USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1051 hydrogens (0 hets) HEADER PEPTIDE BINDING PROTEIN 06-JAN-16 5HFD TITLE THE THIRD PDZ DOMAIN FROM THE SYNAPTIC PROTEIN PSD-95 (G330T, H372A TITLE 2 DOUBLE MUTANT) COMPND MOL_ID: 1; COMPND 2 MOLECULE: DISKS LARGE HOMOLOG 4; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: PDZ-3 DOMAIN (UNP RESIDUES 302-402); COMPND 5 SYNONYM: POSTSYNAPTIC DENSITY PROTEIN 95,PSD-95,SYNAPSE-ASSOCIATED COMPND 6 PROTEIN 90,SAP90; COMPND 7 ENGINEERED: YES; COMPND 8 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: RAT; SOURCE 4 ORGANISM_TAXID: 10116; SOURCE 5 GENE: DLG4, DLGH4, PSD95; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PGEX-4T-1 KEYWDS PDZ, GLGF, DHR, ADHESION, SYNAPSE, SYNAPTIC DENSITY, PEPTIDE-BINDING KEYWDS 2 DOMAIN, PEPTIDE BINDING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR K.I.WHITE,A.S.RAMAN,R.RANGANATHAN REVDAT 1 11-JAN-17 5HFD 0 JRNL AUTH K.I.WHITE,A.S.RAMAN,R.RANGANATHAN JRNL TITL THE THIRD PDZ DOMAIN FROM THE SYNAPTIC PROTEIN PSD-95 JRNL TITL 2 (G330T, H372A DOUBLE MUTANT) JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.60 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) : 1.60 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 28.23 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.490 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 3 NUMBER OF REFLECTIONS : 16618 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.183 REMARK 3 R VALUE (WORKING SET) : 0.181 REMARK 3 FREE R VALUE : 0.197 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1662 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 28.2375 - 3.6605 0.99 1382 152 0.1628 0.1590 REMARK 3 2 3.6605 - 2.9064 1.00 1278 144 0.1632 0.1777 REMARK 3 3 2.9064 - 2.5393 1.00 1263 140 0.1825 0.2001 REMARK 3 4 2.5393 - 2.3072 1.00 1255 139 0.1792 0.1897 REMARK 3 5 2.3072 - 2.1419 1.00 1232 136 0.1693 0.2001 REMARK 3 6 2.1419 - 2.0157 1.00 1232 138 0.1792 0.1882 REMARK 3 7 2.0157 - 1.9147 1.00 1235 137 0.1879 0.2124 REMARK 3 8 1.9147 - 1.8314 1.00 1214 135 0.1995 0.2501 REMARK 3 9 1.8314 - 1.7609 1.00 1225 135 0.2137 0.2330 REMARK 3 10 1.7609 - 1.7002 1.00 1228 138 0.2305 0.2489 REMARK 3 11 1.7002 - 1.6470 1.00 1205 134 0.2228 0.2693 REMARK 3 12 1.6470 - 1.5999 0.99 1207 134 0.2462 0.2659 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) : 0.150 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 19.250 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.014 1106 REMARK 3 ANGLE : 1.257 1524 REMARK 3 CHIRALITY : 0.076 165 REMARK 3 PLANARITY : 0.011 220 REMARK 3 DIHEDRAL : 18.622 427 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 10 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 297 THROUGH 304 ) REMARK 3 ORIGIN FOR THE GROUP (A): 60.4521 66.9920 47.7965 REMARK 3 T TENSOR REMARK 3 T11: 0.3887 T22: 0.5708 REMARK 3 T33: 0.5413 T12: -0.0023 REMARK 3 T13: -0.0618 T23: 0.1143 REMARK 3 L TENSOR REMARK 3 L11: 5.9671 L22: 6.3063 REMARK 3 L33: 3.3908 L12: 6.1073 REMARK 3 L13: 4.2037 L23: 4.4248 REMARK 3 S TENSOR REMARK 3 S11: 1.0897 S12: -1.9276 S13: -1.1444 REMARK 3 S21: 0.8829 S22: -0.6885 S23: -0.7448 REMARK 3 S31: 0.4937 S32: 0.1650 S33: -0.3633 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 305 THROUGH 317 ) REMARK 3 ORIGIN FOR THE GROUP (A): 41.2710 64.9922 40.8775 REMARK 3 T TENSOR REMARK 3 T11: 0.1553 T22: 0.1053 REMARK 3 T33: 0.1010 T12: -0.0344 REMARK 3 T13: -0.0148 T23: 0.0059 REMARK 3 L TENSOR REMARK 3 L11: 3.8235 L22: 4.0915 REMARK 3 L33: 3.3740 L12: -0.5078 REMARK 3 L13: -0.6015 L23: -0.8824 REMARK 3 S TENSOR REMARK 3 S11: -0.1428 S12: -0.4246 S13: 0.2134 REMARK 3 S21: 0.3935 S22: 0.1026 S23: -0.0874 REMARK 3 S31: -0.3633 S32: 0.1353 S33: 0.0409 REMARK 3 TLS GROUP : 3 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 318 THROUGH 328 ) REMARK 3 ORIGIN FOR THE GROUP (A): 40.3382 65.3257 22.5442 REMARK 3 T TENSOR REMARK 3 T11: 0.1734 T22: 0.1711 REMARK 3 T33: 0.1298 T12: -0.0406 REMARK 3 T13: -0.0652 T23: 0.0246 REMARK 3 L TENSOR REMARK 3 L11: 1.5355 L22: 5.1844 REMARK 3 L33: 1.2614 L12: -1.0263 REMARK 3 L13: 0.2188 L23: -1.1934 REMARK 3 S TENSOR REMARK 3 S11: -0.0337 S12: 0.4037 S13: 0.0856 REMARK 3 S21: -0.6533 S22: 0.0496 S23: 0.2514 REMARK 3 S31: -0.0863 S32: 0.0600 S33: -0.0507 REMARK 3 TLS GROUP : 4 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 329 THROUGH 341 ) REMARK 3 ORIGIN FOR THE GROUP (A): 37.6817 51.0922 29.8033 REMARK 3 T TENSOR REMARK 3 T11: 0.1709 T22: 0.0485 REMARK 3 T33: 0.3603 T12: -0.0955 REMARK 3 T13: -0.0649 T23: -0.0130 REMARK 3 L TENSOR REMARK 3 L11: 3.0089 L22: 3.0309 REMARK 3 L33: 3.5136 L12: 1.3088 REMARK 3 L13: -0.5507 L23: -0.1330 REMARK 3 S TENSOR REMARK 3 S11: 0.1444 S12: 0.4290 S13: -0.8193 REMARK 3 S21: -0.0863 S22: 0.0165 S23: 0.4553 REMARK 3 S31: 0.8521 S32: -0.2174 S33: 0.2395 REMARK 3 TLS GROUP : 5 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 342 THROUGH 356 ) REMARK 3 ORIGIN FOR THE GROUP (A): 45.9412 66.8123 31.6941 REMARK 3 T TENSOR REMARK 3 T11: 0.0860 T22: 0.0846 REMARK 3 T33: 0.0976 T12: -0.0365 REMARK 3 T13: -0.0159 T23: 0.0065 REMARK 3 L TENSOR REMARK 3 L11: 2.9391 L22: 6.9465 REMARK 3 L33: 5.4695 L12: 1.7444 REMARK 3 L13: -1.1877 L23: -1.3336 REMARK 3 S TENSOR REMARK 3 S11: 0.1505 S12: -0.0389 S13: 0.1576 REMARK 3 S21: 0.3004 S22: -0.2762 S23: 0.0822 REMARK 3 S31: -0.5523 S32: 0.1490 S33: 0.1366 REMARK 3 TLS GROUP : 6 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 357 THROUGH 371 ) REMARK 3 ORIGIN FOR THE GROUP (A): 31.6701 57.9935 33.4400 REMARK 3 T TENSOR REMARK 3 T11: 0.0738 T22: 0.1480 REMARK 3 T33: 0.1848 T12: -0.0570 REMARK 3 T13: -0.0047 T23: 0.0469 REMARK 3 L TENSOR REMARK 3 L11: 2.4392 L22: 1.5708 REMARK 3 L33: 2.5524 L12: -0.2161 REMARK 3 L13: -0.1614 L23: 0.9461 REMARK 3 S TENSOR REMARK 3 S11: -0.0133 S12: 0.1801 S13: 0.1467 REMARK 3 S21: 0.0859 S22: -0.0694 S23: 0.4750 REMARK 3 S31: 0.1918 S32: -0.4190 S33: 0.0626 REMARK 3 TLS GROUP : 7 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 372 THROUGH 380 ) REMARK 3 ORIGIN FOR THE GROUP (A): 31.7535 58.6780 22.8601 REMARK 3 T TENSOR REMARK 3 T11: 0.1182 T22: 0.2647 REMARK 3 T33: 0.1499 T12: -0.0530 REMARK 3 T13: -0.0781 T23: 0.0376 REMARK 3 L TENSOR REMARK 3 L11: 5.2095 L22: 3.2828 REMARK 3 L33: 3.4839 L12: -2.4042 REMARK 3 L13: 0.7983 L23: 0.4088 REMARK 3 S TENSOR REMARK 3 S11: -0.1863 S12: 0.1960 S13: -0.0171 REMARK 3 S21: -0.4471 S22: 0.2346 S23: 0.4476 REMARK 3 S31: -0.2131 S32: -0.2212 S33: 0.0964 REMARK 3 TLS GROUP : 8 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 381 THROUGH 392 ) REMARK 3 ORIGIN FOR THE GROUP (A): 34.4772 66.3485 31.5113 REMARK 3 T TENSOR REMARK 3 T11: 0.1192 T22: 0.1095 REMARK 3 T33: 0.1586 T12: -0.0178 REMARK 3 T13: -0.0473 T23: 0.0618 REMARK 3 L TENSOR REMARK 3 L11: 2.3047 L22: 2.1881 REMARK 3 L33: 2.6304 L12: -1.1819 REMARK 3 L13: 0.8980 L23: -0.4053 REMARK 3 S TENSOR REMARK 3 S11: -0.1777 S12: 0.1130 S13: 0.1575 REMARK 3 S21: -0.0408 S22: 0.1248 S23: 0.2456 REMARK 3 S31: -0.3078 S32: -0.2747 S33: 0.0161 REMARK 3 TLS GROUP : 9 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 393 THROUGH 399 ) REMARK 3 ORIGIN FOR THE GROUP (A): 44.4497 50.2619 37.7524 REMARK 3 T TENSOR REMARK 3 T11: 0.2258 T22: 0.1256 REMARK 3 T33: 0.1445 T12: 0.0119 REMARK 3 T13: 0.0340 T23: 0.0451 REMARK 3 L TENSOR REMARK 3 L11: 2.0645 L22: 2.7063 REMARK 3 L33: 2.2018 L12: -2.2909 REMARK 3 L13: -2.1199 L23: 2.3663 REMARK 3 S TENSOR REMARK 3 S11: -0.5119 S12: -0.2650 S13: -0.2587 REMARK 3 S21: 0.6425 S22: 0.2568 S23: 0.1036 REMARK 3 S31: 0.9774 S32: 0.0215 S33: 0.1989 REMARK 3 TLS GROUP : 10 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 400 THROUGH 415 ) REMARK 3 ORIGIN FOR THE GROUP (A): 53.0859 51.4896 37.6464 REMARK 3 T TENSOR REMARK 3 T11: 0.1759 T22: 0.2208 REMARK 3 T33: 0.1864 T12: 0.0880 REMARK 3 T13: -0.0669 T23: -0.0419 REMARK 3 L TENSOR REMARK 3 L11: 3.2101 L22: 3.7413 REMARK 3 L33: 5.5110 L12: 1.1533 REMARK 3 L13: 1.2051 L23: 0.8189 REMARK 3 S TENSOR REMARK 3 S11: -0.3101 S12: -0.2150 S13: 0.3043 REMARK 3 S21: 0.5455 S22: 0.3265 S23: -0.3582 REMARK 3 S31: 0.2266 S32: 0.4297 S33: 0.1342 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 5HFD 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_1000216947. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 18-FEB-12 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 19-ID REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9793144 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 16618 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.600 REMARK 200 RESOLUTION RANGE LOW (A) : 28.233 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 200 DATA REDUNDANCY : 15.40 REMARK 200 R MERGE (I) : 0.04300 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 63.1920 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.65 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : 15.70 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.111 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHENIX REMARK 200 STARTING MODEL: 1BFE REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 42.60 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.14 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: RESERVOIR SOLUTION CONTAINED 1 M REMARK 280 SODIUM CITRATE, PH 7.0. EQUAL AMOUNTS (1.5 MICROLITERS) OF REMARK 280 PROTEIN (13 MG/ML) AND RESERVOIR SOLUTION WERE MIXED AND REMARK 280 EQUILLIBRATED AGAINST 500 MICROLITERS OF CRYSTALLIZATION BUFFER., REMARK 280 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 289K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 3 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 5555 Z,X,Y REMARK 290 6555 Z+1/2,-X+1/2,-Y REMARK 290 7555 -Z+1/2,-X,Y+1/2 REMARK 290 8555 -Z,X+1/2,-Y+1/2 REMARK 290 9555 Y,Z,X REMARK 290 10555 -Y,Z+1/2,-X+1/2 REMARK 290 11555 Y+1/2,-Z+1/2,-X REMARK 290 12555 -Y+1/2,-Z,X+1/2 REMARK 290 13555 Y+3/4,X+1/4,-Z+1/4 REMARK 290 14555 -Y+3/4,-X+3/4,-Z+3/4 REMARK 290 15555 Y+1/4,-X+1/4,Z+3/4 REMARK 290 16555 -Y+1/4,X+3/4,Z+1/4 REMARK 290 17555 X+3/4,Z+1/4,-Y+1/4 REMARK 290 18555 -X+1/4,Z+3/4,Y+1/4 REMARK 290 19555 -X+3/4,-Z+3/4,-Y+3/4 REMARK 290 20555 X+1/4,-Z+1/4,Y+3/4 REMARK 290 21555 Z+3/4,Y+1/4,-X+1/4 REMARK 290 22555 Z+1/4,-Y+1/4,X+3/4 REMARK 290 23555 -Z+1/4,Y+3/4,X+1/4 REMARK 290 24555 -Z+3/4,-Y+3/4,-X+3/4 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 44.64050 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 44.64050 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 44.64050 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 44.64050 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 44.64050 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 44.64050 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 44.64050 REMARK 290 SMTRY2 6 -1.000000 0.000000 0.000000 44.64050 REMARK 290 SMTRY3 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 7 0.000000 0.000000 -1.000000 44.64050 REMARK 290 SMTRY2 7 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 1.000000 0.000000 44.64050 REMARK 290 SMTRY1 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 8 1.000000 0.000000 0.000000 44.64050 REMARK 290 SMTRY3 8 0.000000 -1.000000 0.000000 44.64050 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 44.64050 REMARK 290 SMTRY3 10 -1.000000 0.000000 0.000000 44.64050 REMARK 290 SMTRY1 11 0.000000 1.000000 0.000000 44.64050 REMARK 290 SMTRY2 11 0.000000 0.000000 -1.000000 44.64050 REMARK 290 SMTRY3 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 12 0.000000 -1.000000 0.000000 44.64050 REMARK 290 SMTRY2 12 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 12 1.000000 0.000000 0.000000 44.64050 REMARK 290 SMTRY1 13 0.000000 1.000000 0.000000 66.96075 REMARK 290 SMTRY2 13 1.000000 0.000000 0.000000 22.32025 REMARK 290 SMTRY3 13 0.000000 0.000000 -1.000000 22.32025 REMARK 290 SMTRY1 14 0.000000 -1.000000 0.000000 66.96075 REMARK 290 SMTRY2 14 -1.000000 0.000000 0.000000 66.96075 REMARK 290 SMTRY3 14 0.000000 0.000000 -1.000000 66.96075 REMARK 290 SMTRY1 15 0.000000 1.000000 0.000000 22.32025 REMARK 290 SMTRY2 15 -1.000000 0.000000 0.000000 22.32025 REMARK 290 SMTRY3 15 0.000000 0.000000 1.000000 66.96075 REMARK 290 SMTRY1 16 0.000000 -1.000000 0.000000 22.32025 REMARK 290 SMTRY2 16 1.000000 0.000000 0.000000 66.96075 REMARK 290 SMTRY3 16 0.000000 0.000000 1.000000 22.32025 REMARK 290 SMTRY1 17 1.000000 0.000000 0.000000 66.96075 REMARK 290 SMTRY2 17 0.000000 0.000000 1.000000 22.32025 REMARK 290 SMTRY3 17 0.000000 -1.000000 0.000000 22.32025 REMARK 290 SMTRY1 18 -1.000000 0.000000 0.000000 22.32025 REMARK 290 SMTRY2 18 0.000000 0.000000 1.000000 66.96075 REMARK 290 SMTRY3 18 0.000000 1.000000 0.000000 22.32025 REMARK 290 SMTRY1 19 -1.000000 0.000000 0.000000 66.96075 REMARK 290 SMTRY2 19 0.000000 0.000000 -1.000000 66.96075 REMARK 290 SMTRY3 19 0.000000 -1.000000 0.000000 66.96075 REMARK 290 SMTRY1 20 1.000000 0.000000 0.000000 22.32025 REMARK 290 SMTRY2 20 0.000000 0.000000 -1.000000 22.32025 REMARK 290 SMTRY3 20 0.000000 1.000000 0.000000 66.96075 REMARK 290 SMTRY1 21 0.000000 0.000000 1.000000 66.96075 REMARK 290 SMTRY2 21 0.000000 1.000000 0.000000 22.32025 REMARK 290 SMTRY3 21 -1.000000 0.000000 0.000000 22.32025 