1996 -113 155 125 C ATOM 694 O ILE A 341 48.365 63.602 26.599 1.00 17.15 O ANISOU 694 O ILE A 341 1816 2588 2114 -126 173 131 O ATOM 695 CB ILE A 341 46.295 63.703 28.921 1.00 15.85 C ANISOU 695 CB ILE A 341 1782 2280 1959 -75 67 69 C ATOM 696 CG1 ILE A 341 45.266 63.062 29.854 1.00 17.35 C ANISOU 696 CG1 ILE A 341 2016 2443 2132 -13 50 54 C ATOM 697 CG2 ILE A 341 46.041 65.206 28.820 1.00 18.38 C ANISOU 697 CG2 ILE A 341 2156 2529 2297 -141 59 78 C ATOM 698 CD1 ILE A 341 45.416 63.461 31.295 1.00 23.38 C ANISOU 698 CD1 ILE A 341 2792 3208 2885 -5 8 26 C ATOM 0 H ILE A 341 47.372 61.482 27.867 1.00 13.85 H new ATOM 0 HA ILE A 341 45.301 63.137 27.241 1.00 12.36 H new ATOM 0 HB ILE A 341 47.184 63.563 29.282 1.00 15.85 H new ATOM 0 HG12 ILE A 341 44.376 63.302 29.552 1.00 17.35 H new ATOM 0 HG13 ILE A 341 45.338 62.097 29.786 1.00 17.35 H new ATOM 0 HG21 ILE A 341 46.091 65.603 29.704 1.00 18.38 H new ATOM 0 HG22 ILE A 341 46.711 65.610 28.246 1.00 18.38 H new ATOM 0 HG23 ILE A 341 45.160 65.361 28.446 1.00 18.38 H new ATOM 0 HD11 ILE A 341 44.735 63.020 31.826 1.00 23.38 H new ATOM 0 HD12 ILE A 341 46.294 63.199 31.614 1.00 23.38 H new ATOM 0 HD13 ILE A 341 45.317 64.422 31.377 1.00 23.38 H new ATOM 710 N LEU A 342 46.537 64.505 25.639 1.00 15.12 N ANISOU 710 N LEU A 342 1702 2216 1826 -139 172 164 N ATOM 711 CA LEU A 342 47.281 65.189 24.591 1.00 14.29 C ANISOU 711 CA LEU A 342 1579 2142 1709 -196 227 222 C ATOM 712 C LEU A 342 47.963 66.445 25.115 1.00 14.21 C ANISOU 712 C LEU A 342 1559 2083 1757 -309 221 245 C ATOM 713 O LEU A 342 47.327 67.294 25.736 1.00 17.77 O ANISOU 713 O LEU A 342 2095 2423 2235 -328 184 236 O ATOM 714 CB LEU A 342 46.348 65.551 23.437 1.00 13.54 C ANISOU 714 CB LEU A 342 1564 2029 1553 -170 244 271 C ATOM 715 CG LEU A 342 46.969 66.373 22.309 1.00 16.60 C ANISOU 715 CG LEU A 342 1962 2437 1909 -221 313 358 C ATOM 716 CD1 LEU A 342 48.069 65.587 21.616 1.00 23.29 C ANISOU 716 CD1 LEU A 342 2727 3408 2714 -213 385 356 C ATOM 717 CD2 LEU A 342 45.896 66.789 21.326 1.00 20.28 C ANISOU 717 CD2 LEU A 342 2518 2890 2296 -168 309 418 C ATOM 0 H LEU A 342 45.688 64.637 25.614 1.00 15.12 H new ATOM 0 HA LEU A 342 47.970 64.583 24.276 1.00 14.29 H new ATOM 0 HB2 LEU A 342 45.996 64.730 23.059 1.00 13.54 H new ATOM 0 HB3 LEU A 342 45.594 66.045 23.796 1.00 13.54 H new ATOM 0 HG LEU A 342 47.370 67.172 22.685 1.00 16.60 H new ATOM 0 HD11 LEU A 342 48.451 66.124 20.904 1.00 23.29 H new ATOM 0 HD12 LEU A 342 48.761 65.363 22.258 1.00 23.29 H new ATOM 0 HD13 LEU A 342 47.699 64.772 21.243 1.00 23.29 H new ATOM 0 HD21 LEU A 342 46.295 67.310 20.612 1.00 20.28 H new ATOM 0 HD22 LEU A 342 45.475 65.999 20.952 1.00 20.28 H new ATOM 0 HD23 LEU A 342 45.229 67.325 21.783 1.00 20.28 H new ATOM 729 N ALA A 343 49.259 66.561 24.850 1.00 21.13 N ANISOU 729 N ALA A 343 2333 3044 2650 -387 262 271 N ATOM 730 CA ALA A 343 50.008 67.752 25.220 1.00 19.86 C ANISOU 730 CA ALA A 343 2156 2843 2548 -547 256 292 C ATOM 731 C ALA A 343 49.422 68.979 24.528 1.00 20.75 C ANISOU 731 C ALA A 343 2413 2809 2662 -601 294 364 C ATOM 732 O ALA A 343 49.275 69.004 23.305 1.00 17.78 O ANISOU 732 O ALA A 343 2062 2458 2234 -568 364 444 O ATOM 733 CB ALA A 343 51.478 67.588 24.862 1.00 25.76 C ANISOU 733 CB ALA A 343 2727 3752 3307 -629 308 329 C ATOM 0 H ALA A 343 49.725 65.956 24.454 1.00 21.13 H new ATOM 0 HA ALA A 343 49.940 67.876 26.180 1.00 19.86 H new ATOM 0 HB1 ALA A 343 51.964 68.389 25.114 1.00 25.76 H new ATOM 0 HB2 ALA A 343 51.844 66.825 25.337 1.00 25.76 H new ATOM 0 HB3 ALA A 343 51.565 67.445 23.906 1.00 25.76 H new ATOM 739 N GLY A 344 49.078 69.992 25.316 1.00 21.85 N ANISOU 739 N GLY A 344 2666 2791 2846 -665 250 335 N ATOM 740 CA GLY A 344 48.581 71.243 24.772 1.00 24.87 C ANISOU 740 CA GLY A 344 3216 2997 3235 -700 292 411 C ATOM 741 C GLY A 344 47.083 71.287 24.533 1.00 20.43 C ANISOU 741 C GLY A 344 2777 2362 2625 -519 283 434 C ATOM 742 O GLY A 344 46.542 72.337 24.183 1.00 22.46 O ANISOU 742 O GLY A 344 3187 2465 2879 -496 314 504 O ATOM 0 H GLY A 344 49.127 69.971 26.174 1.00 21.85 H new ATOM 0 HA2 GLY A 344 48.820 71.961 25.378 1.00 24.87 H new ATOM 0 HA3 GLY A 344 49.034 71.418 23.933 1.00 24.87 H new ATOM 746 N GLY A 345 46.401 70.161 24.694 1.00 16.18 N ANISOU 746 N GLY A 345 2169 1935 2045 -388 244 386 N ATOM 747 CA GLY A 345 44.969 70.122 24.590 1.00 23.41 C ANISOU 747 CA GLY A 345 3150 2827 2917 -236 223 401 C ATOM 748 C GLY A 345 44.198 70.654 25.788 1.00 25.29 C ANISOU 748 C GLY A 345 3474 2954 3183 -172 186 345 C ATOM 749 O GLY A 345 44.752 70.878 26.809 1.00 19.52 O ANISOU 749 O GLY A 345 2758 2168 2492 -246 162 270 O ATOM 0 H GLY A 345 46.765 69.401 24.867 1.00 16.18 H new ATOM 0 HA2 GLY A 345 44.706 70.630 23.807 1.00 23.41 H new ATOM 0 HA3 GLY A 345 44.699 69.203 24.436 1.00 23.41 H new ATOM 753 N PRO A 346 42.911 70.882 25.621 1.00 20.44 N ANISOU 753 N PRO A 346 2910 2326 2532 -25 183 385 N ATOM 754 CA PRO A 346 42.103 71.414 26.727 1.00 17.97 C ANISOU 754 CA PRO A 346 2678 1921 2229 74 171 340 C ATOM 755 C PRO A 346 42.237 70.630 28.030 1.00 19.68 C ANISOU 755 C PRO A 346 2826 2196 2456 53 132 229 C ATOM 756 O PRO A 346 42.338 71.239 29.092 1.00 25.58 O ANISOU 756 O PRO A 346 3666 2839 3214 50 126 160 O ATOM 757 CB PRO A 346 40.675 71.316 26.187 1.00 24.81 C ANISOU 757 CB PRO A 346 3515 2872 3040 250 170 412 C ATOM 758 CG PRO A 346 40.833 71.456 24.722 1.00 21.65 C ANISOU 758 CG PRO A 346 3116 2510 2599 238 187 516 C ATOM 759 CD PRO A 346 42.116 70.741 24.387 1.00 19.17 C ANISOU 759 CD PRO A 346 2730 2252 2302 72 191 480 C ATOM 0 HA PRO A 346 42.385 72.310 26.967 1.00 17.97 H new ATOM 0 HB2 PRO A 346 40.265 70.468 26.420 1.00 24.81 H new ATOM 0 HB3 PRO A 346 40.109 72.015 26.551 1.00 24.81 H new ATOM 0 HG2 PRO A 346 40.081 71.064 24.250 1.00 21.65 H new ATOM 0 HG3 PRO A 346 40.875 72.390 24.463 1.00 21.65 H new ATOM 0 HD2 PRO A 346 41.960 69.810 24.165 1.00 19.17 H new ATOM 0 HD3 PRO A 346 42.562 71.143 23.625 1.00 19.17 H new ATOM 767 N ALA A 347 42.233 69.304 27.949 1.00 19.56 N ANISOU 767 N ALA A 347 3048 1814 2569 -52 347 128 N ATOM 768 CA ALA A 347 42.347 68.472 29.142 1.00 21.83 C ANISOU 768 CA ALA A 347 3233 2201 2859 -88 273 57 C ATOM 769 C ALA A 347 43.696 68.687 29.821 1.00 23.71 C ANISOU 769 C ALA A 347 3420 2434 3156 -218 286 -10 C ATOM 770 O ALA A 347 43.780 68.760 31.047 1.00 21.57 O ANISOU 770 O ALA A 347 3112 2200 2883 -265 243 -82 O ATOM 771 CB ALA A 347 42.161 67.008 28.789 1.00 16.75 C ANISOU 771 CB ALA A 347 2515 1673 2178 -57 217 85 C ATOM 0 H ALA A 347 42.165 68.866 27.212 1.00 19.56 H new ATOM 0 HA ALA A 347 41.647 68.732 29.762 1.00 21.83 H new ATOM 0 HB1 ALA A 347 42.240 66.469 29.592 1.00 16.75 H new ATOM 0 HB2 ALA A 347 41.283 66.878 28.398 1.00 16.75 H new ATOM 0 HB3 ALA A 347 42.841 66.740 28.152 1.00 16.75 H new ATOM 777 N ASP A 348 44.751 68.785 29.020 1.00 21.80 N ANISOU 777 N ASP A 348 3166 2164 2954 -283 346 13 N ATOM 778 CA ASP A 348 46.086 69.044 29.547 1.00 22.39 C ANISOU 778 CA ASP A 348 3165 2252 3092 -419 359 -44 C ATOM 779 C ASP A 348 46.140 70.418 30.208 1.00 23.96 C ANISOU 779 C ASP A 348 3445 2339 3317 -505 397 -115 C ATOM 780 O ASP A 348 46.655 70.568 31.318 1.00 28.34 O ANISOU 780 O ASP A 348 3941 2944 3881 -606 352 -203 O ATOM 781 CB ASP A 348 47.130 68.948 28.433 1.00 17.53 C ANISOU 781 CB ASP A 348 2516 1625 2518 -468 441 1 C ATOM 782 CG ASP A 348 48.536 69.248 28.921 1.00 20.71 C ANISOU 782 CG ASP A 348 2808 2062 2997 -617 458 -52 C ATOM 783 OD1 ASP A 348 48.823 69.000 30.111 1.00 23.24 O ANISOU 783 OD1 ASP A 348 3032 2474 3322 -665 369 -112 O ATOM 784 OD2 ASP A 348 49.355 69.731 28.112 1.00 19.58 O ANISOU 784 OD2 ASP A 348 2668 1869 2902 -694 559 -30 O ATOM 0 H ASP A 348 44.715 68.704 28.165 1.00 21.80 H new ATOM 0 HA ASP A 348 46.287 68.371 30.216 1.00 22.39 H new ATOM 0 HB2 ASP A 348 47.108 68.057 28.050 1.00 17.53 H new ATOM 0 HB3 ASP A 348 46.899 69.568 27.724 1.00 17.53 H new ATOM 789 N LEU A 349 45.593 71.419 29.529 1.00 21.74 N ANISOU 789 N LEU A 349 3310 1906 3043 -465 482 -78 N ATOM 790 CA LEU A 349 45.657 72.790 30.020 1.00 26.68 C ANISOU 790 CA LEU A 349 4047 2378 3711 -545 551 -146 C ATOM 791 C LEU A 349 44.890 72.950 31.333 1.00 35.57 C ANISOU 791 C LEU A 349 5193 3520 4803 -518 498 -241 C ATOM 792 O LEU A 349 45.123 73.900 32.077 1.00 36.12 O ANISOU 792 O LEU A 349 5333 3493 4898 -619 540 -345 O ATOM 793 CB LEU A 349 45.119 73.763 28.967 1.00 28.83 C ANISOU 793 CB LEU A 349 4484 2469 4001 -469 659 -55 C ATOM 794 CG LEU A 349 45.865 73.816 27.626 1.00 41.98 C ANISOU 794 CG LEU A 349 6167 4100 5683 -509 739 43 C ATOM 795 CD1 LEU A 349 45.401 75.003 26.795 1.00 65.99 C ANISOU 795 CD1 LEU A 349 9395 6939 8739 -452 852 137 C ATOM 796 CD2 LEU A 349 47.372 73.870 27.813 1.00 31.56 C ANISOU 796 CD2 LEU A 349 4753 2811 4429 -707 774 -22 C ATOM 0 H LEU A 349 45.180 71.326 28.781 1.00 21.74 H new ATOM 0 HA LEU A 349 46.589 72.998 30.192 1.00 26.68 H new ATOM 0 HB2 LEU A 349 44.193 73.534 28.789 1.00 28.83 H new ATOM 0 HB3 LEU A 349 45.122 74.654 29.350 1.00 28.83 H new ATOM 0 HG LEU A 349 45.654 72.996 27.153 1.00 41.98 H new ATOM 0 HD11 LEU A 349 45.884 75.018 25.954 1.00 65.99 H new ATOM 0 HD12 LEU A 349 44.450 74.924 26.620 1.00 65.99 H new ATOM 0 HD13 LEU A 349 45.573 75.825 27.280 1.00 65.99 H new ATOM 0 HD21 LEU A 349 47.805 73.902 26.946 1.00 31.56 H new ATOM 0 HD22 LEU A 349 47.607 74.662 28.321 1.00 31.56 H new ATOM 0 HD23 LEU A 349 47.667 73.080 28.292 1.00 31.56 H new ATOM 808 N ASER A 350 43.904 72.105 31.614 0.75 38.80 N ANISOU 808 N ASER A 350 5545 4048 5148 -395 417 -213 N ATOM 809 N BSER A 350 43.953 72.033 31.547 0.25 39.88 N ANISOU 809 N BSER A 350 5694 4173 5287 -387 424 -208 N ATOM 810 CA ASER A 350 43.284 72.046 32.935 0.75 39.38 C ANISOU 810 CA ASER A 350 5621 4168 5175 -374 373 -298 C ATOM 811 CA BSER A 350 43.253 71.919 32.825 0.25 40.88 C ANISOU 811 CA BSER A 350 5796 4376 5362 -372 364 -290 C ATOM 812 C ASER A 350 44.259 71.611 34.019 0.75 41.69 C ANISOU 812 C ASER A 350 5809 4590 5440 -518 296 -389 C ATOM 813 C BSER A 350 44.187 71.558 33.965 0.25 43.76 C ANISOU 813 C BSER A 350 6076 4840 5712 -528 304 -388 C ATOM 814 O ASER A 350 44.142 72.039 35.161 0.75 41.29 O ANISOU 814 O ASER A 350 5797 4537 5356 -589 292 -503 O ATOM 815 O BSER A 350 44.062 72.074 35.069 0.25 45.50 O ANISOU 815 O BSER A 350 6333 5065 5892 -579 296 -493 O ATOM 816 CB ASER A 350 42.083 71.100 32.924 0.75 26.49 C ANISOU 816 CB ASER A 350 3943 2638 3483 -220 316 -233 C ATOM 817 CB BSER A 350 42.166 70.849 32.735 0.25 33.12 C ANISOU 817 CB BSER A 350 4731 3534 4319 -249 285 -225 C ATOM 818 OG ASER A 350 42.489 69.763 33.113 0.75 32.32 O ANISOU 818 OG ASER A 350 4553 3540 4189 -243 224 -210 O ATOM 819 OG BSER A 350 41.343 70.872 33.873 0.25 25.81 O ANISOU 819 OG BSER A 350 3841 2612 3353 -177 286 -266 O ATOM 0 H ASER A 350 43.575 71.550 31.046 0.75 39.88 H new ATOM 0 H BSER A 350 43.704 71.459 30.957 0.25 39.88 H new ATOM 0 HA ASER A 350 42.992 72.947 33.143 0.75 40.88 H new ATOM 0 HA BSER A 350 42.866 72.789 33.009 0.25 40.88 H new ATOM 0 HB2ASER A 350 41.461 71.354 33.623 0.75 33.12 H new ATOM 0 HB2BSER A 350 41.629 70.994 31.940 0.25 33.12 H new ATOM 0 HB3ASER A 350 41.611 71.182 32.081 0.75 33.12 H new ATOM 0 HB3BSER A 350 42.575 69.974 32.645 0.25 33.12 H new ATOM 0 HG ASER A 350 42.893 69.493 32.428 0.75 25.81 H new ATOM 0 HG BSER A 350 40.570 70.618 33.665 0.25 25.81 H new ATOM 830 N GLY A 351 45.092 70.627 33.704 1.00 33.85 N ANISOU 830 N GLY A 351 4686 3717 4459 -555 237 -338 N ATOM 831 CA GLY A 351 46.069 70.133 34.658 1.00 32.75 C ANISOU 831 CA GLY A 351 4420 3726 4299 -671 149 -390 C ATOM 832 C GLY A 351 45.448 69.437 35.856 1.00 36.81 C ANISOU 832 C GLY A 351 4897 4371 4718 -630 58 -413 C ATOM 833 O GLY A 351 46.033 69.417 36.940 1.00 54.95 O ANISOU 833 O GLY A 351 7136 6778 6963 -736 -13 -481 O ATOM 0 H AGLY A 351 45.106 70.232 32.940 0.75 33.85 H new ATOM 0 H BGLY A 351 45.156 70.250 32.934 0.25 33.85 H new ATOM 0 HA2 GLY A 351 46.666 69.515 34.208 1.00 32.75 H new ATOM 0 HA3 GLY A 351 46.611 70.875 34.969 1.00 32.75 H new ATOM 837 N GLU A 352 44.267 68.860 35.662 1.00 25.72 N ANISOU 837 N GLU A 352 3522 2969 3280 -488 58 -352 N ATOM 838 CA GLU A 352 43.539 68.227 36.756 1.00 24.43 C ANISOU 838 CA GLU A 352 3338 2919 3024 -449 -4 -364 C ATOM 839 C GLU A 352 43.043 66.831 36.386 1.00 22.60 C ANISOU 839 C GLU A 352 3038 2765 2784 -345 -48 -253 C ATOM 840 O GLU A 352 42.256 66.232 37.118 1.00 21.29 O ANISOU 840 O GLU A 352 2864 2678 2549 -302 -81 -241 O ATOM 841 CB GLU A 352 42.362 69.107 37.174 1.00 27.47 C ANISOU 841 CB GLU A 352 3842 3222 3373 -398 65 -433 C ATOM 842 CG GLU A 352 42.778 70.472 37.698 1.00 29.81 C ANISOU 842 CG GLU A 352 4235 3418 3673 -509 124 -566 C ATOM 843 CD GLU A 352 41.615 71.442 37.786 1.00 71.30 C ANISOU 843 CD GLU A 352 9624 8535 8930 -419 231 -620 C ATOM 844 OE1 GLU A 352 41.862 72.657 37.936 1.00 95.69 O ANISOU 844 OE1 GLU A 352 12827 11478 12052 -489 314 -722 O ATOM 845 OE2 GLU A 352 40.455 70.988 37.704 1.00 44.10 O ANISOU 845 OE2 GLU A 352 6167 5126 5464 -279 239 -560 O ATOM 0 H GLU A 352 43.868 68.824 34.901 1.00 25.72 H new ATOM 0 HA GLU A 352 44.155 68.128 37.499 1.00 24.43 H new ATOM 0 HB2 GLU A 352 41.772 69.227 36.414 1.00 27.47 H new ATOM 0 HB3 GLU A 352 41.852 68.648 37.859 1.00 27.47 H new ATOM 0 HG2 GLU A 352 43.177 70.370 38.576 1.00 29.81 H new ATOM 0 HG3 GLU A 352 43.461 70.843 37.118 1.00 29.81 H new ATOM 852 N LEU A 353 43.503 66.323 35.248 1.00 18.09 N ANISOU 852 N LEU A 353 2428 2165 2279 -315 -35 -180 N ATOM 853 CA LEU A 353 43.195 64.960 34.821 1.00 14.69 C ANISOU 853 CA LEU A 353 1946 1787 1850 -238 -65 -93 C ATOM 854 C LEU A 353 44.498 64.234 34.524 1.00 26.66 C ANISOU 854 C LEU A 353 3362 3344 3422 -266 -89 -49 C ATOM 855 O LEU A 353 45.476 64.860 34.120 1.00 25.01 O ANISOU 855 O LEU A 353 3129 3105 3268 -329 -57 -72 O ATOM 856 CB LEU A 353 42.294 64.955 33.581 1.00 15.02 C ANISOU 856 CB LEU A 353 2048 1753 1905 -156 -12 -52 C ATOM 857 CG LEU A 353 40.845 65.416 33.744 1.00 20.91 C ANISOU 857 CG LEU A 353 2856 2483 2607 -90 6 -64 C ATOM 858 CD1 LEU A 353 40.168 65.492 32.388 1.00 22.72 C ANISOU 858 CD1 LEU A 353 3125 2662 2846 -17 40 -11 C ATOM 859 CD2 LEU A 353 40.079 64.485 34.667 1.00 23.23 C ANISOU 859 CD2 LEU A 353 3105 2877 2842 -71 -41 -52 C ATOM 0 H LEU A 353 44.003 66.758 34.700 1.00 18.09 H new ATOM 0 HA LEU A 353 42.715 64.508 35.533 1.00 14.69 H new ATOM 0 HB2 LEU A 353 42.711 65.517 32.909 1.00 15.02 H new ATOM 0 HB3 LEU A 353 42.280 64.052 33.227 1.00 15.02 H new ATOM 0 HG LEU A 353 40.848 66.299 34.145 1.00 20.91 H new ATOM 0 HD11 LEU A 353 39.250 65.785 32.500 1.00 22.72 H new ATOM 0 HD12 LEU A 353 40.642 66.124 31.824 1.00 22.72 H new ATOM 0 HD13 LEU A 353 40.179 64.616 31.971 1.00 22.72 H new ATOM 0 HD21 LEU A 353 39.165 64.797 34.755 1.00 23.23 H new ATOM 0 HD22 LEU A 353 40.080 63.589 34.297 1.00 23.23 H new ATOM 0 HD23 LEU A 353 40.502 64.474 35.540 1.00 23.23 H new ATOM 871 N ARG A 354 44.494 62.926 34.724 1.00 16.81 N ANISOU 871 N ARG A 354 2057 2159 2172 -217 -131 17 N ATOM 872 CA ARG A 354 45.643 62.117 34.457 1.00 14.51 C ANISOU 872 CA ARG A 354 1666 1900 1946 -206 -142 70 C ATOM 873 C ARG A 354 45.320 60.707 33.951 1.00 14.07 C ANISOU 873 C ARG A 354 1610 1821 1915 -120 -127 141 C ATOM 874 O ARG A 354 44.254 60.229 34.162 1.00 14.84 O ANISOU 874 O ARG A 354 1762 1911 1963 -91 -137 155 O ATOM 875 CB ARG A 354 46.510 62.094 