REMARK 290 SMTRY1 22 0.000000 0.000000 1.000000 22.32025 REMARK 290 SMTRY2 22 0.000000 -1.000000 0.000000 22.32025 REMARK 290 SMTRY3 22 1.000000 0.000000 0.000000 66.96075 REMARK 290 SMTRY1 23 0.000000 0.000000 -1.000000 22.32025 REMARK 290 SMTRY2 23 0.000000 1.000000 0.000000 66.96075 REMARK 290 SMTRY3 23 1.000000 0.000000 0.000000 22.32025 REMARK 290 SMTRY1 24 0.000000 0.000000 -1.000000 66.96075 REMARK 290 SMTRY2 24 0.000000 -1.000000 0.000000 66.96075 REMARK 290 SMTRY3 24 -1.000000 0.000000 0.000000 66.96075 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 592 LIES ON A SPECIAL POSITION. REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 GLU A 331 CG CD OE1 OE2 REMARK 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 OE1 GLU A 304 O HOH A 501 1.98 REMARK 500 O HOH A 527 O HOH A 590 2.12 REMARK 500 OE2 GLU A 352 O HOH A 502 2.18 REMARK 500 O HOH A 567 O HOH A 622 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 N GLY A 297 OE2 GLU A 352 20564 1.88 REMARK 500 O HOH A 585 O HOH A 597 10655 2.09 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 THR A 321 -51.41 -127.10 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 322 12.98 REMARK 500 GLU A 334 11.56 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1BFE RELATED DB: PDB REMARK 900 RELATED ID: 5HDY RELATED DB: PDB REMARK 900 RELATED ID: 5HEB RELATED DB: PDB REMARK 900 RELATED ID: 5HED RELATED DB: PDB REMARK 900 RELATED ID: 5HET RELATED DB: PDB REMARK 900 RELATED ID: 5HEY RELATED DB: PDB REMARK 900 RELATED ID: 5HF1 RELATED DB: PDB REMARK 900 RELATED ID: 5HF4 RELATED DB: PDB REMARK 900 RELATED ID: 5HFB RELATED DB: PDB REMARK 900 RELATED ID: 5HFC RELATED DB: PDB REMARK 900 RELATED ID: 5HFE RELATED DB: PDB REMARK 900 RELATED ID: 5HFF RELATED DB: PDB DBREF 5HFD A 302 402 UNP P31016 DLG4_RAT 302 402 SEQADV 5HFD GLY A 297 UNP P31016 EXPRESSION TAG SEQADV 5HFD SER A 298 UNP P31016 EXPRESSION TAG SEQADV 5HFD PRO A 299 UNP P31016 EXPRESSION TAG SEQADV 5HFD GLU A 300 UNP P31016 EXPRESSION TAG SEQADV 5HFD PHE A 301 UNP P31016 EXPRESSION TAG SEQADV 5HFD THR A 330 UNP P31016 GLY 330 ENGINEERED MUTATION SEQADV 5HFD ALA A 372 UNP P31016 HIS 372 ENGINEERED MUTATION SEQADV 5HFD ASN A 403 UNP P31016 EXPRESSION TAG SEQADV 5HFD SER A 404 UNP P31016 EXPRESSION TAG SEQADV 5HFD ARG A 405 UNP P31016 EXPRESSION TAG SEQADV 5HFD VAL A 406 UNP P31016 EXPRESSION TAG SEQADV 5HFD ASP A 407 UNP P31016 EXPRESSION TAG SEQADV 5HFD SER A 408 UNP P31016 EXPRESSION TAG SEQADV 5HFD SER A 409 UNP P31016 EXPRESSION TAG SEQADV 5HFD GLY A 410 UNP P31016 EXPRESSION TAG SEQADV 5HFD ARG A 411 UNP P31016 EXPRESSION TAG SEQADV 5HFD ILE A 412 UNP P31016 EXPRESSION TAG SEQADV 5HFD VAL A 413 UNP P31016 EXPRESSION TAG SEQADV 5HFD THR A 414 UNP P31016 EXPRESSION TAG SEQADV 5HFD ASP A 415 UNP P31016 EXPRESSION TAG SEQRES 1 A 119 GLY SER PRO GLU PHE LEU GLY GLU GLU ASP ILE PRO ARG SEQRES 2 A 119 GLU PRO ARG ARG ILE VAL ILE HIS ARG GLY SER THR GLY SEQRES 3 A 119 LEU GLY PHE ASN ILE VAL GLY THR GLU ASP GLY GLU GLY SEQRES 4 A 119 ILE PHE ILE SER PHE ILE LEU ALA GLY GLY PRO ALA ASP SEQRES 5 A 119 LEU SER GLY GLU LEU ARG LYS GLY ASP GLN ILE LEU SER SEQRES 6 A 119 VAL ASN GLY VAL ASP LEU ARG ASN ALA SER ALA GLU GLN SEQRES 7 A 119 ALA ALA ILE ALA LEU LYS ASN ALA GLY GLN THR VAL THR SEQRES 8 A 119 ILE ILE ALA GLN TYR LYS PRO GLU GLU TYR SER ARG PHE SEQRES 9 A 119 GLU ALA ASN SER ARG VAL ASP SER SER GLY ARG ILE VAL SEQRES 10 A 119 THR ASP FORMUL 2 HOH *127(H2 O) HELIX 1 AA1 PHE A 301 GLU A 305 5 5 HELIX 2 AA2 GLY A 345 GLY A 351 1 7 HELIX 3 AA3 SER A 371 ASN A 381 1 11 HELIX 4 AA4 LYS A 393 ARG A 399 1 7 SHEET 1 AA1 4 ARG A 312 HIS A 317 0 SHEET 2 AA1 4 THR A 385 TYR A 392 -1 O ILE A 388 N ILE A 314 SHEET 3 AA1 4 ASP A 357 VAL A 362 -1 N GLN A 358 O GLN A 391 SHEET 4 AA1 4 VAL A 365 ASP A 366 -1 O VAL A 365 N VAL A 362 SHEET 1 AA2 2 PHE A 325 VAL A 328 0 SHEET 2 AA2 2 PHE A 337 ILE A 341 -1 O PHE A 337 N VAL A 328 SHEET 1 AA3 2 SER A 404 VAL A 406 0 SHEET 2 AA3 2 ILE A 412 THR A 414 -1 O VAL A 413 N ARG A 405 CRYST1 89.281 89.281 89.281 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 0.011201 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011201 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011201 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 404 SER OG B: rot -81:sc= 0.023 USER MOD Set 1.2: A 414 THR OG1 : rot -4:sc= 0.736 USER MOD Set 2.1: A 398 SER OG B: rot 80:sc= 0.392 USER MOD Set 2.2: A 398 SER OG C: rot -110:sc=-0.00824 USER MOD Set 2.3: A 404 SER OG A: rot -85:sc= 0.105 USER MOD Single : A 298 SER OG : rot 20:sc= 0.565! USER MOD Single : A 317 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 320 SER OG A: rot 180:sc= 0 USER MOD Single : A 320 SER OG B: rot 180:sc= 0 USER MOD Single : A 321 THR OG1A: rot 100:sc= 0.0198 USER MOD Single : A 321 THR OG1B: rot 180:sc= 0 USER MOD Single : A 326 ASN A: amide:sc= 0.00548 X(o=0.0055,f=-0.013) USER MOD Single : A 326 ASN B: amide:sc= 0.799 K(o=0.8,f=-3.6!) USER MOD Single : A 330 THR OG1 : rot 138:sc= -0.919! USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD Single : A 350 SER OG A: rot -69:sc= 1.3 USER MOD Single : A 350 SER OG B: rot 120:sc= -0.0151 USER MOD Single : A 355 LYS NZ :NH3+ 174:sc= 1.18 (180deg=1.16) USER MOD Single : A 358 GLN : amide:sc= 0.318 X(o=0.32,f=0.079) USER MOD Single : A 361 SER OG : rot -107:sc= 1.94 USER MOD Single : A 363 ASN : amide:sc= 0.981 K(o=0.98,f=-4.9!) USER MOD Single : A 369 ASN : amide:sc= 2.86 K(o=2.9,f=1.5) USER MOD Single : A 371 SER OG : rot -52:sc= 0.254 USER MOD Single : A 374 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 380 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 380 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 381 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 384 GLN A: amide:sc= -0.106 K(o=-0.11,f=-3.4!) USER MOD Single : A 384 GLN B: amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 385 THR OG1 : rot 180:sc= 0 USER MOD Single : A 387 THR OG1 : rot 90:sc= 2.03 USER MOD Single : A 391 GLN : amide:sc= 0.45 K(o=0.45,f=-0.21) USER MOD Single : A 392 TYR OH : rot -169:sc= 1.97 USER MOD Single : A 393 LYS NZ :NH3+ 178:sc= 0.969 (180deg=0.966) USER MOD Single : A 397 TYR OH : rot -169:sc= 1 USER MOD Single : A 398 SER OG A: rot -59:sc= 1.01 USER MOD Single : A 403 ASN : amide:sc= 0.837 K(o=0.84,f=0.27) USER MOD Single : A 408 SER OG A: rot 180:sc= 0 USER MOD Single : A 408 SER OG B: rot 180:sc= 0.0266 USER MOD Single : A 409 SER OG A: rot -30:sc= 0.23 USER MOD Single : A 409 SER OG B: rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 297 65.512 73.893 51.883 1.00 70.58 N ANISOU 1 N GLY A 297 7339 12118 7359 -1085 -145 -135 N ATOM 2 CA GLY A 297 66.813 73.287 52.102 1.00 87.64 C ANISOU 2 CA GLY A 297 9347 14209 9743 -1035 -509 188 C ATOM 3 C GLY A 297 66.887 71.980 51.357 1.00 74.83 C ANISOU 3 C GLY A 297 7678 12077 8678 -748 -770 455 C ATOM 4 O GLY A 297 67.121 71.965 50.169 1.00 71.48 O ANISOU 4 O GLY A 297 7232 11270 8655 -411 -614 183 O ATOM 0 HA2 GLY A 297 67.514 73.884 51.798 1.00 87.64 H new ATOM 0 HA3 GLY A 297 66.957 73.139 53.050 1.00 87.64 H new ATOM 7 N SER A 298 66.654 70.888 52.067 1.00 63.25 N ANISOU 7 N SER A 298 6212 10612 7206 -945 -1183 977 N ATOM 8 CA SER A 298 66.351 69.615 51.451 1.00 59.55 C ANISOU 8 CA SER A 298 5737 9664 7223 -719 -1435 1242 C ATOM 9 C SER A 298 65.167 69.813 50.532 1.00 46.60 C ANISOU 9 C SER A 298 4262 7856 5589 -551 -993 947 C ATOM 10 O SER A 298 64.195 70.412 50.936 1.00 45.72 O ANISOU 10 O SER A 298 4286 8059 5025 -793 -716 805 O ATOM 11 CB SER A 298 65.923 68.610 52.517 1.00 65.28 C ANISOU 11 CB SER A 298 6565 10505 7734 -1123 -1922 1867 C ATOM 12 OG SER A 298 64.650 68.969 53.049 1.00 70.67 O ANISOU 12 OG SER A 298 7448 11596 7808 -1517 -1602 1827 O ATOM 0 H SER A 298 66.668 70.867 52.927 1.00 63.25 H new ATOM 0 HA SER A 298 67.134 69.292 50.978 1.00 59.55 H new ATOM 0 HB2 SER A 298 65.882 67.720 52.134 1.00 65.28 H new ATOM 0 HB3 SER A 298 66.582 68.582 53.228 1.00 65.28 H new ATOM 0 HG SER A 298 64.256 69.482 52.513 1.00 70.67 H new ATOM 18 N PRO A 299 65.235 69.296 49.316 1.00 44.54 N ANISOU 18 N PRO A 299 3963 7099 5862 -163 -947 815 N ATOM 19 CA PRO A 299 64.139 69.542 48.373 1.00 40.64 C ANISOU 19 CA PRO A 299 3659 6401 5382 -13 -568 535 C ATOM 20 C PRO A 299 62.856 68.789 48.715 1.00 41.26 C ANISOU 20 C PRO A 299 3866 6483 5329 -162 -635 831 C ATOM 21 O PRO A 299 62.898 67.650 49.185 1.00 44.38 O ANISOU 21 O PRO A 299 4218 6793 5849 -257 -1036 1308 O ATOM 22 CB PRO A 299 64.711 69.056 47.040 1.00 39.25 C ANISOU 22 CB PRO A 299 3395 5725 5794 355 -542 347 C ATOM 23 CG PRO A 299 65.681 67.999 47.420 1.00 57.30 C ANISOU 23 CG PRO A 299 5401 7872 8498 427 -1024 660 C ATOM 24 CD PRO A 299 66.280 68.437 48.728 1.00 46.20 C ANISOU 24 CD PRO A 299 3927 6898 6728 136 -1254 861 C ATOM 0 HA PRO A 299 63.872 70.474 48.377 1.00 40.64 H new ATOM 0 HB2 PRO A 299 64.015 68.706 46.463 1.00 39.25 H new ATOM 0 HB3 PRO A 299 65.144 69.777 46.557 1.00 39.25 H new ATOM 0 HG2 PRO A 299 65.240 67.140 47.510 1.00 57.30 H new ATOM 0 HG3 PRO A 299 66.366 67.896 46.741 1.00 57.30 H new ATOM 0 HD2 PRO A 299 66.483 67.680 49.299 1.00 46.20 H new ATOM 0 HD3 PRO A 299 67.109 68.923 48.596 1.00 46.20 H new ATOM 32 N GLU A 300 61.726 69.439 48.462 1.00 38.74 N ANISOU 32 N GLU A 300 3697 6233 4791 -198 -285 521 N ATOM 33 CA GLU A 300 60.412 68.871 48.723 1.00 39.27 C ANISOU 33 CA GLU A 300 3855 6346 4719 -361 -256 660 C ATOM 34 C GLU A 300 59.790 68.359 47.424 1.00 36.22 C ANISOU 34 C GLU A 300 3572 5420 4771 0 -162 572 C ATOM 35 O GLU A 300 59.225 69.133 46.654 1.00 33.23 O ANISOU 35 O GLU A 300 3304 4872 4449 155 110 149 O ATOM 36 CB GLU A 300 59.518 69.924 49.372 1.00 39.37 C ANISOU 36 CB GLU A 300 3879 6807 4274 -655 51 266 C ATOM 37 CG GLU A 300 58.120 69.461 49.703 1.00 40.53 C ANISOU 37 CG GLU A 300 4055 7093 4250 -894 153 261 C ATOM 38 CD GLU A 300 57.429 70.407 50.662 1.00 42.53 C ANISOU 38 CD GLU A 300 4196 7928 4034 -1309 424 -180 C ATOM 39 OE1 GLU A 300 58.009 70.694 51.731 1.00 45.56 O ANISOU 39 OE1 GLU A 300 4508 8804 3999 -1699 369 -79 O ATOM 40 OE2 GLU A 300 56.317 70.874 50.344 1.00 41.46 O ANISOU 40 OE2 GLU A 300 4017 7749 3987 -1252 675 -674 O ATOM 0 H GLU A 300 61.702 70.232 48.130 1.00 38.74 H new ATOM 0 HA GLU A 300 60.502 68.121 49.331 1.00 39.27 H new ATOM 0 HB2 GLU A 300 59.944 70.231 50.188 1.00 39.37 H new ATOM 0 HB3 GLU A 300 59.458 70.688 48.778 1.00 39.37 H new ATOM 0 HG2 GLU A 300 57.600 69.391 48.887 1.00 40.53 H new ATOM 0 HG3 GLU A 300 58.157 68.574 50.093 1.00 40.53 H new ATOM 47 N PHE A 301 59.896 67.055 47.189 1.00 37.42 N ANISOU 47 N PHE A 301 3697 5269 5250 114 -445 975 N ATOM 48 CA PHE A 301 59.430 66.460 45.940 1.00 34.84 C ANISOU 48 CA PHE A 301 3449 4425 5365 449 -372 910 C ATOM 49 C PHE A 301 57.932 66.169 45.965 1.00 34.16 C ANISOU 49 C PHE A 301 3495 4339 5144 350 -247 927 C ATOM 50 O PHE A 301 57.412 65.620 46.932 1.00 37.06 O ANISOU 50 O PHE A 301 3859 4993 5227 17 -390 1235 O ATOM 51 CB PHE A 301 60.207 65.172 45.649 1.00 36.84 C ANISOU 51 CB PHE A 301 3556 4320 6121 642 -748 1258 C ATOM 52 CG PHE A 301 61.667 65.399 45.387 1.00 37.68 C ANISOU 52 CG PHE A 301 3453 4353 6512 797 -837 1089 C ATOM 53 CD1 PHE A 301 62.084 65.969 44.199 1.00 34.97 C ANISOU 53 CD1 PHE A 301 3115 3795 6378 1008 -523 617 C ATOM 54 CD2 PHE A 301 62.621 65.051 46.330 1.00 41.73 C ANISOU 54 CD2 PHE A 301 3773 5016 7068 672 -1258 1383 C ATOM 55 CE1 PHE A 301 63.424 66.190 43.951 1.00 36.24 C ANISOU 55 CE1 PHE A 301 3048 3945 6776 1085 -548 375 C ATOM 56 CE2 PHE A 301 63.964 65.265 46.086 1.00 48.54 C ANISOU 56 CE2 PHE A 301 4382 5812 8250 825 -1336 1149 C ATOM 57 CZ PHE A 301 64.366 65.837 44.896 1.00 40.11 C ANISOU 57 CZ PHE A 301 3277 4584 7378 1028 -942 612 C ATOM 0 H PHE A 301 60.237 66.494 47.744 1.00 37.42 H new ATOM 0 HA PHE A 301 59.591 67.106 45.234 1.00 34.84 H new ATOM 0 HB2 PHE A 301 60.111 64.568 46.402 1.00 36.84 H new ATOM 0 HB3 PHE A 301 59.813 64.732 44.880 1.00 36.84 H new ATOM 0 HD1 PHE A 301 61.453 66.207 43.558 1.00 34.97 H new ATOM 0 HD2 PHE A 301 62.355 64.670 47.135 1.00 41.73 H new ATOM 0 HE1 PHE A 301 63.692 66.576 43.148 1.00 36.24 H new ATOM 0 HE2 PHE A 301 64.597 65.024 46.723 1.00 48.54 H new ATOM 0 HZ PHE A 301 65.269 65.984 44.731 1.00 40.11 H new ATOM 67 N LEU A 302 57.240 66.539 44.892 1.00 30.78 N ANISOU 67 N LEU A 302 3199 3590 4907 586 -1 583 N ATOM 68 CA LEU A 302 55.819 66.235 44.776 1.00 30.13 C ANISOU 68 CA LEU A 302 3206 3438 4803 549 105 536 C ATOM 69 C LEU A 302 55.623 64.726 44.703 1.00 31.45 C ANISOU 69 C LEU A 302 3372 3381 5197 586 -136 1021 C ATOM 70 O LEU A 302 54.630 64.197 45.197 1.00 32.89 O ANISOU 70 O LEU A 302 3582 3709 5203 366 -146 1173 O ATOM 71 CB LEU A 302 55.205 66.906 43.545 1.00 26.61 C ANISOU 71 CB LEU A 302 2929 2587 4595 811 305 103 C ATOM 72 CG LEU A 302 55.321 68.430 43.442 1.00 25.53 C ANISOU 72 CG LEU A 302 2852 2527 4322 790 441 -388 C ATOM 73 CD1 LEU A 302 54.184 68.974 42.584 1.00 57.12 C ANISOU 73 CD1 LEU A 302 7043 6190 8469 903 484 -743 C ATOM 74 CD2 LEU A 302 55.332 69.101 44.810 1.00 54.59 C ANISOU 74 CD2 LEU A 302 6350 6805 7585 473 495 -513 C ATOM 0 H LEU A 302 57.573 66.965 44.223 1.00 30.78 H new