35.695 1.00 25.42 C ANISOU 875 CB ARG A 354 2947 3404 3307 -260 -228 74 C ATOM 876 CG ARG A 354 46.337 60.944 36.606 1.00 28.49 C ANISOU 876 CG ARG A 354 3296 3876 3653 -207 -300 153 C ATOM 877 CD ARG A 354 47.417 60.976 37.673 1.00 38.96 C ANISOU 877 CD ARG A 354 4502 5348 4954 -259 -398 173 C ATOM 878 NE ARG A 354 47.269 62.086 38.570 1.00 61.25 N ANISOU 878 NE ARG A 354 7360 8232 7681 -369 -440 76 N ATOM 879 CZ ARG A 354 48.283 62.774 39.064 1.00 75.67 C ANISOU 879 CZ ARG A 354 9102 10154 9496 -477 -497 25 C ATOM 880 NH1 ARG A 354 49.529 62.442 38.742 1.00 50.56 N ANISOU 880 NH1 ARG A 354 5770 7037 6404 -476 -523 79 N ATOM 881 NH2 ARG A 354 48.044 63.790 39.880 1.00 59.43 N ANISOU 881 NH2 ARG A 354 7108 8133 7341 -590 -520 -88 N ATOM 0 H ARG A 354 43.815 62.489 35.021 1.00 16.81 H new ATOM 0 HA ARG A 354 46.125 62.521 33.718 1.00 14.51 H new ATOM 0 HB2 ARG A 354 47.438 62.121 35.415 1.00 25.42 H new ATOM 0 HB3 ARG A 354 46.341 62.906 36.198 1.00 25.42 H new ATOM 0 HG2 ARG A 354 45.460 60.975 37.019 1.00 28.49 H new ATOM 0 HG3 ARG A 354 46.386 60.114 36.107 1.00 28.49 H new ATOM 0 HD2 ARG A 354 47.392 60.149 38.179 1.00 38.96 H new ATOM 0 HD3 ARG A 354 48.287 61.022 37.247 1.00 38.96 H new ATOM 0 HE ARG A 354 46.473 62.317 38.800 1.00 61.25 H new ATOM 0 HH11 ARG A 354 49.674 61.780 38.213 1.00 50.56 H new ATOM 0 HH12 ARG A 354 50.190 62.889 39.063 1.00 50.56 H new ATOM 0 HH21 ARG A 354 47.234 63.997 40.084 1.00 59.43 H new ATOM 0 HH22 ARG A 354 48.698 64.243 40.206 1.00 59.43 H new ATOM 895 N LYS A 355 46.269 60.086 33.269 1.00 14.37 N ANISOU 895 N LYS A 355 1586 1840 2033 -87 -88 177 N ATOM 896 CA LYS A 355 46.089 58.713 32.852 1.00 21.03 C ANISOU 896 CA LYS A 355 2442 2639 2910 -9 -60 232 C ATOM 897 C LYS A 355 45.764 57.878 34.072 1.00 17.83 C ANISOU 897 C LYS A 355 2016 2288 2471 18 -134 295 C ATOM 898 O LYS A 355 46.395 58.034 35.060 1.00 16.08 O ANISOU 898 O LYS A 355 1713 2161 2236 3 -205 325 O ATOM 899 CB LYS A 355 47.350 58.173 32.212 1.00 19.49 C ANISOU 899 CB LYS A 355 2162 2427 2816 37 -2 262 C ATOM 900 CG LYS A 355 47.255 56.758 31.759 1.00 17.72 C ANISOU 900 CG LYS A 355 1967 2127 2639 122 52 304 C ATOM 901 CD LYS A 355 48.453 56.335 30.933 1.00 30.38 C ANISOU 901 CD LYS A 355 3499 3698 4347 180 145 316 C ATOM 902 CE LYS A 355 49.569 55.873 31.807 1.00 37.55 C ANISOU 902 CE LYS A 355 4249 4684 5334 244 98 401 C ATOM 903 NZ LYS A 355 50.614 55.138 31.061 1.00 65.98 N ANISOU 903 NZ LYS A 355 7774 8240 9056 341 206 428 N ATOM 0 H LYS A 355 47.018 60.441 33.040 1.00 14.37 H new ATOM 0 HA LYS A 355 45.370 58.673 32.202 1.00 21.03 H new ATOM 0 HB2 LYS A 355 47.577 58.730 31.451 1.00 19.49 H new ATOM 0 HB3 LYS A 355 48.080 58.249 32.847 1.00 19.49 H new ATOM 0 HG2 LYS A 355 47.177 56.178 32.532 1.00 17.72 H new ATOM 0 HG3 LYS A 355 46.447 56.642 31.235 1.00 17.72 H new ATOM 0 HD2 LYS A 355 48.197 55.623 30.327 1.00 30.38 H new ATOM 0 HD3 LYS A 355 48.752 57.079 30.387 1.00 30.38 H new ATOM 0 HE2 LYS A 355 49.969 56.640 32.246 1.00 37.55 H new ATOM 0 HE3 LYS A 355 49.213 55.301 32.505 1.00 37.55 H new ATOM 0 HZ1 LYS A 355 51.263 54.896 31.620 1.00 65.98 H new ATOM 0 HZ2 LYS A 355 50.258 54.412 30.688 1.00 65.98 H new ATOM 0 HZ3 LYS A 355 50.950 55.663 30.426 1.00 65.98 H new ATOM 917 N GLY A 356 44.769 57.021 33.979 1.00 14.11 N ANISOU 917 N GLY A 356 1621 1764 1976 44 -118 316 N ATOM 918 CA GLY A 356 44.369 56.185 35.097 1.00 16.13 C ANISOU 918 CA GLY A 356 1877 2057 2196 62 -170 390 C ATOM 919 C GLY A 356 43.154 56.709 35.836 1.00 15.43 C ANISOU 919 C GLY A 356 1840 2022 2000 7 -204 359 C ATOM 920 O GLY A 356 42.594 56.013 36.682 1.00 15.17 O ANISOU 920 O GLY A 356 1826 2016 1922 8 -228 417 O ATOM 0 H GLY A 356 44.303 56.904 33.266 1.00 14.11 H new ATOM 0 HA2 GLY A 356 44.181 55.291 34.772 1.00 16.13 H new ATOM 0 HA3 GLY A 356 45.110 56.111 35.718 1.00 16.13 H new ATOM 924 N ASP A 357 42.747 57.937 35.529 1.00 17.22 N ANISOU 924 N ASP A 357 2092 2259 2192 -34 -194 273 N ATOM 925 CA ASP A 357 41.498 58.477 36.059 1.00 13.86 C ANISOU 925 CA ASP A 357 1713 1872 1682 -63 -200 234 C ATOM 926 C ASP A 357 40.309 57.746 35.458 1.00 15.33 C ANISOU 926 C ASP A 357 1945 2014 1865 -56 -163 244 C ATOM 927 O ASP A 357 40.258 57.521 34.247 1.00 15.52 O ANISOU 927 O ASP A 357 1995 1970 1932 -45 -125 226 O ATOM 928 CB ASP A 357 41.364 59.974 35.760 1.00 14.76 C ANISOU 928 CB ASP A 357 1852 1977 1780 -86 -181 149 C ATOM 929 CG ASP A 357 42.095 60.846 36.758 1.00 17.72 C ANISOU 929 CG ASP A 357 2201 2415 2119 -134 -221 109 C ATOM 930 OD1 ASP A 357 42.359 60.392 37.892 1.00 16.83 O ANISOU 930 OD1 ASP A 357 2053 2391 1951 -152 -278 144 O ATOM 931 OD2 ASP A 357 42.393 62.007 36.406 1.00 17.75 O ANISOU 931 OD2 ASP A 357 2226 2378 2140 -164 -194 41 O ATOM 0 H ASP A 357 43.179 58.474 35.015 1.00 17.22 H new ATOM 0 HA ASP A 357 41.513 58.350 37.021 1.00 13.86 H new ATOM 0 HB2 ASP A 357 41.707 60.153 34.870 1.00 14.76 H new ATOM 0 HB3 ASP A 357 40.424 60.215 35.756 1.00 14.76 H new ATOM 936 N GLN A 358 39.351 57.378 36.301 1.00 13.87 N ANISOU 936 N GLN A 358 1769 1881 1619 -75 -172 266 N ATOM 937 CA GLN A 358 38.070 56.891 35.811 1.00 12.75 C ANISOU 937 CA GLN A 358 1651 1727 1468 -95 -141 260 C ATOM 938 C GLN A 358 37.118 58.069 35.671 1.00 13.11 C ANISOU 938 C GLN A 358 1690 1821 1470 -88 -131 197 C ATOM 939 O GLN A 358 37.027 58.906 36.568 1.00 16.05 O ANISOU 939 O GLN A 358 2056 2248 1795 -82 -134 170 O ATOM 940 CB GLN A 358 37.470 55.841 36.748 1.00 14.26 C ANISOU 940 CB GLN A 358 1846 1947 1625 -129 -138 326 C ATOM 941 CG GLN A 358 36.162 55.259 36.224 1.00 14.47 C ANISOU 941 CG GLN A 358 1879 1969 1650 -178 -104 313 C ATOM 942 CD GLN A 358 35.515 54.284 37.184 1.00 24.97 C ANISOU 942 CD GLN A 358 3216 3323 2947 -232 -83 381 C ATOM 943 OE1 GLN A 358 36.094 53.919 38.203 1.00 21.95 O ANISOU 943 OE1 GLN A 358 2848 2952 2541 -219 -96 455 O ATOM 944 NE2 GLN A 358 34.300 53.860 36.861 1.00 17.18 N ANISOU 944 NE2 GLN A 358 2215 2357 1956 -300 -52 363 N ATOM 0 H GLN A 358 39.423 57.403 37.158 1.00 13.87 H new ATOM 0 HA GLN A 358 38.209 56.466 34.950 1.00 12.75 H new ATOM 0 HB2 GLN A 358 38.110 55.124 36.875 1.00 14.26 H new ATOM 0 HB3 GLN A 358 37.316 56.241 37.618 1.00 14.26 H new ATOM 0 HG2 GLN A 358 35.543 55.983 36.042 1.00 14.47 H new ATOM 0 HG3 GLN A 358 36.330 54.810 35.381 1.00 14.47 H new ATOM 0 HE21 GLN A 358 33.926 54.138 36.138 1.00 17.18 H new ATOM 0 HE22 GLN A 358 33.887 53.307 37.374 1.00 17.18 H new ATOM 953 N ILE A 359 36.418 58.136 34.544 1.00 12.62 N ANISOU 953 N ILE A 359 1633 1741 1422 -83 -116 173 N ATOM 954 CA ILE A 359 35.402 59.159 34.345 1.00 16.21 C ANISOU 954 CA ILE A 359 2067 2246 1845 -51 -107 139 C ATOM 955 C ILE A 359 34.110 58.671 34.983 1.00 15.74 C ANISOU 955 C ILE A 359 1959 2274 1748 -80 -97 152 C ATOM 956 O ILE A 359 33.482 57.738 34.487 1.00 20.00 O ANISOU 956 O ILE A 359 2479 2828 2292 -131 -101 168 O ATOM 957 CB ILE A 359 35.193 59.477 32.855 1.00 14.56 C ANISOU 957 CB ILE A 359 1873 2010 1650 -27 -110 127 C ATOM 958 CG1 ILE A 359 36.528 59.783 32.168 1.00 18.21 C ANISOU 958 CG1 ILE A 359 2384 2385 2150 -15 -99 121 C ATOM 959 CG2 ILE A 359 34.232 60.643 32.691 1.00 15.54 C ANISOU 959 CG2 ILE A 359 1970 2181 1751 38 -104 117 C ATOM 960 CD1 ILE A 359 37.310 60.912 32.794 1.00 24.17 C ANISOU 960 CD1 ILE A 359 3152 3111 2919 7 -87 100 C ATOM 0 H ILE A 359 36.517 57.597 33.882 1.00 12.62 H new ATOM 0 HA ILE A 359 35.692 59.985 34.762 1.00 16.21 H new ATOM 0 HB ILE A 359 34.807 58.695 32.430 1.00 14.56 H new ATOM 0 HG12 ILE A 359 37.075 58.982 32.178 1.00 18.21 H new ATOM 0 HG13 ILE A 359 36.358 59.999 31.238 1.00 18.21 H new ATOM 0 HG21 ILE A 359 34.110 60.832 31.747 1.00 15.54 H new ATOM 0 HG22 ILE A 359 33.377 60.416 33.088 1.00 15.54 H new ATOM 0 HG23 ILE A 359 34.595 61.426 33.133 1.00 15.54 H new ATOM 0 HD11 ILE A 359 38.137 61.043 32.305 1.00 24.17 H new ATOM 0 HD12 ILE A 359 36.784 61.726 32.763 1.00 24.17 H new ATOM 0 HD13 ILE A 359 37.512 60.693 33.717 1.00 24.17 H new ATOM 972 N LEU A 360 33.718 59.301 36.083 1.00 16.09 N ANISOU 972 N LEU A 360 1985 2379 1752 -60 -75 137 N ATOM 973 CA LEU A 360 32.522 58.885 36.805 1.00 15.31 C ANISOU 973 CA LEU A 360 1829 2376 1612 -89 -45 151 C ATOM 974 C LEU A 360 31.274 59.487 36.177 1.00 14.41 C ANISOU 974 C LEU A 360 1640 2329 1505 -41 -31 133 C ATOM 975 O LEU A 360 30.223 58.849 36.142 1.00 16.74 O ANISOU 975 O LEU A 360 1860 2708 1793 -87 -22 151 O ATOM 976 CB LEU A 360 32.613 59.284 38.281 1.00 16.40 C ANISOU 976 CB LEU A 360 1982 2565 1685 -87 -13 138 C ATOM 977 CG LEU A 360 33.812 58.741 39.063 1.00 14.29 C ANISOU 977 CG LEU A 360 1768 2272 1388 -128 -46 174 C ATOM 978 CD1 LEU A 360 33.668 59.072 40.544 1.00 23.01 C ANISOU 978 CD1 LEU A 360 2887 3466 2390 -143 -18 159 C ATOM 979 CD2 LEU A 360 33.984 57.241 38.866 1.00 26.91 C ANISOU 979 CD2 LEU A 360 3374 3833 3016 -183 -63 256 C ATOM 0 H LEU A 360 34.130 59.972 36.429 1.00 16.09 H new ATOM 0 HA LEU A 360 32.461 57.919 36.748 1.00 15.31 H new ATOM 0 HB2 LEU A 360 32.630 60.252 38.333 1.00 16.40 H new ATOM 0 HB3 LEU A 360 31.802 58.990 38.725 1.00 16.40 H new ATOM 0 HG LEU A 360 34.609 59.172 38.717 1.00 14.29 H new ATOM 0 HD11 LEU A 360 34.432 58.724 41.029 1.00 23.01 H new ATOM 0 HD12 LEU A 360 33.624 60.034 40.658 1.00 23.01 H new ATOM 0 HD13 LEU A 360 32.856 58.669 40.888 1.00 23.01 H new ATOM 0 HD21 LEU A 360 34.751 56.933 39.375 1.00 26.91 H new ATOM 0 HD22 LEU A 360 33.187 56.781 39.173 1.00 26.91 H new ATOM 0 HD23 LEU A 360 34.124 57.052 37.925 1.00 26.91 H new ATOM 991 N SER A 361 31.390 60.714 35.678 1.00 14.21 N ANISOU 991 N SER A 361 1631 2270 1499 50 -27 104 N ATOM 992 CA SER A 361 30.259 61.373 35.037 1.00 16.79 C ANISOU 992 CA SER A 361 1882 2661 1838 129 -21 109 C ATOM 993 C SER A 361 30.698 62.549 34.168 1.00 21.06 C ANISOU 993 C SER A 361 2478 3117 2409 226 -26 107 C ATOM 994 O SER A 361 31.790 63.095 34.342 1.00 21.27 O ANISOU 994 O SER A 361 2597 3036 2448 230 -12 80 O ATOM 995 CB SER A 361 29.258 61.853 36.092 1.00 17.69 C ANISOU 995 CB SER A 361 1926 2865 1932 178 49 90 C ATOM 996 OG SER A 361 29.821 62.855 36.924 1.00 18.69 O ANISOU 996 OG SER A 361 2132 2923 2047 231 104 36 O ATOM 0 H SER A 361 32.112 61.180 35.701 1.00 14.21 H new ATOM 0 HA SER A 361 29.835 60.720 34.458 1.00 16.79 H new ATOM 0 HB2 SER A 361 28.466 62.202 35.654 1.00 17.69 H new ATOM 0 HB3 SER A 361 28.973 61.102 36.635 1.00 17.69 H new ATOM 0 HG SER A 361 29.700 63.610 36.575 1.00 18.69 H new ATOM 1002 N VAL A 362 29.862 62.916 33.219 1.00 20.31 N ANISOU 1002 N VAL A 362 2321 3076 2321 296 -50 144 N ATOM 1003 CA VAL A 362 30.060 64.119 32.433 1.00 17.56 C ANISOU 1003 CA VAL A 362 2024 2651 1996 409 -44 168 C ATOM 1004 C VAL A 362 28.762 64.938 32.409 1.00 21.35 C ANISOU 1004 C VAL A 362 2408 3212 2494 550 -19 204 C ATOM 1005 O VAL A 362 27.763 64.434 32.019 1.00 18.41 O ANISOU 1005 O VAL A 362 1909 2982 2102 548 -64 242 O ATOM 1006 CB VAL A 362 30.509 63.812 30.986 1.00 23.88 C ANISOU 1006 CB VAL A 362 2864 3432 2777 380 -109 209 C ATOM 1007 CG1 VAL A 362 29.504 63.014 30.268 1.00 25.24 C ANISOU 1007 CG1 VAL A 362 2931 3753 2908 343 -178 241 C ATOM 1008 CG2 VAL A 362 30.824 65.085 30.256 1.00 23.53 C ANISOU 1008 CG2 VAL A 362 2896 3294 2752 490 -88 250 C ATOM 0 H VAL A 362 29.156 62.472 33.009 1.00 20.31 H new ATOM 0 HA VAL A 362 30.771 64.627 32.854 1.00 17.56 H new ATOM 0 HB VAL A 362 31.318 63.278 31.027 1.00 23.88 H new ATOM 0 HG11 VAL A 362 29.814 62.838 29.366 1.00 25.24 H new ATOM 0 HG12 VAL A 362 29.367 62.173 30.732 1.00 25.24 H new ATOM 0 HG13 VAL A 362 28.667 63.503 30.232 1.00 25.24 H new ATOM 0 HG21 VAL A 362 31.104 64.878 29.351 1.00 23.53 H new ATOM 0 HG22 VAL A 362 30.034 65.647 30.229 1.00 23.53 H new ATOM 0 HG23 VAL A 362 31.538 65.554 30.716 1.00 23.53 H new ATOM 1018 N ASN A 363 28.844 66.183 32.846 1.00 19.53 N ANISOU 1018 N ASN A 363 2236 2882 2303 665 59 187 N ATOM 1019 CA ASN A 363 27.685 67.063 32.964 1.00 19.28 C ANISOU 1019 CA ASN A 363 2120 2897 2307 832 112 220 C ATOM 1020 C ASN A 363 26.512 66.376 33.660 1.00 21.47 C ANISOU 1020 C ASN A 363 2230 3357 2569 815 124 211 C ATOM 1021 O ASN A 363 25.360 66.542 33.263 1.00 23.57 O ANISOU 1021 O ASN A 363 2349 3753 2853 918 110 273 O ATOM 1022 CB ASN A 363 27.252 67.563 31.585 1.00 21.66 C ANISOU 1022 CB ASN A 363 2390 3221 2617 948 52 330 C ATOM 1023 CG ASN A 363 28.288 68.460 30.940 1.00 23.39 C ANISOU 1023 CG ASN A 363 2781 3249 2858 986 73 353 C ATOM 1024 OD1 ASN A 363 29.267 68.852 31.573 1.00 23.93 O ANISOU 1024 OD1 ASN A 363 2978 3163 2950 933 140 277 O ATOM 1025 ND2 ASN A 363 28.069 68.801 29.677 1.00 30.05 N ANISOU 1025 ND2 ASN A 363 3622 4111 3685 1068 15 464 N ATOM 0 H ASN A 363 29.583 66.550 33.087 1.00 19.53 H new ATOM 0 HA ASN A 363 27.953 67.818 33.512 1.00 19.28 H new ATOM 0 HB2 ASN A 363 27.083 66.802 31.007 1.00 21.66 H new ATOM 0 HB3 ASN A 363 26.416 68.048 31.668 1.00 21.66 H new ATOM 0 HD21 ASN A 363 28.623 69.316 29.268 1.00 30.05 H new ATOM 0 HD22 ASN A 363 27.373 68.507 29.267 1.00 30.05 H new ATOM 1032 N GLY A 364 26.811 65.604 34.701 1.00 23.76 N ANISOU 1032 N GLY A 364 2536 3668 2824 685 152 143 N ATOM 1033 CA GLY A 364 25.776 64.983 35.508 1.00 25.61 C ANISOU 1033 CA GLY A 364 2631 4061 3040 652 191 133 C ATOM 1034 C GLY A 364 25.328 63.620 35.009 1.00 26.07 C ANISOU 1034 C GLY A 364 2580 4257 3070 513 104 173 C ATOM 1035 O GLY A 364 24.549 62.935 35.671 1.00 31.89 O ANISOU 1035 O GLY A 364 3206 5121 3790 444 137 168 O ATOM 0 H GLY A 364 27.614 65.429 34.955 1.00 23.76 H new ATOM 0 HA2 GLY A 364 26.101 64.892 36.418 1.00 25.61 H new ATOM 0 HA3 GLY A 364 25.007 65.573 35.539 1.00 25.61 H new ATOM 1039 N VAL A 365 25.817 63.223 33.838 1.00 24.41 N ANISOU 1039 N VAL A 365 2409 4015 2849 460 3 206 N ATOM 1040 CA VAL A 365 25.482 61.920 33.276 1.00 23.40 C ANISOU 1040 CA VAL A 365 2210 3990 2692 309 -75 222 C ATOM 1041 C VAL A 365 26.445 60.864 33.808 1.00 21.23 C ANISOU 1041 C VAL A 365 2050 3621 2397 155 -67 185 C ATOM 1042 O VAL A 365 27.643 60.898 33.527 1.00 19.72 O ANISOU 1042 O VAL A 365 1995 3293 2207 143 -84 172 O ATOM 1043 CB VAL A 365 25.498 61.957 31.739 1.00 22.58 C ANISOU 1043 CB VAL A 365 2103 3910 2568 321 -179 265 C ATOM 1044 CG1 VAL A 365 25.155 60.587 31.162 1.00 44.49 C ANISOU 1044 CG1 VAL A 365 4821 6782 5303 140 -252 252 C ATOM 1045 CG2 VAL A 365 24.522 63.005 31.232 1.00 29.91 C ANISOU 1045 CG2 VAL A 365 2909 4944 3513 495 -196 331 C ATOM 0 H VAL A 365 26.346 63.696 33.352 1.00 24.41 H new ATOM 0 HA VAL A 365 24.581 61.687 33.550 1.00 23.40 H new ATOM 0 HB VAL A 365 26.392 62.194 31.446 1.00 22.58 H new ATOM 0 HG11 VAL A 365 25.170 60.631 30.193 1.00 44.49 H new ATOM 0 HG12 VAL A 365 25.806 59.935 31.466 1.00 44.49 H new ATOM 0 HG13 VAL A 365 24.270 60.323 31.459 1.00 44.49 H new ATOM 0 HG21 VAL A 365 24.539 63.021 30.262 1.00 29.91 H new ATOM 0 HG22 VAL A 365 23.627 62.788 31.536 1.00 29.91 H new ATOM 0 HG23 VAL A 365 24.776 63.876 31.574 1.00 29.91 H new ATOM 1055 N ASP A 366 25.902 59.929 34.580 1.00 21.78 N ANISOU 1055 N ASP A 366 2053 3768 2453 44 -34 179 N ATOM 1056 CA ASP A 366 26.676 58.843 35.172 1.00 20.48 C ANISOU 1056 CA ASP A 366 1988 3519 2272 -89 -21 171 C ATOM 1057 C ASP A 366 27.267 57.932 34.095 1.00 22.76 C ANISOU 1057 C ASP A 366 2346 3736 2567 -187 -90 170 C ATOM 1058 O ASP A 366 26.535 57.379 33.270 1.00 21.71 O ANISOU 1058 O ASP A 366 2135 3685 2427 -264 -137 168 O ATOM 1059 CB ASP A 366 25.785 58.041 36.123 1.00 23.91 C ANISOU 1059 CB ASP A 366 2335 4059 2691 -190 39 184 C ATOM 1060 CG ASP A 366 26.528 56.924 36.829 1.00 21.61 C ANISOU 1060 CG ASP A 366 2154 3675 2382 -310 62 203 C ATOM 1061 OD1 ASP A 366 27.774 56.899 36.782 1.00 22.10 O ANISOU 1061 OD1 ASP A 366 2346 3604 2447 -290 35 203 O ATOM 1062 OD2 ASP A 366 25.857 56.071 37.448 1.00 33.91 O ANISOU 1062 OD2 ASP A 366 3661 5296 3926 -422 110 228 O ATOM 0 H ASP A 366 25.065 59.907 34.777 1.00 21.78 H new ATOM 0 HA ASP A 366 27.416 59.225 35.669 1.00 20.48 H new ATOM 0 HB2 ASP A 366 25.406 58.640 36.785 1.00 23.91 H new ATOM 0 HB3 ASP A 366 25.044 57.665 35.623 1.00 23.91 H new ATOM 1067 N LEU A 367 28.579 57.800 34.071 1.00 19.46 N ANISOU 1067 N LEU A 367 2064 3173 2158 -186 -95 164 N ATOM 1068 CA LEU A 367 29.259 56.944 33.115 1.00 16.96 C ANISOU 1068 CA LEU A 367 1826 2767 1851 -262 -134 154 C ATOM 1069 C LEU A 367 29.982 55.744 33.714 1.00 20.84 C ANISOU 1069 C LEU A 367 2402 3154 2363 -352 -102 169 C ATOM 1070 O LEU A 367 30.696 55.076 33.038 1.00 14.95 O ANISOU 1070 O LEU A 367 1734 2307 1638 -391 -111 157 O ATOM 1071 CB LEU A 367 30.261 57.741 32.315 1.00 19.08 C ANISOU 1071 CB LEU A 367 2174 2948 2127 -174 -157 144 C ATOM 1072 CG LEU A 367 29.812 58.965 31.551 1.00 18.35 C ANISOU 1072 CG LEU A 367 2041 2913 2018 -66 -186 152 C ATOM 1073 CD1 LEU A 367 30.999 59.581 30.846 1.00 26.10 C ANISOU 1073 CD1 LEU A 367 3129 3780 3009 -10 -188 150 C ATOM 1074 CD2 LEU A 367 28.718 58.583 30.598 1.00 21.76 C ANISOU 1074 CD2 LEU A 367 2382 3474 2414 -116 -244 156 C ATOM 0 H LEU A 367 29.107 58.208 34.613 1.00 19.46 H new ATOM 0 HA LEU A 367 28.545 56.593 32.560 1.00 16.96 H new ATOM 0 HB2 LEU A 367 30.960 58.022 32.926 1.00 19.08 H new ATOM 0 HB3 LEU A 367 30.668 57.135 31.676 1.00 19.08 H new ATOM 0 HG LEU A 367 29.453 59.633 32.156 1.00 18.35 H new ATOM 0 HD11 LEU A 367 30.712 60.367 30.355 1.00 26.10 H new ATOM 0 HD12 LEU A 367 31.668 59.836 31.501 1.00 26.10 H new ATOM 0 HD13 LEU A 367 31.380 58.936 30.229 1.00 26.10 H new ATOM 0 HD21 LEU A 367 28.428 59.367 30.106 1.00 21.76 H new ATOM 0 HD22 LEU A 367 29.049 57.916 29.976 1.00 21.76 H new ATOM 0 HD23 LEU A 367 27.969 58.218 31.095 1.00 21.76 H new ATOM 1086 N ARG A 368 29.762 55.498 34.998 1.00 16.65 N ANISOU 1086 N ARG A 368 1855 2650 1821 -373 -57 201 N ATOM 1087 CA ARG A 368 30.436 54.397 35.681 1.00 20.54 C ANISOU 1087 CA ARG A 368 2430 3046 2327 -437 -27 246 C ATOM 1088 C ARG A 368 30.202 53.055 34.993 1.00 19.83 C ANISOU 1088 C ARG A 368 2375 2887 2273 -563 -19 242 C ATOM 1089 O ARG A 368 31.063 52.177 35.027 1.00 23.33 O ANISOU 1089 O ARG A 368 2918 3192 2755 -583 1 271 O ATOM 1090 CB ARG A 368 29.972 54.312 37.133 1.00 16.72 C ANISOU 1090 CB ARG A 368 1919 2635 1800 -457 23 293 C ATOM 1091 CG ARG A 368 30.519 55.414 38.025 1.00 16.15 C ANISOU 1091 CG ARG A 368 1860 2594 1681 -355 26 287 C ATOM 1092 CD ARG A 368 29.907 55.346 39.412 1.00 18.75 C ANISOU 1092 CD ARG A 368 2165 3021 1939 -384 87 320 C ATOM 1093 NE ARG A 368 28.449 55.428 39.354 1.00 19.50 N ANISOU 1093 NE ARG A 368 2143 3237 2030 -421 135 300 N ATOM 1094 CZ ARG A 368 27.618 54.816 40.194 1.00 18.61 C ANISOU 1094 CZ ARG A 368 1987 3205 1879 -506 205 341 C ATOM 1095 NH1 ARG A 368 28.082 54.066 41.187 1.00 28.06 N ANISOU 1095 NH1 ARG A 368 3269 4367 3026 -560 235 416 N ATOM 1096 NH2 ARG A 368 26.310 54.958 40.040 1.00 22.77 N ANISOU 1096 NH2 ARG A 368 2378 3859 2416 -536 247 319 N ATOM 0 H ARG A 368 29.227 55.954 35.493 1.00 16.65 H new ATOM 0 HA ARG A 368 31.387 54.585 35.647 1.00 20.54 H new ATOM 0 HB2 ARG A 368 29.003 54.343 37.155 1.00 16.72 H new ATOM 0 HB3 ARG A 368 30.237 53.453 37.497 1.00 16.72 H new ATOM 0 HG2 ARG A 368 31.484 55.334 38.089 1.00 16.15 H new ATOM 0 HG3 ARG A 368 30.332 56.279 37.628 1.00 16.15 H new ATOM 0 HD2 ARG A 368 30.169 54.518 39.843 1.00 18.75 H new ATOM 0 HD3 ARG A 368 30.252 56.071 39.956 1.00 18.75 H new ATOM 0 HE ARG A 368 28.102 55.908 38.730 1.00 19.50 H new ATOM 0 HH11 ARG A 368 28.930 53.971 41.294 1.00 28.06 H new ATOM 0 HH12 ARG A 368 27.534 53.676 41.723 1.00 28.06 H new ATOM 0 HH21 ARG A 368 26.003 55.443 39.400 1.00 22.77 H new ATOM 0 HH22 ARG A 368 25.768 54.565 40.580 1.00 22.77 H new ATOM 1110 N AASN A 369 29.082 52.965 34.315 0.54 22.45 N ANISOU 1110 N AASN A 369 2623 3313 2593 -640 -35 201 N ATOM 1111 N BASN A 369 29.032 52.910 34.373 0.46 21.12 N ANISOU 1111 N BASN A 369 2452 3147 2424 -647 -31 203 N ATOM 1112 CA AASN A 369 28.664 51.710 33.717 0.54 19.51 C ANISOU 1112 CA AASN A 369 2279 2891 2243 -798 -22 174 C ATOM 1113 CA BASN A 369 28.630 51.654 33.742 0.46 20.86 C ANISOU 1113 CA BASN A 369 2449 3061 2414 -805 -19 175 C ATOM 1114 C AASN A 369 28.461 51.814 32.205 0.54 22.73 C ANISOU 1114 C AASN A 369 2676 3328 2631 -832 -82 94 C ATOM 1115 C BASN A 369 28.411 51.819 32.236 0.46 24.67 C ANISOU 1115 C BASN A 369 2917 3581 2877 -834 -82 96 C ATOM 1116 O AASN A 369 27.889 50.979 31.580 0.54 28.98 O ANISOU 1116 O AASN A 369 3468 4124 3419 -979 -86 44 O ATOM 1117 O BASN A 369 27.780 50.979 31.595 0.46 19.25 O ANISOU 1117 O BASN A 369 2224 2906 2185 -987 -88 44 O ATOM 1118 CB AASN A 369 27.436 51.218 34.441 0.54 27.49 C ANISOU 1118 CB AASN A 369 3195 4005 3244 -919 20 197 C ATOM 1119 CB BASN A 369 27.351 51.125 34.399 0.46 28.05 C ANISOU 1119 CB BASN A 369 3263 4079 3317 -936 21 194 C ATOM 1120 CG AASN A 369 27.740 50.865 35.883 0.54 25.32 C ANISOU 1120 CG AASN A 369 2971 3681 2970 -909 91 285 C ATOM 1121 CG BASN A 369 26.987 49.727 33.935 0.46 39.82 C ANISOU 1121 CG BASN A 369 4806 5485 4840 -1132 52 163 C ATOM 1122 OD1AASN A 369 27.281 51.501 36.823 0.54 26.00 O ANISOU 1122 OD1AASN A 369 2980 3885 3015 -861 117 317 O ATOM 1123 OD1BASN A 369 27.856 48.941 33.560 0.46 84.93 O ANISOU 1123 OD1BASN A 369 10667 11011 10594 -1154 76 152 O ATOM 1124 ND2AASN A 369 28.540 49.872 36.049 0.54 19.90 N ANISOU 1124 ND2AASN A 369 2418 2821 2323 -944 126 327 N ATOM 1125 ND2BASN A 369 25.697 49.414 33.952 0.46 35.96 N ANISOU 1125 ND2BASN A 369 4194 5130 4339 -1279 61 143 N ATOM 0 H AASN A 369 28.542 53.621 34.185 0.54 21.12 H new ATOM 0 H BASN A 369 28.448 53.538 34.306 0.46 21.12 H new ATOM 0 HA AASN A 369 29.374 51.057 33.821 0.54 20.86 H new ATOM 0 HA BASN A 369 29.350 51.017 33.868 0.46 20.86 H new ATOM 0 HB2AASN A 369 26.748 51.901 34.413 0.54 28.05 H new ATOM 0 HB2BASN A 369 27.464 51.122 35.362 0.46 28.05 H new ATOM 0 HB3AASN A 369 27.081 50.439 33.985 0.54 28.05 H new ATOM 0 HB3BASN A 369 26.617 51.728 34.201 0.46 28.05 H new ATOM 0 HD21AASN A 369 28.771 49.634 36.842 0.54 35.96 H new ATOM 0 HD21BASN A 369 25.440 48.635 33.694 0.46 35.96 H new ATOM 0 HD22AASN A 369 28.844 49.446 35.367 0.54 35.96 H new ATOM 0 HD22BASN A 369 25.118 49.990 34.221 0.46 35.96 H new ATOM 1138 N ALA A 370 28.940 52.901 31.674 1.00 19.45 N ANISOU 1138 N ALA A 370 2261 3065 2065 -34 61 763 N ATOM 1139 CA ALA A 370 28.744 53.202 30.261 1.00 19.31 C ANISOU 1139 CA ALA A 370 2108 3125 2104 -186 -49 695 C ATOM 1140 C ALA A 370 29.558 52.281 29.364 1.00 23.01 C ANISOU 1140 C ALA A 370 2700 3447 2597 -341 -204 479 C ATOM 1141 O ALA A 370 30.542 51.681 29.799 1.00 22.48 O ANISOU 1141 O ALA A 370 2790 3215 2538 -268 -215 353 O ATOM 1142 CB ALA A 370 29.113 54.649 29.978 1.00 17.58 C ANISOU 1142 CB ALA A 370 1873 2996 1809 -32 -4 609 C ATOM 0 H AALA A 370 29.389 53.493 32.107 0.54 19.45 H new ATOM 0 H BALA A 370 29.419 53.477 32.097 0.46 19.45 H new ATOM 0 HA ALA A 370 27.806 53.058 30.062 1.00 19.31 H new ATOM 0 HB1 ALA A 370 28.979 54.839 29.036 1.00 17.58 H new ATOM 0 HB2 ALA A 370 28.552 55.236 30.509 1.00 17.58 H new ATOM 0 HB3 ALA A 370 30.044 54.797 30.208 1.00 17.58 H new ATOM 1148 N SER A 371 29.135 52.172 28.109 1.00 21.00 N ANISOU 1148 N SER A 371 2391 3240 2349 -548 -318 450 N ATOM 1149 CA SER A 371 29.943 51.539 27.082 1.00 19.65 C ANISOU 1149 CA SER A 371 2403 2924 2138 -665 -404 205 C ATOM 1150 C SER A 371 30.936 52.567 26.551 1.00 25.57 C ANISOU 1150 C SER A 371 3193 3716 2806 -515 -344 37 C ATOM 1151 O SER A 371 30.699 53.771 26.645 1.00 21.99 O ANISOU 1151 O SER A 371 2616 3419 2320 -409 -302 124 O ATOM 1152 CB SER A 371 29.073 50.999 25.948 1.00 31.18 C ANISOU 1152 CB SER A 371 3873 4405 3571 -978 -576 231 C ATOM 1153 OG SER A 371 28.477 52.060 25.222 1.00 31.35 O ANISOU 1153 OG SER A 371 3748 4645 3518 -1020 -644 333 O ATOM 0 H SER A 371 28.374 52.463 27.833 1.00 21.00 H new ATOM 0 HA SER A 371 30.417 50.784 27.464 1.00 19.65 H new ATOM 0 HB2 SER A 371 29.612 50.456 25.352 1.00 31.18 H new ATOM 0 HB3 SER A 371 28.383 50.422 26.311 1.00 31.18 H new ATOM 0 HG SER A 371 27.769 51.789 24.860 1.00 31.35 H new ATOM 1159 N ALA A 372 32.043 52.094 25.991 1.00 24.28 N ANISOU 1159 N ALA A 372 3198 3390 2639 -499 -310 -186 N ATOM 1160 CA ALA A 372 33.074 52.990 25.480 1.00 23.46 C ANISOU 1160 CA ALA A 372 3104 3303 2506 -367 -219 -317 C ATOM 1161 C ALA A 372 32.513 53.934 24.420 1.00 18.16 C ANISOU 1161 C ALA A 372 2393 2815 1692 -461 -250 -274 C ATOM 1162 O ALA A 372 32.827 55.124 24.415 1.00 19.48 O ANISOU 1162 O ALA A 372 2468 3075 1857 -336 -192 -245 O ATOM 1163 CB ALA A 372 34.232 52.194 24.913 1.00 20.06 C ANISOU 1163 CB ALA A 372 2837 2658 2128 -339 -122 -526 C ATOM 0 H ALA A 372 32.217 51.257 25.897 1.00 24.28 H new ATOM 0 HA ALA A 372 33.394 53.528 26.221 1.00 23.46 H new ATOM 0 HB1 ALA A 372 34.909 52.802 24.577 1.00 20.06 H new ATOM 0 HB2 ALA A 372 34.614 51.638 25.610 1.00 20.06 H new ATOM 0 HB3 ALA A 372 33.915 51.632 24.189 1.00 20.06 H new ATOM 1169 N GLU A 373 31.686 53.420 23.516 1.00 20.88 N ANISOU 1169 N GLU A 373 2820 3195 1918 -698 -371 -255 N ATOM 1170 CA GLU A 373 31.158 54.258 22.434 1.00 25.90 C ANISOU 1170 CA GLU A 373 3442 4007 2394 -805 -451 -183 C ATOM 1171 C GLU A 373 30.192 55.306 22.922 1.00 27.45 C ANISOU 1171 C GLU A 373 3360 4406 2663 -742 -502 86 C ATOM 1172 O GLU A 373 30.250 56.407 22.512 1.00 21.10 O ANISOU 1172 O GLU A 373 2492 3710 1815 -664 -469 148 O ATOM 1173 CB GLU A 373 30.486 53.461 21.316 1.00 29.24 C ANISOU 1173 CB GLU A 373 4058 4417 2635 -1114 -642 -219 C ATOM 1174 CG GLU A 373 29.997 54.398 20.225 1.00 49.30 C ANISOU 1174 CG GLU A 373 6595 7155 4983 -1216 -763 -107 C ATOM 1175 CD GLU A 373 29.332 53.734 19.056 1.00 68.18 C ANISOU 1175 CD GLU A 373 9186 9484 7234 -1458 -945 -115 C ATOM 1176 OE1 GLU A 373 29.108 54.434 18.044 1.00 71.73 O ANISOU 1176 OE1 GLU A 373 9682 10027 7546 -1488 -1000 -40 O ATOM 1177 OE2 GLU A 373 29.022 52.546 19.165 1.00 71.34 O ANISOU 1177 OE2 GLU A 373 9702 9735 7671 -1613 -1036 -182 O ATOM 0 H GLU A 373 31.419 52.602 23.507 1.00 20.88 H new ATOM 0 HA GLU A 373 31.947 54.692 22.073 1.00 25.90 H new ATOM 0 HB2 GLU A 373 31.113 52.820 20.945 1.00 29.24 H new ATOM 0 HB3 GLU A 373 29.741 52.954 21.674 1.00 29.24 H new ATOM 0 HG2 GLU A 373 29.373 55.029 20.617 1.00 49.30 H new ATOM 0 HG3 GLU A 373 30.752 54.912 19.899 1.00 49.30 H new ATOM 1184 N GLN A 374 29.288 54.928 23.801 1.00 21.89 N ANISOU 1184 N GLN A 374 2495 3733 2091 -764 -549 263 N ATOM 1185 CA GLN A 374 28.322 55.896 24.309 1.00 22.38 C ANISOU 1185 CA GLN A 374 2283 3964 2255 -662 -523 540 C ATOM 1186 C GLN A 374 29.016 56.920 25.200 1.00 20.26 C ANISOU 1186 C GLN A 374 2007 3666 2025 -363 -318 494 C ATOM 1187 O GLN A 374 28.623 58.086 25.239 1.00 21.52 O ANISOU 1187 O GLN A 374 2035 3921 2219 -235 -251 636 O ATOM 1188 CB GLN A 374 27.198 55.197 25.074 1.00 29.45 C ANISOU 1188 CB GLN A 374 2998 4886 3307 -745 -557 768 C ATOM 1189 CG GLN A 374 26.199 54.477 24.184 1.00 36.87 C ANISOU 1189 CG GLN A 374 3858 5888 4265 -1082 -827 906 C ATOM 1190 CD GLN A 374 25.452 55.416 23.253 1.00 29.72 C ANISOU 1190 CD GLN A 374 2782 5167 3345 -1143 -968 1110 C ATOM 1191 OE1 GLN A 374 25.064 54.909 22.092 1.00 29.41 O flip ANISOU 1191 OE1 GLN A 374 2559 5228 3387 -913 -822 1268 O ATOM 1192 NE2 GLN A 374 25.230 56.585 23.572 1.00 34.79 N flip ANISOU 1192 NE2 GLN A 374 3574 5755 3889 -1393 -1182 1079 N ATOM 0 H GLN A 374 29.211 54.132 24.116 1.00 21.89 H new ATOM 0 HA GLN A 374 27.929 56.358 23.552 1.00 22.38 H new ATOM 0 HB2 GLN A 374 27.588 54.557 25.690 1.00 29.45 H new ATOM 0 HB3 GLN A 374 26.726 55.854 25.609 1.00 29.45 H new ATOM 0 HG2 GLN A 374 26.665 53.809 23.657 1.00 36.87 H new ATOM 0 HG3 GLN A 374 25.560 54.004 24.740 1.00 36.87 H new ATOM 0 HE21 GLN A 374 25.497 56.881 24.334 1.00 34.79 H new ATOM 0 HE22 GLN A 374 24.808 57.105 23.032 1.00 34.79 H new ATOM 1201 N ALA A 375 30.052 56.484 25.907 1.00 20.33 N ANISOU 1201 N ALA A 375 2166 3519 2038 -261 -240 304 N ATOM 1202 CA ALA A 375 30.865 57.397 26.699 1.00 18.71 C ANISOU 1202 CA ALA A 375 2002 3256 1850 -34 -123 228 C ATOM 1203 C ALA A 375 31.479 58.459 25.791 1.00 14.82 C ANISOU 1203 C ALA A 375 1515 2788 1327 -3 -104 157 C ATOM 1204 O ALA A 375 31.455 59.649 26.104 1.00 15.53 O ANISOU 1204 O ALA A 375 1563 2895 1443 137 -31 214 O ATOM 1205 CB ALA A 375 31.951 56.638 27.444 1.00 20.90 C ANISOU 1205 CB ALA A 375 2419 3365 2156 25 -125 64 C ATOM 0 H ALA A 375 30.301 55.662 25.941 1.00 20.33 H new ATOM 0 HA ALA A 375 30.299 57.833 27.356 1.00 18.71 H new ATOM 0 HB1 ALA A 375 32.482 57.261 27.965 1.00 20.90 H new ATOM 0 HB2 ALA A 375 31.543 55.987 28.036 1.00 20.90 H new ATOM 0 HB3 ALA A 375 32.522 56.181 26.807 1.00 20.90 H new ATOM 1211 N ALA A 376 32.020 58.019 24.659 1.00 16.96 N ANISOU 1211 N ALA A 376 1870 3037 1536 -133 -143 37 N ATOM 1212 CA ALA A 376 32.642 58.929 23.705 1.00 17.33 C ANISOU 1212 CA ALA A 376 1941 3104 1540 -119 -89 -7 C ATOM 1213 C ALA A 376 31.612 59.907 23.154 1.00 17.43 C ANISOU 1213 C ALA A 376 1840 3278 1505 -139 -132 209 C ATOM 1214 O ALA A 376 31.890 61.096 22.996 1.00 20.21 O ANISOU 1214 O ALA A 376 2154 3633 1891 -35 -59 257 O ATOM 1215 CB ALA A 376 33.295 58.150 22.575 1.00 17.44 C ANISOU 1215 CB ALA A 376 2119 3060 1448 -247 -67 -163 C ATOM 0 H ALA A 376 32.037 57.192 24.424 1.00 16.96 H new ATOM 0 HA ALA A 376 33.330 59.435 24.166 1.00 17.33 H new ATOM 0 HB1 ALA A 376 33.704 58.768 21.949 1.00 17.44 H new ATOM 0 HB2 ALA A 376 33.975 57.561 22.938 1.00 17.44 H new ATOM 0 HB3 ALA A 376 32.623 57.622 22.115 1.00 17.44 H new ATOM 1221 N ILE A 377 30.421 59.395 22.863 1.00 19.47 N ANISOU 1221 N ILE A 377 2025 3654 1720 -281 -267 367 N ATOM 1222 CA ILE A 377 29.335 60.217 22.346 1.00 19.38 C ANISOU 1222 CA ILE A 377 1845 3805 1715 -303 -349 637 C ATOM 1223 C ILE A 377 28.975 61.284 23.374 1.00 20.79 C ANISOU 1223 C ILE A 377 1863 3972 2062 -55 -196 779 C ATOM 1224 O ILE A 377 28.815 62.458 23.037 1.00 22.12 O ANISOU 1224 O ILE A 377 1960 4173 2270 48 -148 912 O ATOM 1225 CB ILE A 377 28.116 59.346 21.980 1.00 23.70 C ANISOU 1225 CB ILE A 377 2289 4467 2249 -532 -569 810 C ATOM 1226 CG1 ILE A 377 28.447 58.476 20.764 1.00 32.98 C ANISOU 1226 CG1 ILE A 377 3720 5625 3188 -795 -735 648 C ATOM 1227 CG2 ILE A 377 26.885 60.211 21.693 1.00 32.86 C ANISOU 1227 CG2 ILE A 377 3189 5768 3530 -513 -641 1153 C ATOM 1228 CD1 ILE A 377 27.430 57.391 20.479 1.00 38.42 C ANISOU 1228 CD1 ILE A 377 4402 6292 3906 -1046 -942 724 C ATOM 0 H ILE A 377 30.221 58.564 22.959 1.00 19.47 H new ATOM 0 HA ILE A 377 29.624 60.658 21.532 1.00 19.38 H new ATOM 0 HB ILE A 377 27.910 58.775 22.737 1.00 23.70 H new ATOM 0 HG12 ILE A 377 28.524 59.046 19.983 1.00 32.98 H new ATOM 0 HG13 ILE A 377 29.314 58.064 20.901 1.00 32.98 H new ATOM 0 HG21 ILE A 377 26.134 59.640 21.466 1.00 32.86 H new ATOM 0 HG22 ILE A 377 26.666 60.734 22.480 1.00 32.86 H new ATOM 0 HG23 ILE A 377 27.074 60.807 20.951 1.00 32.86 H new ATOM 0 HD11 ILE A 377 27.707 