ATOM 0 HA LEU A 302 55.367 66.584 45.560 1.00 30.13 H new ATOM 0 HB2 LEU A 302 55.617 66.520 42.756 1.00 26.61 H new ATOM 0 HB3 LEU A 302 54.264 66.674 43.515 1.00 26.61 H new ATOM 0 HG LEU A 302 56.171 68.636 43.022 1.00 25.53 H new ATOM 0 HD11 LEU A 302 54.260 69.939 42.520 1.00 57.12 H new ATOM 0 HD12 LEU A 302 54.235 68.587 41.696 1.00 57.12 H new ATOM 0 HD13 LEU A 302 53.333 68.743 42.989 1.00 57.12 H new ATOM 0 HD21 LEU A 302 55.406 70.062 44.699 1.00 54.59 H new ATOM 0 HD22 LEU A 302 54.509 68.893 45.279 1.00 54.59 H new ATOM 0 HD23 LEU A 302 56.088 68.776 45.324 1.00 54.59 H new ATOM 86 N GLY A 303 56.585 64.042 44.091 1.00 31.45 N ANISOU 86 N GLY A 303 3312 3029 5607 839 -338 1214 N ATOM 87 CA GLY A 303 56.522 62.600 43.924 1.00 36.84 C ANISOU 87 CA GLY A 303 3988 3452 6557 894 -616 1573 C ATOM 88 C GLY A 303 56.456 61.831 45.229 1.00 37.53 C ANISOU 88 C GLY A 303 4030 3773 6459 551 -1025 2165 C ATOM 89 O GLY A 303 56.072 60.660 45.249 1.00 42.09 O ANISOU 89 O GLY A 303 4681 4217 7095 467 -1216 2368 O ATOM 0 H GLY A 303 57.292 64.404 43.762 1.00 31.45 H new ATOM 0 HA2 GLY A 303 55.743 62.379 43.389 1.00 36.84 H new ATOM 0 HA3 GLY A 303 57.301 62.307 43.425 1.00 36.84 H new ATOM 93 N GLU A 304 56.791 62.480 46.313 1.00 39.73 N ANISOU 93 N GLU A 304 4279 4539 6276 199 -1053 2191 N ATOM 94 CA GLU A 304 56.755 61.851 47.614 1.00 46.12 C ANISOU 94 CA GLU A 304 5139 5671 6715 -312 -1440 2705 C ATOM 95 C GLU A 304 55.480 62.222 48.383 1.00 45.77 C ANISOU 95 C GLU A 304 5207 6153 6032 -822 -1137 2583 C ATOM 96 O GLU A 304 55.343 62.030 49.556 1.00 54.40 O ANISOU 96 O GLU A 304 6370 7690 6609 -1419 -1314 2872 O ATOM 97 CB GLU A 304 58.008 62.234 48.401 1.00 47.54 C ANISOU 97 CB GLU A 304 5212 6081 6772 -468 -1716 2835 C ATOM 98 CG GLU A 304 59.291 61.739 47.785 1.00 47.98 C ANISOU 98 CG GLU A 304 5072 5647 7510 -30 -2075 2909 C ATOM 99 CD GLU A 304 60.529 62.255 48.478 1.00 79.45 C ANISOU 99 CD GLU A 304 8914 9852 11420 -137 -2304 2931 C ATOM 100 OE1 GLU A 304 60.447 63.177 49.294 1.00 75.37 O ANISOU 100 OE1 GLU A 304 8462 9866 10308 -493 -2097 2829 O ATOM 101 OE2 GLU A 304 61.607 61.735 48.170 1.00 72.67 O ANISOU 101 OE2 GLU A 304 7865 8628 11117 134 -2626 2922 O ATOM 0 H GLU A 304 57.047 63.301 46.322 1.00 39.73 H new ATOM 0 HA GLU A 304 56.741 60.889 47.494 1.00 46.12 H new ATOM 0 HB2 GLU A 304 58.048 63.200 48.478 1.00 47.54 H new ATOM 0 HB3 GLU A 304 57.934 61.881 49.301 1.00 47.54 H new ATOM 0 HG2 GLU A 304 59.298 60.769 47.805 1.00 47.98 H new ATOM 0 HG3 GLU A 304 59.317 62.004 46.852 1.00 47.98 H new ATOM 108 N GLU A 305 54.519 62.775 47.664 1.00 31.04 N ANISOU 108 N GLU A 305 3014 5197 3582 -502 -1773 242 N ATOM 109 CA GLU A 305 53.234 63.154 48.213 1.00 38.15 C ANISOU 109 CA GLU A 305 4203 6044 4247 -477 -1743 126 C ATOM 110 C GLU A 305 52.152 62.352 47.537 1.00 27.86 C ANISOU 110 C GLU A 305 2987 4651 2946 -387 -1515 269 C ATOM 111 O GLU A 305 52.215 62.100 46.373 1.00 24.78 O ANISOU 111 O GLU A 305 2482 4172 2760 -425 -1379 355 O ATOM 112 CB GLU A 305 52.947 64.611 47.957 1.00 45.88 C ANISOU 112 CB GLU A 305 5281 6886 5264 -655 -1748 -107 C ATOM 113 CG GLU A 305 53.591 65.492 48.972 1.00 51.47 C ANISOU 113 CG GLU A 305 5998 7684 5873 -729 -1971 -308 C ATOM 114 CD GLU A 305 53.634 66.926 48.570 1.00 50.20 C ANISOU 114 CD GLU A 305 5869 7364 5839 -929 -1962 -516 C ATOM 115 OE1 GLU A 305 52.768 67.419 47.836 1.00 47.90 O ANISOU 115 OE1 GLU A 305 5707 6881 5613 -972 -1790 -549 O ATOM 116 OE2 GLU A 305 54.573 67.552 49.037 1.00 44.75 O ANISOU 116 OE2 GLU A 305 5072 6744 5187 -1040 -2138 -642 O ATOM 0 H GLU A 305 54.598 62.944 46.824 1.00 31.04 H new ATOM 0 HA GLU A 305 53.254 62.988 49.169 1.00 38.15 H new ATOM 0 HB2 GLU A 305 53.264 64.852 47.073 1.00 45.88 H new ATOM 0 HB3 GLU A 305 51.988 64.757 47.964 1.00 45.88 H new ATOM 0 HG2 GLU A 305 53.110 65.413 49.811 1.00 51.47 H new ATOM 0 HG3 GLU A 305 54.496 65.181 49.133 1.00 51.47 H new ATOM 123 N ASP A 306 51.151 61.984 48.292 1.00 26.02 N ANISOU 123 N ASP A 306 2961 4443 2480 -266 -1470 285 N ATOM 124 CA ASP A 306 50.140 61.142 47.748 1.00 23.45 C ANISOU 124 CA ASP A 306 2699 4045 2164 -176 -1256 429 C ATOM 125 C ASP A 306 49.318 61.889 46.716 1.00 20.99 C ANISOU 125 C ASP A 306 2456 3575 1944 -303 -1141 330 C ATOM 126 O ASP A 306 48.999 63.018 46.875 1.00 21.29 O ANISOU 126 O ASP A 306 2616 3547 1927 -400 -1185 141 O ATOM 127 CB ASP A 306 49.267 60.579 48.848 1.00 34.60 C ANISOU 127 CB ASP A 306 4314 5511 3323 -19 -1200 485 C ATOM 128 CG ASP A 306 50.035 59.695 49.796 1.00 65.40 C ANISOU 128 CG ASP A 306 8169 9535 7147 111 -1302 624 C ATOM 129 OD1 ASP A 306 51.127 59.219 49.441 1.00 52.73 O ANISOU 129 OD1 ASP A 306 6347 7972 5714 121 -1365 723 O ATOM 130 OD2 ASP A 306 49.528 59.467 50.878 1.00 59.96 O ANISOU 130 OD2 ASP A 306 7662 8892 6229 202 -1304 648 O ATOM 0 H ASP A 306 51.042 62.210 49.114 1.00 26.02 H new ATOM 0 HA ASP A 306 50.568 60.396 47.299 1.00 23.45 H new ATOM 0 HB2 ASP A 306 48.866 61.309 49.344 1.00 34.60 H new ATOM 0 HB3 ASP A 306 48.541 60.071 48.453 1.00 34.60 H new ATOM 135 N ILE A 307 48.941 61.213 45.660 1.00 18.70 N ANISOU 135 N ILE A 307 2111 3175 1818 -268 -952 442 N ATOM 136 CA ILE A 307 48.013 61.774 44.720 1.00 16.86 C ANISOU 136 CA ILE A 307 1976 2754 1675 -332 -793 347 C ATOM 137 C ILE A 307 46.626 61.609 45.287 1.00 15.97 C ANISOU 137 C ILE A 307 2055 2612 1402 -234 -677 334 C ATOM 138 O ILE A 307 46.272 60.553 45.682 1.00 16.01 O ANISOU 138 O ILE A 307 2071 2661 1350 -112 -594 473 O ATOM 139 CB ILE A 307 48.125 61.085 43.391 1.00 15.00 C ANISOU 139 CB ILE A 307 1631 2414 1654 -322 -632 443 C ATOM 140 CG1 ILE A 307 49.446 61.417 42.786 1.00 18.44 C ANISOU 140 CG1 ILE A 307 1872 2879 2255 -419 -706 452 C ATOM 141 CG2 ILE A 307 47.034 61.521 42.467 1.00 13.72 C ANISOU 141 CG2 ILE A 307 1580 2088 1543 -364 -487 370 C ATOM 142 CD1 ILE A 307 49.916 60.447 41.750 1.00 25.52 C ANISOU 142 CD1 ILE A 307 2636 3734 3325 -355 -554 576 C ATOM 0 H ILE A 307 49.214 60.420 45.468 1.00 18.70 H new ATOM 0 HA ILE A 307 48.208 62.713 44.577 1.00 16.86 H new ATOM 0 HB ILE A 307 48.045 60.128 43.527 1.00 15.00 H new ATOM 0 HG12 ILE A 307 49.393 62.299 42.386 1.00 18.44 H new ATOM 0 HG13 ILE A 307 50.109 61.465 43.492 1.00 18.44 H new ATOM 0 HG21 ILE A 307 47.127 61.063 41.617 1.00 13.72 H new ATOM 0 HG22 ILE A 307 46.173 61.304 42.858 1.00 13.72 H new ATOM 0 HG23 ILE A 307 47.093 62.479 42.326 1.00 13.72 H new ATOM 0 HD11 ILE A 307 50.777 60.732 41.407 1.00 25.52 H new ATOM 0 HD12 ILE A 307 50.002 59.566 42.147 1.00 25.52 H new ATOM 0 HD13 ILE A 307 49.274 60.413 41.023 1.00 25.52 H new ATOM 154 N PRO A 308 45.861 62.673 45.343 1.00 15.43 N ANISOU 154 N PRO A 308 2126 2461 1275 -285 -658 179 N ATOM 155 CA PRO A 308 44.509 62.588 45.902 1.00 15.21 C ANISOU 155 CA PRO A 308 2253 2417 1109 -180 -523 172 C ATOM 156 C PRO A 308 43.671 61.517 45.214 1.00 13.52 C ANISOU 156 C PRO A 308 1991 2131 1017 -114 -330 319 C ATOM 157 O PRO A 308 43.670 61.422 43.986 1.00 12.03 O ANISOU 157 O PRO A 308 1724 1831 1017 -175 -276 330 O ATOM 158 CB PRO A 308 43.941 63.987 45.656 1.00 16.01 C ANISOU 158 CB PRO A 308 2467 2390 1225 -247 -515 -14 C ATOM 159 CG PRO A 308 45.135 64.864 45.631 1.00 18.10 C ANISOU 159 CG PRO A 308 2695 2651 1530 -390 -708 -131 C ATOM 160 CD PRO A 308 46.218 64.061 44.999 1.00 15.87 C ANISOU 160 CD PRO A 308 2206 2427 1398 -433 -755 8 C ATOM 0 HA PRO A 308 44.508 62.334 46.838 1.00 15.21 H new ATOM 0 HB2 PRO A 308 43.453 64.029 44.819 1.00 16.01 H new ATOM 0 HB3 PRO A 308 43.324 64.248 46.358 1.00 16.01 H new ATOM 0 HG2 PRO A 308 44.962 65.673 45.125 1.00 18.10 H new ATOM 0 HG3 PRO A 308 45.384 65.138 46.528 1.00 18.10 H new ATOM 0 HD2 PRO A 308 46.248 64.195 44.039 1.00 15.87 H new ATOM 0 HD3 PRO A 308 47.091 64.302 45.347 1.00 15.87 H new ATOM 168 N AARG A 309 42.969 60.724 46.021 0.54 14.08 N ANISOU 168 N AARG A 309 2117 2265 969 2 -229 428 N ATOM 169 N BARG A 309 42.996 60.719 46.026 0.46 14.07 N ANISOU 169 N BARG A 309 2118 2261 967 -1 -229 421 N ATOM 170 CA AARG A 309 42.180 59.596 45.534 0.54 13.09 C ANISOU 170 CA AARG A 309 1942 2062 970 44 -57 573 C ATOM 171 CA BARG A 309 42.181 59.636 45.503 0.46 13.06 C ANISOU 171 CA BARG A 309 1940 2057 967 39 -63 562 C ATOM 172 C AARG A 309 40.688 59.917 45.470 0.54 12.67 C ANISOU 172 C AARG A 309 1942 1945 927 62 93 541 C ATOM 173 C BARG A 309 40.668 59.903 45.538 0.46 12.81 C ANISOU 173 C BARG A 309 1965 1972 928 70 95 547 C ATOM 174 O AARG A 309 39.897 59.108 44.984 0.54 12.05 O ANISOU 174 O AARG A 309 1807 1792 981 61 221 637 O ATOM 175 O BARG A 309 39.872 59.076 45.122 0.46 12.17 O ANISOU 175 O BARG A 309 1827 1815 980 67 219 639 O ATOM 176 CB AARG A 309 42.391 58.370 46.433 0.54 14.45 C ANISOU 176 CB AARG A 309 2114 2324 1054 154 -19 766 C ATOM 177 CB BARG A 309 42.567 58.341 46.206 0.46 14.25 C ANISOU 177 CB BARG A 309 2065 2288 1062 136 -46 754 C ATOM 178 CG AARG A 309 43.821 57.854 46.489 0.54 15.22 C ANISOU 178 CG AARG A 309 2119 2490 1175 174 -155 845 C ATOM 179 CG BARG A 309 43.894 57.829 45.672 0.46 13.99 C ANISOU 179 CG BARG A 309 1904 2231 1183 118 -117 818 C ATOM 180 CD AARG A 309 44.343 57.438 45.115 0.54 13.81 C ANISOU 180 CD AARG A 309 1815 2180 1251 111 -128 848 C ATOM 181 CD BARG A 309 44.418 56.650 46.435 0.46 15.65 C ANISOU 181 CD BARG A 309 2095 2494 1356 229 -118 967 C ATOM 182 NE AARG A 309 45.639 56.755 45.201 0.54 16.96 N ANISOU 182 NE AARG A 309 2099 2641 1704 172 -210 963 N ATOM 183 NE BARG A 309 45.697 56.210 45.898 0.46 22.90 N ANISOU 183 NE BARG A 309 2892 3349 2461 259 -105 1063 N ATOM 184 CZ AARG A 309 45.831 55.442 45.066 0.54 18.92 C ANISOU 184 CZ AARG A 309 2303 2807 2080 259 -108 1094 C ATOM 185 CZ BARG A 309 45.850 55.136 45.140 0.46 31.36 C ANISOU 185 CZ BARG A 309 3842 4497 3576 253 -236 1080 C ATOM 186 NH1AARG A 309 44.820 54.612 44.820 0.54 14.92 N ANISOU 186 NH1AARG A 309 1856 2146 1666 262 61 1098 N ATOM 187 NH1BARG A 309 44.805 54.403 44.792 0.46 42.87 N ANISOU 187 NH1BARG A 309 5276 6073 4937 171 -409 959 N ATOM 188 NH2AARG A 309 47.059 54.951 45.170 0.54 32.33 N ANISOU 188 NH2AARG A 309 3881 4566 3836 332 -182 1187 N ATOM 189 NH2BARG A 309 47.060 54.802 44.728 0.46 25.63 N ANISOU 189 NH2BARG A 309 3012 3705 3020 319 -180 1180 N ATOM 0 H AARG A 309 42.938 60.827 46.874 0.54 14.07 H new ATOM 0 H BARG A 309 42.996 60.787 46.883 0.46 14.07 H new ATOM 0 HA AARG A 309 42.487 59.407 44.633 0.54 13.06 H new ATOM 0 HA BARG A 309 42.372 59.559 44.555 0.46 13.06 H new ATOM 0 HB2AARG A 309 42.106 58.593 47.333 0.54 14.25 H new ATOM 0 HB2BARG A 309 42.632 58.491 47.162 0.46 14.25 H new ATOM 0 HB3AARG A 309 41.815 57.654 46.122 0.54 14.25 H new ATOM 0 HB3BARG A 309 41.877 57.673 46.070 0.46 14.25 H new ATOM 0 HG2AARG A 309 44.397 58.543 46.856 0.54 13.99 H new ATOM 0 HG2BARG A 309 43.788 57.583 44.740 0.46 13.99 H new ATOM 0 HG3AARG A 309 43.865 57.096 47.092 0.54 13.99 H new ATOM 0 HG3BARG A 309 44.548 58.545 45.704 0.46 13.99 H new ATOM 0 HD2AARG A 309 43.698 56.852 44.689 0.54 15.65 H new ATOM 0 HD2BARG A 309 44.519 56.885 47.371 0.46 15.65 H new ATOM 0 HD3AARG A 309 44.429 58.223 44.552 0.54 15.65 H new ATOM 0 HD3BARG A 309 43.778 55.922 46.393 0.46 15.65 H new ATOM 0 HE AARG A 309 46.332 57.242 45.351 0.54 22.90 H new ATOM 0 HE BARG A 309 46.395 56.676 46.084 0.46 22.90 H new ATOM 0 HH11AARG A 309 44.020 54.919 44.744 0.54 42.87 H new ATOM 0 HH11BARG A 309 44.018 54.623 45.059 0.46 42.87 H new ATOM 0 HH12AARG A 309 44.967 53.769 44.737 0.54 42.87 H new ATOM 0 HH12BARG A 309 44.913 53.707 44.299 0.46 42.87 H new ATOM 0 HH21AARG A 309 47.721 55.478 45.323 0.54 25.63 H new ATOM 0 HH21BARG A 309 47.738 55.281 44.953 0.46 25.63 H new ATOM 0 HH22AARG A 309 47.193 54.106 45.084 0.54 25.63 H new ATOM 0 HH22BARG A 309 47.169 54.106 44.235 0.46 25.63 H new ATOM 216 N AGLU A 310 40.292 61.093 45.964 0.54 14.66 N ANISOU 216 N AGLU A 310 2294 2219 1056 79 76 403 N ATOM 217 N BGLU A 310 40.312 61.096 45.989 0.46 14.01 N ANISOU 217 N BGLU A 310 2214 2140 969 80 74 403 N ATOM 218 CA AGLU A 310 38.912 61.567 45.995 0.54 13.50 C ANISOU 218 CA AGLU A 310 2182 2025 921 128 223 371 C ATOM 219 CA BGLU A 310 38.936 61.593 46.005 0.46 13.51 C ANISOU 219 CA BGLU A 310 2186 2028 920 127 219 367 C ATOM 220 C AGLU A 310 38.416 62.069 44.652 0.54 11.97 C ANISOU 220 C AGLU A 310 1914 1695 939 53 228 318 C ATOM 221 C BGLU A 310 38.423 62.065 44.642 0.46 11.96 C ANISOU 221 C BGLU A 310 1912 1693 939 52 228 318 C ATOM 222 O AGLU A 310 39.197 62.500 43.886 0.54 11.16 O ANISOU 222 O AGLU A 310 1794 1535 910 -33 115 253 O ATOM 223 O BGLU A 310 39.197 62.498 43.873 0.46 11.14 O ANISOU 223 O BGLU A 310 1791 1532 910 -34 115 253 O ATOM 224 CB AGLU A 310 38.701 62.646 47.034 0.54 29.28 C ANISOU 224 CB AGLU A 310 4338 4081 2707 204 223 231 C ATOM 225 CB BGLU A 310 38.833 62.758 46.959 0.46 27.30 C ANISOU 225 CB BGLU A 310 4089 3822 2463 190 198 212 C ATOM 226 CG AGLU A 310 39.887 63.502 47.393 0.54 37.03 C ANISOU 226 CG AGLU A 310 5413 5088 3567 145 21 70 C ATOM 227 CG BGLU A 310 39.355 62.471 48.357 0.46 37.14 C ANISOU 227 CG BGLU A 310 5449 5235 3426 267 156 231 C ATOM 228 CD AGLU A 310 40.871 62.801 48.292 0.54 39.84 C ANISOU 228 CD AGLU A 310 5787 5610 3741 165 -95 142 C ATOM 229 CD BGLU