56.885 19.699 1.00 38.42 H new ATOM 0 HD12 ILE A 377 27.367 56.797 21.244 1.00 38.42 H new ATOM 0 HD13 ILE A 377 26.564 57.795 20.311 1.00 38.42 H new ATOM 1240 N ALA A 378 28.856 60.869 24.631 1.00 23.78 N ANISOU 1240 N ALA A 378 2230 4282 2523 47 -101 751 N ATOM 1241 CA ALA A 378 28.507 61.782 25.712 1.00 20.25 C ANISOU 1241 CA ALA A 378 1726 3789 2179 293 88 850 C ATOM 1242 C ALA A 378 29.537 62.898 25.850 1.00 23.60 C ANISOU 1242 C ALA A 378 2297 4077 2592 437 181 693 C ATOM 1243 O ALA A 378 29.181 64.066 26.008 1.00 19.61 O ANISOU 1243 O ALA A 378 1750 3540 2161 600 300 809 O ATOM 1244 CB ALA A 378 28.381 61.021 27.020 1.00 25.08 C ANISOU 1244 CB ALA A 378 2396 4336 2799 358 178 813 C ATOM 0 H ALA A 378 28.975 60.054 24.880 1.00 23.78 H new ATOM 0 HA ALA A 378 27.653 62.188 25.496 1.00 20.25 H new ATOM 0 HB1 ALA A 378 28.149 61.637 27.732 1.00 25.08 H new ATOM 0 HB2 ALA A 378 27.688 60.347 26.937 1.00 25.08 H new ATOM 0 HB3 ALA A 378 29.226 60.592 27.227 1.00 25.08 H new ATOM 1250 N LEU A 379 30.813 62.531 25.790 1.00 18.28 N ANISOU 1250 N LEU A 379 1779 3302 1865 376 129 447 N ATOM 1251 CA LEU A 379 31.896 63.497 25.938 1.00 21.01 C ANISOU 1251 CA LEU A 379 2231 3503 2249 463 177 309 C ATOM 1252 C LEU A 379 31.978 64.440 24.740 1.00 18.02 C ANISOU 1252 C LEU A 379 1795 3162 1892 432 191 401 C ATOM 1253 O LEU A 379 32.144 65.648 24.901 1.00 21.99 O ANISOU 1253 O LEU A 379 2321 3562 2473 546 269 432 O ATOM 1254 CB LEU A 379 33.227 62.766 26.131 1.00 21.20 C ANISOU 1254 CB LEU A 379 2354 3420 2282 397 108 85 C ATOM 1255 CG LEU A 379 33.363 62.071 27.490 1.00 18.08 C ANISOU 1255 CG LEU A 379 2057 2946 1867 457 73 7 C ATOM 1256 CD1 LEU A 379 34.419 60.982 27.456 1.00 15.01 C ANISOU 1256 CD1 LEU A 379 1696 2488 1521 376 -17 -137 C ATOM 1257 CD2 LEU A 379 33.684 63.092 28.573 1.00 17.42 C ANISOU 1257 CD2 LEU A 379 2114 2721 1784 594 94 -50 C ATOM 0 H LEU A 379 31.074 61.721 25.663 1.00 18.28 H new ATOM 0 HA LEU A 379 31.709 64.036 26.723 1.00 21.01 H new ATOM 0 HB2 LEU A 379 33.328 62.105 25.428 1.00 21.20 H new ATOM 0 HB3 LEU A 379 33.953 63.402 26.029 1.00 21.20 H new ATOM 0 HG LEU A 379 32.514 61.649 27.695 1.00 18.08 H new ATOM 0 HD11 LEU A 379 34.480 60.563 28.329 1.00 15.01 H new ATOM 0 HD12 LEU A 379 34.176 60.316 26.794 1.00 15.01 H new ATOM 0 HD13 LEU A 379 35.277 61.370 27.223 1.00 15.01 H new ATOM 0 HD21 LEU A 379 33.768 62.642 29.428 1.00 17.42 H new ATOM 0 HD22 LEU A 379 34.518 63.538 28.360 1.00 17.42 H new ATOM 0 HD23 LEU A 379 32.971 63.747 28.622 1.00 17.42 H new ATOM 1269 N LYS A 380 31.853 63.886 23.540 1.00 18.84 N ANISOU 1269 N LYS A 380 1864 3392 1902 272 112 447 N ATOM 1270 CA LYS A 380 31.934 64.680 22.320 1.00 18.04 C ANISOU 1270 CA LYS A 380 1751 3343 1759 225 118 558 C ATOM 1271 C LYS A 380 30.758 65.649 22.184 1.00 22.36 C ANISOU 1271 C LYS A 380 2157 3968 2370 320 119 846 C ATOM 1272 O LYS A 380 30.879 66.691 21.541 1.00 23.95 O ANISOU 1272 O LYS A 380 2352 4147 2600 360 160 966 O ATOM 1273 CB LYS A 380 31.993 63.766 21.095 1.00 19.20 C ANISOU 1273 CB LYS A 380 1981 3602 1712 21 27 530 C ATOM 1274 CG LYS A 380 33.318 63.047 20.914 1.00 20.70 C ANISOU 1274 CG LYS A 380 2312 3681 1873 -30 112 277 C ATOM 1275 CD LYS A 380 33.279 62.134 19.702 1.00 25.82 C ANISOU 1275 CD LYS A 380 3126 4403 2281 -215 69 226 C ATOM 1276 CE LYS A 380 34.672 61.725 19.262 1.00 49.40 C ANISOU 1276 CE LYS A 380 6250 7261 5261 -211 261 21 C ATOM 1277 NZ LYS A 380 34.625 60.828 18.076 1.00 65.20 N ANISOU 1277 NZ LYS A 380 8507 9294 6972 -374 270 -63 N ATOM 0 H LYS A 380 31.720 63.046 23.410 1.00 18.84 H new ATOM 0 HA LYS A 380 32.747 65.206 22.375 1.00 18.04 H new ATOM 0 HB2 LYS A 380 31.286 63.106 21.163 1.00 19.20 H new ATOM 0 HB3 LYS A 380 31.813 64.294 20.302 1.00 19.20 H new ATOM 0 HG2 LYS A 380 34.031 63.696 20.811 1.00 20.70 H new ATOM 0 HG3 LYS A 380 33.519 62.528 21.708 1.00 20.70 H new ATOM 0 HD2 LYS A 380 32.760 61.342 19.910 1.00 25.82 H new ATOM 0 HD3 LYS A 380 32.828 62.585 18.971 1.00 25.82 H new ATOM 0 HE2 LYS A 380 35.192 62.516 19.051 1.00 49.40 H new ATOM 0 HE3 LYS A 380 35.125 61.275 19.992 1.00 49.40 H new ATOM 0 HZ1 LYS A 380 35.453 60.604 17.840 1.00 65.20 H new ATOM 0 HZ2 LYS A 380 34.165 60.093 18.277 1.00 65.20 H new ATOM 0 HZ3 LYS A 380 34.228 61.250 17.400 1.00 65.20 H new ATOM 1291 N ASN A 381 29.625 65.302 22.788 1.00 21.88 N ANISOU 1291 N ASN A 381 2557 3723 2034 757 -322 702 N ATOM 1292 CA ASN A 381 28.417 66.118 22.683 1.00 25.39 C ANISOU 1292 CA ASN A 381 2966 4287 2393 977 -387 736 C ATOM 1293 C ASN A 381 28.119 66.877 23.974 1.00 25.92 C ANISOU 1293 C ASN A 381 3036 4273 2537 1044 -339 760 C ATOM 1294 O ASN A 381 27.027 67.417 24.146 1.00 29.25 O ANISOU 1294 O ASN A 381 3388 4814 2911 1222 -391 765 O ATOM 1295 CB ASN A 381 27.219 65.241 22.317 1.00 28.27 C ANISOU 1295 CB ASN A 381 3100 4919 2722 987 -506 635 C ATOM 1296 CG ASN A 381 27.307 64.689 20.908 1.00 39.91 C ANISOU 1296 CG ASN A 381 4580 6504 4081 983 -580 600 C ATOM 1297 OD1 ASN A 381 26.793 65.287 19.962 1.00 49.97 O ANISOU 1297 OD1 ASN A 381 5898 7889 5200 1179 -651 640 O ATOM 1298 ND2 ASN A 381 27.959 63.541 20.761 1.00 42.59 N ANISOU 1298 ND2 ASN A 381 4882 6816 4483 777 -567 523 N ATOM 0 H ASN A 381 29.534 64.593 23.267 1.00 21.88 H new ATOM 0 HA ASN A 381 28.574 66.772 21.984 1.00 25.39 H new ATOM 0 HB2 ASN A 381 27.158 64.505 22.946 1.00 28.27 H new ATOM 0 HB3 ASN A 381 26.404 65.759 22.407 1.00 28.27 H new ATOM 0 HD21 ASN A 381 28.035 63.187 19.981 1.00 42.59 H new ATOM 0 HD22 ASN A 381 28.305 63.152 21.446 1.00 42.59 H new ATOM 1305 N ALA A 382 29.095 66.927 24.874 1.00 29.04 N ANISOU 1305 N ALA A 382 3509 4481 3044 915 -245 763 N ATOM 1306 CA ALA A 382 28.886 67.495 26.202 1.00 24.66 C ANISOU 1306 CA ALA A 382 2949 3857 2564 960 -202 761 C ATOM 1307 C ALA A 382 28.680 69.009 26.172 1.00 28.49 C ANISOU 1307 C ALA A 382 3601 4234 2991 1172 -184 840 C ATOM 1308 O ALA A 382 28.198 69.593 27.143 1.00 34.21 O ANISOU 1308 O ALA A 382 4312 4941 3746 1271 -170 829 O ATOM 1309 CB ALA A 382 30.060 67.151 27.102 1.00 20.77 C ANISOU 1309 CB ALA A 382 2502 3202 2188 778 -120 731 C ATOM 0 H ALA A 382 29.892 66.635 24.734 1.00 29.04 H new ATOM 0 HA ALA A 382 28.071 67.104 26.554 1.00 24.66 H new ATOM 0 HB1 ALA A 382 29.915 67.531 27.983 1.00 20.77 H new ATOM 0 HB2 ALA A 382 30.140 66.187 27.176 1.00 20.77 H new ATOM 0 HB3 ALA A 382 30.876 67.515 26.723 1.00 20.77 H new ATOM 1315 N GLY A 383 29.048 69.642 25.064 1.00 26.64 N ANISOU 1315 N GLY A 383 3537 3918 2667 1248 -178 923 N ATOM 1316 CA GLY A 383 28.949 71.085 24.950 1.00 28.48 C ANISOU 1316 CA GLY A 383 3972 4003 2845 1445 -147 1015 C ATOM 1317 C GLY A 383 30.280 71.775 25.178 1.00 30.17 C ANISOU 1317 C GLY A 383 4399 3927 3136 1332 -31 1058 C ATOM 1318 O GLY A 383 31.303 71.120 25.375 1.00 25.67 O ANISOU 1318 O GLY A 383 3805 3298 2651 1112 20 1013 O ATOM 0 H GLY A 383 29.359 69.249 24.365 1.00 26.64 H new ATOM 0 HA2 GLY A 383 28.615 71.315 24.069 1.00 28.48 H new ATOM 0 HA3 GLY A 383 28.302 71.414 25.594 1.00 28.48 H new ATOM 1322 N GLN A 384 30.263 73.094 25.201 1.00 26.28 N ANISOU 1322 N GLN A 384 4112 3253 2621 1482 13 1134 N ATOM 1323 CA GLN A 384 31.489 73.860 25.287 1.00 35.13 C ANISOU 1323 CA GLN A 384 5445 4086 3816 1367 130 1175 C ATOM 1324 C GLN A 384 32.100 73.797 26.659 1.00 38.55 C ANISOU 1324 C GLN A 384 5829 4417 4401 1219 171 1068 C ATOM 1325 O GLN A 384 33.286 73.831 26.790 1.00 28.06 O ANISOU 1325 O GLN A 384 4566 2937 3158 1032 250 1047 O ATOM 1326 CB GLN A 384 31.291 75.332 24.870 1.00 31.02 C ANISOU 1326 CB GLN A 384 5146 3385 3255 1512 171 1244 C ATOM 1327 CG GLN A 384 30.651 75.487 23.514 1.00 39.65 C ANISOU 1327 CG GLN A 384 6263 4598 4203 1640 126 1306 C ATOM 1328 CD GLN A 384 30.078 76.876 23.264 1.00 44.13 C ANISOU 1328 CD GLN A 384 6997 5049 4723 1823 141 1348 C ATOM 1329 OE1 GLN A 384 30.717 77.718 22.679 1.00 52.23 O ANISOU 1329 OE1 GLN A 384 8223 5877 5744 1789 228 1422 O ATOM 1330 NE2 GLN A 384 28.877 77.093 23.711 1.00 39.01 N ANISOU 1330 NE2 GLN A 384 6257 4529 4037 2012 61 1298 N ATOM 0 H GLN A 384 29.546 73.568 25.168 1.00 26.28 H new ATOM 0 HA GLN A 384 32.102 73.447 24.659 1.00 35.13 H new ATOM 0 HB2 GLN A 384 30.741 75.778 25.533 1.00 31.02 H new ATOM 0 HB3 GLN A 384 32.152 75.779 24.867 1.00 31.02 H new ATOM 0 HG2 GLN A 384 31.309 75.289 22.830 1.00 39.65 H new ATOM 0 HG3 GLN A 384 29.942 74.832 23.423 1.00 39.65 H new ATOM 0 HE21 GLN A 384 28.452 76.469 24.123 1.00 39.01 H new ATOM 0 HE22 GLN A 384 28.507 77.861 23.595 1.00 39.01 H new ATOM 1339 N THR A 385 31.281 73.726 27.683 1.00 24.89 N ANISOU 1339 N THR A 385 3978 2785 2693 1313 118 996 N ATOM 1340 CA THR A 385 31.750 73.609 29.040 1.00 23.82 C ANISOU 1340 CA THR A 385 3787 2590 2674 1203 145 890 C ATOM 1341 C THR A 385 31.463 72.201 29.552 1.00 26.92 C ANISOU 1341 C THR A 385 3932 3212 3086 1101 96 814 C ATOM 1342 O THR A 385 30.346 71.789 29.652 1.00 29.90 O ANISOU 1342 O THR A 385 4163 3786 3411 1207 36 805 O ATOM 1343 CB THR A 385 31.035 74.589 29.964 1.00 34.09 C ANISOU 1343 CB THR A 385 5147 3828 3977 1395 136 860 C ATOM 1344 OG1 THR A 385 31.275 75.922 29.538 1.00 32.72 O ANISOU 1344 OG1 THR A 385 5231 3407 3794 1496 187 931 O ATOM 1345 CG2 THR A 385 31.521 74.433 31.342 1.00 33.50 C ANISOU 1345 CG2 THR A 385 5015 3713 3998 1292 157 744 C ATOM 0 H THR A 385 30.424 73.745 27.609 1.00 24.89 H new ATOM 0 HA THR A 385 32.701 73.802 29.040 1.00 23.82 H new ATOM 0 HB THR A 385 30.084 74.402 29.933 1.00 34.09 H new ATOM 0 HG1 THR A 385 32.027 76.174 29.815 1.00 32.72 H new ATOM 0 HG21 THR A 385 31.060 75.060 31.921 1.00 33.50 H new ATOM 0 HG22 THR A 385 31.349 73.528 31.645 1.00 33.50 H new ATOM 0 HG23 THR A 385 32.475 74.608 31.371 1.00 33.50 H new ATOM 1353 N VAL A 386 32.505 71.465 29.851 1.00 20.78 N ANISOU 1353 N VAL A 386 3110 2402 2385 891 128 759 N ATOM 1354 CA VAL A 386 32.397 70.056 30.205 1.00 19.39 C ANISOU 1354 CA VAL A 386 2736 2402 2228 778 95 704 C ATOM 1355 C VAL A 386 32.780 69.854 31.666 1.00 24.88 C ANISOU 1355 C VAL A 386 3383 3072 2999 717 115 617 C ATOM 1356 O VAL A 386 33.914 70.125 32.063 1.00 23.32 O ANISOU 1356 O VAL A 386 3265 2729 2866 615 156 572 O ATOM 1357 CB VAL A 386 33.274 69.191 29.282 1.00 18.82 C ANISOU 1357 CB VAL A 386 2650 2338 2162 612 105 712 C ATOM 1358 CG1 VAL A 386 33.030 67.714 29.539 1.00 27.25 C ANISOU 1358 CG1 VAL A 386 3535 3571 3246 514 67 660 C ATOM 1359 CG2 VAL A 386 33.002 69.534 27.823 1.00 26.40 C ANISOU 1359 CG2 VAL A 386 3691 3314 3027 688 93 800 C ATOM 0 H VAL A 386 33.311 71.765 29.857 1.00 20.78 H new ATOM 0 HA VAL A 386 31.476 69.776 30.086 1.00 19.39 H new ATOM 0 HB VAL A 386 34.205 69.381 29.476 1.00 18.82 H new ATOM 0 HG11 VAL A 386 33.590 67.186 28.949 1.00 27.25 H new ATOM 0 HG12 VAL A 386 33.246 67.506 30.462 1.00 27.25 H new ATOM 0 HG13 VAL A 386 32.098 67.506 29.371 1.00 27.25 H new ATOM 0 HG21 VAL A 386 33.560 68.983 27.252 1.00 26.40 H new ATOM 0 HG22 VAL A 386 32.068 69.368 27.620 1.00 26.40 H new ATOM 0 HG23 VAL A 386 33.205 70.470 27.667 1.00 26.40 H new ATOM 1369 N THR A 387 31.825 69.374 32.459 1.00 20.11 N ANISOU 1369 N THR A 387 2640 2623 2377 782 88 591 N ATOM 1370 CA THR A 387 32.052 69.122 33.880 1.00 19.70 C ANISOU 1370 CA THR A 387 2542 2579 2365 752 109 520 C ATOM 1371 C THR A 387 32.257 67.633 34.129 1.00 21.15 C ANISOU 1371 C THR A 387 2592 2873 2570 608 106 502 C ATOM 1372 O THR A 387 31.315 66.840 34.056 1.00 18.88 O ANISOU 1372 O THR A 387 2169 2747 2258 611 90 522 O ATOM 1373 CB THR A 387 30.875 69.624 34.740 1.00 22.53 C ANISOU 1373 CB THR A 387 2848 3031 2679 931 104 507 C ATOM 1374 OG1 THR A 387 30.674 71.021 34.506 1.00 21.74 O ANISOU 1374 OG1 THR A 387 2894 2808 2559 1087 104 522 O ATOM 1375 CG2 THR A 387 31.148 69.402 36.220 1.00 22.47 C ANISOU 1375 CG2 THR A 387 2809 3036 2690 914 131 437 C ATOM 0 H THR A 387 31.030 69.186 32.190 1.00 20.11 H new ATOM 0 HA THR A 387 32.850 69.610 34.136 1.00 19.70 H new ATOM 0 HB THR A 387 30.081 69.125 34.491 1.00 22.53 H new ATOM 0 HG1 THR A 387 30.182 71.125 33.833 1.00 21.74 H new ATOM 0 HG21 THR A 387 30.396 69.725 36.740 1.00 22.47 H new ATOM 0 HG22 THR A 387 31.274 68.455 36.388 1.00 22.47 H new ATOM 0 HG23 THR A 387 31.949 69.885 36.477 1.00 22.47 H new ATOM 1383 N ILE A 388 33.495 67.263 34.433 1.00 15.94 N ANISOU 1383 N ILE A 388 1972 2123 1961 483 124 458 N ATOM 1384 CA ILE A 388 33.848 65.871 34.661 1.00 14.99 C ANISOU 1384 CA ILE A 388 1762 2073 1860 361 124 444 C ATOM 1385 C ILE A 388 34.021 65.605 36.149 1.00 19.48 C ANISOU 1385 C ILE A 388 2308 2664 2431 377 142 398 C ATOM 1386 O ILE A 388 34.659 66.381 36.861 1.00 20.88 O ANISOU 1386 O ILE A 388 2560 2754 2619 414 147 339 O ATOM 1387 CB ILE A 388 35.129 65.498 33.887 1.00 16.32 C ANISOU 1387 CB ILE A 388 1979 2154 2066 231 126 427 C ATOM 1388 CG1 ILE A 388 34.848 65.497 32.384 1.00 18.92 C ANISOU 1388 CG1 ILE A 388 2320 2502 2368 218 111 481 C ATOM 1389 CG2 ILE A 388 35.664 64.134 34.322 1.00 19.32 C ANISOU 1389 CG2 ILE A 388 2294 2577 2468 133 124 399 C ATOM 1390 CD1 ILE A 388 36.095 65.512 31.525 1.00 24.27 C ANISOU 1390 CD1 ILE A 388 3067 3085 3067 118 133 472 C ATOM 0 H ILE A 388 34.152 67.812 34.513 1.00 15.94 H new ATOM 0 HA ILE A 388 33.125 65.314 34.332 1.00 14.99 H new ATOM 0 HB ILE A 388 35.807 66.162 34.088 1.00 16.32 H new ATOM 0 HG12 ILE A 388 34.323 64.712 32.163 1.00 18.92 H new ATOM 0 HG13 ILE A 388 34.306 66.271 32.165 1.00 18.92 H new ATOM 0 HG21 ILE A 388 36.468 63.926 33.820 1.00 19.32 H new ATOM 0 HG22 ILE A 388 35.871 64.155 35.269 1.00 19.32 H new ATOM 0 HG23 ILE A 388 34.993 63.454 34.153 1.00 19.32 H new ATOM 0 HD11 ILE A 388 35.843 65.511 30.588 1.00 24.27 H new ATOM 0 HD12 ILE A 388 36.612 66.309 31.719 1.00 24.27 H new ATOM 0 HD13 ILE A 388 36.630 64.726 31.717 1.00 24.27 H new ATOM 1402 N ILE A 389 33.432 64.509 36.613 1.00 16.02 N ANISOU 1402 N ILE A 389 1769 2341 1977 350 154 422 N ATOM 1403 CA ILE A 389 33.769 63.956 37.914 1.00 14.90 C ANISOU 1403 CA ILE A 389 1619 2222 1822 349 177 397 C ATOM 1404 C ILE A 389 34.672 62.764 37.655 1.00 14.59 C ANISOU 1404 C ILE A 389 1580 2150 1813 226 171 395 C ATOM 1405 O ILE A 389 34.255 61.789 37.031 1.00 17.91 O ANISOU 1405 O ILE A 389 1944 2613 2249 148 174 436 O ATOM 1406 CB ILE A 389 32.526 63.546 38.720 1.00 15.21 C ANISOU 1406 CB ILE A 389 1563 2400 1815 406 219 440 C ATOM 1407 CG1 ILE A 389 31.543 64.715 38.838 1.00 23.71 C ANISOU 1407 CG1 ILE A 389 2624 3529 2856 552 222 438 C ATOM 1408 CG2 ILE A 389 32.935 63.044 40.101 1.00 15.27 C ANISOU 1408 CG2 ILE A 389 1592 2426 1784 427 253 428 C ATOM 1409 CD1 ILE A 389 32.112 65.949 39.515 1.00 25.70 C ANISOU 1409 CD1 ILE A 389 2989 3685 3092 659 211 368 C ATOM 0 H ILE A 389 32.830 64.069 36.185 1.00 16.02 H new ATOM 0 HA ILE A 389 34.214 64.627 38.455 1.00 14.90 H new ATOM 0 HB ILE A 389 32.079 62.826 38.249 1.00 15.21 H new ATOM 0 HG12 ILE A 389 31.239 64.958 37.950 1.00 23.71 H new ATOM 0 HG13 ILE A 389 30.763 64.419 39.333 1.00 23.71 H new ATOM 0 HG21 ILE A 389 32.144 62.788 40.600 1.00 15.27 H new ATOM 0 HG22 ILE A 389 33.519 62.275 40.006 1.00 15.27 H new ATOM 0 HG23 ILE A 389 33.403 63.748 40.576 1.00 15.27 H new ATOM 0 HD11 ILE A 389 31.433 66.641 39.551 1.00 25.70 H new ATOM 0 HD12 ILE A 389 32.392 65.724 40.416 1.00 25.70 H new ATOM 0 HD13 ILE A 389 32.875 66.272 39.011 1.00 25.70 H new ATOM 1421 N ALA A 390 35.912 62.851 38.124 1.00 14.82 N ANISOU 1421 N ALA A 390 1670 2107 1853 214 157 333 N ATOM 1422 CA ALA A 390 