A 310 40.857 62.527 48.563 0.46 41.15 C ANISOU 229 CD BGLU A 310 5960 5818 3857 194 -81 184 C ATOM 230 OE1AGLU A 310 42.013 62.728 47.919 0.54 37.60 O ANISOU 230 OE1AGLU A 310 5421 5337 3528 73 -261 138 O ATOM 231 OE1BGLU A 310 41.615 62.973 47.740 0.46 41.42 O ANISOU 231 OE1BGLU A 310 5921 5772 4045 75 -211 108 O ATOM 232 OE2AGLU A 310 40.499 62.318 49.371 0.54 42.69 O ANISOU 232 OE2AGLU A 310 6232 6099 3890 280 -15 221 O ATOM 233 OE2BGLU A 310 41.284 62.071 49.619 0.46 41.40 O ANISOU 233 OE2BGLU A 310 6045 6000 3683 253 -134 244 O ATOM 0 H AGLU A 310 40.845 61.657 46.303 0.54 14.01 H new ATOM 0 H BGLU A 310 40.879 61.660 46.305 0.46 14.01 H new ATOM 0 HA AGLU A 310 38.391 60.785 46.234 0.54 13.51 H new ATOM 0 HA BGLU A 310 38.390 60.840 46.279 0.46 13.51 H new ATOM 0 HB2AGLU A 310 37.993 63.230 46.720 0.54 27.30 H new ATOM 0 HB2BGLU A 310 39.324 63.509 46.590 0.46 27.30 H new ATOM 0 HB3AGLU A 310 38.380 62.222 47.845 0.54 27.30 H new ATOM 0 HB3BGLU A 310 37.904 63.030 47.022 0.46 27.30 H new ATOM 0 HG2AGLU A 310 40.339 63.777 46.580 0.54 37.14 H new ATOM 0 HG2BGLU A 310 38.944 63.104 48.967 0.46 37.14 H new ATOM 0 HG3AGLU A 310 39.575 64.310 47.831 0.54 37.14 H new ATOM 0 HG3BGLU A 310 39.049 61.588 48.616 0.46 37.14 H new ATOM 246 N PRO A 311 37.116 61.994 44.392 1.00 12.95 N ANISOU 246 N PRO A 311 1983 1783 1156 91 361 364 N ATOM 247 CA PRO A 311 36.630 62.526 43.112 1.00 12.02 C ANISOU 247 CA PRO A 311 1795 1559 1212 32 333 326 C ATOM 248 C PRO A 311 36.843 64.029 42.960 1.00 12.17 C ANISOU 248 C PRO A 311 1907 1508 1209 40 263 183 C ATOM 249 O PRO A 311 36.742 64.777 43.943 1.00 13.56 O ANISOU 249 O PRO A 311 2198 1701 1253 123 295 92 O ATOM 250 CB PRO A 311 35.133 62.205 43.137 1.00 12.51 C ANISOU 250 CB PRO A 311 1757 1632 1366 89 479 413 C ATOM 251 CG PRO A 311 34.996 61.076 44.094 1.00 16.36 C ANISOU 251 CG PRO A 311 2232 2199 1787 125 592 536 C ATOM 252 CD PRO A 311 36.058 61.281 45.129 1.00 15.94 C ANISOU 252 CD PRO A 311 2325 2222 1510 174 537 488 C ATOM 0 HA PRO A 311 37.110 62.135 42.366 1.00 12.02 H new ATOM 0 HB2 PRO A 311 34.614 62.973 43.423 1.00 12.51 H new ATOM 0 HB3 PRO A 311 34.812 61.959 42.255 1.00 12.51 H new ATOM 0 HG2 PRO A 311 34.114 61.068 44.498 1.00 16.36 H new ATOM 0 HG3 PRO A 311 35.109 60.224 43.644 1.00 16.36 H new ATOM 0 HD2 PRO A 311 35.731 61.802 45.879 1.00 15.94 H new ATOM 0 HD3 PRO A 311 36.377 60.438 45.487 1.00 15.94 H new ATOM 260 N ARG A 312 37.113 64.456 41.726 1.00 10.55 N ANISOU 260 N ARG A 312 1668 1213 1126 -43 181 165 N ATOM 261 CA ARG A 312 37.278 65.870 41.405 1.00 10.99 C ANISOU 261 CA ARG A 312 1808 1159 1208 -47 126 65 C ATOM 262 C ARG A 312 36.427 66.253 40.211 1.00 10.64 C ANISOU 262 C ARG A 312 1696 1041 1306 -39 135 122 C ATOM 263 O ARG A 312 36.126 65.417 39.364 1.00 9.79 O ANISOU 263 O ARG A 312 1483 970 1267 -86 125 210 O ATOM 264 CB ARG A 312 38.737 66.201 41.081 1.00 12.78 C ANISOU 264 CB ARG A 312 2073 1350 1432 -170 1 10 C ATOM 265 CG ARG A 312 39.753 65.729 42.104 1.00 11.67 C ANISOU 265 CG ARG A 312 1958 1312 1164 -195 -60 -24 C ATOM 266 CD ARG A 312 40.547 64.543 41.592 1.00 10.90 C ANISOU 266 CD ARG A 312 1748 1281 1112 -257 -88 79 C ATOM 267 NE ARG A 312 41.166 64.810 40.294 1.00 9.47 N ANISOU 267 NE ARG A 312 1516 1027 1055 -358 -127 94 N ATOM 268 CZ ARG A 312 41.582 63.866 39.461 1.00 8.59 C ANISOU 268 CZ ARG A 312 1319 938 1008 -393 -106 175 C ATOM 269 NH1 ARG A 312 41.442 62.583 39.776 1.00 8.44 N ANISOU 269 NH1 ARG A 312 1254 981 972 -343 -56 247 N ATOM 270 NH2 ARG A 312 42.133 64.209 38.307 1.00 9.10 N ANISOU 270 NH2 ARG A 312 1359 948 1152 -471 -116 186 N ATOM 0 H ARG A 312 37.205 63.931 41.051 1.00 10.55 H new ATOM 0 HA ARG A 312 36.999 66.371 42.187 1.00 10.99 H new ATOM 0 HB2 ARG A 312 38.959 65.809 40.222 1.00 12.78 H new ATOM 0 HB3 ARG A 312 38.821 67.162 40.984 1.00 12.78 H new ATOM 0 HG2 ARG A 312 40.358 66.456 42.320 1.00 11.67 H new ATOM 0 HG3 ARG A 312 39.298 65.485 42.925 1.00 11.67 H new ATOM 0 HD2 ARG A 312 41.236 64.315 42.236 1.00 10.90 H new ATOM 0 HD3 ARG A 312 39.962 63.773 41.517 1.00 10.90 H new ATOM 0 HE ARG A 312 41.266 65.630 40.056 1.00 9.47 H new ATOM 0 HH11 ARG A 312 41.080 62.361 40.524 1.00 8.44 H new ATOM 0 HH12 ARG A 312 41.713 61.975 39.232 1.00 8.44 H new ATOM 0 HH21 ARG A 312 42.219 65.040 38.102 1.00 9.10 H new ATOM 0 HH22 ARG A 312 42.405 63.601 37.763 1.00 9.10 H new ATOM 284 N ARG A 313 36.082 67.534 40.138 1.00 11.35 N ANISOU 284 N ARG A 313 1860 1019 1435 23 141 67 N ATOM 285 CA ARG A 313 35.425 68.099 38.967 1.00 11.79 C ANISOU 285 CA ARG A 313 1867 998 1615 45 120 140 C ATOM 286 C ARG A 313 36.445 68.867 38.149 1.00 12.65 C ANISOU 286 C ARG A 313 2057 993 1757 -58 31 126 C ATOM 287 O ARG A 313 37.188 69.693 38.687 1.00 13.26 O ANISOU 287 O ARG A 313 2254 970 1816 -90 12 23 O ATOM 288 CB ARG A 313 34.275 69.026 39.367 1.00 13.07 C ANISOU 288 CB ARG A 313 2043 1091 1833 216 210 130 C ATOM 289 CG ARG A 313 33.545 69.632 38.167 1.00 15.92 C ANISOU 289 CG ARG A 313 2338 1386 2327 267 170 240 C ATOM 290 CD ARG A 313 32.461 70.617 38.571 1.00 19.88 C ANISOU 290 CD ARG A 313 2841 1799 2913 470 271 243 C ATOM 291 NE ARG A 313 31.494 70.025 39.488 1.00 22.34 N ANISOU 291 NE ARG A 313 3040 2233 3214 583 404 252 N ATOM 292 CZ ARG A 313 31.533 70.150 40.813 1.00 48.62 C ANISOU 292 CZ ARG A 313 6473 5564 6437 664 534 135 C ATOM 293 NH1 ARG A 313 32.487 70.865 41.399 1.00 31.46 N ANISOU 293 NH1 ARG A 313 4520 3272 4160 634 514 -27 N ATOM 294 NH2 ARG A 313 30.605 69.563 41.557 1.00 61.36 N ANISOU 294 NH2 ARG A 313 7969 7304 8042 769 683 181 N ATOM 0 H ARG A 313 36.223 68.101 40.769 1.00 11.35 H new ATOM 0 HA ARG A 313 35.053 67.374 38.441 1.00 11.79 H new ATOM 0 HB2 ARG A 313 33.640 68.530 39.908 1.00 13.07 H new ATOM 0 HB3 ARG A 313 34.622 69.742 39.922 1.00 13.07 H new ATOM 0 HG2 ARG A 313 34.188 70.081 37.596 1.00 15.92 H new ATOM 0 HG3 ARG A 313 33.149 68.919 37.642 1.00 15.92 H new ATOM 0 HD2 ARG A 313 32.869 71.391 38.989 1.00 19.88 H new ATOM 0 HD3 ARG A 313 32.001 70.933 37.778 1.00 19.88 H new ATOM 0 HE ARG A 313 30.853 69.562 39.149 1.00 22.34 H new ATOM 0 HH11 ARG A 313 33.088 71.253 40.922 1.00 31.46 H new ATOM 0 HH12 ARG A 313 32.504 70.940 42.256 1.00 31.46 H new ATOM 0 HH21 ARG A 313 29.981 69.104 41.183 1.00 61.36 H new ATOM 0 HH22 ARG A 313 30.627 69.642 42.413 1.00 61.36 H new ATOM 308 N ILE A 314 36.471 68.587 36.850 1.00 11.69 N ANISOU 308 N ILE A 314 1876 889 1679 -120 -20 227 N ATOM 309 CA ILE A 314 37.387 69.244 35.931 1.00 11.80 C ANISOU 309 CA ILE A 314 1953 810 1719 -215 -71 256 C ATOM 310 C ILE A 314 36.593 69.765 34.739 1.00 13.96 C ANISOU 310 C ILE A 314 2214 1044 2045 -158 -96 381 C ATOM 311 O ILE A 314 35.797 69.036 34.152 1.00 12.98 O ANISOU 311 O ILE A 314 1994 1033 1906 -132 -126 450 O ATOM 312 CB ILE A 314 38.506 68.290 35.451 1.00 12.07 C ANISOU 312 CB ILE A 314 1938 945 1703 -339 -91 264 C ATOM 313 CG1 ILE A 314 39.299 67.718 36.625 1.00 14.32 C ANISOU 313 CG1 ILE A 314 2222 1279 1939 -383 -93 179 C ATOM 314 CG2 ILE A 314 39.458 69.008 34.509 1.00 14.83 C ANISOU 314 CG2 ILE A 314 2280 1279 2075 -381 -79 280 C ATOM 315 CD1 ILE A 314 38.794 66.363 37.094 1.00 15.13 C ANISOU 315 CD1 ILE A 314 2246 1508 1993 -340 -60 194 C ATOM 0 H ILE A 314 35.955 68.008 36.478 1.00 11.69 H new ATOM 0 HA ILE A 314 37.819 69.978 36.396 1.00 11.80 H new ATOM 0 HB ILE A 314 38.074 67.559 34.982 1.00 12.07 H new ATOM 0 HG12 ILE A 314 40.231 67.637 36.368 1.00 14.32 H new ATOM 0 HG13 ILE A 314 39.263 68.343 37.366 1.00 14.32 H new ATOM 0 HG21 ILE A 314 40.151 68.394 34.220 1.00 14.83 H new ATOM 0 HG22 ILE A 314 38.968 69.329 33.736 1.00 14.83 H new ATOM 0 HG23 ILE A 314 39.864 69.759 34.969 1.00 14.83 H new ATOM 0 HD11 ILE A 314 39.336 66.055 37.837 1.00 15.13 H new ATOM 0 HD12 ILE A 314 37.870 66.443 37.379 1.00 15.13 H new ATOM 0 HD13 ILE A 314 38.853 65.725 36.365 1.00 15.13 H new ATOM 327 N VAL A 315 36.818 71.025 34.380 1.00 13.11 N ANISOU 327 N VAL A 315 2201 780 2001 -145 -93 413 N ATOM 328 CA VAL A 315 36.212 71.596 33.184 1.00 14.11 C ANISOU 328 CA VAL A 315 2319 894 2147 -76 -111 550 C ATOM 329 C VAL A 315 37.270 71.702 32.093 1.00 16.64 C ANISOU 329 C VAL A 315 2649 1266 2407 -176 -90 583 C ATOM 330 O VAL A 315 38.340 72.297 32.293 1.00 18.07 O ANISOU 330 O VAL A 315 2857 1374 2633 -248 -36 531 O ATOM 331 CB VAL A 315 35.573 72.962 33.474 1.00 18.28 C ANISOU 331 CB VAL A 315 2930 1230 2787 63 -74 576 C ATOM 332 CG1 VAL A 315 35.068 73.611 32.183 1.00 23.86 C ANISOU 332 CG1 VAL A 315 3651 1936 3481 136 -105 734 C ATOM 333 CG2 VAL A 315 34.439 72.806 34.467 1.00 18.80 C ANISOU 333 CG2 VAL A 315 2933 1299 2912 217 -43 532 C ATOM 0 H VAL A 315 37.321 71.568 34.818 1.00 13.11 H new ATOM 0 HA VAL A 315 35.498 71.013 32.882 1.00 14.11 H new ATOM 0 HB VAL A 315 36.249 73.542 33.859 1.00 18.28 H new ATOM 0 HG11 VAL A 315 34.669 74.471 32.388 1.00 23.86 H new ATOM 0 HG12 VAL A 315 35.811 73.737 31.572 1.00 23.86 H new ATOM 0 HG13 VAL A 315 34.404 73.037 31.770 1.00 23.86 H new ATOM 0 HG21 VAL A 315 34.042 73.673 34.644 1.00 18.80 H new ATOM 0 HG22 VAL A 315 33.766 72.212 34.099 1.00 18.80 H new ATOM 0 HG23 VAL A 315 34.782 72.433 35.294 1.00 18.80 H new ATOM 343 N AILE A 316 36.970 71.155 30.950 0.54 13.32 N ANISOU 343 N AILE A 316 2198 964 1899 -177 -138 672 N ATOM 344 N BILE A 316 36.986 71.158 30.938 0.46 13.32 N ANISOU 344 N BILE A 316 2199 965 1899 -178 -137 672 N ATOM 345 CA AILE A 316 37.849 71.136 29.820 0.54 13.63 C ANISOU 345 CA AILE A 316 2260 1056 1863 -240 -106 717 C ATOM 346 CA BILE A 316 37.888 71.158 29.830 0.46 13.64 C ANISOU 346 CA BILE A 316 2262 1054 1866 -242 -103 715 C ATOM 347 C AILE A 316 37.214 71.935 28.703 0.54 15.44 C ANISOU 347 C AILE A 316 2550 1259 2056 -158 -133 873 C ATOM 348 C BILE A 316 37.216 71.959 28.728 0.46 15.44 C ANISOU 348 C BILE A 316 2551 1256 2061 -157 -131 872 C ATOM 349 O AILE A 316 36.075 71.792 28.456 0.54 15.93 O ANISOU 349 O AILE A 316 2584 1374 2096 -77 -228 939 O ATOM 350 O BILE A 316 36.098 71.763 28.453 0.46 16.69 O ANISOU 350 O BILE A 316 2679 1473 2190 -80 -228 937 O ATOM 351 CB AILE A 316 38.044 69.723 29.274 0.54 12.56 C ANISOU 351 CB AILE A 316 2079 1084 1609 -304 -141 684 C ATOM 352 CB BILE A 316 38.123 69.754 29.282 0.46 20.12 C ANISOU 352 CB BILE A 316 3037 2037 2569 -307 -135 681 C ATOM 353 CG1AILE A 316 38.608 68.806 30.314 0.54 25.06 C ANISOU 353 CG1AILE A 316 3598 2705 3217 -356 -113 551 C ATOM 354 CG1BILE A 316 38.748 68.853 30.304 0.46 21.84 C ANISOU 354 CG1BILE A 316 3193 2295 2812 -360 -104 548 C ATOM 355 CG2AILE A 316 38.986 69.732 28.118 0.54 22.10 C ANISOU 355 CG2AILE A 316 3328 2334 2736 -347 -82 733 C ATOM 356 CG2BILE A 316 39.032 69.787 28.092 0.46 18.36 C ANISOU 356 CG2BILE A 316 2857 1856 2264 -347 -77 736 C ATOM 357 CD1AILE A 316 39.842 69.363 30.916 0.54 17.80 C ANISOU 357 CD1AILE A 316 2670 1724 2370 -394 -39 493 C ATOM 358 CD1BILE A 316 38.806 67.456 29.762 0.46 17.10 C ANISOU 358 CD1BILE A 316 2568 1814 2116 -405 -126 519 C ATOM 0 H AILE A 316 36.217 70.767 30.802 0.54 13.32 H new ATOM 0 H BILE A 316 36.238 70.766 30.774 0.46 13.32 H new ATOM 0 HA AILE A 316 38.702 71.497 30.108 0.54 13.64 H new ATOM 0 HA BILE A 316 38.740 71.522 30.116 0.46 13.64 H new ATOM 0 HB AILE A 316 37.169 69.407 28.999 0.54 20.12 H new ATOM 0 HB BILE A 316 37.250 69.411 29.034 0.46 20.12 H new ATOM 0 HG12AILE A 316 37.947 68.656 31.008 0.54 21.84 H new ATOM 0 HG12BILE A 316 39.641 69.164 30.522 0.46 21.84 H new ATOM 0 HG13AILE A 316 38.802 67.943 29.916 0.54 21.84 H new ATOM 0 HG13BILE A 316 38.232 68.871 31.125 0.46 21.84 H new ATOM 0 HG21AILE A 316 39.098 68.828 27.784 0.54 18.36 H new ATOM 0 HG21BILE A 316 39.166 68.885 27.762 0.46 18.36 H new ATOM 0 HG22AILE A 316 38.628 70.294 27.413 0.54 18.36 H new ATOM 0 HG22BILE A 316 38.633 70.330 27.394 0.46 18.36 H new ATOM 0 HG23AILE A 316 39.845 70.080 28.403 0.54 18.36 H new ATOM 0 HG23BILE A 316 39.887 70.168 28.348 0.46 18.36 H new ATOM 0 HD11AILE A 316 40.183 68.748 31.584 0.54 17.10 H new ATOM 0 HD11BILE A 316 39.210 66.870 30.421 0.46 17.10 H new ATOM 0 HD12AILE A 316 40.510 69.491 30.225 0.54 17.10 H new ATOM 0 HD12BILE A 316 37.908 67.148 29.563 0.46 17.10 H new ATOM 0 HD13AILE A 316 39.642 70.215 31.334 0.54 17.10 H new ATOM 0 HD13BILE A 316 39.338 67.445 28.951 0.46 17.10 H new ATOM 381 N HIS A 317 38.006 72.750 28.036 1.00 16.67 N ANISOU 381 N HIS A 317 2775 1344 2215 -178 -48 942 N ATOM 382 CA HIS A 317 37.554 73.517 26.911 1.00 18.73 C ANISOU 382 CA HIS A 317 3121 1581 2415 -93 -57 1107 C ATOM 383 C HIS A 317 38.049 72.928 25.588 1.00 19.21 C ANISOU 383 C HIS A 317 3206 1788 2305 -132 -48 1178 C ATOM 384 O HIS A 317 39.219 72.829 25.351 1.00 19.13 O ANISOU 384 O HIS A 317 3197 1777 2293 -212 61 1163 O ATOM 385 CB HIS A 317 37.966 74.969 27.072 1.00 20.46 C ANISOU 385 CB HIS A 317 3452 1577 2746 -76 46 1155 C ATOM 386 CG HIS A 317 37.524 75.569 28.359 1.00 32.38 C ANISOU 386 CG HIS A 317 4972 2934 4396 -37 40 1056 C ATOM 387 ND1 HIS A 317 36.237 75.969 28.579 1.00 21.36 N ANISOU 387 ND1 HIS A 317 3610 1482 3024 108 -48 1100 N ATOM 388 CD2 HIS A 317 38.193 75.831 29.495 1.00 22.52 C ANISOU 388 CD2 HIS A 317 3697 1586 3272 -114 101 914 C ATOM 389 CE1 HIS A 317 36.128 76.432 29.799 