36.885 61.791 37.895 1.00 14.83 C ANISOU 1422 CA ALA A 390 1676 2079 1878 128 145 319 C ATOM 1423 C ALA A 390 37.430 61.259 39.212 1.00 13.02 C ANISOU 1423 C ALA A 390 1466 1872 1611 176 146 292 C ATOM 1424 O ALA A 390 37.446 61.963 40.224 1.00 16.86 O ANISOU 1424 O ALA A 390 1974 2377 2056 266 144 251 O ATOM 1425 CB ALA A 390 38.020 62.297 37.018 1.00 17.08 C ANISOU 1425 CB ALA A 390 2001 2280 2210 69 122 262 C ATOM 0 H ALA A 390 36.210 63.518 38.578 1.00 14.82 H new ATOM 0 HA ALA A 390 36.437 61.062 37.437 1.00 14.83 H new ATOM 0 HB1 ALA A 390 38.660 61.583 36.873 1.00 17.08 H new ATOM 0 HB2 ALA A 390 37.664 62.590 36.164 1.00 17.08 H new ATOM 0 HB3 ALA A 390 38.461 63.042 37.456 1.00 17.08 H new ATOM 1431 N GLN A 391 37.898 60.026 39.182 1.00 14.47 N ANISOU 1431 N GLN A 391 1650 2050 1797 129 145 310 N ATOM 1432 CA GLN A 391 38.501 59.388 40.329 1.00 13.13 C ANISOU 1432 CA GLN A 391 1514 1898 1575 192 141 297 C ATOM 1433 C GLN A 391 39.657 58.500 39.912 1.00 13.24 C ANISOU 1433 C GLN A 391 1548 1869 1614 154 109 264 C ATOM 1434 O GLN A 391 39.522 57.703 39.048 1.00 13.71 O ANISOU 1434 O GLN A 391 1601 1896 1711 78 119 300 O ATOM 1435 CB GLN A 391 37.469 58.594 41.097 1.00 16.37 C ANISOU 1435 CB GLN A 391 1924 2362 1936 219 201 396 C ATOM 1436 CG GLN A 391 37.961 58.013 42.398 1.00 16.05 C ANISOU 1436 CG GLN A 391 1942 2346 1811 316 208 406 C ATOM 1437 CD GLN A 391 36.860 57.421 43.206 1.00 25.87 C ANISOU 1437 CD GLN A 391 3191 3644 2996 340 294 517 C ATOM 1438 OE1 GLN A 391 35.854 56.994 42.695 1.00 22.69 O ANISOU 1438 OE1 GLN A 391 2740 3245 2636 248 349 589 O ATOM 1439 NE2 GLN A 391 37.055 57.401 44.480 1.00 25.98 N ANISOU 1439 NE2 GLN A 391 3257 3710 2906 461 308 525 N ATOM 0 H GLN A 391 37.873 59.528 38.481 1.00 14.47 H new ATOM 0 HA GLN A 391 38.851 60.081 40.910 1.00 13.13 H new ATOM 0 HB2 GLN A 391 36.708 59.167 41.280 1.00 16.37 H new ATOM 0 HB3 GLN A 391 37.150 57.871 40.534 1.00 16.37 H new ATOM 0 HG2 GLN A 391 38.627 57.332 42.214 1.00 16.05 H new ATOM 0 HG3 GLN A 391 38.401 58.707 42.914 1.00 16.05 H new ATOM 0 HE21 GLN A 391 37.785 57.715 44.808 1.00 25.98 H new ATOM 0 HE22 GLN A 391 36.455 57.074 45.002 1.00 25.98 H new ATOM 1448 N TYR A 392 40.781 58.682 40.569 1.00 13.45 N ANISOU 1448 N TYR A 392 1590 1906 1613 220 65 179 N ATOM 1449 CA TYR A 392 42.010 57.996 40.189 1.00 13.01 C ANISOU 1449 CA TYR A 392 1533 1831 1577 208 26 123 C ATOM 1450 C TYR A 392 41.969 56.529 40.609 1.00 22.20 C ANISOU 1450 C TYR A 392 2753 2985 2698 254 40 196 C ATOM 1451 O TYR A 392 41.895 56.211 41.798 1.00 15.71 O ANISOU 1451 O TYR A 392 1977 2198 1793 360 44 227 O ATOM 1452 CB TYR A 392 43.213 58.705 40.813 1.00 14.74 C ANISOU 1452 CB TYR A 392 1728 2091 1781 268 -33 -9 C ATOM 1453 CG TYR A 392 44.564 58.206 40.349 1.00 14.31 C ANISOU 1453 CG TYR A 392 1637 2046 1754 258 -75 -94 C ATOM 1454 CD1 TYR A 392 44.888 58.161 38.998 1.00 13.44 C ANISOU 1454 CD1 TYR A 392 1494 1896 1717 149 -56 -104 C ATOM 1455 CD2 TYR A 392 45.527 57.806 41.267 1.00 15.74 C ANISOU 1455 CD2 TYR A 392 1811 2296 1874 374 -135 -169 C ATOM 1456 CE1 TYR A 392 46.131 57.715 38.575 1.00 20.16 C ANISOU 1456 CE1 TYR A 392 2297 2776 2588 149 -86 -188 C ATOM 1457 CE2 TYR A 392 46.768 57.361 40.854 1.00 18.88 C ANISOU 1457 CE2 TYR A 392 2155 2726 2293 383 -177 -258 C ATOM 1458 CZ TYR A 392 47.066 57.318 39.508 1.00 20.40 C ANISOU 1458 CZ TYR A 392 2306 2879 2567 266 -147 -268 C ATOM 1459 OH TYR A 392 48.304 56.874 39.098 1.00 18.54 O ANISOU 1459 OH TYR A 392 2003 2694 2348 283 -179 -362 O ATOM 0 H TYR A 392 40.861 59.204 41.248 1.00 13.45 H new ATOM 0 HA TYR A 392 42.095 58.024 39.223 1.00 13.01 H new ATOM 0 HB2 TYR A 392 43.149 59.653 40.617 1.00 14.74 H new ATOM 0 HB3 TYR A 392 43.162 58.610 41.777 1.00 14.74 H new ATOM 0 HD1 TYR A 392 44.261 58.434 38.368 1.00 13.44 H new ATOM 0 HD2 TYR A 392 45.333 57.838 42.176 1.00 15.74 H new ATOM 0 HE1 TYR A 392 46.333 57.684 37.668 1.00 20.16 H new ATOM 0 HE2 TYR A 392 47.400 57.092 41.481 1.00 18.88 H new ATOM 0 HH TYR A 392 48.559 56.250 39.600 1.00 18.54 H new ATOM 1469 N LYS A 393 42.020 55.655 39.622 1.00 14.94 N ANISOU 1469 N LYS A 393 1841 2009 1827 180 50 222 N ATOM 1470 CA LYS A 393 41.911 54.222 39.804 1.00 13.68 C ANISOU 1470 CA LYS A 393 1754 1796 1647 201 72 294 C ATOM 1471 C LYS A 393 43.029 53.461 39.072 1.00 17.06 C ANISOU 1471 C LYS A 393 2194 2185 2102 208 32 230 C ATOM 1472 O LYS A 393 42.777 52.757 38.146 1.00 19.52 O ANISOU 1472 O LYS A 393 2522 2432 2462 130 49 250 O ATOM 1473 CB LYS A 393 40.544 53.721 39.322 1.00 15.45 C ANISOU 1473 CB LYS A 393 1984 1975 1911 91 136 392 C ATOM 1474 CG LYS A 393 39.373 54.281 40.068 1.00 19.54 C ANISOU 1474 CG LYS A 393 2478 2547 2398 95 188 461 C ATOM 1475 CD LYS A 393 39.123 53.504 41.314 1.00 31.03 C ANISOU 1475 CD LYS A 393 4014 3997 3780 172 240 550 C ATOM 1476 CE LYS A 393 37.796 53.844 41.937 1.00 48.61 C ANISOU 1476 CE LYS A 393 6206 6285 5978 154 317 632 C ATOM 1477 NZ LYS A 393 37.304 52.727 42.736 1.00 75.42 N ANISOU 1477 NZ LYS A 393 9684 9642 9332 159 405 752 N ATOM 0 H LYS A 393 42.122 55.887 38.800 1.00 14.94 H new ATOM 0 HA LYS A 393 42.003 54.048 40.754 1.00 13.68 H new ATOM 0 HB2 LYS A 393 40.447 53.939 38.382 1.00 15.45 H new ATOM 0 HB3 LYS A 393 40.524 52.754 39.393 1.00 15.45 H new ATOM 0 HG2 LYS A 393 39.539 55.211 40.289 1.00 19.54 H new ATOM 0 HG3 LYS A 393 38.584 54.260 39.504 1.00 19.54 H new ATOM 0 HD2 LYS A 393 39.151 52.555 41.113 1.00 31.03 H new ATOM 0 HD3 LYS A 393 39.833 53.680 41.951 1.00 31.03 H new ATOM 0 HE2 LYS A 393 37.887 54.632 42.495 1.00 48.61 H new ATOM 0 HE3 LYS A 393 37.153 54.060 41.244 1.00 48.61 H new ATOM 0 HZ1 LYS A 393 36.617 52.997 43.233 1.00 75.42 H new ATOM 0 HZ2 LYS A 393 37.040 52.070 42.197 1.00 75.42 H new ATOM 0 HZ3 LYS A 393 37.955 52.432 43.266 1.00 75.42 H new ATOM 1491 N PRO A 394 44.258 53.637 39.512 1.00 16.96 N ANISOU 1491 N PRO A 394 2162 2225 2055 310 -25 140 N ATOM 1492 CA PRO A 394 45.393 53.102 38.753 1.00 14.14 C ANISOU 1492 CA PRO A 394 1785 1864 1724 325 -63 57 C ATOM 1493 C PRO A 394 45.420 51.577 38.670 1.00 15.99 C ANISOU 1493 C PRO A 394 2124 2008 1945 378 -53 113 C ATOM 1494 O PRO A 394 45.877 51.035 37.663 1.00 21.10 O ANISOU 1494 O PRO A 394 2765 2619 2633 346 -61 67 O ATOM 1495 CB PRO A 394 46.606 53.628 39.527 1.00 15.42 C ANISOU 1495 CB PRO A 394 1887 2131 1842 440 -129 -57 C ATOM 1496 CG PRO A 394 46.112 53.846 40.907 1.00 15.51 C ANISOU 1496 CG PRO A 394 1948 2175 1771 535 -133 -6 C ATOM 1497 CD PRO A 394 44.685 54.282 40.765 1.00 18.20 C ANISOU 1497 CD PRO A 394 2307 2467 2139 427 -63 94 C ATOM 0 HA PRO A 394 45.359 53.380 37.824 1.00 14.14 H new ATOM 0 HB2 PRO A 394 47.337 52.990 39.512 1.00 15.42 H new ATOM 0 HB3 PRO A 394 46.941 54.452 39.139 1.00 15.42 H new ATOM 0 HG2 PRO A 394 46.177 53.033 41.432 1.00 15.51 H new ATOM 0 HG3 PRO A 394 46.639 54.521 41.363 1.00 15.51 H new ATOM 0 HD2 PRO A 394 44.146 53.994 41.518 1.00 18.20 H new ATOM 0 HD3 PRO A 394 44.609 55.248 40.715 1.00 18.20 H new ATOM 1505 N GLU A 395 44.940 50.895 39.706 1.00 15.62 N ANISOU 1505 N GLU A 395 2182 1916 1837 459 -29 212 N ATOM 1506 CA GLU A 395 44.942 49.436 39.705 1.00 20.41 C ANISOU 1506 CA GLU A 395 2920 2400 2434 509 -8 278 C ATOM 1507 C GLU A 395 44.009 48.897 38.627 1.00 20.84 C ANISOU 1507 C GLU A 395 2997 2344 2579 340 45 321 C ATOM 1508 O GLU A 395 44.376 48.001 37.868 1.00 20.95 O ANISOU 1508 O GLU A 395 3062 2271 2627 335 35 288 O ATOM 1509 CB GLU A 395 44.531 48.883 41.072 1.00 24.68 C ANISOU 1509 CB GLU A 395 3587 2906 2884 621 29 400 C ATOM 1510 CG GLU A 395 45.556 49.114 42.172 1.00 25.62 C ANISOU 1510 CG GLU A 395 3712 3136 2888 832 -42 351 C ATOM 1511 CD GLU A 395 45.517 50.523 42.727 1.00 29.99 C ANISOU 1511 CD GLU A 395 4148 3835 3410 830 -71 287 C ATOM 1512 OE1 GLU A 395 44.517 51.233 42.485 1.00 23.88 O ANISOU 1512 OE1 GLU A 395 3325 3061 2687 690 -18 322 O ATOM 1513 OE2 GLU A 395 46.488 50.922 43.405 1.00 29.74 O ANISOU 1513 OE2 GLU A 395 4074 3921 3305 974 -151 191 O ATOM 0 H GLU A 395 44.611 51.255 40.414 1.00 15.62 H new ATOM 0 HA GLU A 395 45.847 49.143 39.514 1.00 20.41 H new ATOM 0 HB2 GLU A 395 43.691 49.291 41.335 1.00 24.68 H new ATOM 0 HB3 GLU A 395 44.370 47.930 40.989 1.00 24.68 H new ATOM 0 HG2 GLU A 395 45.399 48.483 42.892 1.00 25.62 H new ATOM 0 HG3 GLU A 395 46.443 48.933 41.824 1.00 25.62 H new ATOM 1520 N AGLU A 396 42.817 49.419 38.536 0.48 19.21 N ANISOU 1520 N AGLU A 396 2746 2146 2405 210 95 378 N ATOM 1521 N BGLU A 396 42.822 49.433 38.531 0.52 18.87 N ANISOU 1521 N BGLU A 396 2702 2105 2362 210 95 377 N ATOM 1522 CA AGLU A 396 41.882 49.003 37.529 0.48 21.23 C ANISOU 1522 CA AGLU A 396 2995 2330 2740 48 132 398 C ATOM 1523 CA BGLU A 396 41.867 49.008 37.548 0.52 21.04 C ANISOU 1523 CA BGLU A 396 2971 2306 2716 48 133 400 C ATOM 1524 C AGLU A 396 42.387 49.335 36.148 0.48 20.90 C ANISOU 1524 C AGLU A 396 2876 2321 2743 -8 85 288 C ATOM 1525 C BGLU A 396 42.317 49.369 36.145 0.52 20.09 C ANISOU 1525 C BGLU A 396 2771 2220 2642 -15 87 291 C ATOM 1526 O AGLU A 396 42.197 48.609 35.233 0.48 22.53 O ANISOU 1526 O AGLU A 396 3110 2455 2995 -81 86 263 O ATOM 1527 O BGLU A 396 42.215 48.599 35.250 0.52 22.46 O ANISOU 1527 O BGLU A 396 3103 2446 2986 -78 86 263 O ATOM 1528 CB AGLU A 396 40.539 49.664 37.752 0.48 24.11 C ANISOU 1528 CB AGLU A 396 3295 2745 3121 -55 184 466 C ATOM 1529 CB BGLU A 396 40.495 49.593 37.878 0.52 21.85 C ANISOU 1529 CB BGLU A 396 3018 2453 2830 -50 190 477 C ATOM 1530 CG AGLU A 396 39.708 49.016 38.815 0.48 30.62 C ANISOU 1530 CG AGLU A 396 4198 3515 3921 -57 265 591 C ATOM 1531 CG BGLU A 396 40.031 49.171 39.257 0.52 32.21 C ANISOU 1531 CG BGLU A 396 4415 3740 4085 10 256 594 C ATOM 1532 CD AGLU A 396 39.777 49.725 40.105 0.48 47.80 C ANISOU 1532 CD AGLU A 396 6374 5784 6005 63 277 634 C ATOM 1533 CD BGLU A 396 38.680 49.647 39.664 0.52 49.82 C ANISOU 1533 CD BGLU A 396 6582 6028 6319 -75 327 671 C ATOM 1534 OE1AGLU A 396 40.824 50.330 40.378 0.48 26.10 O ANISOU 1534 OE1AGLU A 396 3608 3104 3206 184 209 559 O ATOM 1535 OE1BGLU A 396 37.785 49.842 38.814 0.52 41.90 O ANISOU 1535 OE1BGLU A 396 5489 5045 5387 -215 339 656 O ATOM 1536 OE2AGLU A 396 38.755 49.708 40.815 0.48 61.80 O ANISOU 1536 OE2AGLU A 396 8151 7573 7758 28 357 732 O ATOM 1537 OE2BGLU A 396 38.502 49.788 40.874 0.52 59.86 O ANISOU 1537 OE2BGLU A 396 7892 7339 7513 12 372 745 O ATOM 0 H AGLU A 396 42.521 50.032 39.062 0.48 18.87 H new ATOM 0 H BGLU A 396 42.542 50.065 39.043 0.52 18.87 H new ATOM 0 HA AGLU A 396 41.782 48.041 37.597 0.48 21.04 H new ATOM 0 HA BGLU A 396 41.799 48.041 37.573 0.52 21.04 H new ATOM 0 HB2AGLU A 396 40.682 50.594 37.989 0.48 21.85 H new ATOM 0 HB2BGLU A 396 40.534 50.561 37.830 0.52 21.85 H new ATOM 0 HB3AGLU A 396 40.043 49.657 36.918 0.48 21.85 H new ATOM 0 HB3BGLU A 396 39.850 49.302 37.215 0.52 21.85 H new ATOM 0 HG2AGLU A 396 38.785 48.979 38.520 0.48 32.21 H new ATOM 0 HG2BGLU A 396 40.040 48.202 39.299 0.52 32.21 H new ATOM 0 HG3AGLU A 396 40.004 48.100 38.938 0.48 32.21 H new ATOM 0 HG3BGLU A 396 40.676 49.489 39.908 0.52 32.21 H new ATOM 1550 N TYR A 397 42.926 50.514 36.021 1.00 16.20 N ANISOU 1550 N TYR A 397 2186 1836 2132 15 53 226 N ATOM 1551 CA TYR A 397 43.419 50.940 34.719 1.00 14.94 C ANISOU 1551 CA TYR A 397 1957 1717 2002 -41 28 138 C ATOM 1552 C TYR A 397 44.555 50.053 34.222 1.00 14.90 C ANISOU 1552 C TYR A 397 1987 1680 1993 29 -1 60 C ATOM 1553 O TYR A 397 44.641 49.752 33.030 1.00 17.67 O ANISOU 1553 O TYR A 397 2328 2018 2367 -27 -4 8 O ATOM 1554 CB TYR A 397 43.910 52.386 34.745 1.00 22.13 C ANISOU 1554 CB TYR A 397 2774 2732 2903 -35 15 90 C ATOM 1555 CG TYR A 397 44.641 52.724 33.468 1.00 18.45 C ANISOU 1555 CG TYR A 397 2252 2304 2455 -79 9 8 C ATOM 1556 CD1 TYR A 397 43.940 53.045 32.314 1.00 22.66 C ANISOU 1556 CD1 TYR A 397 2766 2840 3005 -180 27 23 C ATOM 1557 CD2 TYR A 397 46.029 52.676 33.402 1.00 16.96 C ANISOU 1557 CD2 TYR A 397 2024 2162 2256 -12 -12 -84 C ATOM 1558 CE1 TYR A 397 44.598 53.330 31.136 1.00 15.59 C ANISOU 1558 CE1 TYR A 397 1833 1984 2105 -211 34 -38 C ATOM 1559 CE2 TYR A 397 46.695 52.957 32.227 1.00 16.15 C ANISOU 1559 CE2 TYR A 397 1866 2106 2164 -58 2 -152 C ATOM 1560 CZ TYR A 397 45.972 53.282 31.097 1.00 16.85 C ANISOU 1560 CZ TYR A 397 1956 2186 2259 -158 30 -122 C ATOM 1561 OH TYR A 397 46.630 53.564 29.927 1.00 22.00 O ANISOU 1561 OH TYR A 397 2566 2891 2903 -195 57 -177 O ATOM 0 H ATYR A 397 43.021 51.085 36.657 0.48 16.20 H new ATOM 0 H BTYR A 397 43.070 51.065 36.665 0.52 16.20 H new ATOM 0 HA TYR A 397 42.665 50.865 34.113 1.00 14.94 H new ATOM 0 HB2 TYR A 397 43.157 52.986 34.861 1.00 22.13 H new ATOM 0 HB3 TYR A 397 44.498 52.519 35.505 1.00 22.13 H new ATOM 0 HD1 TYR A 397 43.011 53.068 32.335 1.00 22.66 H new ATOM 0 HD2 TYR A 397 46.516 52.451 34.162 1.00 16.96 H new ATOM 0 HE1 TYR A 397 44.116 53.553 30.373 1.00 15.59 H new ATOM 0 HE2 TYR A 397 47.624 52.928 32.196 1.00 16.15 H new ATOM 0 HH TYR A 397 47.425 53.299 29.982 1.00 22.00 H new ATOM 1571 N SER A 398 45.436 49.652 35.133 1.00 17.22 N ANISOU 1571 N SER A 398 2320 1978 2246 171 -26 45 N ATOM 1572 CA SER A 398 46.635 48.909 34.757 1.00 21.41 C ANISOU 1572 CA SER A 398 2867 2507 2763 275 -61 -42 C ATOM 1573 C SER A 398 46.287 47.590 34.067 1.00 24.74 C ANISOU 1573 C SER A 398 3399 2788 3212 253 -48 -32 C ATOM 1574 O SER A 398 47.131 46.995 33.395 1.00 26.80 O ANISOU 1574 O SER A 398 3671 3043 3470 319 -71 -119 O ATOM 1575 CB SER A 398 47.509 48.644 35.985 1.00 25.09 C ANISOU 1575 CB SER A 398 3362 3007 3164 460 -101 -52 C ATOM 1576 OG SER A 398 46.868 47.766 36.893 1.00 32.56 O ANISOU 1576 OG SER A 398 4455 3837 4080 518 -79 62 O ATOM 0 H SER A 398 45.358 49.800 35.977 1.00 17.22 H new ATOM 0 HA SER A 398 47.130 49.455 34.126 1.00 21.41 H new ATOM 0 HB2 SER A 398 48.356 48.262 35.706 1.00 25.09 H new ATOM 0 HB3 SER A 398 47.709 49.483 36.429 1.00 25.09 H new ATOM 0 HG SER A 398 46.088 48.038 37.043 1.00 32.56 H new ATOM 1582 N ARG A 399 45.048 47.136 34.234 1.00 23.96 N ANISOU 1582 N ARG A 399 3378 2580 3145 156 -8 62 N ATOM 1583 CA ARG A 399 44.560 45.951 33.534 1.00 23.34 C ANISOU 1583 CA ARG A 399 3401 2354 3113 92 7 58 C ATOM 1584 C ARG A 399 44.636 46.127 32.023 1.00 24.63 C ANISOU 1584 C ARG A 399 3493 2564 3300 8 -13 -45 C ATOM 1585 O ARG A 399 44.806 45.158 31.282 1.00 19.02 O ANISOU 1585 O ARG A 399 2856 1762 2608 12 -25 -109 O ATOM 1586 CB ARG A 399 43.112 45.649 33.928 1.00 31.28 C ANISOU 1586 CB ARG A 399 4457 3266 4163 -42 63 165 C ATOM 1587 CG ARG A 399 42.950 44.813 35.185 1.00 78.41 C ANISOU 1587 CG ARG A 399 10571 9108 10112 31 107 276 C ATOM 1588 CD ARG A 399 41.493 44.774 35.645 1.00111.28 C ANISOU 1588 CD ARG A 399 14740 13226 14317 -121 183 387 C ATOM 1589 NE ARG A 399 40.552 44.790 34.521 1.00101.89 N ANISOU 1589 NE ARG A 399 13472 12037 13206 -312 185 335 N ATOM 1590 CZ ARG A 399 39.808 45.835 34.157 1.00 78.24 C ANISOU 1590 CZ ARG A 399 10327 9182 10219 -407 179 326 C ATOM 1591 NH1 ARG A 399 38.993 45.726 33.116 1.00 58.83 N ANISOU 1591 NH1 ARG A 399 7804 6731 7818 -555 167 270 N ATOM 1592 NH2 ARG A 399 39.860 46.986 34.822 1.00 39.51 N ANISOU 1592 NH2 ARG A 399 5342 4411 5261 -344 180 366 N ATOM 0 H ARG A 399 44.469 47.504 34.753 1.00 23.96 H new ATOM 0 HA ARG A 399 45.130 45.210 33.793 1.00 23.34 H new ATOM 0 HB2 ARG A 399 42.643 46.489 34.052 1.00 31.28 H new ATOM 0 HB3 ARG A 399 42.680 45.189 33.192 1.00 31.28 H new ATOM 0 HG2 ARG A 399 43.262 43.910 