1.00 26.12 C ANISOU 389 CE1 HIS A 317 4239 1946 3741 122 -35 977 C ATOM 390 NE2 HIS A 317 37.299 76.352 30.376 1.00 33.83 N ANISOU 390 NE2 HIS A 317 5187 2900 4767 -14 67 859 N ATOM 0 H AHIS A 317 38.835 72.872 28.232 0.54 16.67 H new ATOM 0 H BHIS A 317 38.841 72.856 28.215 0.46 16.67 H new ATOM 0 HA HIS A 317 36.585 73.477 26.884 1.00 18.73 H new ATOM 0 HB2 HIS A 317 38.932 75.033 27.008 1.00 20.46 H new ATOM 0 HB3 HIS A 317 37.598 75.486 26.338 1.00 20.46 H new ATOM 0 HD2 HIS A 317 39.098 75.683 29.649 1.00 22.52 H new ATOM 0 HE1 HIS A 317 35.351 76.762 30.189 1.00 26.12 H new ATOM 0 HE2 HIS A 317 37.475 76.591 31.183 1.00 33.83 H new ATOM 398 N ARG A 318 37.108 72.537 24.750 1.00 15.31 N ANISOU 398 N ARG A 318 2011 1576 2230 -260 -833 728 N ATOM 399 CA ARG A 318 37.440 71.850 23.510 1.00 15.28 C ANISOU 399 CA ARG A 318 2052 1673 2079 -327 -895 721 C ATOM 400 C ARG A 318 38.313 72.719 22.620 1.00 16.07 C ANISOU 400 C ARG A 318 2272 1792 2042 -394 -883 791 C ATOM 401 O ARG A 318 38.057 73.915 22.462 1.00 19.58 O ANISOU 401 O ARG A 318 2755 2160 2525 -389 -921 887 O ATOM 402 CB ARG A 318 36.169 71.449 22.756 1.00 19.24 C ANISOU 402 CB ARG A 318 2518 2158 2632 -302 -1049 756 C ATOM 403 CG ARG A 318 36.423 70.533 21.559 1.00 16.89 C ANISOU 403 CG ARG A 318 2312 1944 2162 -350 -1117 707 C ATOM 404 CD ARG A 318 35.126 70.106 20.863 1.00 18.19 C ANISOU 404 CD ARG A 318 2446 2060 2407 -330 -1257 696 C ATOM 405 NE ARG A 318 34.233 69.420 21.793 1.00 19.07 N ANISOU 405 NE ARG A 318 2382 2115 2747 -289 -1247 668 N ATOM 406 CZ ARG A 318 34.291 68.120 22.074 1.00 18.83 C ANISOU 406 CZ ARG A 318 2304 2112 2739 -291 -1225 584 C ATOM 407 NH1 ARG A 318 35.186 67.340 21.484 1.00 18.79 N ANISOU 407 NH1 ARG A 318 2413 2192 2536 -329 -1220 505 N ATOM 408 NH2 ARG A 318 33.445 67.605 22.952 1.00 17.90 N ANISOU 408 NH2 ARG A 318 2026 1928 2846 -249 -1186 585 N ATOM 0 H ARG A 318 36.266 72.659 24.878 1.00 15.31 H new ATOM 0 HA ARG A 318 37.935 71.049 23.742 1.00 15.28 H new ATOM 0 HB2 ARG A 318 35.566 71.003 23.371 1.00 19.24 H new ATOM 0 HB3 ARG A 318 35.719 72.251 22.448 1.00 19.24 H new ATOM 0 HG2 ARG A 318 36.994 70.989 20.921 1.00 16.89 H new ATOM 0 HG3 ARG A 318 36.903 69.744 21.855 1.00 16.89 H new ATOM 0 HD2 ARG A 318 34.680 70.886 20.497 1.00 18.19 H new ATOM 0 HD3 ARG A 318 35.333 69.521 20.117 1.00 18.19 H new ATOM 0 HE ARG A 318 33.628 69.888 22.186 1.00 19.07 H new ATOM 0 HH11 ARG A 318 35.737 67.673 20.913 1.00 18.79 H new ATOM 0 HH12 ARG A 318 35.216 66.501 21.672 1.00 18.79 H new ATOM 0 HH21 ARG A 318 32.864 68.109 23.336 1.00 17.90 H new ATOM 0 HH22 ARG A 318 33.477 66.766 23.139 1.00 17.90 H new ATOM 422 N AGLY A 319 39.336 72.101 22.042 0.57 15.13 N ANISOU 422 N AGLY A 319 2208 1765 1776 -447 -812 755 N ATOM 423 N BGLY A 319 39.277 72.101 21.999 0.43 17.50 N ANISOU 423 N BGLY A 319 2510 2065 2075 -445 -820 758 N ATOM 424 CA AGLY A 319 40.204 72.763 21.090 0.57 16.39 C ANISOU 424 CA AGLY A 319 2478 1944 1806 -501 -756 842 C ATOM 425 CA BGLY A 319 40.129 72.756 21.053 0.43 16.26 C ANISOU 425 CA BGLY A 319 2464 1927 1787 -498 -765 844 C ATOM 426 C AGLY A 319 39.637 72.649 19.694 0.57 21.39 C ANISOU 426 C AGLY A 319 3253 2602 2271 -490 -863 902 C ATOM 427 C BGLY A 319 39.640 72.565 19.648 0.43 18.35 C ANISOU 427 C BGLY A 319 2874 2223 1877 -489 -864 897 C ATOM 428 O AGLY A 319 38.498 72.229 19.517 0.57 26.83 O ANISOU 428 O AGLY A 319 3921 3273 2999 -446 -1003 862 O ATOM 429 O BGLY A 319 38.531 72.255 19.484 0.43 26.31 O ANISOU 429 O BGLY A 319 3860 3208 2927 -448 -1000 865 O ATOM 0 H AGLY A 319 39.544 71.281 22.195 0.57 17.50 H new ATOM 0 H BGLY A 319 39.460 71.269 22.117 0.43 17.50 H new ATOM 0 HA2AGLY A 319 40.304 73.698 21.330 0.57 16.26 H new ATOM 0 HA2BGLY A 319 40.171 73.704 21.256 0.43 16.26 H new ATOM 0 HA3AGLY A 319 41.089 72.366 21.120 0.57 16.26 H new ATOM 0 HA3BGLY A 319 41.031 72.408 21.133 0.43 16.26 H new ATOM 436 N ASER A 320 40.454 72.927 18.709 0.57 18.93 N ANISOU 436 N ASER A 320 3079 2323 1791 -519 -774 976 N ATOM 437 N BSER A 320 40.489 72.761 18.664 0.43 18.92 N ANISOU 437 N BSER A 320 3083 2332 1773 -517 -769 963 N ATOM 438 CA ASER A 320 40.027 72.801 17.356 0.57 20.68 C ANISOU 438 CA ASER A 320 3462 2561 1833 -476 -835 984 C ATOM 439 CA BSER A 320 40.129 72.606 17.272 0.43 20.71 C ANISOU 439 CA BSER A 320 3483 2579 1808 -475 -823 973 C ATOM 440 C ASER A 320 39.825 71.344 17.037 0.57 36.72 C ANISOU 440 C ASER A 320 5546 4651 3754 -450 -887 865 C ATOM 441 C BSER A 320 39.475 71.305 16.887 0.43 31.63 C ANISOU 441 C BSER A 320 4910 3995 3113 -437 -940 853 C ATOM 442 O ASER A 320 39.005 71.024 16.227 0.57 21.88 O ANISOU 442 O ASER A 320 3753 2753 1806 -407 -1023 826 O ATOM 443 O BSER A 320 38.694 71.313 16.002 0.43 22.37 O ANISOU 443 O BSER A 320 3831 2794 1874 -397 -1069 846 O ATOM 444 CB ASER A 320 41.008 73.469 16.399 0.57 22.31 C ANISOU 444 CB ASER A 320 3811 2778 1887 -482 -673 1094 C ATOM 445 CB BSER A 320 41.313 72.828 16.359 0.43 35.71 C ANISOU 445 CB BSER A 320 5529 4515 3524 -483 -630 1054 C ATOM 446 OG ASER A 320 42.273 72.900 16.441 0.57 22.15 O ANISOU 446 OG ASER A 320 3801 2816 1798 -516 -469 1098 O ATOM 447 OG BSER A 320 41.784 74.087 16.536 0.43 27.40 O ANISOU 447 OG BSER A 320 4430 3407 2574 -517 -544 1170 O ATOM 0 H ASER A 320 41.266 73.192 18.810 0.57 18.92 H new ATOM 0 H BSER A 320 41.308 72.993 18.787 0.43 18.92 H new ATOM 0 HA ASER A 320 39.182 73.262 17.241 0.57 20.71 H new ATOM 0 HA BSER A 320 39.455 73.294 17.156 0.43 20.71 H new ATOM 0 HB2ASER A 320 40.662 73.411 15.495 0.57 35.71 H new ATOM 0 HB2BSER A 320 42.009 72.181 16.552 0.43 35.71 H new ATOM 0 HB3ASER A 320 41.075 74.412 16.617 0.57 35.71 H new ATOM 0 HB3BSER A 320 41.051 72.696 15.434 0.43 35.71 H new ATOM 0 HG ASER A 320 42.777 73.297 15.899 0.57 27.40 H new ATOM 0 HG BSER A 320 42.443 74.213 16.031 0.43 27.40 H new ATOM 458 N ATHR A 321 40.550 70.490 17.751 0.57 39.45 N ANISOU 458 N ATHR A 321 5819 5051 4117 -478 -782 799 N ATOM 459 N BTHR A 321 39.773 70.200 17.547 0.43 26.78 N ANISOU 459 N BTHR A 321 4224 3428 2524 -452 -906 759 N ATOM 460 CA ATHR A 321 40.650 69.056 17.475 0.57 38.00 C ANISOU 460 CA ATHR A 321 5692 4922 3824 -455 -779 675 C ATOM 461 CA BTHR A 321 38.949 68.999 17.336 0.43 19.75 C ANISOU 461 CA BTHR A 321 3332 2534 1638 -417 -1043 636 C ATOM 462 C ATHR A 321 40.256 68.067 18.607 0.57 32.85 C ANISOU 462 C ATHR A 321 4848 4275 3359 -450 -818 548 C ATOM 463 C BTHR A 321 38.433 68.415 18.600 0.43 22.59 C ANISOU 463 C BTHR A 321 3481 2878 2224 -422 -1084 569 C ATOM 464 O ATHR A 321 40.748 66.957 18.637 0.57 31.17 O ANISOU 464 O ATHR A 321 4642 4108 3093 -440 -740 450 O ATOM 465 O BTHR A 321 37.244 68.128 18.733 0.43 18.23 O ANISOU 465 O BTHR A 321 2834 2262 1832 -396 -1215 538 O ATOM 466 CB ATHR A 321 42.102 68.684 17.062 0.57 19.84 C ANISOU 466 CB ATHR A 321 3469 2686 1382 -454 -520 676 C ATOM 467 CB BTHR A 321 39.666 67.921 16.533 0.43 29.06 C ANISOU 467 CB BTHR A 321 4682 3771 2588 -397 -963 557 C ATOM 468 OG1ATHR A 321 43.039 69.136 18.047 0.57 18.65 O ANISOU 468 OG1ATHR A 321 3124 2540 1422 -496 -354 702 O ATOM 469 OG1BTHR A 321 39.928 68.408 15.237 0.43 22.77 O ANISOU 469 OG1BTHR A 321 4100 2973 1580 -359 -925 618 O ATOM 470 CG2ATHR A 321 42.463 69.250 15.704 0.57 22.14 C ANISOU 470 CG2ATHR A 321 4004 2974 1436 -425 -444 787 C ATOM 471 CG2BTHR A 321 38.805 66.670 16.372 0.43 20.94 C ANISOU 471 CG2BTHR A 321 3641 2712 1605 -369 -1116 427 C ATOM 0 H ATHR A 321 41.014 70.735 18.433 0.57 26.78 H new ATOM 0 H BTHR A 321 40.422 70.114 18.105 0.43 26.78 H new ATOM 0 HA ATHR A 321 39.990 68.944 16.773 0.57 19.75 H new ATOM 0 HA BTHR A 321 38.192 69.315 16.818 0.43 19.75 H new ATOM 0 HB ATHR A 321 42.145 67.717 17.003 0.57 29.06 H new ATOM 0 HB BTHR A 321 40.480 67.697 17.011 0.43 29.06 H new ATOM 0 HG1ATHR A 321 43.257 68.493 18.542 0.57 22.77 H new ATOM 0 HG1BTHR A 321 40.325 67.817 14.790 0.43 22.77 H new ATOM 0 HG21ATHR A 321 43.373 68.999 15.480 0.57 20.94 H new ATOM 0 HG21BTHR A 321 39.291 66.007 15.857 0.43 20.94 H new ATOM 0 HG22ATHR A 321 41.856 68.897 15.034 0.57 20.94 H new ATOM 0 HG22BTHR A 321 38.593 66.308 17.247 0.43 20.94 H new ATOM 0 HG23ATHR A 321 42.391 70.217 15.727 0.57 20.94 H new ATOM 0 HG23BTHR A 321 37.984 66.899 15.909 0.43 20.94 H new ATOM 486 N AGLY A 322 39.367 68.440 19.504 0.57 26.71 N ANISOU 486 N AGLY A 322 3913 3440 2796 -445 -918 558 N ATOM 487 N BGLY A 322 39.348 68.203 19.513 0.43 19.04 N ANISOU 487 N BGLY A 322 2939 2474 1821 -443 -922 538 N ATOM 488 CA AGLY A 322 38.998 67.550 20.569 0.57 19.74 C ANISOU 488 CA AGLY A 322 2867 2550 2082 -427 -918 464 C ATOM 489 CA BGLY A 322 39.008 67.459 20.666 0.43 26.13 C ANISOU 489 CA BGLY A 322 3664 3361 2904 -426 -912 455 C ATOM 490 C AGLY A 322 39.628 67.922 21.895 0.57 14.33 C ANISOU 490 C AGLY A 322 2049 1860 1535 -427 -769 453 C ATOM 491 C BGLY A 322 39.684 67.906 21.910 0.43 14.30 C ANISOU 491 C BGLY A 322 2045 1859 1529 -428 -762 451 C ATOM 492 O AGLY A 322 39.828 69.063 22.171 0.57 14.92 O ANISOU 492 O AGLY A 322 2119 1896 1654 -437 -739 526 O ATOM 493 O BGLY A 322 39.796 69.051 22.179 0.43 15.82 O ANISOU 493 O BGLY A 322 2232 2009 1771 -436 -742 525 O ATOM 0 H AGLY A 322 38.969 69.202 19.511 0.57 19.04 H new ATOM 0 H BGLY A 322 40.161 68.482 19.476 0.43 19.04 H new ATOM 0 HA2AGLY A 322 38.033 67.550 20.664 0.57 26.13 H new ATOM 0 HA2BGLY A 322 38.048 67.509 20.797 0.43 26.13 H new ATOM 0 HA3AGLY A 322 39.260 66.646 20.334 0.57 26.13 H new ATOM 0 HA3BGLY A 322 39.225 66.526 20.511 0.43 26.13 H new ATOM 500 N LEU A 323 39.604 66.975 22.801 1.00 13.53 N ANISOU 500 N LEU A 323 1844 1767 1530 -403 -725 366 N ATOM 501 CA LEU A 323 39.876 67.257 24.203 1.00 12.38 C ANISOU 501 CA LEU A 323 1600 1587 1516 -379 -635 350 C ATOM 502 C LEU A 323 41.297 66.889 24.625 1.00 13.36 C ANISOU 502 C LEU A 323 1712 1763 1600 -404 -504 297 C ATOM 503 O LEU A 323 41.700 67.183 25.747 1.00 12.60 O ANISOU 503 O LEU A 323 1570 1630 1587 -389 -460 280 O ATOM 504 CB LEU A 323 38.873 66.514 25.080 1.00 11.82 C ANISOU 504 CB LEU A 323 1425 1471 1596 -318 -656 312 C ATOM 505 CG LEU A 323 37.406 66.770 24.734 1.00 12.91 C ANISOU 505 CG LEU A 323 1517 1538 1850 -289 -789 382 C ATOM 506 CD1 LEU A 323 36.513 65.838 25.541 1.00 13.88 C ANISOU 506 CD1 LEU A 323 1507 1610 2157 -232 -775 361 C ATOM 507 CD2 LEU A 323 37.046 68.224 24.993 1.00 15.21 C ANISOU 507 CD2 LEU A 323 1820 1757 2203 -262 -794 476 C ATOM 0 H ALEU A 323 39.431 66.150 22.630 0.57 13.53 H new ATOM 0 H BLEU A 323 39.393 66.159 22.632 0.43 13.53 H new ATOM 0 HA LEU A 323 39.786 68.216 24.319 1.00 12.38 H new ATOM 0 HB2 LEU A 323 39.047 65.562 25.013 1.00 11.82 H new ATOM 0 HB3 LEU A 323 39.023 66.765 26.005 1.00 11.82 H new ATOM 0 HG LEU A 323 37.268 66.590 23.791 1.00 12.91 H new ATOM 0 HD11 LEU A 323 35.584 66.005 25.317 1.00 13.88 H new ATOM 0 HD12 LEU A 323 36.734 64.917 25.333 1.00 13.88 H new ATOM 0 HD13 LEU A 323 36.651 65.997 26.488 1.00 13.88 H new ATOM 0 HD21 LEU A 323 36.114 68.372 24.769 1.00 15.21 H new ATOM 0 HD22 LEU A 323 37.190 68.431 25.930 1.00 15.21 H new ATOM 0 HD23 LEU A 323 37.604 68.798 24.446 1.00 15.21 H new ATOM 519 N GLY A 324 42.043 66.234 23.742 1.00 12.14 N ANISOU 519 N GLY A 324 1609 1681 1323 -432 -449 272 N ATOM 520 CA GLY A 324 43.457 65.999 23.987 1.00 11.99 C ANISOU 520 CA GLY A 324 1554 1702 1301 -457 -317 254 C ATOM 521 C GLY A 324 43.774 64.879 24.956 1.00 13.74 C ANISOU 521 C GLY A 324 1689 1938 1594 -425 -275 160 C ATOM 522 O GLY A 324 44.752 64.953 25.702 1.00 12.31 O ANISOU 522 O GLY A 324 1441 1751 1486 -437 -219 153 O ATOM 0 H GLY A 324 41.749 65.919 22.998 1.00 12.14 H new ATOM 0 HA2 GLY A 324 43.888 65.804 23.140 1.00 11.99 H new ATOM 0 HA3 GLY A 324 43.851 66.819 24.324 1.00 11.99 H new ATOM 526 N PHE A 325 42.954 63.837 24.964 1.00 10.46 N ANISOU 526 N PHE A 325 1270 1528 1176 -387 -318 94 N ATOM 527 CA PHE A 325 43.302 62.645 25.727 1.00 9.58 C ANISOU 527 CA PHE A 325 1090 1431 1118 -354 -264 12 C ATOM 528 C PHE A 325 42.634 61.411 25.149 1.00 9.85 C ANISOU 528 C PHE A 325 1151 1474 1116 -335 -303 -53 C ATOM 529 O PHE A 325 41.654 61.511 24.409 1.00 10.51 O ANISOU 529 O PHE A 325 1290 1533 1170 -343 -416 -37 O ATOM 530 CB PHE A 325 42.946 62.818 27.213 1.00 8.68 C ANISOU 530 CB PHE A 325 914 1257 1128 -310 -278 6 C ATOM 531 CG PHE A 325 41.464 62.849 27.512 1.00 8.60 C ANISOU 531 CG PHE A 325 888 1185 1194 -266 -341 27 C ATOM 532 CD1 PHE A 325 40.788 61.681 27.815 1.00 8.41 C ANISOU 532 CD1 PHE A 325 810 1143 1242 -227 -338 -13 C ATOM 533 CD2 PHE A 325 40.762 64.042 27.525 1.00 9.55 C ANISOU 533 CD2 PHE A 325 1030 1251 1349 -259 -393 100 C ATOM 534 CE1 PHE A 325 39.436 61.690 28.112 1.00 8.65 C ANISOU 534 CE1 PHE A 325 785 1100 1401 -185 -377 32 C ATOM 535 CE2 PHE A 325 39.399 64.066 27.825 1.00 9.70 C ANISOU 535 CE2 PHE A 325 1002 1200 1484 -206 -429 139 C ATOM 536 CZ PHE A 325 38.736 62.885 28.125 1.00 9.19 C ANISOU 536 CZ PHE A 325 861 1116 1516 -170 -416 112 C ATOM 0 H PHE A 325 42.205 63.798 24.543 1.00 10.46 H new ATOM 0 HA PHE A 325 44.262 62.521 25.662 1.00 9.58 H new ATOM 0 HB2 PHE A 325 43.349 62.093 27.715 1.00 8.68 H new ATOM 0 HB3 PHE A 325 43.345 63.642 27.534 1.00 8.68 H new ATOM 0 HD1 PHE A 325 41.251 60.874 27.819 1.00 8.41 H