35.017 1.00 78.41 H new ATOM 0 HG3 ARG A 399 43.505 45.178 35.892 1.00 78.41 H new ATOM 0 HD2 ARG A 399 41.345 43.976 36.176 1.00111.28 H new ATOM 0 HD3 ARG A 399 41.318 45.534 36.221 1.00111.28 H new ATOM 0 HE ARG A 399 40.474 44.068 34.060 1.00101.89 H new ATOM 0 HH11 ARG A 399 38.947 44.985 32.681 1.00 58.83 H new ATOM 0 HH12 ARG A 399 38.510 46.396 32.876 1.00 58.83 H new ATOM 0 HH21 ARG A 399 40.381 47.067 35.501 1.00 39.51 H new ATOM 0 HH22 ARG A 399 39.373 47.649 34.572 1.00 39.51 H new ATOM 1606 N PHE A 400 44.503 47.371 31.576 1.00 18.52 N ANISOU 1606 N PHE A 400 2591 1928 2517 -59 -14 -60 N ATOM 1607 CA PHE A 400 44.356 47.668 30.156 1.00 15.75 C ANISOU 1607 CA PHE A 400 2180 1634 2169 -144 -22 -129 C ATOM 1608 C PHE A 400 45.690 47.800 29.421 1.00 17.87 C ANISOU 1608 C PHE A 400 2404 1987 2400 -62 -35 -233 C ATOM 1609 O PHE A 400 45.820 47.353 28.281 1.00 21.33 O ANISOU 1609 O PHE A 400 2853 2425 2827 -79 -43 -309 O ATOM 1610 CB PHE A 400 43.550 48.955 29.974 1.00 17.12 C ANISOU 1610 CB PHE A 400 2258 1906 2339 -239 -9 -81 C ATOM 1611 CG PHE A 400 42.103 48.828 30.365 1.00 17.91 C ANISOU 1611 CG PHE A 400 2370 1961 2476 -335 6 -1 C ATOM 1612 CD1 PHE A 400 41.201 48.182 29.535 1.00 25.40 C ANISOU 1612 CD1 PHE A 400 3329 2867 3454 -439 -6 -29 C ATOM 1613 CD2 PHE A 400 41.643 49.367 31.554 1.00 19.64 C ANISOU 1613 CD2 PHE A 400 2573 2194 2695 -323 32 87 C ATOM 1614 CE1 PHE A 400 39.868 48.069 29.889 1.00 34.34 C ANISOU 1614 CE1 PHE A 400 4441 3979 4627 -541 13 31 C ATOM 1615 CE2 PHE A 400 40.311 49.256 31.914 1.00 30.19 C ANISOU 1615 CE2 PHE A 400 3899 3510 4062 -412 59 158 C ATOM 1616 CZ PHE A 400 39.424 48.607 31.080 1.00 33.95 C ANISOU 1616 CZ PHE A 400 4369 3951 4578 -527 51 130 C ATOM 0 H PHE A 400 44.495 48.064 32.085 1.00 18.52 H new ATOM 0 HA PHE A 400 43.890 46.912 29.766 1.00 15.75 H new ATOM 0 HB2 PHE A 400 43.958 49.659 30.502 1.00 17.12 H new ATOM 0 HB3 PHE A 400 43.602 49.230 29.045 1.00 17.12 H new ATOM 0 HD1 PHE A 400 41.495 47.820 28.730 1.00 25.40 H new ATOM 0 HD2 PHE A 400 42.236 49.809 32.118 1.00 19.64 H new ATOM 0 HE1 PHE A 400 39.272 47.631 29.325 1.00 34.34 H new ATOM 0 HE2 PHE A 400 40.014 49.619 32.717 1.00 30.19 H new ATOM 0 HZ PHE A 400 38.529 48.532 31.320 1.00 33.95 H new ATOM 1626 N GLU A 401 46.674 48.418 30.064 1.00 16.96 N ANISOU 1626 N GLU A 401 2226 1955 2262 26 -36 -247 N ATOM 1627 CA GLU A 401 47.933 48.724 29.390 1.00 17.61 C ANISOU 1627 CA GLU A 401 2226 2149 2316 81 -32 -347 C ATOM 1628 C GLU A 401 49.000 47.672 29.675 1.00 20.71 C ANISOU 1628 C GLU A 401 2659 2520 2689 242 -61 -421 C ATOM 1629 O GLU A 401 49.255 47.325 30.828 1.00 19.25 O ANISOU 1629 O GLU A 401 2517 2300 2499 349 -87 -392 O ATOM 1630 CB GLU A 401 48.441 50.108 29.802 1.00 19.58 C ANISOU 1630 CB GLU A 401 2358 2519 2564 60 -14 -345 C ATOM 1631 CG GLU A 401 49.682 50.548 29.040 1.00 19.54 C ANISOU 1631 CG GLU A 401 2244 2639 2540 75 14 -445 C ATOM 1632 CD GLU A 401 49.991 52.028 29.204 1.00 23.55 C ANISOU 1632 CD GLU A 401 2646 3238 3065 -4 51 -440 C ATOM 1633 OE1 GLU A 401 49.224 52.738 29.889 1.00 20.98 O ANISOU 1633 OE1 GLU A 401 2337 2874 2759 -54 47 -365 O ATOM 1634 OE2 GLU A 401 51.009 52.484 28.642 1.00 28.99 O ANISOU 1634 OE2 GLU A 401 3234 4031 3750 -18 92 -515 O ATOM 0 H GLU A 401 46.635 48.668 30.886 1.00 16.96 H new ATOM 0 HA GLU A 401 47.757 48.719 28.436 1.00 17.61 H new ATOM 0 HB2 GLU A 401 47.736 50.759 29.662 1.00 19.58 H new ATOM 0 HB3 GLU A 401 48.638 50.103 30.752 1.00 19.58 H new ATOM 0 HG2 GLU A 401 50.443 50.029 29.345 1.00 19.54 H new ATOM 0 HG3 GLU A 401 49.563 50.351 28.098 1.00 19.54 H new ATOM 1641 N ALA A 402 49.627 47.186 28.609 1.00 17.19 N ANISOU 1641 N ALA A 402 2203 2106 2222 278 -56 -518 N ATOM 1642 CA ALA A 402 50.608 46.111 28.699 1.00 19.75 C ANISOU 1642 CA ALA A 402 2572 2409 2523 452 -85 -601 C ATOM 1643 C ALA A 402 51.768 46.459 29.625 1.00 24.24 C ANISOU 1643 C ALA A 402 3044 3096 3070 587 -108 -640 C ATOM 1644 O ALA A 402 52.287 47.575 29.594 1.00 22.94 O ANISOU 1644 O ALA A 402 2727 3082 2905 534 -85 -670 O ATOM 1645 CB ALA A 402 51.134 45.774 27.310 1.00 20.80 C ANISOU 1645 CB ALA A 402 2679 2600 2624 466 -66 -713 C ATOM 0 H ALA A 402 49.494 47.472 27.809 1.00 17.19 H new ATOM 0 HA ALA A 402 50.159 45.340 29.079 1.00 19.75 H new ATOM 0 HB1 ALA A 402 51.786 45.059 27.375 1.00 20.80 H new ATOM 0 HB2 ALA A 402 50.398 45.490 26.745 1.00 20.80 H new ATOM 0 HB3 ALA A 402 51.553 46.559 26.923 1.00 20.80 H new ATOM 1651 N ASN A 403 52.165 45.486 30.443 1.00 23.33 N ANISOU 1651 N ASN A 403 3022 2908 2934 764 -154 -643 N ATOM 1652 CA ASN A 403 53.326 45.608 31.322 1.00 27.77 C ANISOU 1652 CA ASN A 403 3495 3597 3457 938 -198 -701 C ATOM 1653 C ASN A 403 53.233 46.799 32.271 1.00 28.49 C ANISOU 1653 C ASN A 403 3485 3784 3555 873 -205 -659 C ATOM 1654 O ASN A 403 54.253 47.367 32.662 1.00 25.48 O ANISOU 1654 O ASN A 403 2952 3572 3156 943 -233 -747 O ATOM 1655 CB ASN A 403 54.608 45.718 30.492 1.00 29.86 C ANISOU 1655 CB ASN A 403 3604 4041 3701 1007 -190 -853 C ATOM 1656 CG ASN A 403 54.885 44.468 29.676 1.00 41.08 C ANISOU 1656 CG ASN A 403 5127 5383 5099 1127 -194 -921 C ATOM 1657 OD1 ASN A 403 55.105 44.539 28.466 1.00 53.86 O ANISOU 1657 OD1 ASN A 403 6686 7067 6712 1069 -150 -996 O ATOM 1658 ND2 ASN A 403 54.878 43.315 30.337 1.00 30.81 N ANISOU 1658 ND2 ASN A 403 3995 3935 3777 1305 -244 -894 N ATOM 0 H ASN A 403 51.763 44.728 30.504 1.00 23.33 H new ATOM 0 HA ASN A 403 53.345 44.805 31.866 1.00 27.77 H new ATOM 0 HB2 ASN A 403 54.539 46.480 29.896 1.00 29.86 H new ATOM 0 HB3 ASN A 403 55.358 45.887 31.083 1.00 29.86 H new ATOM 0 HD21 ASN A 403 55.031 42.579 29.919 1.00 30.81 H new ATOM 0 HD22 ASN A 403 54.720 43.305 31.182 1.00 30.81 H new ATOM 1665 N ASER A 404 52.012 47.168 32.644 0.37 28.37 N ANISOU 1665 N ASER A 404 4027 4024 2729 1987 -575 -682 N ATOM 1666 N BSER A 404 52.036 47.136 32.703 0.63 28.17 N ANISOU 1666 N BSER A 404 3999 3992 2710 1990 -578 -683 N ATOM 1667 CA ASER A 404 51.802 48.287 33.555 0.37 26.53 C ANISOU 1667 CA ASER A 404 3680 3752 2648 1760 -604 -535 C ATOM 1668 CA BSER A 404 51.867 48.215 33.636 0.63 26.35 C ANISOU 1668 CA BSER A 404 3654 3725 2633 1769 -608 -540 C ATOM 1669 C ASER A 404 51.543 47.797 34.975 0.37 28.78 C ANISOU 1669 C ASER A 404 4026 3833 3077 1703 -729 -566 C ATOM 1670 C BSER A 404 51.564 47.754 35.025 0.63 30.12 C ANISOU 1670 C BSER A 404 4197 3998 3250 1707 -733 -568 C ATOM 1671 O ASER A 404 51.046 46.690 35.183 0.37 27.27 O ANISOU 1671 O ASER A 404 4003 3482 2878 1722 -795 -666 O ATOM 1672 O BSER A 404 50.988 46.714 35.235 0.63 31.46 O ANISOU 1672 O BSER A 404 4537 4003 3415 1710 -800 -663 O ATOM 1673 CB ASER A 404 50.634 49.154 33.083 0.37 27.85 C ANISOU 1673 CB ASER A 404 3917 3872 2794 1599 -631 -470 C ATOM 1674 CB BSER A 404 50.771 49.154 33.165 0.63 27.73 C ANISOU 1674 CB BSER A 404 3884 3865 2788 1603 -623 -466 C ATOM 1675 OG ASER A 404 49.408 48.447 33.155 0.37 26.17 O ANISOU 1675 OG ASER A 404 3883 3465 2595 1578 -764 -584 O ATOM 1676 OG BSER A 404 51.175 49.733 31.969 0.63 45.87 O ANISOU 1676 OG BSER A 404 6127 6367 4934 1648 -499 -387 O ATOM 0 H ASER A 404 51.290 46.782 32.380 0.37 28.17 H new ATOM 0 H BSER A 404 51.307 46.748 32.464 0.63 28.17 H new ATOM 0 HA ASER A 404 52.611 48.822 33.557 0.37 26.35 H new ATOM 0 HA BSER A 404 52.718 48.680 33.668 0.63 26.35 H new ATOM 0 HB2ASER A 404 50.581 49.954 33.629 0.37 27.73 H new ATOM 0 HB2BSER A 404 49.940 48.668 33.041 0.63 27.73 H new ATOM 0 HB3ASER A 404 50.791 49.443 32.170 0.37 27.73 H new ATOM 0 HB3BSER A 404 50.603 49.838 33.832 0.63 27.73 H new ATOM 0 HG ASER A 404 49.184 48.195 32.386 0.37 45.87 H new ATOM 0 HG BSER A 404 50.646 50.352 31.765 0.63 45.87 H new ATOM 1687 N ARG A 405 51.885 48.635 35.947 1.00 25.76 N ANISOU 1687 N ARG A 405 3522 3460 2806 1559 -741 -465 N ATOM 1688 CA ARG A 405 51.689 48.310 37.351 1.00 19.97 C ANISOU 1688 CA ARG A 405 2871 2563 2155 1494 -849 -475 C ATOM 1689 C ARG A 405 51.651 49.602 38.156 1.00 22.53 C ANISOU 1689 C ARG A 405 3113 2885 2562 1274 -848 -389 C ATOM 1690 O ARG A 405 51.952 50.674 37.634 1.00 23.22 O ANISOU 1690 O ARG A 405 3058 3088 2676 1185 -768 -314 O ATOM 1691 CB ARG A 405 52.803 47.393 37.858 1.00 27.16 C ANISOU 1691 CB ARG A 405 3733 3520 3066 1611 -877 -493 C ATOM 1692 CG ARG A 405 54.183 48.015 37.774 1.00 22.93 C ANISOU 1692 CG ARG A 405 2914 3222 2577 1679 -858 -422 C ATOM 1693 CD ARG A 405 55.275 47.040 38.160 1.00 24.96 C ANISOU 1693 CD ARG A 405 3098 3525 2860 1820 -890 -434 C ATOM 1694 NE ARG A 405 56.600 47.586 37.875 1.00 26.88 N ANISOU 1694 NE ARG A 405 3007 4025 3182 1889 -848 -371 N ATOM 1695 CZ ARG A 405 57.274 48.396 38.686 1.00 29.51 C ANISOU 1695 CZ ARG A 405 3132 4463 3618 1776 -954 -297 C ATOM 1696 NH1 ARG A 405 56.759 48.767 39.851 1.00 29.26 N ANISOU 1696 NH1 ARG A 405 3237 4297 3582 1608 -1110 -289 N ATOM 1697 NH2 ARG A 405 58.473 48.836 38.329 1.00 30.25 N ANISOU 1697 NH2 ARG A 405 2873 4805 3817 1819 -901 -242 N ATOM 0 H AARG A 405 52.237 49.408 35.810 0.37 25.76 H new ATOM 0 H BARG A 405 52.212 49.415 35.791 0.63 25.76 H new ATOM 0 HA ARG A 405 50.849 47.837 37.456 1.00 19.97 H new ATOM 0 HB2 ARG A 405 52.620 47.153 38.780 1.00 27.16 H new ATOM 0 HB3 ARG A 405 52.795 46.571 37.343 1.00 27.16 H new ATOM 0 HG2 ARG A 405 54.339 48.331 36.870 1.00 22.93 H new ATOM 0 HG3 ARG A 405 54.223 48.790 38.356 1.00 22.93 H new ATOM 0 HD2 ARG A 405 55.206 46.831 39.105 1.00 24.96 H new ATOM 0 HD3 ARG A 405 55.155 46.208 37.676 1.00 24.96 H new ATOM 0 HE ARG A 405 56.970 47.368 37.130 1.00 26.88 H new ATOM 0 HH11 ARG A 405 55.982 48.483 40.088 1.00 29.26 H new ATOM 0 HH12 ARG A 405 57.202 49.291 40.369 1.00 29.26 H new ATOM 0 HH21 ARG A 405 58.812 48.597 37.575 1.00 30.25 H new ATOM 0 HH22 ARG A 405 58.912 49.360 38.851 1.00 30.25 H new ATOM 1711 N VAL A 406 51.282 49.494 39.427 1.00 23.05 N ANISOU 1711 N VAL A 406 3296 2803 2657 1186 -924 -401 N ATOM 1712 CA VAL A 406 51.182 50.654 40.302 1.00 21.96 C ANISOU 1712 CA VAL A 406 3138 2631 2576 983 -924 -364 C ATOM 1713 C VAL A 406 52.270 50.573 41.361 1.00 19.34 C ANISOU 1713 C VAL A 406 2752 2372 2225 983 -1045 -357 C ATOM 1714 O VAL A 406 52.448 49.528 41.984 1.00 21.36 O ANISOU 1714 O VAL A 406 3116 2581 2419 1102 -1142 -373 O ATOM 1715 CB VAL A 406 49.789 50.736 40.952 1.00 19.30 C ANISOU 1715 CB VAL A 406 2993 2079 2260 870 -891 -395 C ATOM 1716 CG1 VAL A 406 49.631 52.042 41.715 1.00 17.06 C ANISOU 1716 CG1 VAL A 406 2705 1745 2032 680 -854 -386 C ATOM 1717 CG2 VAL A 406 48.698 50.587 39.901 1.00 29.89 C ANISOU 1717 CG2 VAL A 406 4360 3359 3638 894 -829 -407 C ATOM 0 H VAL A 406 51.083 48.748 39.805 1.00 23.05 H new ATOM 0 HA VAL A 406 51.304 51.461 39.777 1.00 21.96 H new ATOM 0 HB VAL A 406 49.702 50.005 41.583 1.00 19.30 H new ATOM 0 HG11 VAL A 406 48.749 52.077 42.118 1.00 17.06 H new ATOM 0 HG12 VAL A 406 50.306 52.095 42.410 1.00 17.06 H new ATOM 0 HG13 VAL A 406 49.737 52.788 41.105 1.00 17.06 H new ATOM 0 HG21 VAL A 406 47.828 50.641 40.327 1.00 29.89 H new ATOM 0 HG22 VAL A 406 48.781 51.297 39.245 1.00 29.89 H new ATOM 0 HG23 VAL A 406 48.789 49.728 39.460 1.00 29.89 H new ATOM 1727 N ASP A 407 53.001 51.665 41.571 1.00 24.53 N ANISOU 1727 N ASP A 407 3245 3133 2944 847 -1061 -327 N ATOM 1728 CA ASP A 407 54.051 51.667 42.588 1.00 27.39 C ANISOU 1728 CA ASP A 407 3530 3584 3293 823 -1227 -331 C ATOM 1729 C ASP A 407 53.507 52.167 43.928 1.00 31.59 C ANISOU 1729 C ASP A 407 4273 3971 3759 651 -1295 -383 C ATOM 1730 O ASP A 407 52.304 52.375 44.081 1.00 24.42 O ANISOU 1730 O ASP A 407 3558 2889 2833 580 -1182 -413 O ATOM 1731 CB ASP A 407 55.256 52.507 42.139 1.00 32.16 C ANISOU 1731 CB ASP A 407 3814 4388 4018 745 -1230 -285 C ATOM 1732 CG ASP A 407 54.952 53.994 42.044 1.00 34.62 C ANISOU 1732 CG ASP A 407 4098 4630 4425 491 -1141 -274 C ATOM 1733 OD1 ASP A 407 53.912 54.447 42.564 1.00 35.38 O ANISOU 1733 OD1 ASP A 407 4418 4531 4494 381 -1106 -323 O ATOM 1734 OD2 ASP A 407 55.781 54.718 41.452 1.00 30.25 O ANISOU 1734 OD2 ASP A 407 3292 4207 3994 404 -1089 -211 O ATOM 0 H ASP A 407 52.908 52.405 41.143 1.00 24.53 H new ATOM 0 HA ASP A 407 54.354 50.753 42.706 1.00 27.39 H new ATOM 0 HB2 ASP A 407 55.987 52.372 42.763 1.00 32.16 H new ATOM 0 HB3 ASP A 407 55.559 52.189 41.274 1.00 32.16 H new ATOM 1739 N SER A 408 54.403 52.364 44.890 1.00 30.29 N ANISOU 1739 N SER A 408 4063 3890 3555 589 -1480 -401 N ATOM 1740 CA SER A 408 54.013 52.632 46.271 1.00 34.54 C ANISOU 1740 CA SER A 408 4855 4316 3954 461 -1569 -468 C ATOM 1741 C SER A 408 53.276 53.958 46.464 1.00 39.35 C ANISOU 1741 C SER A 408 5556 4783 4611 235 -1439 -544 C ATOM 1742 O SER A 408 52.539 54.124 47.438 1.00 38.14 O ANISOU 1742 O SER A 408 5671 4490 4332 157 -1409 -616 O ATOM 1743 CB SER A 408 55.252 52.605 47.167 1.00 38.13 C ANISOU 1743 CB SER A 408 5221 4925 4344 443 -1848 -478 C ATOM 1744 OG SER A 408 56.217 53.545 46.727 1.00 71.68 O ANISOU 1744 OG SER A 408 9151 9318 8768 311 -1899 -486 O ATOM 0 H SER A 408 55.253 52.346 44.761 1.00 30.29 H new ATOM 0 HA SER A 408 53.387 51.933 46.517 1.00 34.54 H new ATOM 0 HB2 SER A 408 54.998 52.802 48.082 1.00 38.13 H new ATOM 0 HB3 SER A 408 55.638 51.715 47.165 1.00 38.13 H new ATOM 0 HG SER A 408 56.888 53.516 47.232 1.00 71.68 H new ATOM 1750 N SER A 409 53.477 54.893 45.557 1.00 40.63 N ANISOU 1750 N SER A 409 5513 4972 4954 141 -1345 -522 N ATOM 1751 CA SER A 409 52.835 56.200 45.636 1.00 34.49 C ANISOU 1751 CA SER A 409 4811 4027 4267 -51 -1220 -580 C ATOM 1752 C SER A 409 51.578 56.297 44.817 1.00 33.35 C ANISOU 1752 C SER A 409 4728 3744 4199 9 -1002 -536 C ATOM 1753 O SER A 409 50.895 57.271 44.839 1.00 38.75 O ANISOU 1753 O SER A 409 5482 4267 4975 -97 -884 -569 O ATOM 1754 CB SER A 409 53.797 57.261 45.203 1.00 35.17 C ANISOU 1754 CB SER A 409 4654 4184 4525 -214 -1255 -560 C ATOM 1755 OG SER A 409 53.889 57.295 43.834 1.00 49.43 O ANISOU 1755 OG SER A 409 6260 6064 6455 -143 -1121 -431 O ATOM 0 H SER A 409 53.990 54.793 44.874 1.00 40.63 H new ATOM 0 HA SER A 409 52.577 56.328 46.562 1.00 34.49 H new ATOM 0 HB2 SER A 409 53.506 58.125 45.535 1.00 35.17 H new ATOM 0 HB3 SER A 409 54.671 57.090 45.587 1.00 35.17 H new ATOM 0 HG SER A 409 53.921 56.510 43.536 1.00 49.43 H new ATOM 1761 N GLY A 410 51.281 55.253 44.088 1.00 27.94 N ANISOU 1761 N GLY A 410 4015 3118 3483 188 -966 -469 N ATOM 1762 CA GLY A 410 50.090 55.216 43.262 1.00 20.00 C ANISOU 1762 CA GLY A 410 3046 2008 2543 250 -812 -431 C ATOM 1763 C GLY A 410 50.342 55.539 41.803 1.00 23.69 C ANISOU 1763 C GLY A 410 3324 2576 3103 295 -753 -326 C ATOM 1764 O GLY A 410 49.405 55.591 41.006 1.00 24.19 O ANISOU 1764 O GLY A 410 3405 2575 3210 347 -665 -284 O ATOM 0 H GLY A 410 51.760 54.540 44.053 1.00 27.94 H new ATOM 0 HA2 GLY A 410 49.692 54.334 43.324 1.00 20.00 H new ATOM 0 HA3 GLY A 410 49.442 55.845 43.616 1.00 20.00 H new ATOM 1768 N AARG A 411 51.553 55.902 41.413 0.67 26.35 N ANISOU 1768 N AARG A 411 3469 3080 3465 277 -795 -273 N ATOM 1769 N BARG A 411 51.561 55.888 41.422 0.33 25.71 N ANISOU 1769 N BARG A 411 3387 2999 3382 278 -796 -273 N ATOM 1770 CA AARG A 411 51.844 56.182 40.024 0.67 19.60 C ANISOU 1770 CA AARG A 411 2456 2332 2658 314 -700 -157 C ATOM 1771 CA BARG A 411 51.865 56.164 40.034 0.33 22.10 C ANISOU 1771 CA BARG A 411 2771 2651 2975 313 -702 -157 C ATOM 1772 C AARG A 411 51.890 54.911 39.185 0.67 23.98 C ANISOU 1772 C AARG A 411 2989 3024 3099 532 -695 -144 C ATOM 1773 C BARG A 411 51.875 