new ATOM 0 HD2 PHE A 325 41.204 64.837 27.332 1.00 9.55 H new ATOM 0 HE1 PHE A 325 38.997 60.893 28.303 1.00 8.65 H new ATOM 0 HE2 PHE A 325 38.936 64.873 27.824 1.00 9.70 H new ATOM 0 HZ PHE A 325 37.830 62.896 28.333 1.00 9.19 H new ATOM 546 N AASN A 326 43.190 60.250 25.487 0.66 9.86 N ANISOU 546 N AASN A 326 1117 1497 1134 -311 -232 -125 N ATOM 547 N BASN A 326 43.290 60.250 25.487 0.34 9.23 N ANISOU 547 N BASN A 326 1037 1420 1051 -312 -223 -125 N ATOM 548 CA AASN A 326 42.653 58.969 25.044 0.66 9.60 C ANISOU 548 CA AASN A 326 1110 1449 1086 -294 -273 -200 C ATOM 549 CA BASN A 326 42.753 58.969 25.044 0.34 9.59 C ANISOU 549 CA BASN A 326 1110 1453 1081 -294 -264 -201 C ATOM 550 C AASN A 326 42.153 58.164 26.231 0.66 8.76 C ANISOU 550 C AASN A 326 897 1297 1135 -255 -271 -229 C ATOM 551 C BASN A 326 42.253 58.164 26.231 0.34 11.93 C ANISOU 551 C BASN A 326 1300 1703 1531 -255 -262 -230 C ATOM 552 O AASN A 326 42.615 58.347 27.363 0.66 7.97 O ANISOU 552 O AASN A 326 734 1193 1100 -226 -202 -213 O ATOM 553 O BASN A 326 42.715 58.347 27.363 0.34 7.96 O ANISOU 553 O BASN A 326 734 1197 1094 -227 -195 -214 O ATOM 554 CB AASN A 326 43.712 58.186 24.278 0.66 10.32 C ANISOU 554 CB AASN A 326 1277 1587 1056 -285 -169 -257 C ATOM 555 CB BASN A 326 43.812 58.186 24.278 0.34 13.32 C ANISOU 555 CB BASN A 326 1656 1971 1433 -284 -157 -257 C ATOM 556 CG AASN A 326 44.107 58.871 22.988 0.66 24.38 C ANISOU 556 CG AASN A 326 3201 3401 2661 -303 -139 -215 C ATOM 557 CG BASN A 326 44.485 59.026 23.215 0.34 29.61 C ANISOU 557 CG BASN A 326 3828 4076 3347 -304 -92 -199 C ATOM 558 OD1AASN A 326 43.250 59.255 22.196 0.66 20.10 O ANISOU 558 OD1AASN A 326 2768 2834 2035 -318 -267 -198 O ATOM 559 OD1BASN A 326 43.845 60.118 22.825 0.34 38.11 O ANISOU 559 OD1BASN A 326 4955 5138 4389 -335 -186 -129 O ATOM 560 ND2AASN A 326 45.403 59.045 22.779 0.66 30.95 N ANISOU 560 ND2AASN A 326 4029 4278 3453 -296 31 -183 N ATOM 561 ND2BASN A 326 45.564 58.684 22.737 0.34 49.73 N ANISOU 561 ND2BASN A 326 6412 6659 5823 -284 58 -206 N ATOM 0 H AASN A 326 43.891 60.184 25.981 0.66 9.23 H new ATOM 0 H BASN A 326 44.013 60.207 25.951 0.34 9.23 H new ATOM 0 HA AASN A 326 41.905 59.137 24.450 0.66 9.59 H new ATOM 0 HA BASN A 326 42.005 59.137 24.450 0.34 9.59 H new ATOM 0 HB2AASN A 326 44.497 58.075 24.837 0.66 13.32 H new ATOM 0 HB2BASN A 326 44.480 57.856 24.899 0.34 13.32 H new ATOM 0 HB3AASN A 326 43.376 57.298 24.081 0.66 13.32 H new ATOM 0 HB3BASN A 326 43.402 57.410 23.864 0.34 13.32 H new ATOM 0 HD21AASN A 326 45.674 59.441 22.065 0.66 49.73 H new ATOM 0 HD21BASN A 326 45.933 59.161 22.124 0.34 49.73 H new ATOM 0 HD22AASN A 326 45.974 58.762 23.357 0.66 49.73 H new ATOM 0 HD22BASN A 326 45.950 57.968 23.016 0.34 49.73 H new ATOM 574 N ILE A 327 41.198 57.276 25.969 1.00 9.71 N ANISOU 574 N ILE A 327 1008 1365 1318 -251 -357 -265 N ATOM 575 CA ILE A 327 40.613 56.458 27.016 1.00 9.24 C ANISOU 575 CA ILE A 327 841 1243 1427 -212 -335 -269 C ATOM 576 C ILE A 327 40.746 54.983 26.678 1.00 10.78 C ANISOU 576 C ILE A 327 1050 1415 1629 -209 -340 -357 C ATOM 577 O ILE A 327 40.922 54.610 25.514 1.00 12.19 O ANISOU 577 O ILE A 327 1341 1603 1688 -236 -403 -420 O ATOM 578 CB ILE A 327 39.135 56.809 27.247 1.00 9.60 C ANISOU 578 CB ILE A 327 806 1204 1639 -207 -427 -194 C ATOM 579 CG1 ILE A 327 38.355 56.671 25.934 1.00 12.72 C ANISOU 579 CG1 ILE A 327 1262 1566 2006 -253 -591 -200 C ATOM 580 CG2 ILE A 327 39.001 58.217 27.835 1.00 10.59 C ANISOU 580 CG2 ILE A 327 921 1330 1772 -183 -389 -108 C ATOM 581 CD1 ILE A 327 36.861 56.700 26.104 1.00 13.52 C ANISOU 581 CD1 ILE A 327 1280 1567 2291 -229 -645 -113 C ATOM 0 H AILE A 327 40.876 57.134 25.184 0.66 9.71 H new ATOM 0 H BILE A 327 40.844 57.166 25.193 0.34 9.71 H new ATOM 0 HA ILE A 327 41.099 56.643 27.835 1.00 9.24 H new ATOM 0 HB ILE A 327 38.757 56.189 27.890 1.00 9.60 H new ATOM 0 HG12 ILE A 327 38.617 57.388 25.336 1.00 12.72 H new ATOM 0 HG13 ILE A 327 38.606 55.838 25.505 1.00 12.72 H new ATOM 0 HG21 ILE A 327 38.063 58.422 27.974 1.00 10.59 H new ATOM 0 HG22 ILE A 327 39.470 58.260 28.683 1.00 10.59 H new ATOM 0 HG23 ILE A 327 39.385 58.862 27.221 1.00 10.59 H new ATOM 0 HD11 ILE A 327 36.435 56.608 25.238 1.00 13.52 H new ATOM 0 HD12 ILE A 327 36.586 55.968 26.678 1.00 13.52 H new ATOM 0 HD13 ILE A 327 36.597 57.542 26.506 1.00 13.52 H new ATOM 593 N VAL A 328 40.655 54.154 27.715 1.00 9.19 N ANISOU 593 N VAL A 328 760 1173 1560 -166 -269 -359 N ATOM 594 CA VAL A 328 40.540 52.709 27.549 1.00 10.44 C ANISOU 594 CA VAL A 328 910 1275 1781 -162 -285 -430 C ATOM 595 C VAL A 328 39.372 52.221 28.397 1.00 12.06 C ANISOU 595 C VAL A 328 1003 1376 2203 -133 -285 -355 C ATOM 596 O VAL A 328 39.045 52.818 29.418 1.00 12.66 O ANISOU 596 O VAL A 328 1035 1438 2339 -85 -199 -263 O ATOM 597 CB VAL A 328 41.846 51.981 27.928 1.00 11.58 C ANISOU 597 CB VAL A 328 1073 1467 1859 -120 -151 -487 C ATOM 598 CG1 VAL A 328 42.952 52.362 26.969 1.00 22.37 C ANISOU 598 CG1 VAL A 328 2545 2918 3036 -134 -111 -529 C ATOM 599 CG2 VAL A 328 42.244 52.272 29.369 1.00 13.21 C ANISOU 599 CG2 VAL A 328 1210 1687 2123 -65 -44 -425 C ATOM 0 H VAL A 328 40.658 54.414 28.535 1.00 9.19 H new ATOM 0 HA VAL A 328 40.378 52.507 26.614 1.00 10.44 H new ATOM 0 HB VAL A 328 41.694 51.026 27.859 1.00 11.58 H new ATOM 0 HG11 VAL A 328 43.768 51.899 27.216 1.00 22.37 H new ATOM 0 HG12 VAL A 328 42.699 52.111 26.067 1.00 22.37 H new ATOM 0 HG13 VAL A 328 43.099 53.320 27.009 1.00 22.37 H new ATOM 0 HG21 VAL A 328 43.066 51.802 29.579 1.00 13.21 H new ATOM 0 HG22 VAL A 328 42.379 53.226 29.481 1.00 13.21 H new ATOM 0 HG23 VAL A 328 41.540 51.973 29.966 1.00 13.21 H new ATOM 609 N GLY A 329 38.736 51.139 27.958 1.00 15.61 N ANISOU 609 N GLY A 329 1862 1159 2910 -516 -484 -285 N ATOM 610 CA GLY A 329 37.622 50.558 28.684 1.00 16.72 C ANISOU 610 CA GLY A 329 2025 1233 3094 -629 -441 -218 C ATOM 611 C GLY A 329 37.319 49.171 28.163 1.00 19.53 C ANISOU 611 C GLY A 329 2478 1418 3526 -730 -502 -350 C ATOM 612 O GLY A 329 38.137 48.599 27.453 1.00 20.55 O ANISOU 612 O GLY A 329 2681 1454 3671 -675 -559 -489 O ATOM 0 H GLY A 329 38.940 50.725 27.233 1.00 15.61 H new ATOM 0 HA2 GLY A 329 37.832 50.516 29.630 1.00 16.72 H new ATOM 0 HA3 GLY A 329 36.839 51.123 28.592 1.00 16.72 H new ATOM 616 N THR A 330 36.148 48.641 28.519 1.00 21.09 N ANISOU 616 N THR A 330 2678 1567 3767 -877 -481 -323 N ATOM 617 CA THR A 330 35.719 47.314 28.067 1.00 24.08 C ANISOU 617 CA THR A 330 3166 1776 4205 -1018 -519 -451 C ATOM 618 C THR A 330 34.238 47.293 27.687 1.00 25.70 C ANISOU 618 C THR A 330 3274 2064 4429 -1216 -550 -475 C ATOM 619 O THR A 330 33.467 48.150 28.120 1.00 24.80 O ANISOU 619 O THR A 330 3013 2087 4325 -1226 -526 -358 O ATOM 620 CB THR A 330 35.932 46.250 29.151 1.00 25.48 C ANISOU 620 CB THR A 330 3486 1723 4471 -1021 -461 -394 C ATOM 621 OG1 THR A 330 34.978 46.445 30.200 1.00 25.64 O ANISOU 621 OG1 THR A 330 3440 1769 4531 -1106 -408 -255 O ATOM 622 CG2 THR A 330 37.348 46.320 29.720 1.00 24.07 C ANISOU 622 CG2 THR A 330 3373 1492 4281 -822 -433 -337 C ATOM 0 H THR A 330 35.581 49.039 29.028 1.00 21.09 H new ATOM 0 HA THR A 330 36.264 47.114 27.290 1.00 24.08 H new ATOM 0 HB THR A 330 35.810 45.374 28.752 1.00 25.48 H new ATOM 0 HG1 THR A 330 34.673 45.701 30.443 1.00 25.64 H new ATOM 0 HG21 THR A 330 37.457 45.639 30.402 1.00 24.07 H new ATOM 0 HG22 THR A 330 37.990 46.171 29.009 1.00 24.07 H new ATOM 0 HG23 THR A 330 37.497 47.195 30.111 1.00 24.07 H new ATOM 630 N AGLU A 331 33.857 46.249 26.965 0.51 28.52 N ANISOU 630 N AGLU A 331 3716 2315 4805 -1375 -599 -630 N ATOM 631 N BGLU A 331 33.863 46.251 26.958 0.49 28.52 N ANISOU 631 N BGLU A 331 3716 2314 4805 -1374 -600 -630 N ATOM 632 CA AGLU A 331 32.485 46.120 26.500 0.51 30.58 C ANISOU 632 CA AGLU A 331 3871 2670 5078 -1594 -641 -680 C ATOM 633 CA BGLU A 331 32.491 46.110 26.498 0.49 30.59 C ANISOU 633 CA BGLU A 331 3875 2670 5080 -1594 -641 -682 C ATOM 634 C AGLU A 331 31.532 45.814 27.631 0.51 31.66 C ANISOU 634 C AGLU A 331 3971 2731 5326 -1698 -572 -565 C ATOM 635 C BGLU A 331 31.543 45.844 27.641 0.49 31.58 C ANISOU 635 C BGLU A 331 3958 2725 5315 -1693 -571 -562 C ATOM 636 O AGLU A 331 30.417 46.227 27.578 0.51 37.90 O ANISOU 636 O AGLU A 331 4594 3663 6141 -1809 -586 -534 O ATOM 637 O BGLU A 331 30.418 46.228 27.573 0.49 37.85 O ANISOU 637 O BGLU A 331 4589 3659 6135 -1809 -587 -534 O ATOM 638 CB AGLU A 331 32.374 45.059 25.406 0.51 40.01 C ANISOU 638 CB AGLU A 331 5178 3767 6256 -1763 -719 -901 C ATOM 639 CB BGLU A 331 32.367 44.990 25.474 0.49 38.61 C ANISOU 639 CB BGLU A 331 5011 3574 6087 -1767 -713 -898 C ATOM 0 H AGLU A 331 34.377 45.604 26.734 0.51 28.52 H new ATOM 0 H BGLU A 331 34.389 45.614 26.719 0.49 28.52 H new ATOM 0 HA AGLU A 331 32.231 46.978 26.126 0.51 30.59 H new ATOM 0 HA BGLU A 331 32.249 46.953 26.083 0.49 30.59 H new ATOM 644 N AASP A 332 32.038 45.318 28.740 0.51 31.46 N ANISOU 644 N AASP A 332 4076 2522 5356 -1630 -491 -475 N ATOM 645 N BASP A 332 31.982 45.289 28.718 0.49 31.60 N ANISOU 645 N BASP A 332 4092 2539 5375 -1642 -493 -480 N ATOM 646 CA AASP A 332 31.254 45.039 29.936 0.51 36.06 C ANISOU 646 CA AASP A 332 4651 3034 6015 -1729 -408 -358 C ATOM 647 CA BASP A 332 31.057 45.157 29.786 0.49 32.61 C ANISOU 647 CA BASP A 332 4178 2637 5576 -1750 -418 -367 C ATOM 648 C AASP A 332 31.081 46.283 30.796 0.51 30.14 C ANISOU 648 C AASP A 332 3760 2453 5240 -1612 -351 -190 C ATOM 649 C BASP A 332 31.084 46.282 30.780 0.49 30.14 C ANISOU 649 C BASP A 332 3760 2454 5239 -1612 -352 -191 C ATOM 650 O AASP A 332 30.266 46.297 31.719 0.51 31.05 O ANISOU 650 O AASP A 332 3833 2569 5396 -1705 -275 -100 O ATOM 651 O BASP A 332 30.295 46.287 31.676 0.49 31.03 O ANISOU 651 O BASP A 332 3833 2566 5393 -1703 -279 -105 O ATOM 652 CB AASP A 332 31.913 43.928 30.754 0.51 33.83 C ANISOU 652 CB AASP A 332 4590 2479 5786 -1714 -346 -333 C ATOM 653 CB BASP A 332 31.254 43.842 30.484 0.49 34.87 C ANISOU 653 CB BASP A 332 4671 2644 5934 -1829 -357 -373 C ATOM 654 CG AASP A 332 31.742 42.561 30.120 0.51 39.54 C ANISOU 654 CG AASP A 332 5475 2982 6569 -1881 -363 -497 C ATOM 655 CG BASP A 332 32.575 43.697 31.042 0.49 42.55 C ANISOU 655 CG BASP A 332 5783 3493 6890 -1628 -331 -311 C ATOM 656 OD1AASP A 332 30.688 42.325 29.491 0.51 39.24 O ANISOU 656 OD1AASP A 332 5361 2998 6550 -2097 -393 -600 O ATOM 657 OD1BASP A 332 33.513 44.234 30.444 0.49 31.50 O ANISOU 657 OD1BASP A 332 4367 2175 5428 -1458 -380 -348 O ATOM 658 OD2AASP A 332 32.662 41.727 30.247 0.51 45.30 O ANISOU 658 OD2AASP A 332 6402 3480 7329 -1796 -343 -528 O ATOM 659 OD2BASP A 332 32.699 43.000 32.064 0.49 45.41 O ANISOU 659 OD2BASP A 332 6274 3677 7304 -1647 -260 -228 O ATOM 0 H AASP A 332 32.872 45.126 28.827 0.51 31.60 H new ATOM 0 H BASP A 332 32.777 44.991 28.854 0.49 31.60 H new ATOM 0 HA AASP A 332 30.374 44.749 29.649 0.51 32.61 H new ATOM 0 HA BASP A 332 30.179 45.194 29.376 0.49 32.61 H new ATOM 0 HB2AASP A 332 32.859 44.120 30.852 0.51 34.87 H new ATOM 0 HB2BASP A 332 30.597 43.755 31.192 0.49 34.87 H new ATOM 0 HB3AASP A 332 31.532 43.918 31.646 0.51 34.87 H new ATOM 0 HB3BASP A 332 31.092 43.120 29.857 0.49 34.87 H new ATOM 668 N GLY A 333 31.851 47.325 30.495 1.00 27.34 N ANISOU 668 N GLY A 333 3344 2234 4810 -1421 -374 -159 N ATOM 669 CA GLY A 333 31.767 48.567 31.241 1.00 25.21 C ANISOU 669 CA GLY A 333 2963 2107 4508 -1304 -311 -22 C ATOM 670 C GLY A 333 32.341 48.481 32.645 1.00 24.81 C ANISOU 670 C GLY A 333 3013 1975 4438 -1236 -220 87 C ATOM 671 O GLY A 333 31.633 48.719 33.625 1.00 45.78 O ANISOU 671 O GLY A 333 5635 4655 7106 -1297 -137 172 O ATOM 0 H AGLY A 333 32.430 47.329 29.859 0.51 27.34 H new ATOM 0 H BGLY A 333 32.434 47.331 29.863 0.49 27.34 H new ATOM 0 HA2 GLY A 333 32.236 49.261 30.751 1.00 25.21 H new ATOM 0 HA3 GLY A 333 30.837 48.838 31.297 1.00 25.21 H new ATOM 675 N AGLU A 334 33.613 48.174 32.667 0.55 23.63 N ANISOU 675 N AGLU A 334 2979 1747 4254 -1119 -240 73 N ATOM 676 N BGLU A 334 33.646 48.249 32.602 0.45 23.58 N ANISOU 676 N BGLU A 334 2968 1747 4246 -1116 -246 66 N ATOM 677 CA AGLU A 334 34.316 48.100 33.937 0.55 23.16 C ANISOU 677 CA AGLU A 334 3011 1631 4159 -1052 -174 175 C ATOM 678 CA BGLU A 334 34.445 48.019 33.808 0.45 23.18 C ANISOU 678 CA BGLU A 334 3026 1616 4165 -1041 -191 155 C ATOM 679 C AGLU A 334 35.214 49.300 34.201 0.55 22.69 C ANISOU 679 C AGLU A 334 2893 1724 4003 -885 -157 229 C ATOM 680 C BGLU A 334 35.115 49.298 34.323 0.45 22.81 C ANISOU 680 C BGLU A 334 2910 1737 4020 -887 -158 227 C ATOM 681 O AGLU A 334 36.320 49.192 34.670 0.55 29.66 O ANISOU 681 O AGLU A 334 3850 2575 4846 -794 -157 261 O ATOM 682 O BGLU A 334 36.159 49.231 34.966 0.45 30.05 O ANISOU 682 O BGLU A 334 3898 2628 4893 -797 -152 266 O ATOM 683 CB AGLU A 334 35.090 46.815 34.117 0.55 42.62 C ANISOU 683 CB AGLU A 334 5651 3875 6666 -1049 -194 154 C ATOM 684 CB BGLU A 334 35.504 46.952 33.549 0.45 32.17 C ANISOU 684 CB BGLU A 334 4319 2567 5337 -990 -239 94 C ATOM 685 CG AGLU A 334 35.962 46.354 32.991 0.55 40.49 C ANISOU 685 CG AGLU A 334 5438 3532 6415 -965 -274 33 C ATOM 686 CG BGLU A 334 35.025 45.541 33.812 0.45 44.25 C ANISOU 686 CG BGLU A 334 6010 3856 6948 -1104 -209 109 C ATOM 687 CD AGLU A 334 35.953 44.849 32.872 0.55 54.60 C ANISOU 687 CD AGLU A 334 7398 5053 8295 -1045 -282 -34 C ATOM 688 CD BGLU A 334 35.788 44.526 33.000 0.45 59.23 C ANISOU 688 CD BGLU A 334 8065 5561 8879 -985 -235 99 C ATOM 689 OE1AGLU A 334 35.105 44.347 32.119 0.55 51.32 O ANISOU 689 OE1AGLU A 334 6989 4586 7924 -1194 -305 -143 O ATOM 690 OE1BGLU A 334 36.847 44.063 33.471 0.45 61.83 O ANISOU 690 OE1BGLU A 334 8474 5818 9202 -934 -200 219 O ATOM 691 OE2AGLU A 334 36.779 44.178 33.524 0.55 55.94 O ANISOU 691 OE2AGLU A 334 7699 5061 8495 -966 -266 21 O ATOM 692 OE2BGLU A 334 35.330 44.206 31.886 0.45 57.70 O ANISOU 692 OE2BGLU A 334 7923 5282 8720 -941 -288 -31 O ATOM 0 H AGLU A 334 34.091 48.005 31.972 0.55 23.58 H new ATOM 0 H BGLU A 334 34.099 48.220 31.872 0.45 23.58 H new ATOM 0 HA AGLU A 334 33.609 48.113 34.601 0.55 23.18 H new ATOM 0 HA BGLU A 334 33.832 47.714 34.495 0.45 23.18 H new ATOM 0 HB2AGLU A 334 35.648 46.913 34.904 0.55 32.17 H new ATOM 0 HB2BGLU A 334 35.799 47.018 32.627 0.45 32.17 H new ATOM 0 HB3AGLU A 334 34.453 46.109 34.307 0.55 32.17 H new ATOM 0 HB3BGLU A 334 36.276 47.132 34.108 0.45 32.17 H new ATOM 0 HG2AGLU A 334 35.656 46.748 32.159 0.55 44.25 H new ATOM 0 HG2BGLU A 334 35.122 45.338 34.756 0.45 44.25 H new ATOM 0 HG3AGLU A 334 36.870 46.664 33.134 0.55 44.25 H new ATOM 0 HG3BGLU A 334 34.080 45.477 33.603 0.45 44.25 H new ATOM 705 N GLY A 335 34.777 50.395 33.673 1.00 20.44 N ANISOU 705 N GLY A 335 2476 1597 3693 -848 -158 222 N ATOM 706 CA GLY A 335 35.458 51.653 33.894 1.00 19.30 C ANISOU 706 CA GLY A 335 2280 1594 3460 -713 -125 266 C ATOM 707 C GLY A 335 36.058 52.258 32.647 1.00 15.14 C ANISOU 707 C GLY A 335 1702 1151 2899 -620 -186 203 C ATOM 708 O GLY A 335 36.504 51.549 31.743 1.00 15.81 O ANISOU 708 O GLY A 335 1831 1170 3004 -628 -258 114 O ATOM 0 H AGLY A 335 34.079 50.447 33.174 0.55 20.44 H new ATOM 0 H BGLY A 335 34.145 50.431 33.090 0.45 20.44 H new ATOM 0 HA2 GLY A 335 34.831 52.285 34.279 1.00 19.30 H new ATOM 0 HA3 GLY A 335 36.162 51.518 34.547 1.00 19.30 H new ATOM 712 N ILE A 336 36.066 53.576 32.605 1.00 13.55 N ANISOU 712 N ILE A 336 1426 1081 2640 -540 -150 241 N ATOM 713 CA ILE A 336 36.700 54.346 31.541 1.00 12.05 C ANISOU 713 CA ILE A 336 1207 980 2393 -460 -187 202 C ATOM 714 C ILE A 336 37.883 55.046 32.157 1.00 10.35 C ANISOU 714 C ILE A 336 1025 824 2086 -361 -138 237 C ATOM 715 O ILE A 336 37.702 55.823 33.082 1.00 9.93 O ANISOU 715 O ILE A 336 961 818 1995 -336 -65 294 O ATOM 716 CB ILE A 336 35.735 55.364 30.940 1.00 11.99 C ANISOU 716 CB ILE A 336 1103 1059 2393 -459 -185 228 C ATOM 717 CG1 ILE A 336 34.500 54.671 30.337 1.00 14.04 C ANISOU 717 CG1 ILE A 336 1302 1291 2743 -585 -245 190 C ATOM 718 CG2 ILE A 336 36.424 56.230 29.902 1.00 10.65 C ANISOU 718 CG2 ILE A 336 928 981 2138 -395 -212 203 C ATOM 719 CD1 ILE A 336 34.772 53.719 29.212 1.00 15.00 C ANISOU 719 CD1 ILE A 336 1456 1384 2859 -659 -344 65 C ATOM 0 H ILE A 336 35.695 54.065 33.207 1.00 13.55 H new ATOM 0 HA ILE A 336 36.973 53.760 30.818 1.00 12.05 H new ATOM 0 HB ILE A 336 35.435 55.941 31.660 1.00 11.99 H new ATOM 0 HG12 ILE A 336 34.043 54.188 31.044 1.00 14.04 H new ATOM 0 HG13 ILE A 336 33.889 55.354 30.020 1.00 14.04 H new ATOM 0 HG21 ILE A 336 35.789 56.866 29.538 1.00 10.65 H new ATOM 0 HG22 ILE A 336 37.159 56.709 30.316 1.00 10.65 H new ATOM 0 HG23 ILE A 336 36.765 55.670 29.188 1.00 10.65 H new ATOM 0 HD11 ILE A 336 33.936 53.336 28.902 1.00 15.00 H new ATOM 0 HD12 ILE A 336 35.200 54.194 28.482 1.00 15.00 H new ATOM 0 HD13 ILE A 336 35.356 53.010 29.522 1.00 15.00 H new ATOM 731 N PHE A 337 39.075 54.788 31.642 1.00 9.70 N ANISOU 731 N PHE A 337 981 737 1967 -319 -175 186 N ATOM 732 CA PHE A 337 40.297 55.361 32.219 1.00 8.35 C ANISOU 732 CA PHE A 337 832 629 1713 -249 -136 216 C ATOM 733 C PHE A 337 41.065 56.160 31.189 1.00 7.05 C ANISOU 733 C PHE A 337 653 548 1476 -201 -142 173 C ATOM 734 O PHE A 337 41.126 55.798 30.013 1.00 8.03 O ANISOU 734 O PHE A 337 776 660 1615 -223 -196 84 O ATOM 735 CB PHE A 337 41.194 54.252 32.797 1.00 9.07 C ANISOU 735 CB PHE A 337 990 622 1835 -250 -164 214 C ATOM 736 CG PHE A 337 40.524 53.422 33.846 1.00 10.65 C ANISOU 736 CG PHE A 337 1239 723 2087 -317 -151 266 C ATOM 737 CD1 PHE A 337 39.802 52.294 33.493 1.00 12.42 C ANISOU 737 CD1 PHE A 337 1502 810 2407 -382 -193 229 C ATOM 738 CD2 PHE A 337 40.620 53.762 35.188 1.00 10.90 C ANISOU 738 CD2 PHE A 337 1297 787 2058 -334 -93 342 C ATOM 739 CE1 PHE A 337 39.176 51.535 34.437 1.00 16.96 C ANISOU 739 CE1 PHE A 337 2138 1282 3024 -462 -169 282 C ATOM 740 CE2 PHE A 337 39.985 52.978 36.142 1.00 13.93 C ANISOU 740 CE2 PHE A 337 1747 1069 2476 -416 -71 391 C ATOM 741 CZ PHE A 337 39.284 51.879 35.768 1.00 15.42 C ANISOU 741 CZ PHE A 337 1971 1121 2765 -478 -105 369 C ATOM 0 H PHE A 337 39.206 54.284 30.958 1.00 9.70 H new ATOM 0 HA PHE A 337 40.032 55.959 32.935 1.00 8.35 H new ATOM 0 HB2 PHE A 337 41.485 53.673 32.075 1.00 9.07 H new ATOM 0 HB3 PHE A 337 41.991 54.656 33.175 1.00 9.07 H new ATOM 0 HD1 PHE A 337 39.743 52.050 32.597 1.00 12.42 H new ATOM 0 HD2 PHE A 337 41.107 54.511 35.447 1.00 10.90 H new ATOM 0 HE1 PHE A 337 38.679 50.790 34.185 1.00 16.96 H new ATOM 0 HE2 PHE A 337 40.041 53.208 37.041 1.00 13.93 H new ATOM 0 HZ PHE A 337 38.872 51.353 36.415 1.00 15.42 H new ATOM 751 N ILE A 338 41.656 57.263 31.627 1.00 6.57 N ANISOU 751 N ILE A 338 597 580 1320 -154 -85 214 N ATOM 752 CA ILE A 338 42.557 58.041 30.799 1.00 5.54 C ANISOU 752 CA ILE A 338 477 530 1097 -130 -71 183 C ATOM 753 C ILE A 338 43.863 57.268 30.637 1.00 6.53 C ANISOU 753 C ILE A 338 596 627 1260 -122 -104 135 C ATOM 754 O ILE A 338 44.541 56.943 31.617 1.00 8.19 O ANISOU 754 O ILE A 338 816 808 1487 -103 -101 185 O ATOM 755 CB ILE A 338 42.820 59.436 31.404 1.00 5.80 C ANISOU 755 CB ILE A 338 533 646 1025 -92 -16 227 C ATOM 756 CG1 ILE A 338 41.506 60.223 31.495 1.00 10.73 C ANISOU 756 CG1 ILE A 338 1134 1264 1678 -85 0 260 C ATOM 757 CG2 ILE A 338 43.828 60.176 30.571 1.00 5.87 C ANISOU 757 CG2 ILE A 338 565 743 922 -90 -2 196 C ATOM 758 CD1 ILE A 338 41.627 61.656 32.034 1.00 12.40 C ANISOU 758 CD1 ILE A 338 1366 1516 1828 -55 46 267 C ATOM 0 H ILE A 338 41.543 57.581 32.418 1.00 6.57 H new ATOM 0 HA ILE A 338 42.147 58.182 29.931 1.00 5.54 H new ATOM 0 HB ILE A 338 43.179 59.334 32.299 1.00 5.80 H new ATOM 0 HG12 ILE A 338 41.108 60.259 30.611 1.00 10.73 H new ATOM 0 HG13 ILE A 338 40.892 59.732 32.063 1.00 10.73 H new ATOM 0 HG21 ILE A 338 43.988 61.051 30.958 1.00 5.87 H new ATOM 0 HG22 ILE A 338 44.659 59.676 30.549 1.00 5.87 H new ATOM 0 HG23 ILE A 338 43.489 60.279 29.668 1.00 5.87 H new ATOM 0 HD11 ILE A 338 40.750 62.070 32.054 1.00 12.40 H new ATOM 0 HD12 ILE A 338 41.994 61.634 32.931 1.00 12.40 H new ATOM 0 HD13 ILE A 338 42.213 62.170 31.457 1.00 12.40 H new ATOM 770 N SER A 339 44.229 56.997 29.393 1.00 6.90 N ANISOU 770 N SER A 339 573 689 1360 -118 -177 17 N ATOM 771 CA SER A 339 45.446 56.249 29.095 1.00 7.91 C ANISOU 771 CA SER A 339 654 804 1546 -11 -249 -117 C ATOM 772 C SER A 339 46.582 57.133 28.584 1.00 12.65 C ANISOU 772 C SER A 339 1196 1665 1946 60 -180 -162 C ATOM 773 O SER A 339 47.722 56.690 28.515 1.00 12.78 O ANISOU 773 O SER A 339 1190 1729 1938 188 -181 -245 O ATOM 774 CB SER A 339 45.172 55.170 28.056 1.00 10.57 C ANISOU 774 CB SER A 339 1027 1040 1951 30 -350 -322 C ATOM 775 OG SER A 339 44.622 55.749 26.876 1.00 12.40 O ANISOU 775 OG SER A 339 1220 1430 2061 -30 -372 -406 O ATOM 0 H SER A 339 43.783 57.239 28.699 1.00 6.90 H new ATOM 0 HA SER A 339 45.725 55.853 29.935 1.00 7.91 H new ATOM 0 HB2 SER A 339 45.994 54.702 27.841 1.00 10.57 H new ATOM 0 HB3 SER A 339 44.558 54.512 28.418 1.00 10.57 H new ATOM 0 HG SER A 339 44.476 55.146 26.310 1.00 12.40 H new ATOM 781 N PHE A 340 46.242 58.349 28.172 1.00 9.36 N ANISOU 781 N PHE A 340 809 1378 1368 -21 -102 -74 N ATOM 782 CA PHE A 340 47.207 59.217 27.505 1.00 10.43 C ANISOU 782 CA PHE A 340 982 1661 1319 9 -33 -115 C ATOM 783 C PHE A 340 46.659 60.623 27.492 1.00 10.57 C ANISOU 783 C PHE A 340 1096 1685 1236 -56 12 -12 C ATOM 784 O PHE A 340 45.492 60.836 27.148 1.00 8.58 O ANISOU 784 O PHE A 340 838 1388 1033 -87 -4 19 O ATOM 785 CB PHE A 340 47.468 58.719 26.081 1.00 12.73 C ANISOU 785 CB PHE A 340 1217 2098 1524 73 -75 -329 C ATOM 786 CG PHE A 340 48.318 59.632 25.233 1.00 10.72 C ANISOU 786 CG PHE A 340 989 2005 1080 60 -21 -336 C ATOM 787 CD1 PHE A 340 47.725 60.629 24.483 1.00 13.38 C ANISOU 787 CD1 PHE A 340 1327 2344 1411 -5 10 -237 C ATOM 788 CD2 PHE A 340 49.693 59.483 25.170 1.00 11.18 C ANISOU 788 CD2 PHE A 340 1004 2129 1116 103 -40 -375 C ATOM 789 CE1 PHE A 340 48.484 61.473 23.684 1.00 10.94 C ANISOU 789 CE1 PHE A 340 1001 2090 1066 -31 0 -212 C ATOM 790 CE2 PHE A 340 50.457 60.332 24.366 1.00 14.62 C ANISOU 790 CE2 PHE A 340 1414 2633 1508 65 -25 -336 C ATOM 791 CZ PHE A 340 49.831 61.323 23.634 1.00 9.75 C ANISOU 791 CZ PHE A 340 799 2030 876 -4 -8 -272 C ATOM 0 H PHE A 340 45.459 58.691 28.269 1.00 9.36 H new ATOM 0 HA PHE A 340 48.052 59.206 27.982 1.00 10.43 H new ATOM 0 HB2 PHE A 340 47.899 57.851 26.130 1.00 12.73 H new ATOM 0 HB3 PHE A 340 46.616 58.588 25.637 1.00 12.73 H new ATOM 0 HD1 PHE A 340 46.802 60.737 24.514 1.00 13.38 H new ATOM 0 HD2 PHE A 340 50.110 58.815 25.665 1.00 11.18 H new ATOM 0 HE1 PHE A 340 48.070 62.139 23.184 1.00 10.94 H new ATOM 0 HE2 PHE A 340 51.381 60.231 24.324 1.00 14.62 H new ATOM 0 HZ PHE A 340 50.338 61.893 23.102 1.00 9.75 H new ATOM 801 N ILE A 341 47.512 61.586 27.856 1.00 9.43 N ANISOU 801 N ILE A 341 1000 1592 990 -61 -5 23 N ATOM 802 CA ILE A 341 47.179 63.003 27.723 1.00 8.52 C ANISOU 802 CA ILE A 341 910 1432 897 -79 -20 59 C ATOM 803 C ILE A 341 48.144 63.651 26.745 1.00 8.58 C ANISOU 803 C ILE A 341 879 1513 869 -89 -23 21 C ATOM 804 O ILE A 341 49.366 63.524 26.877 1.00 8.91 O ANISOU 804 O ILE A 341 891 1609 886 -85 -21 -6 O ATOM 805 CB ILE A 341 47.192 63.709 29.092 1.00 7.50 C ANISOU 805 CB ILE A 341 796 1252 799 -87 -27 101 C ATOM 806 CG1 ILE A 341 46.115 63.064 29.987 1.00 12.24 C ANISOU 806 CG1 ILE A 341 1405 1786 1459 -76 -22 158 C ATOM 807 CG2 ILE A 341 46.973 65.203 28.942 1.00 9.82 C ANISOU 807 CG2 ILE A 341 1081 1567 1084 -110 -31 116 C ATOM 808 CD1 ILE A 341 46.052 63.584 31.348 1.00 13.31 C ANISOU 808 CD1 ILE A 341 1558 1866 1632 -82 4 166 C ATOM 0 H ILE A 341 48.293 61.435 28.184 1.00 9.43 H new ATOM 0 HA ILE A 341 46.278 63.090 27.376 1.00 8.52 H new ATOM 0 HB ILE A 341 48.061 63.599 29.508 1.00 7.50 H new ATOM 0 HG12 ILE A 341 45.249 63.187 29.568 1.00 12.24 H new ATOM 0 HG13 ILE A 341 46.277 62.109 30.027 1.00 12.24 H new ATOM 0 HG21 ILE A 341 46.986 65.622 29.817 1.00 9.82 H new ATOM 0 HG22 ILE A 341 47.678 65.580 28.393 1.00 9.82 H new ATOM 0 HG23 ILE A 341 46.115 65.364 28.520 1.00 9.82 H new ATOM 0 HD11 ILE A 341 45.352 63.125 31.838 1.00 13.31 H new ATOM 0 HD12 ILE A 341 46.903 63.439 31.790 1.00 13.31 H new ATOM 0 HD13 ILE A 341 45.859 64.534 31.323 1.00 13.31 H new ATOM 820 N LEU A 342 47.570 64.317 25.740 1.00 8.16 N ANISOU 820 N LEU A 342 823 1235 1041 -149 -17 201 N ATOM 821 CA LEU A 342 48.358 64.984 24.728 1.00 9.22 C ANISOU 821 CA LEU A 342 1045 1369 1088 -194 61 274 C ATOM 822 C LEU A 342 48.990 66.264 25.249 1.00 9.51 C ANISOU 822 C LEU A 342 1073 1384 1157 -291 29 367 C ATOM 823 O LEU A 342 48.290 67.153 25.737 1.00 9.68 O ANISOU 823 O LEU A 342 1174 1332 1172 -295 -83 354 O ATOM 824 CB LEU A 342 47.487 65.304 23.505 1.00 11.54 C ANISOU 824 CB LEU A 342 1537 1633 1213 -176 -12 249 C ATOM 825 CG LEU A 342 48.233 65.952 22.353 1.00 13.79 C ANISOU 825 CG LEU A 342 1988 1901 1350 -241 90 331 C ATOM 826 CD1 LEU A 342 49.249 64.979 21.754 1.00 13.12 C ANISOU 826 CD1 LEU A 342 1895 1848 1242 -253 347 311 C ATOM 827 CD2 LEU A 342 47.215 66.390 21.321 1.00 15.52 C ANISOU 827 CD2 LEU A 342 2428 2088 1380 -230 -70 341 C ATOM 0 H LEU A 342 46.720 64.389 25.634 1.00 8.16 H new ATOM 0 HA LEU A 342 49.073 64.379 24.475 1.00 9.22 H new ATOM 0 HB2 LEU A 342 47.078 64.483 23.190 1.00 11.54 H new ATOM 0 HB3 LEU A 342 46.766 65.892 23.780 1.00 11.54 H new ATOM 0 HG LEU A 342 48.731 66.723 22.666 1.00 13.79 H new ATOM 0 HD11 LEU A 342 49.716 65.409 21.020 1.00 13.12 H new ATOM 0 HD12 LEU A 342 49.889 64.719 22.435 1.00 13.12 H new ATOM 0 HD13 LEU A 342 48.788 64.191 21.426 1.00 13.12 H new ATOM 0 HD21 LEU A 342 47.671 66.808 20.574 1.00 15.52 H new ATOM 0 HD22 LEU A 342 46.720 65.617 21.006 1.00 15.52 H new ATOM 0 HD23 LEU A 342 46.601 67.026 21.721 1.00 15.52 H new ATOM 839 N ALA A 343 50.311 66.366 25.132 1.00 9.93 N ANISOU 839 N ALA A 343 1030 1486 1258 -377 147 461 N ATOM 840 CA ALA A 343 51.008 67.597 25.495 1.00 10.82 C ANISOU 840 CA ALA A 343 1151 1576 1386 -538 115 552 C ATOM 841 C ALA A 343 50.417 68.799 24.727 1.00 11.77 C ANISOU 841 C ALA A 343 1536 1570 1365 -559 80 564 C ATOM 842 O ALA A 343 50.316 68.771 23.489 1.00 12.85 O ANISOU 842 O ALA A 343 1808 1697 1379 -524 156 584 O ATOM 843 CB ALA A 343 52.486 67.456 25.213 1.00 12.51 C ANISOU 843 CB ALA A 343 1219 1849 1685 -570 247 591 C ATOM 0 H ALA A 343 50.821 65.736 24.845 1.00 9.93 H new ATOM 0 HA ALA A 343 50.888 67.757 26.444 1.00 10.82 H new ATOM 0 HB1 ALA A 343 52.942 68.277 25.456 