54.897 39.191 0.33 22.49 C ANISOU 1773 C BARG A 411 2797 2838 2910 532 -695 -143 C ATOM 1774 O AARG A 411 52.092 53.822 39.709 0.67 23.85 O ANISOU 1774 O AARG A 411 3026 3032 3005 646 -782 -214 O ATOM 1775 O BARG A 411 52.085 53.804 39.702 0.33 21.86 O ANISOU 1775 O BARG A 411 2773 2780 2753 646 -782 -214 O ATOM 1776 CB AARG A 411 53.143 56.970 39.911 0.67 25.13 C ANISOU 1776 CB AARG A 411 2938 3152 3458 182 -699 -93 C ATOM 1777 CB BARG A 411 53.190 56.906 39.919 0.33 24.13 C ANISOU 1777 CB BARG A 411 2813 3021 3335 173 -701 -96 C ATOM 1778 CG AARG A 411 53.200 58.117 40.903 0.67 29.44 C ANISOU 1778 CG AARG A 411 3535 3529 4120 -52 -729 -145 C ATOM 1779 CG BARG A 411 53.063 58.381 40.242 0.33 28.39 C ANISOU 1779 CG BARG A 411 3417 3362 4006 -54 -686 -118 C ATOM 1780 CD AARG A 411 54.336 59.076 40.625 0.67 35.66 C ANISOU 1780 CD AARG A 411 4100 4397 5054 -234 -732 -83 C ATOM 1781 CD BARG A 411 54.232 58.903 41.045 0.33 34.14 C ANISOU 1781 CD BARG A 411 3980 4128 4863 -266 -745 -120 C ATOM 1782 NE AARG A 411 53.901 60.464 40.728 0.67 38.95 N ANISOU 1782 NE AARG A 411 4594 4584 5622 -431 -654 -62 N ATOM 1783 NE BARG A 411 53.791 59.557 42.273 0.33 38.39 N ANISOU 1783 NE BARG A 411 4695 4471 5422 -426 -835 -271 N ATOM 1784 CZ AARG A 411 53.456 61.032 41.842 0.67 44.58 C ANISOU 1784 CZ AARG A 411 5483 5081 6373 -567 -711 -202 C ATOM 1785 CZ BARG A 411 53.391 60.817 42.337 0.33 44.62 C ANISOU 1785 CZ BARG A 411 5573 5032 6347 -596 -764 -289 C ATOM 1786 NH1AARG A 411 53.382 60.342 42.968 0.67 36.03 N ANISOU 1786 NH1AARG A 411 4534 3998 5159 -550 -849 -364 N ATOM 1787 NH1BARG A 411 53.373 61.556 41.241 0.33 51.68 N ANISOU 1787 NH1BARG A 411 6393 5860 7383 -634 -614 -132 N ATOM 1788 NH2AARG A 411 53.083 62.300 41.829 0.67 59.86 N ANISOU 1788 NH2AARG A 411 7485 6787 8473 -713 -613 -171 N ATOM 1789 NH2BARG A 411 53.011 61.332 43.491 0.33 37.57 N ANISOU 1789 NH2BARG A 411 4867 3974 5435 -715 -836 -460 N ATOM 0 H AARG A 411 52.224 55.992 41.944 0.67 25.71 H new ATOM 0 H BARG A 411 52.229 55.970 41.958 0.33 25.71 H new ATOM 0 HA AARG A 411 51.122 56.723 39.669 0.67 22.10 H new ATOM 0 HA BARG A 411 51.160 56.731 39.685 0.33 22.10 H new ATOM 0 HB2AARG A 411 53.895 56.376 40.061 0.67 24.13 H new ATOM 0 HB2BARG A 411 53.836 56.502 40.519 0.33 24.13 H new ATOM 0 HB3AARG A 411 53.232 57.318 39.010 0.67 24.13 H new ATOM 0 HB3BARG A 411 53.536 56.804 39.019 0.33 24.13 H new ATOM 0 HG2AARG A 411 52.360 58.602 40.879 0.67 28.39 H new ATOM 0 HG2BARG A 411 52.992 58.885 39.416 0.33 28.39 H new ATOM 0 HG3AARG A 411 53.296 57.759 41.800 0.67 28.39 H new ATOM 0 HG3BARG A 411 52.242 58.531 40.737 0.33 28.39 H new ATOM 0 HD2AARG A 411 55.058 58.915 41.252 0.67 34.14 H new ATOM 0 HD2BARG A 411 54.828 58.170 41.264 0.33 34.14 H new ATOM 0 HD3AARG A 411 54.690 58.912 39.737 0.67 34.14 H new ATOM 0 HD3BARG A 411 54.740 59.531 40.508 0.33 34.14 H new ATOM 0 HE AARG A 411 53.935 60.948 40.018 0.67 38.39 H new ATOM 0 HE BARG A 411 53.791 59.096 42.999 0.33 38.39 H new ATOM 0 HH11AARG A 411 53.624 59.517 42.983 0.67 51.68 H new ATOM 0 HH11BARG A 411 53.621 61.218 40.490 0.33 51.68 H new ATOM 0 HH12AARG A 411 53.092 60.719 43.685 0.67 51.68 H new ATOM 0 HH12BARG A 411 53.114 62.375 41.279 0.33 51.68 H new ATOM 0 HH21AARG A 411 53.129 62.754 41.100 0.67 37.57 H new ATOM 0 HH21BARG A 411 53.023 60.849 44.202 0.33 37.57 H new ATOM 0 HH22AARG A 411 52.794 62.671 42.549 0.67 37.57 H new ATOM 0 HH22BARG A 411 52.751 62.151 43.532 0.33 37.57 H new ATOM 1816 N ILE A 412 51.380 55.036 37.971 1.00 19.37 N ANISOU 1816 N ILE A 412 2409 2456 2495 587 -601 -70 N ATOM 1817 CA ILE A 412 51.327 53.962 36.992 1.00 19.63 C ANISOU 1817 CA ILE A 412 2461 2603 2395 786 -589 -84 C ATOM 1818 C ILE A 412 52.685 53.886 36.309 1.00 27.88 C ANISOU 1818 C ILE A 412 3308 3884 3401 858 -516 -25 C ATOM 1819 O ILE A 412 53.128 54.851 35.689 1.00 26.85 O ANISOU 1819 O ILE A 412 3055 3835 3312 766 -405 102 O ATOM 1820 CB ILE A 412 50.199 54.184 35.973 1.00 18.76 C ANISOU 1820 CB ILE A 412 2445 2440 2243 817 -552 -37 C ATOM 1821 CG1 ILE A 412 48.842 54.160 36.677 1.00 20.81 C ANISOU 1821 CG1 ILE A 412 2841 2479 2585 761 -609 -102 C ATOM 1822 CG2 ILE A 412 50.245 53.124 34.875 1.00 19.69 C ANISOU 1822 CG2 ILE A 412 2606 2689 2187 1010 -553 -81 C ATOM 1823 CD1 ILE A 412 47.728 54.756 35.856 1.00 23.93 C ANISOU 1823 CD1 ILE A 412 3268 2808 3014 756 -599 -27 C ATOM 0 H AILE A 412 51.043 55.773 37.683 0.67 19.37 H new ATOM 0 H BILE A 412 51.056 55.778 37.681 0.33 19.37 H new ATOM 0 HA ILE A 412 51.131 53.122 37.435 1.00 19.63 H new ATOM 0 HB ILE A 412 50.324 55.053 35.561 1.00 18.76 H new ATOM 0 HG12 ILE A 412 48.616 53.243 36.898 1.00 20.81 H new ATOM 0 HG13 ILE A 412 48.912 54.644 37.515 1.00 20.81 H new ATOM 0 HG21 ILE A 412 49.526 53.281 34.243 1.00 19.69 H new ATOM 0 HG22 ILE A 412 51.097 53.172 34.414 1.00 19.69 H new ATOM 0 HG23 ILE A 412 50.141 52.244 35.270 1.00 19.69 H new ATOM 0 HD11 ILE A 412 46.898 54.711 36.356 1.00 23.93 H new ATOM 0 HD12 ILE A 412 47.934 55.682 35.655 1.00 23.93 H new ATOM 0 HD13 ILE A 412 47.634 54.259 35.028 1.00 23.93 H new ATOM 1835 N AVAL A 413 53.350 52.743 36.429 0.39 23.82 N ANISOU 1835 N AVAL A 413 2757 3468 2826 1027 -561 -104 N ATOM 1836 N BVAL A 413 53.332 52.730 36.429 0.61 24.05 N ANISOU 1836 N BVAL A 413 2789 3494 2853 1029 -562 -105 N ATOM 1837 CA AVAL A 413 54.651 52.563 35.803 0.39 28.11 C ANISOU 1837 CA AVAL A 413 3078 4248 3355 1134 -466 -61 C ATOM 1838 CA BVAL A 413 54.647 52.502 35.843 0.61 28.55 C ANISOU 1838 CA BVAL A 413 3138 4299 3409 1141 -473 -68 C ATOM 1839 C AVAL A 413 54.583 51.423 34.798 0.39 30.43 C ANISOU 1839 C AVAL A 413 3458 4621 3483 1388 -404 -135 C ATOM 1840 C BVAL A 413 54.542 51.421 34.776 0.61 24.09 C ANISOU 1840 C BVAL A 413 2662 3814 2676 1388 -404 -136 C ATOM 1841 O AVAL A 413 53.971 50.386 35.055 0.39 27.94 O ANISOU 1841 O AVAL A 413 3329 4174 3113 1505 -506 -255 O ATOM 1842 O BVAL A 413 53.861 50.414 34.972 0.61 23.47 O ANISOU 1842 O BVAL A 413 2780 3601 2537 1500 -502 -255 O ATOM 1843 CB AVAL A 413 55.753 52.312 36.852 0.39 35.22 C ANISOU 1843 CB AVAL A 413 3796 5219 4366 1136 -576 -88 C ATOM 1844 CB BVAL A 413 55.676 52.107 36.925 0.61 33.67 C ANISOU 1844 CB BVAL A 413 3631 5006 4157 1165 -595 -108 C ATOM 1845 CG1AVAL A 413 55.901 53.521 37.763 0.39 41.03 C ANISOU 1845 CG1AVAL A 413 4458 5888 5245 862 -646 -43 C ATOM 1846 CG1BVAL A 413 57.015 51.725 36.296 0.61 36.44 C ANISOU 1846 CG1BVAL A 413 3706 5611 4529 1326 -493 -78 C ATOM 1847 CG2AVAL A 413 55.455 51.062 37.662 0.39 41.64 C ANISOU 1847 CG2AVAL A 413 4779 5913 5127 1289 -734 -202 C ATOM 1848 CG2BVAL A 413 55.857 53.239 37.923 0.61 38.81 C ANISOU 1848 CG2BVAL A 413 4208 5593 4946 901 -679 -69 C ATOM 0 H AVAL A 413 53.065 52.061 36.868 0.39 24.05 H new ATOM 0 H BVAL A 413 53.017 52.053 36.855 0.61 24.05 H new ATOM 0 HA AVAL A 413 54.884 53.381 35.336 0.39 28.55 H new ATOM 0 HA BVAL A 413 54.957 53.325 35.434 0.61 28.55 H new ATOM 0 HB AVAL A 413 56.592 52.173 36.386 0.39 33.67 H new ATOM 0 HB BVAL A 413 55.335 51.331 37.396 0.61 33.67 H new ATOM 0 HG11AVAL A 413 56.596 53.350 38.417 0.39 36.44 H new ATOM 0 HG11BVAL A 413 57.643 51.482 36.994 0.61 36.44 H new ATOM 0 HG12AVAL A 413 56.139 54.298 37.234 0.39 36.44 H new ATOM 0 HG12BVAL A 413 56.889 50.972 35.698 0.61 36.44 H new ATOM 0 HG13AVAL A 413 55.062 53.687 38.220 0.39 36.44 H new ATOM 0 HG13BVAL A 413 57.365 52.479 35.796 0.61 36.44 H new ATOM 0 HG21AVAL A 413 56.159 50.923 38.314 0.39 38.81 H new ATOM 0 HG21BVAL A 413 56.505 52.977 38.596 0.61 38.81 H new ATOM 0 HG22AVAL A 413 54.607 51.168 38.120 0.39 38.81 H new ATOM 0 HG22BVAL A 413 56.174 54.031 37.461 0.61 38.81 H new ATOM 0 HG23AVAL A 413 55.408 50.296 37.069 0.39 38.81 H new ATOM 0 HG23BVAL A 413 55.008 53.433 38.351 0.61 38.81 H new ATOM 1867 N THR A 414 55.214 51.632 33.649 1.00 27.34 N ANISOU 1867 N THR A 414 2947 4434 3008 1463 -222 -66 N ATOM 1868 CA THR A 414 55.249 50.636 32.587 1.00 34.58 C ANISOU 1868 CA THR A 414 3963 5446 3728 1712 -133 -159 C ATOM 1869 C THR A 414 56.681 50.159 32.390 1.00 34.76 C ANISOU 1869 C THR A 414 3736 5687 3783 1892 1 -169 C ATOM 1870 O THR A 414 57.582 50.959 32.137 1.00 40.99 O ANISOU 1870 O THR A 414 4263 6662 4649 1807 158 -34 O ATOM 1871 CB THR A 414 54.702 51.197 31.262 1.00 39.82 C ANISOU 1871 CB THR A 414 4744 6188 4196 1691 -6 -79 C ATOM 1872 OG1 THR A 414 53.392 51.738 31.475 1.00 43.39 O ANISOU 1872 OG1 THR A 414 5370 6446 4672 1534 -144 -49 O ATOM 1873 CG2 THR A 414 54.628 50.103 30.205 1.00 45.65 C ANISOU 1873 CG2 THR A 414 5651 7009 4686 1945 54 -225 C ATOM 0 H ATHR A 414 55.635 52.358 33.463 0.39 27.34 H new ATOM 0 H BTHR A 414 55.658 52.349 33.480 0.61 27.34 H new ATOM 0 HA THR A 414 54.682 49.894 32.850 1.00 34.58 H new ATOM 0 HB THR A 414 55.301 51.893 30.951 1.00 39.82 H new ATOM 0 HG1 THR A 414 52.847 51.111 31.601 1.00 43.39 H new ATOM 0 HG21 THR A 414 54.282 50.474 29.378 1.00 45.65 H new ATOM 0 HG22 THR A 414 55.515 49.742 30.050 1.00 45.65 H new ATOM 0 HG23 THR A 414 54.040 49.395 30.512 1.00 45.65 H new ATOM 1881 N ASP A 415 56.886 48.852 32.516 1.00 34.69 N ANISOU 1881 N ASP A 415 3795 5640 3743 2140 -53 -324 N ATOM 1882 CA ASP A 415 58.209 48.268 32.354 1.00 42.31 C ANISOU 1882 CA ASP A 415 4513 6796 4766 2371 71 -351 C ATOM 1883 C ASP A 415 58.466 47.909 30.893 1.00 54.11 C ANISOU 1883 C ASP A 415 6056 8465 6038 2579 332 -408 C ATOM 1884 O ASP A 415 57.534 47.747 30.105 1.00 59.10 O ANISOU 1884 O ASP A 415 6985 9027 6443 2591 339 -480 O ATOM 1885 CB ASP A 415 58.358 47.027 33.235 1.00 40.70 C ANISOU 1885 CB ASP A 415 4405 6406 4653 2488 -113 -462 C ATOM 1886 CG ASP A 415 58.052 47.308 34.695 1.00 38.65 C ANISOU 1886 CG ASP A 415 4157 5985 4542 2305 -357 -412 C ATOM 1887 OD1 ASP A 415 58.874 47.972 35.360 1.00 36.70 O ANISOU 1887 OD1 ASP A 415 3624 5864 4456 2216 -407 -315 O ATOM 1888 OD2 ASP A 415 56.991 46.860 35.179 1.00 37.61 O ANISOU 1888 OD2 ASP A 415 4322 5607 4362 2232 -495 -474 O ATOM 1889 OXT ASP A 415 59.614 47.774 30.467 1.00 56.79 O ANISOU 1889 OXT ASP A 415 6159 9002 6417 2694 529 -380 O ATOM 0 H ASP A 415 56.266 48.284 32.696 1.00 34.69 H new ATOM 0 HA ASP A 415 58.866 48.927 32.629 1.00 42.31 H new ATOM 0 HB2 ASP A 415 57.764 46.332 32.912 1.00 40.70 H new ATOM 0 HB3 ASP A 415 59.263 46.686 33.157 1.00 40.70 H new TER 1894 ASP A 415 ATOM 1895 N ASN B 3 36.293 42.464 22.976 1.00109.47 N ANISOU 1895 N ASN B 3 16389 10423 14780 -468 134 143 N ATOM 1896 CA ASN B 3 36.296 43.488 24.013 1.00 96.14 C ANISOU 1896 CA ASN B 3 14450 9035 13043 -391 342 378 C ATOM 1897 C ASN B 3 37.237 44.630 23.641 1.00 84.02 C ANISOU 1897 C ASN B 3 12901 7832 11189 -130 383 224 C ATOM 1898 O ASN B 3 37.881 44.596 22.593 1.00100.23 O ANISOU 1898 O ASN B 3 15143 9886 13054 1 267 -24 O ATOM 1899 CB ASN B 3 36.705 42.884 25.360 1.00 88.75 C ANISOU 1899 CB ASN B 3 13516 8092 12112 -168 583 639 C ATOM 1900 CG ASN B 3 38.128 42.358 25.357 1.00 86.00 C ANISOU 1900 CG ASN B 3 13421 7775 11481 232 675 517 C ATOM 1901 OD1 ASN B 3 38.712 42.115 24.300 1.00 77.04 O ANISOU 1901 OD1 ASN B 3 12497 6581 10192 324 550 263 O ATOM 1902 ND2 ASN B 3 38.693 42.174 26.545 1.00 78.22 N ANISOU 1902 ND2 ASN B 3 12393 6933 10394 500 898 711 N ATOM 0 HA ASN B 3 35.397 43.843 24.091 1.00 96.14 H new ATOM 0 HB2 ASN B 3 36.614 43.557 26.053 1.00 88.75 H new ATOM 0 HB3 ASN B 3 36.098 42.162 25.584 1.00 88.75 H new ATOM 0 HD21 ASN B 3 39.497 41.874 26.597 1.00 78.22 H new ATOM 0 HD22 ASN B 3 38.254 42.355 27.262 1.00 78.22 H new ATOM 1908 N TYR B 4 37.238 45.657 24.468 1.00 78.11 N ANISOU 1908 N TYR B 4 11844 7448 10387 -29 525 383 N ATOM 1909 CA TYR B 4 38.137 46.768 24.272 1.00 68.24 C ANISOU 1909 CA TYR B 4 10429 6601 8897 186 535 274 C ATOM 1910 C TYR B 4 37.475 47.656 23.250 1.00 54.91 C ANISOU 1910 C TYR B 4 8626 5052 7184 23 352 95 C ATOM 1911 O TYR B 4 37.660 47.450 22.053 1.00 47.96 O ANISOU 1911 O TYR B 4 7963 4012 6249 6 219 -91 O ATOM 1912 CB TYR B 4 39.483 46.282 23.764 1.00 47.67 C ANISOU 1912 CB TYR B 4 8045 4007 6062 539 607 186 C ATOM 1913 CG TYR B 4 40.509 47.366 23.635 1.00 37.55 C ANISOU 1913 CG TYR B 4 6596 3095 4575 731 597 97 C ATOM 1914 CD1 TYR B 4 40.737 48.255 24.667 1.00 52.45 C ANISOU 1914 CD1 TYR B 4 8222 5286 6422 825 664 192 C ATOM 1915 CD2 TYR B 4 41.252 47.500 22.481 1.00 45.34 C ANISOU 1915 CD2 TYR B 4 7693 4123 5413 834 516 -67 C ATOM 1916 CE1 TYR B 4 41.682 49.251 24.554 1.00 40.15 C ANISOU 1916 CE1 TYR B 4 6492 4028 4733 957 634 133 C ATOM 1917 CE2 TYR B 4 42.198 48.492 22.355 1.00 42.21 C ANISOU 1917 CE2 TYR B 4 7098 4071 4869 998 528 -83 C ATOM 1918 CZ TYR B 4 42.409 49.362 23.397 1.00 43.26 C ANISOU 1918 CZ TYR B 4 6952 4465 5020 1030 580 23 C ATOM 1919 OH TYR B 4 43.338 50.348 23.281 1.00 36.78 O ANISOU 1919 OH TYR B 4 5918 3938 4120 1132 566 28 O ATOM 0 H TYR B 4 36.722 45.728 25.152 1.00 78.11 H new ATOM 0 HA TYR B 4 38.304 47.242 25.102 1.00 68.24 H new ATOM 0 HB2 TYR B 4 39.819 45.600 24.366 1.00 47.67 H new ATOM 0 HB3 TYR B 4 39.360 45.861 22.899 1.00 47.67 H new ATOM 0 HD1 TYR B 4 40.244 48.180 25.452 1.00 52.45 H new ATOM 0 HD2 TYR B 4 41.112 46.910 21.776 1.00 45.34 H new ATOM 0 HE1 TYR B 4 41.826 49.843 25.257 1.00 40.15 H new ATOM 0 HE2 TYR B 4 42.691 48.573 21.570 1.00 42.21 H new ATOM 0 HH TYR B 4 43.706 50.299 22.527 1.00 36.78 H new ATOM 1929 N ALYS B 5 37.847 48.907 23.375 0.75 54.15 N ANISOU 1929 N ALYS B 5 8242 5297 7037 47 376 131 N ATOM 1930 N BLYS B 5 37.925 48.914 23.344 0.25 53.99 N ANISOU 1930 N BLYS B 5 8227 5282 7003 63 376 122 N ATOM 1931 CA ALYS B 5 37.709 49.929 22.354 0.75 50.34 C ANISOU 1931 CA ALYS B 5 7610 5017 6499 -32 255 7 C ATOM 1932 CA BLYS B 5 37.642 49.805 22.223 0.25 50.61 C ANISOU 1932 CA BLYS B 5 7672 5017 6541 -52 237 -8 C ATOM 1933 C ALYS B 5 38.345 51.187 22.927 0.75 41.10 C ANISOU 1933 C ALYS B 5 6214 4161 5241 123 330 59 C ATOM 1934 C BLYS B 5 38.533 50.995 21.923 0.25 41.47 C ANISOU 1934 C BLYS B 5 6356 4170 5231 118 255 -56 C ATOM 1935 O ALYS B 5 38.276 51.418 24.136 0.75 37.39 O ANISOU 1935 O ALYS B 5 5650 3758 4798 189 424 187 O ATOM 1936 O BLYS B 5 39.194 51.061 20.886 0.25 37.66 O ANISOU 1936 O BLYS B 5 5945 3749 4615 231 207 -171 O ATOM 1937 CB ALYS B 5 36.241 50.176 21.997 0.75 55.56 C ANISOU 1937 CB ALYS B 5 8123 5655 7334 -352 140 41 C ATOM 1938 CB BLYS B 5 36.213 50.250 22.370 0.25 54.13 C ANISOU 1938 CB BLYS B 5 7902 5496 7168 -337 182 95 C ATOM 1939 CG ALYS B 5 35.411 48.913 21.799 0.75 70.55 C ANISOU 1939 CG ALYS B 5 10187 7205 9413 -588 41 45 C ATOM 1940 CG BLYS B 5 35.314 49.082 22.262 0.25 68.86 C ANISOU 1940 CG BLYS B 5 9895 7042 9227 -579 102 130 C ATOM 1941 CD ALYS B 5 33.941 49.235 21.562 0.75 82.59 C ANISOU 1941 CD ALYS B 5 11475 8774 11130 -920 -78 128 C ATOM 1942 CD BLYS B 5 35.125 48.751 20.806 0.25 80.07 C ANISOU 1942 CD BLYS B 5 11468 8342 10613 -700 -123 -106 C ATOM 1943 CE ALYS B 5 33.713 49.890 20.209 0.75 83.84 C ANISOU 1943 CE ALYS B 5 11580 9092 11185 -982 -264 -68 C ATOM 1944 CE BLYS B 5 34.069 49.656 20.210 0.25 83.50 C ANISOU 1944 CE BLYS B 5 11630 8991 11106 -916 -249 -103 C ATOM 1945 NZ ALYS B 5 32.274 50.203 19.981 0.75 84.65 N ANISOU 1945 NZ ALYS B 5 11422 9283 11458 -1288 -388 28 N ATOM 1946 NZ BLYS B 5 33.494 49.098 18.949 0.25 85.56 N ANISOU 1946 NZ BLYS B 5 12026 9095 11390 -1106 -518 -308 N ATOM 0 H ALYS B 5 38.208 49.206 24.096 0.75 53.99 H new ATOM 0 H BLYS B 5 38.366 49.250 24.002 0.25 53.99 H new ATOM 0 HA ALYS B 5 38.142 49.653 21.531 0.75 50.61 H new ATOM 0 HA BLYS B 5 37.838 49.258 21.446 0.25 50.61 H new ATOM 0 HB2ALYS B 5 35.835 50.708 22.699 0.75 54.13 H new ATOM 0 HB2BLYS B 5 36.088 50.687 23.227 0.25 54.13 H new ATOM 0 HB3ALYS B 5 36.203 50.704 21.184 0.75 54.13 H new ATOM 0 HB3BLYS B 5 35.996 50.901 21.685 0.25 54.13 H new ATOM 0 HG2ALYS B 5 35.758 48.412 21.044 0.75 68.86 H new ATOM 0 HG2BLYS B 5 35.691 48.323 22.733 0.25 68.86 H new ATOM 0 HG3ALYS B 5 35.496 48.344 22.580 0.75 68.86 H new ATOM 0 HG3BLYS B 5 34.459 49.277 22.676 0.25 68.86 H new ATOM 0 HD2ALYS B 5 33.419 48.419 21.618 0.75 80.07 H new ATOM 0 HD2BLYS B 5 35.963 48.859 20.329 0.25 80.07 H new ATOM 0 HD3ALYS B 5 33.622 49.824 22.264 0.75 80.07 H new ATOM 0 HD3BLYS B 5 34.861 47.823 20.708 0.25 80.07 H new ATOM 0 HE2ALYS B 5 34.234 50.706 20.153 0.75 83.50 H new ATOM 0 HE2BLYS B 5 33.358 49.790 20.856 0.25 83.50 H new ATOM 0 HE3ALYS B 5 34.031 49.301 19.507 0.75 83.50 H new ATOM 0 HE3BLYS B 5 34.456 50.527 20.029 0.25 83.50 H new ATOM 0 HZ1ALYS B 5 32.205 50.952 19.506 0.75 85.56 H new ATOM 0 HZ1BLYS B 5 32.879 49.657 18.630 0.25 85.56 H new ATOM 0 HZ2ALYS B 5 31.891 49.534 19.536 0.75 85.56 H new ATOM 0 HZ2BLYS B 5 34.142 48.995 18.347 0.25 85.56 H new ATOM 0 HZ3ALYS B 5 31.866 50.310 20.764 0.75 85.56 H new ATOM 0 HZ3BLYS B 5 33.118 48.309 19.117 0.25 85.56 H new ATOM 1973 N AGLN B 6 38.978 51.992 22.080 0.75 26.88 N ANISOU 1973 N AGLN B 6 4333 2542 3337 195 280 -33 N ATOM 1974 N BGLN B 6 38.513 51.933 22.810 0.25 32.99 N ANISOU 1974 N BGLN B 6 5069 3281 4183 143 317 46 N ATOM 1975 CA AGLN B 6 39.586 53.233 22.549 0.75 28.55 C ANISOU 1975 CA AGLN B 6 4331 2999 3519 289 309 11 C ATOM 1976 CA BGLN B 6 39.300 53.173 22.668 0.25 29.28 C ANISOU 1976 CA BGLN B 6 4423 3063 3637 250 309 23 C ATOM 1977 C AGLN B 6 39.239 54.390 21.617 0.75 23.77 C ANISOU 1977 C AGLN B 6 3557 2539 2934 181 236 -19 C ATOM 1978 C BGLN B 6 38.675 54.213 21.747 0.25 26.90 C ANISOU 1978 C BGLN B 6 3966 2881 3373 106 228 -7 C ATOM 1979 O AGLN B 6 39.427 54.305 20.403 0.75 22.85 O ANISOU 1979 O AGLN B 6 3488 2446 2748 198 192 -87 O ATOM 1980 O BGLN B 6 38.192 53.897 20.660 0.25 30.66 O ANISOU 1980 O BGLN B 6 4508 3305 3836 12 153 -80 O ATOM 1981 CB AGLN B 6 41.105 53.067 22.684 0.75 24.40 C ANISOU 1981 CB AGLN B 6 3837 2568 2867 538 361 5 C ATOM 1982 CB BGLN B 6 40.715 52.890 22.162 0.25 29.10 C ANISOU 1982 CB BGLN B 6 4481 3104 3473 470 334 -27 C ATOM 1983 CG AGLN B 6 41.817 54.310 23.214 0.75 29.19 C ANISOU 1983 CG AGLN B 6 4211 3394 3487 594 340 43 C ATOM 1984 CG BGLN B 6 41.637 52.347 23.207 0.25 20.47 C ANISOU 1984 CG BGLN B 6 3448 2020 2311 681 422 28 C ATOM 1985 CD AGLN B 6 43.185 54.043 23.850 0.75 18.59 C ANISOU 1985 CD AGLN B 6 2851 2163 2050 822 376 76 C ATOM 1986 CD BGLN B 6 42.808 53.263 23.487 0.25 33.15 C ANISOU 1986 CD BGLN B 6 4852 3876 3868 815 412 58 C ATOM 1987 OE1AGLN B 6 43.844 54.978 24.303 0.75 20.47 O ANISOU 1987 OE1AGLN B 6 2896 2561 2319 845 314 93 O ATOM 1988 OE1BGLN B 6 42.677 54.486 23.467 0.25 36.52 O ANISOU 1988 OE1BGLN B 6 5077 4423 4377 705 343 61 O ATOM 1989 NE2AGLN B 6 43.611 52.781 23.893 0.75 25.63 N ANISOU 1989 NE2AGLN B 6 3943 2963 2832 991 460 86 N ATOM 1990 NE2BGLN B 6 43.967 52.672 23.747 0.25 29.04 N ANISOU 1990 NE2BGLN B 6 4380 3427 3227 1052 471 92 N ATOM 0 H AGLN B 6 39.067 51.841 21.238 0.75 32.99 H new ATOM 0 H BGLN B 6 38.046 51.895 23.531 0.25 32.99 H new ATOM 0 HA AGLN B 6 39.227 53.441 23.426 0.75 29.28 H new ATOM 0 HA BGLN B 6 39.320 53.540 23.566 0.25 29.28 H new ATOM 0 HB2AGLN B 6 41.289 52.322 23.277 0.75 29.10 H new ATOM 0 HB2BGLN B 6 40.666 52.258 21.427 0.25 29.10 H new ATOM 0 HB3AGLN B 6 41.475 52.838 21.817 0.75 29.10 H new ATOM 0 HB3BGLN B 6 41.091 53.710 21.806 0.25 29.10 H new ATOM 0 HG2AGLN B 6 41.931 54.938 22.484 0.75 20.47 H new ATOM 0 HG2BGLN B 6 41.140 52.203 24.028 0.25 20.47 H new ATOM 0 HG3AGLN B 6 41.247 54.739 23.871 0.75 20.47 H new ATOM 0 HG3BGLN B 6 41.969 51.482 22.921 0.25 20.47 H new ATOM 0 HE21AGLN B 6 43.124 52.152 23.567 0.75 29.04 H new ATOM 0 HE21BGLN B 6 44.020 51.814 23.752 0.25 29.04 H new ATOM 0 HE22AGLN B 6 44.373 52.596 24.247 0.75 29.04 H new ATOM 0 HE22BGLN B 6 44.665 53.147 23.910 0.25 29.04 H new ATOM 2007 N PHE B 7 38.714 55.462 22.203 1.00 17.96 N ANISOU 2007 N PHE B 7 2648 1902 2273 113 231 41 N ATOM 2008 CA PHE B 7 38.223 56.606 21.439 1.00 17.64 C ANISOU 2008 CA PHE B 7 2458 1979 2267 20 182 44 C ATOM 2009 C PHE B 7 38.947 57.887 21.844 1.00 22.63 C ANISOU 2009 C PHE B 7 2948 2723 2926 92 176 72 C ATOM 2010 O PHE B 7 39.233 58.101 23.020 1.00 16.57 O ANISOU 2010 O PHE B 7 2174 1952 2170 166 177 80 O ATOM 2011 CB PHE B 7 36.717 56.789 21.642 1.00 16.43 C ANISOU 2011 CB PHE B 7 2237 1818 2186 -133 168 104 C ATOM 2012 CG PHE B 7 35.888 55.647 21.130 1.00 17.95 C ANISOU 2012 CG PHE B 7 2522 1886 2413 -281 119 85 C ATOM 2013 CD1 PHE B 7 35.581 54.575 21.949 1.00 21.97 C ANISOU 2013 CD1 PHE B 7 3127 2234 2988 -322 158 145 C ATOM 2014 CD2 PHE B 7 35.409 55.649 19.832 1.00 22.98 C ANISOU 2014 CD2 PHE B 7 3151 2558 3023 -379 18 11 C ATOM 2015 CE1 PHE B 7 34.820 53.524 21.481 1.00 26.51 C ANISOU 2015 CE1 PHE B 7 3787 2637 3649 -507 79 131 C ATOM 2016 CE2 PHE B 7 34.647 54.600 19.359 1.00 25.08 C ANISOU 2016 CE2 PHE B 7 3512 2682 3337 -543 -90 -43 C ATOM 2017 CZ PHE B 7 34.353 53.537 20.185 1.00 24.04 C ANISOU 2017 CZ PHE B 7 3473 2342 3318 -632 -68 17 C ATOM 0 H APHE B 7 38.632 55.547 23.055 0.75 17.96 H new ATOM 0 H BPHE B 7 39.030 55.672 22.975 0.25 17.96 H new ATOM 0 HA PHE B 7 38.399 56.427 20.502 1.00 17.64 H new ATOM 0 HB2 PHE B 7 36.540 56.906 22.588 1.00 16.43 H new ATOM 0 HB3 PHE B 7 36.437 57.604 21.198 1.00 16.43 H new ATOM 0 HD1 PHE B 7 35.891 54.563 22.826 1.00 21.97 H new ATOM 0 HD2 PHE B 7 35.603 56.366 19.272 1.00 22.98 H new ATOM 0 HE1 PHE B 7 34.622 52.807 22.040 1.00 26.51 H new ATOM 0 HE2 PHE B 7 34.332 54.611 18.484 1.00 25.08 H new ATOM 0 HZ PHE B 7 33.840 52.829 19.868 1.00 24.04 H new ATOM 2027 N SER B 8 39.234 58.737 20.864 1.00 20.73 N ANISOU 2027 N SER B 8 2602 2574 2703 77 158 89 N ATOM 2028 CA SER B 8 39.754 60.073 21.133 1.00 20.23 C ANISOU 2028 CA SER B 8 2397 2560 2730 83 128 132 C ATOM 2029 C SER B 8 38.591 61.048 21.268 1.00 27.20 C ANISOU 2029 C SER B 8 3235 3435 3663 11 113 158 C ATOM 2030 O SER B 8 37.709 61.087 20.410 1.00 24.12 O ANISOU 2030 O SER B 8 2824 3093 3247 -47 133 186 O ATOM 2031 CB SER B 8 40.701 60.526 20.019 1.00 23.65 C ANISOU 2031 CB SER B 8 2714 3088 3183 116 147 207 C ATOM 2032 OG SER B 8 41.797 59.642 19.886 1.00 26.45 O ANISOU 2032 OG SER B 8 3099 3491 3460 237 180 214 O ATOM 0 H SER B 8 39.134 58.557 20.029 1.00 20.73 H new ATOM 0 HA SER B 8 40.258 60.053 21.961 1.00 20.23 H new ATOM 0 HB2 SER B 8 40.217 60.573 19.180 1.00 23.65 H new ATOM 0 HB3 SER B 8 41.025 61.420 20.211 1.00 23.65 H new ATOM 0 HG SER B 8 42.245 59.642 20.596 1.00 26.45 H new ATOM 2038 N VAL B 9 38.590 61.833 22.342 1.00 16.91 N ANISOU 2038 N VAL B 9 1930 2085 2409 47 66 140 N ATOM 2039 CA VAL B 9 37.514 62.788 22.586 1.00 20.80 C ANISOU 2039 CA VAL B 9 2417 2571 2915 49 65 171 C ATOM 2040 C VAL B 9 38.080 64.193 22.753 1.00 24.43 C ANISOU 2040 C VAL B 9 2846 2952 3486 61 -17 158 C ATOM 2041 O VAL B 9 37.332 65.172 22.745 1.00 21.27 O ANISOU 2041 O VAL B 9 2461 2520 3102 88 -15 189 O ATOM 2042 CB VAL B 9 36.677 62.384 23.818 1.00 19.65 C ANISOU 2042 CB VAL B 9 2356 2425 2687 141 92 170 C ATOM 2043 CG1 VAL B 9 36.049 61.015 23.604 1.00 21.07 C ANISOU 2043 CG1 VAL B 9 2547 2633 2826 73 164 221 C ATOM 2044 CG2 VAL B 9 37.528 62.393 25.080 1.00 17.13 C ANISOU 2044 CG2 VAL B 9 2116 2055 2339 272 23 84 C ATOM 2045 OXT VAL B 9 39.289 64.389 22.896 1.00 22.00 O ANISOU 2045 OXT VAL B 9 2495 2599 3267 40 -95 127 O ATOM 0 H VAL B 9 39.205 61.828 22.943 1.00 16.91 H new ATOM 0 HA VAL B 9 36.925 62.782 21.815 1.00 20.80 H new ATOM 0 HB VAL B 9 35.967 63.035 23.931 1.00 19.65 H new ATOM 0 HG11 VAL B 9 35.526 60.773 24.384 1.00 21.07 H new ATOM 0 HG12 VAL B 9 35.472 61.042 22.825 1.00 21.07 H new ATOM 0 HG13 VAL B 9 36.748 60.356 23.466 1.00 21.07 H new ATOM 0 HG21 VAL B 9 36.983 62.137 25.840 1.00 17.13 H new ATOM 0 HG22 VAL B 9 38.260 61.765 24.981 1.00 17.13 H new ATOM 0 HG23 VAL B 9 37.884 63.284 25.224 1.00 17.13 H new TER 2055 VAL B 9 HETATM 2056 O HOH A 501 40.563 50.019 42.399 1.00 42.17 O HETATM 2057 O HOH A 502 36.306 59.539 18.630 1.00 44.23 O HETATM 2058 O HOH A 503 26.352 67.452 20.270 1.00 48.32 O HETATM 2059 O HOH A 504 50.641 60.835 37.657 1.00 38.57 O HETATM 2060 O HOH A 505 43.653 62.188 22.638 1.00 20.00 O HETATM 2061 O HOH A 506 37.438 48.246 36.230 1.00 37.32 O HETATM 2062 O HOH A 507 45.244 74.930 34.305 1.00 34.49 O HETATM 2063 O HOH A 508 27.512 51.048 23.192 1.00 34.43 O HETATM 2064 O HOH A 509 29.044 48.652 30.064 1.00 41.81 O HETATM 2065 O HOH A 510 25.588 53.890 36.227 1.00 31.52 O HETATM 2066 O HOH A 511 22.624 54.575 21.521 1.00 21.94 O HETATM 2067 O HOH A 512 29.624 79.841 21.673 1.00 32.08 O HETATM 2068 O HOH A 513 24.131 57.260 32.296 1.00 26.98 O HETATM 2069 O HOH A 514 32.217 51.238 37.170 1.00 45.17 O HETATM 2070 O HOH A 515 44.785 67.570 26.340 1.00 14.73 O HETATM 2071 O HOH A 516 35.269 53.249 44.322 1.00 34.59 O HETATM 2072 O HOH A 517 49.201 45.435 32.898 1.00 31.27 O HETATM 2073 O HOH A 518 33.389 55.104 34.159 1.00 16.45 O HETATM 2074 O HOH A 519 29.404 61.776 39.316 1.00 40.84 O HETATM 2075 O HOH A 520 38.342 72.461 37.050 1.00 31.35 O HETATM 2076 O HOH A 521 54.481 47.880 41.522 1.00 22.39 O HETATM 2077 O HOH A 522 36.113 76.402 19.636 1.00 34.05 O HETATM 2078 O HOH A 523 35.970 64.022 46.964 1.00 36.62 O HETATM 2079 O HOH A 524 52.922 54.143 29.481 1.00 38.14 O HETATM 2080 O HOH A 525 48.616 49.637 44.374 1.00 31.11 O HETATM 2081 O HOH A 526 49.038 63.598 48.645 1.00 43.35 O HETATM 2082 O HOH A 527 55.588 44.790 34.215 1.00 38.47 O HETATM 2083 O HOH A 528 40.496 69.287 18.274 1.00 50.75 O HETATM 2084 O HOH A 529 29.191 68.814 39.609 1.00 39.83 O HETATM 2085 O HOH A 530 47.448 57.063 45.403 1.00 32.90 O HETATM 2086 O HOH A 531 56.546 53.954 33.246 1.00 32.25 O HETATM 2087 O HOH A 532 45.493 67.352 33.058 1.00 28.35 O HETATM 2088 O HOH A 533 41.049 60.794 42.562 1.00 15.32 O HETATM 2089 O HOH A 534 51.579 51.062 26.394 1.00 16.35 O HETATM 2090 O HOH A 535 45.355 42.571 31.922 1.00 38.45 O HETATM 2091 O HOH A 536 26.731 64.709 27.011 1.00 33.58 O HETATM 2092 O HOH A 537 30.255 72.542 19.785 1.00 23.36 O HETATM 2093 O HOH A 538 29.135 71.893 32.428 1.00 33.57 O HETATM 2094 O HOH A 539 44.121 73.519 23.711 1.00 28.22 O HETATM 2095 O HOH A 540 26.439 52.768 21.069 1.00 34.02 O HETATM 2096 O HOH A 541 40.068 55.920 43.840 1.00 18.48 O HETATM 2097 O HOH A 542 50.247 51.446 45.663 1.00 39.97 O HETATM 2098 O HOH A 543 50.083 44.990 37.189 1.00 47.99 O HETATM 2099 O HOH A 544 30.020 69.196 22.314 1.00 24.18 O HETATM 2100 O HOH A 545 27.839 72.151 28.534 1.00 44.75 O HETATM 2101 O HOH A 546 44.864 73.985 36.997 1.00 41.68 O HETATM 2102 O HOH A 547 31.539 50.805 32.238 1.00 27.67 O HETATM 2103 O HOH A 548 48.228 74.412 23.388 1.00 41.81 O HETATM 2104 O HOH A 549 43.876 62.722 41.982 1.00 23.12 O HETATM 2105 O HOH A 550 50.354 57.746 37.395 1.00 27.82 O HETATM 2106 O HOH A 551 39.824 69.320 40.127 1.00 26.70 O HETATM 2107 O HOH A 552 29.531 65.441 35.871 1.00 20.44 O HETATM 2108 O HOH A 553 54.981 43.868 25.743 1.00 37.85 O HETATM 2109 O HOH A 554 53.187 48.743 27.205 1.00 28.73 O HETATM 2110 O HOH A 555 27.026 79.188 23.283 1.00 42.98 O HETATM 2111 O HOH A 556 43.506 59.766 48.730 1.00 30.25 O HETATM 2112 O HOH A 557 42.125 55.903 19.764 0.50 33.07 O HETATM 2113 O HOH A 558 50.278 47.019 40.407 1.00 25.06 O HETATM 2114 O HOH A 559 44.489 62.041 39.220 1.00 27.14 O HETATM 2115 O HOH A 560 41.508 67.012 39.799 1.00 29.00 O HETATM 2116 O HOH A 561 50.642 72.300 28.308 1.00 35.11 O HETATM 2117 O HOH A 562 25.821 58.823 25.286 1.00 25.04 O HETATM 2118 O HOH A 563 30.078 73.128 36.392 1.00 41.26 O HETATM 2119 O HOH A 564 52.104 68.932 28.510 1.00 29.74 O HETATM 2120 O HOH A 565 26.679 54.519 33.797 1.00 26.52 O HETATM 2121 O HOH A 566 40.947 74.904 27.009 1.00 40.64 O HETATM 2122 O HOH A 567 49.178 58.612 35.782 1.00 34.30 O HETATM 2123 O HOH A 568 48.935 61.185 32.719 1.00 28.39 O HETATM 2124 O HOH A 569 31.145 50.533 22.967 1.00 31.98 O HETATM 2125 O HOH A 570 23.606 51.420 33.137 1.00 48.62 O HETATM 2126 O HOH A 571 27.600 74.311 24.476 1.00 37.84 O HETATM 2127 O HOH A 572 46.118 58.527 48.213 1.00 51.83 O HETATM 2128 O HOH A 573 34.613 77.139 26.286 1.00 42.06 O HETATM 2129 O HOH A 574 40.952 73.762 30.061 1.00 35.73 O HETATM 2130 O HOH A 575 58.422 53.322 40.770 1.00 46.61 O HETATM 2131 O HOH A 576 51.813 61.463 50.653 1.00 37.82 O HETATM 2132 O HOH A 577 41.398 53.913 45.125 1.00 24.87 O HETATM 2133 O HOH A 578 58.640 50.580 41.520 1.00 62.46 O HETATM 2134 O HOH A 579 49.078 64.715 42.679 1.00 37.78 O HETATM 2135 O HOH A 580 25.330 67.589 28.739 1.00 41.73 O HETATM 2136 O HOH A 581 28.961 58.859 39.025 1.00 36.28 O HETATM 2137 O HOH A 582 45.329 64.789 38.575 1.00 35.49 O HETATM 2138 O HOH A 583 47.870 70.466 20.844 1.00 35.66 O HETATM 2139 O HOH A 584 31.063 71.417 22.160 1.00 32.93 O HETATM 2140 O HOH A 585 26.579 58.143 40.007 1.00 37.56 O HETATM 2141 O HOH A 586 43.733 66.668 39.944 1.00 34.71 O HETATM 2142 O HOH A 587 55.459 46.874 26.279 1.00 36.93 O HETATM 2143 O HOH A 588 51.606 47.514 44.427 1.00 43.85 O HETATM 2144 O HOH A 589 47.032 72.522 37.436 1.00 33.50 O HETATM 2145 O HOH A 590 47.135 66.293 36.854 1.00 41.35 O HETATM 2146 O HOH A 591 45.481 77.071 31.165 1.00 37.79 O HETATM 2147 O HOH A 592 57.207 42.532 26.837 1.00 33.69 O HETATM 2148 O HOH A 593 48.804 53.867 46.685 1.00 46.21 O HETATM 2149 O HOH A 594 33.817 79.015 22.096 1.00 38.32 O HETATM 2150 O HOH A 595 49.324 69.457 37.939 1.00 45.58 O HETATM 2151 O HOH A 596 24.027 68.880 35.676 1.00 51.38 O HETATM 2152 O HOH A 597 40.181 51.481 44.672 1.00 28.60 O HETATM 2153 O HOH A 598 56.470 49.693 43.416 1.00 44.11 O HETATM 2154 O HOH A 599 26.917 69.080 35.970 1.00 43.51 O HETATM 2155 O HOH A 600 28.341 67.095 37.753 1.00 28.12 O HETATM 2156 O HOH A 601 28.759 65.916 43.730 1.00 51.28 O HETATM 2157 O HOH A 602 41.545 47.576 43.024 1.00 42.00 O HETATM 2158 O HOH A 603 55.685 52.877 28.475 1.00 36.57 O HETATM 2159 O HOH A 604 44.447 65.133 42.426 1.00 33.13 O HETATM 2160 O HOH A 605 28.067 69.219 20.117 1.00 35.64 O HETATM 2161 O HOH A 606 30.937 51.602 39.731 1.00 39.30 O HETATM 2162 O HOH A 607 49.696 46.834 43.413 1.00 46.48 O HETATM 2163 O HOH A 608 46.985 66.167 43.236 1.00 41.13 O HETATM 2164 O HOH A 609 41.252 46.163 41.108 1.00 52.77 O HETATM 2165 O HOH A 610 59.658 53.708 43.533 1.00 48.06 O HETATM 2166 O HOH A 611 48.433 66.104 45.260 1.00 44.54 O HETATM 2167 O HOH A 612 29.945 75.536 34.919 1.00 44.93 O HETATM 2168 O HOH A 613 26.576 72.743 22.369 1.00 30.90 O HETATM 2169 O HOH A 614 42.487 67.603 19.563 1.00 40.60 O HETATM 2170 O HOH A 615 24.838 62.048 27.408 1.00 33.34 O HETATM 2171 O HOH A 616 29.724 62.026 42.096 1.00 32.61 O HETATM 2172 O HOH A 617 28.250 64.006 43.211 1.00 51.93 O HETATM 2173 O HOH B 101 36.948 45.641 20.541 1.00 38.71 O HETATM 2174 O HOH B 102 41.136 42.522 25.986 1.00 46.78 O HETATM 2175 O HOH B 103 41.684 63.674 21.579 1.00 21.38 O HETATM 2176 O HOH B 104 38.385 54.761 17.720 1.00 44.39 O HETATM 2177 O HOH B 105 37.710 51.011 18.251 1.00 47.88 O HETATM 2178 O HOH B 106 38.597 57.905 18.017 1.00 41.19 O HETATM 2179 O HOH B 107 38.144 55.903 15.782 0.50 50.40 O END