1.00 12.51 H new ATOM 0 HB2 ALA A 343 52.846 66.720 25.733 1.00 12.51 H new ATOM 0 HB3 ALA A 343 52.620 67.280 24.269 1.00 12.51 H new ATOM 849 N GLY A 344 50.007 69.830 25.469 1.00 12.25 N ANISOU 849 N GLY A 344 1711 1515 1429 -612 -29 557 N ATOM 850 CA GLY A 344 49.474 71.050 24.878 1.00 14.94 C ANISOU 850 CA GLY A 344 2311 1688 1675 -603 -63 598 C ATOM 851 C GLY A 344 47.999 71.023 24.485 1.00 16.42 C ANISOU 851 C GLY A 344 2593 1812 1833 -387 -170 558 C ATOM 852 O GLY A 344 47.446 72.042 24.041 1.00 17.03 O ANISOU 852 O GLY A 344 2871 1735 1865 -327 -227 623 O ATOM 0 H GLY A 344 50.032 69.838 26.329 1.00 12.25 H new ATOM 0 HA2 GLY A 344 49.608 71.777 25.506 1.00 14.94 H new ATOM 0 HA3 GLY A 344 49.996 71.259 24.087 1.00 14.94 H new ATOM 856 N GLY A 345 47.357 69.870 24.634 1.00 12.60 N ANISOU 856 N GLY A 345 1954 1441 1393 -274 -208 470 N ATOM 857 CA GLY A 345 45.936 69.758 24.388 1.00 13.72 C ANISOU 857 CA GLY A 345 2098 1562 1552 -103 -334 438 C ATOM 858 C GLY A 345 45.095 70.250 25.549 1.00 12.35 C ANISOU 858 C GLY A 345 1884 1288 1522 -13 -355 381 C ATOM 859 O GLY A 345 45.645 70.559 26.608 1.00 11.42 O ANISOU 859 O GLY A 345 1785 1115 1439 -112 -278 341 O ATOM 0 H GLY A 345 47.735 69.137 24.879 1.00 12.60 H new ATOM 0 HA2 GLY A 345 45.709 70.265 23.593 1.00 13.72 H new ATOM 0 HA3 GLY A 345 45.716 68.831 24.206 1.00 13.72 H new ATOM 863 N PRO A 346 43.758 70.335 25.355 1.00 14.33 N ANISOU 863 N PRO A 346 2078 1514 1854 165 -455 383 N ATOM 864 CA PRO A 346 42.871 70.866 26.393 1.00 12.36 C ANISOU 864 CA PRO A 346 1782 1144 1769 289 -405 330 C ATOM 865 C PRO A 346 42.972 70.156 27.754 1.00 10.93 C ANISOU 865 C PRO A 346 1502 1012 1640 210 -282 194 C ATOM 866 O PRO A 346 42.996 70.841 28.785 1.00 12.16 O ANISOU 866 O PRO A 346 1773 1023 1824 191 -165 139 O ATOM 867 CB PRO A 346 41.485 70.694 25.764 1.00 15.38 C ANISOU 867 CB PRO A 346 2002 1578 2263 482 -550 379 C ATOM 868 CG PRO A 346 41.757 70.979 24.319 1.00 14.89 C ANISOU 868 CG PRO A 346 2083 1533 2039 466 -710 519 C ATOM 869 CD PRO A 346 43.035 70.207 24.069 1.00 15.13 C ANISOU 869 CD PRO A 346 2186 1672 1891 253 -626 467 C ATOM 0 HA PRO A 346 43.099 71.781 26.622 1.00 12.36 H new ATOM 0 HB2 PRO A 346 41.135 69.799 25.897 1.00 15.38 H new ATOM 0 HB3 PRO A 346 40.837 71.311 26.140 1.00 15.38 H new ATOM 0 HG2 PRO A 346 41.034 70.675 23.748 1.00 14.89 H new ATOM 0 HG3 PRO A 346 41.870 71.928 24.153 1.00 14.89 H new ATOM 0 HD2 PRO A 346 42.857 69.279 23.848 1.00 15.13 H new ATOM 0 HD3 PRO A 346 43.543 70.582 23.332 1.00 15.13 H new ATOM 877 N ALA A 347 43.050 68.835 27.766 1.00 10.05 N ANISOU 877 N ALA A 347 1236 1070 1513 151 -299 143 N ATOM 878 CA ALA A 347 43.183 68.116 29.038 1.00 10.81 C ANISOU 878 CA ALA A 347 1274 1201 1633 69 -199 49 C ATOM 879 C ALA A 347 44.473 68.523 29.749 1.00 9.80 C ANISOU 879 C ALA A 347 1285 1032 1408 -101 -159 66 C ATOM 880 O ALA A 347 44.491 68.772 30.953 1.00 11.52 O ANISOU 880 O ALA A 347 1594 1179 1605 -176 -90 8 O ATOM 881 CB ALA A 347 43.150 66.607 28.802 1.00 8.85 C ANISOU 881 CB ALA A 347 878 1103 1382 35 -224 17 C ATOM 0 H ALA A 347 43.029 68.337 27.065 1.00 10.05 H new ATOM 0 HA ALA A 347 42.434 68.353 29.607 1.00 10.81 H new ATOM 0 HB1 ALA A 347 43.239 66.145 29.650 1.00 8.85 H new ATOM 0 HB2 ALA A 347 42.308 66.362 28.387 1.00 8.85 H new ATOM 0 HB3 ALA A 347 43.882 66.354 28.218 1.00 8.85 H new ATOM 887 N ASP A 348 45.563 68.595 29.007 1.00 8.27 N ANISOU 887 N ASP A 348 1111 886 1145 -189 -202 151 N ATOM 888 CA ASP A 348 46.832 69.020 29.574 1.00 8.64 C ANISOU 888 CA ASP A 348 1224 925 1133 -383 -201 198 C ATOM 889 C ASP A 348 46.706 70.444 30.115 1.00 11.12 C ANISOU 889 C ASP A 348 1774 1042 1408 -450 -174 174 C ATOM 890 O ASP A 348 47.163 70.743 31.211 1.00 11.81 O ANISOU 890 O ASP A 348 1972 1083 1433 -622 -174 140 O ATOM 891 CB ASP A 348 47.926 68.959 28.505 1.00 8.88 C ANISOU 891 CB ASP A 348 1198 1039 1138 -450 -202 305 C ATOM 892 CG ASP A 348 49.301 69.288 29.049 1.00 9.78 C ANISOU 892 CG ASP A 348 1279 1195 1241 -664 -219 379 C ATOM 893 OD1 ASP A 348 49.548 69.082 30.257 1.00 10.98 O ANISOU 893 OD1 ASP A 348 1414 1382 1376 -699 -263 336 O ATOM 894 OD2 ASP A 348 50.134 69.764 28.244 1.00 13.20 O ANISOU 894 OD2 ASP A 348 1709 1647 1660 -717 -177 447 O ATOM 0 H ASP A 348 45.591 68.402 28.169 1.00 8.27 H new ATOM 0 HA ASP A 348 47.071 68.426 30.302 1.00 8.64 H new ATOM 0 HB2 ASP A 348 47.942 68.071 28.115 1.00 8.88 H new ATOM 0 HB3 ASP A 348 47.709 69.579 27.791 1.00 8.88 H new ATOM 899 N LEU A 349 46.093 71.323 29.313 1.00 12.18 N ANISOU 899 N LEU A 349 2022 1041 1565 -321 -160 202 N ATOM 900 CA LEU A 349 45.984 72.740 29.661 1.00 14.21 C ANISOU 900 CA LEU A 349 2553 1045 1801 -355 -100 190 C ATOM 901 C LEU A 349 45.205 72.932 30.965 1.00 13.48 C ANISOU 901 C LEU A 349 2568 821 1734 -313 15 53 C ATOM 902 O LEU A 349 45.442 73.894 31.705 1.00 15.20 O ANISOU 902 O LEU A 349 3032 867 1877 -429 92 -6 O ATOM 903 CB LEU A 349 45.328 73.526 28.510 1.00 16.21 C ANISOU 903 CB LEU A 349 2895 1164 2100 -160 -118 282 C ATOM 904 CG LEU A 349 46.171 73.595 27.234 1.00 21.48 C ANISOU 904 CG LEU A 349 3579 1906 2676 -250 -184 417 C ATOM 905 CD1 LEU A 349 45.416 74.292 26.103 1.00 25.49 C ANISOU 905 CD1 LEU A 349 4208 2288 3190 -54 -245 536 C ATOM 906 CD2 LEU A 349 47.506 74.287 27.486 1.00 28.25 C ANISOU 906 CD2 LEU A 349 4549 2735 3452 -524 -137 436 C ATOM 0 H LEU A 349 45.733 71.115 28.560 1.00 12.18 H new ATOM 0 HA LEU A 349 46.879 73.086 29.800 1.00 14.21 H new ATOM 0 HB2 LEU A 349 44.474 73.118 28.299 1.00 16.21 H new ATOM 0 HB3 LEU A 349 45.144 74.429 28.813 1.00 16.21 H new ATOM 0 HG LEU A 349 46.350 72.682 26.961 1.00 21.48 H new ATOM 0 HD11 LEU A 349 45.974 74.320 25.310 1.00 25.49 H new ATOM 0 HD12 LEU A 349 44.602 73.802 25.907 1.00 25.49 H new ATOM 0 HD13 LEU A 349 45.192 75.196 26.373 1.00 25.49 H new ATOM 0 HD21 LEU A 349 48.017 74.316 26.662 1.00 28.25 H new ATOM 0 HD22 LEU A 349 47.348 75.191 27.799 1.00 28.25 H new ATOM 0 HD23 LEU A 349 48.004 73.795 28.157 1.00 28.25 H new ATOM 918 N ASER A 350 44.280 72.023 31.258 0.82 14.14 N ANISOU 918 N ASER A 350 2459 1009 1906 -160 51 -9 N ATOM 919 N BSER A 350 44.298 72.009 31.242 0.18 15.02 N ANISOU 919 N BSER A 350 2567 1123 2015 -162 48 -7 N ATOM 920 CA ASER A 350 43.522 72.058 32.520 0.82 14.78 C ANISOU 920 CA ASER A 350 2629 984 2002 -130 219 -143 C ATOM 921 CA BSER A 350 43.531 72.039 32.476 0.18 16.70 C ANISOU 921 CA BSER A 350 2864 1233 2247 -128 213 -139 C ATOM 922 C ASER A 350 44.427 71.853 33.728 0.82 13.83 C ANISOU 922 C ASER A 350 2677 886 1692 -422 214 -203 C ATOM 923 C BSER A 350 44.427 71.862 33.699 0.18 17.77 C ANISOU 923 C BSER A 350 3175 1385 2194 -418 213 -201 C ATOM 924 O ASER A 350 44.172 72.384 34.811 0.82 17.82 O ANISOU 924 O ASER A 350 3376 1292 2104 -469 347 -296 O ATOM 925 O BSER A 350 44.180 72.448 34.754 0.18 15.97 O ANISOU 925 O BSER A 350 3145 1049 1873 -464 345 -292 O ATOM 926 CB ASER A 350 42.420 70.982 32.552 0.82 13.09 C ANISOU 926 CB ASER A 350 2134 912 1926 42 262 -179 C ATOM 927 CB BSER A 350 42.472 70.946 32.453 0.18 15.95 C ANISOU 927 CB BSER A 350 2484 1287 2288 40 244 -169 C ATOM 928 OG ASER A 350 42.916 69.694 32.932 0.82 13.85 O ANISOU 928 OG ASER A 350 2109 1208 1945 -102 194 -184 O ATOM 929 OG BSER A 350 41.689 70.991 33.624 0.18 14.21 O ANISOU 929 OG BSER A 350 2342 965 2094 72 462 -293 O ATOM 0 H ASER A 350 44.071 71.370 30.739 0.82 15.02 H new ATOM 0 H BSER A 350 44.110 71.350 30.723 0.18 15.02 H new ATOM 0 HA ASER A 350 43.118 72.939 32.564 0.82 16.70 H new ATOM 0 HA BSER A 350 43.105 72.908 32.540 0.18 16.70 H new ATOM 0 HB2ASER A 350 41.726 71.253 33.173 0.82 15.95 H new ATOM 0 HB2BSER A 350 41.905 71.055 31.674 0.18 15.95 H new ATOM 0 HB3ASER A 350 42.008 70.920 31.676 0.82 15.95 H new ATOM 0 HB3BSER A 350 42.897 70.078 32.375 0.18 15.95 H new ATOM 0 HG ASER A 350 43.409 69.393 32.323 0.82 14.21 H new ATOM 0 HG BSER A 350 40.885 71.122 33.419 0.18 14.21 H new ATOM 940 N GLY A 351 45.458 71.040 33.552 1.00 13.43 N ANISOU 940 N GLY A 351 2476 1046 1580 -576 45 -116 N ATOM 941 CA GLY A 351 46.368 70.758 34.640 1.00 14.64 C ANISOU 941 CA GLY A 351 2665 1325 1573 -775 -31 -101 C ATOM 942 C GLY A 351 45.782 69.879 35.741 1.00 13.65 C ANISOU 942 C GLY A 351 2561 1237 1389 -782 40 -168 C ATOM 943 O GLY A 351 46.336 69.792 36.836 1.00 22.53 O ANISOU 943 O GLY A 351 3802 2420 2338 -932 -7 -145 O ATOM 0 H AGLY A 351 45.645 70.644 32.812 0.82 13.43 H new ATOM 0 H BGLY A 351 45.646 70.633 32.818 0.18 13.43 H new ATOM 0 HA2 GLY A 351 47.158 70.325 34.282 1.00 14.64 H new ATOM 0 HA3 GLY A 351 46.657 71.597 35.031 1.00 14.64 H new ATOM 947 N GLU A 352 44.655 69.243 35.467 1.00 11.76 N ANISOU 947 N GLU A 352 2215 967 1284 -623 159 -236 N ATOM 948 CA GLU A 352 43.881 68.595 36.522 1.00 12.31 C ANISOU 948 CA GLU A 352 2343 1029 1307 -626 309 -324 C ATOM 949 C GLU A 352 43.492 67.164 36.202 1.00 11.14 C ANISOU 949 C GLU A 352 1913 1050 1270 -529 282 -279 C ATOM 950 O GLU A 352 42.636 66.589 36.889 1.00 15.89 O ANISOU 950 O GLU A 352 2519 1639 1877 -510 443 -348 O ATOM 951 CB GLU A 352 42.608 69.400 36.815 1.00 14.14 C ANISOU 951 CB GLU A 352 2686 1065 1622 -465 589 -457 C ATOM 952 CG GLU A 352 42.877 70.780 37.461 1.00 17.26 C ANISOU 952 CG GLU A 352 3368 1317 1871 -539 658 -475 C ATOM 953 CD GLU A 352 41.658 71.693 37.506 1.00 44.07 C ANISOU 953 CD GLU A 352 6802 4526 5415 -319 920 -549 C ATOM 954 OE1 GLU A 352 40.521 71.209 37.620 1.00 37.24 O ANISOU 954 OE1 GLU A 352 5760 3676 4713 -156 1090 -588 O ATOM 955 OE2 GLU A 352 41.844 72.919 37.421 1.00 50.31 O ANISOU 955 OE2 GLU A 352 7774 5166 6175 -310 950 -550 O ATOM 0 H GLU A 352 44.318 69.173 34.679 1.00 11.76 H new ATOM 0 HA GLU A 352 44.462 68.569 37.298 1.00 12.31 H new ATOM 0 HB2 GLU A 352 42.120 69.530 35.987 1.00 14.14 H new ATOM 0 HB3 GLU A 352 42.036 68.883 37.404 1.00 14.14 H new ATOM 0 HG2 GLU A 352 43.202 70.646 38.365 1.00 17.26 H new ATOM 0 HG3 GLU A 352 43.584 71.225 36.968 1.00 17.26 H new ATOM 962 N LEU A 353 44.059 66.598 35.144 1.00 9.74 N ANISOU 962 N LEU A 353 1517 1003 1179 -476 121 -176 N ATOM 963 CA LEU A 353 43.812 65.201 34.763 1.00 8.59 C ANISOU 963 CA LEU A 353 1164 979 1121 -410 98 -143 C ATOM 964 C LEU A 353 45.136 64.481 34.578 1.00 9.74 C ANISOU 964 C LEU A 353 1242 1229 1231 -484 -60 -12 C ATOM 965 O LEU A 353 46.136 65.104 34.251 1.00 11.72 O ANISOU 965 O LEU A 353 1497 1501 1454 -546 -161 63 O ATOM 966 CB LEU A 353 43.010 65.103 33.455 1.00 9.62 C ANISOU 966 CB LEU A 353 1098 1144 1413 -238 96 -161 C ATOM 967 CG LEU A 353 41.602 65.696 33.508 1.00 11.58 C ANISOU 967 CG LEU A 353 1296 1319 1784 -112 231 -247 C ATOM 968 CD1 LEU A 353 41.083 65.937 32.098 1.00 16.17 C ANISOU 968 CD1 LEU A 353 1710 1943 2491 33 123 -208 C ATOM 969 CD2 LEU A 353 40.635 64.783 34.265 1.00 13.97 C ANISOU 969 CD2 LEU A 353 1515 1645 2145 -133 380 -315 C ATOM 0 H LEU A 353 44.602 67.011 34.620 1.00 9.74 H new ATOM 0 HA LEU A 353 43.296 64.789 35.474 1.00 8.59 H new ATOM 0 HB2 LEU A 353 43.508 65.551 32.753 1.00 9.62 H new ATOM 0 HB3 LEU A 353 42.943 64.169 33.203 1.00 9.62 H new ATOM 0 HG LEU A 353 41.655 66.539 33.984 1.00 11.58 H new ATOM 0 HD11 LEU A 353 40.190 66.313 32.142 1.00 16.17 H new ATOM 0 HD12 LEU A 353 41.672 66.555 31.638 1.00 16.17 H new ATOM 0 HD13 LEU A 353 41.056 65.096 31.615 1.00 16.17 H new ATOM 0 HD21 LEU A 353 39.753 65.187 34.280 1.00 13.97 H new ATOM 0 HD22 LEU A 353 40.588 63.922 33.821 1.00 13.97 H new ATOM 0 HD23 LEU A 353 40.950 64.661 35.174 1.00 13.97 H new ATOM 981 N AARG A 354 45.136 63.171 34.799 0.61 7.24 N ANISOU 981 N AARG A 354 853 961 936 -473 -59 27 N ATOM 982 N BARG A 354 45.134 63.169 34.781 0.39 8.21 N ANISOU 982 N BARG A 354 974 1086 1061 -472 -59 27 N ATOM 983 CA AARG A 354 46.317 62.359 34.569 0.61 8.57 C ANISOU 983 CA AARG A 354 923 1203 1132 -465 -166 167 C ATOM 984 CA BARG A 354 46.333 62.376 34.580 0.39 12.18 C ANISOU 984 CA BARG A 354 1381 1659 1587 -467 -168 168 C ATOM 985 C AARG A 354 45.927 60.974 34.106 0.61 6.74 C ANISOU 985 C AARG A 354 600 966 995 -373 -99 163 C ATOM 986 C BARG A 354 45.963 60.965 34.173 0.39 7.22 C ANISOU 986 C BARG A 354 665 1027 1051 -378 -103 168 C ATOM 987 O AARG A 354 44.800 60.517 34.303 0.61 6.71 O ANISOU 987 O AARG A 354 627 919 1004 -370 2 66 O ATOM 988 O BARG A 354 44.862 60.490 34.455 0.39 7.00 O ANISOU 988 O BARG A 354 676 954 1029 -382 -2 76 O ATOM 989 CB AARG A 354 47.181 62.248 35.817 0.61 15.06 C ANISOU 989 CB AARG A 354 1842 2048 1833 -598 -285 286 C ATOM 990 CB BARG A 354 47.195 62.353 35.839 0.39 20.92 C ANISOU 990 CB BARG A 354 2593 2788 2566 -605 -288 282 C ATOM 991 CG AARG A 354 46.489 61.666 36.999 0.61 18.26 C ANISOU 991 CG AARG A 354 2414 2399 2125 -695 -233 263 C ATOM 992 CG BARG A 354 46.653 61.508 36.960 0.39 23.63 C ANISOU 992 CG BARG A 354 3070 3090 2818 -687 -254 291 C ATOM 993 CD AARG A 354 47.489 61.318 38.113 0.61 24.33 C ANISOU 993 CD AARG A 354 3279 3211 2757 -840 -425 443 C ATOM 994 CD BARG A 354 47.199 61.981 38.306 0.39 28.26 C ANISOU 994 CD BARG A 354 3877 3680 3182 -903 -387 362 C ATOM 995 NE AARG A 354 48.097 62.504 38.705 0.61 21.22 N ANISOU 995 NE AARG A 354 3027 2833 2203 -999 -536 457 N ATOM 996 NE BARG A 354 48.649 62.118 38.325 0.39 27.30 N ANISOU 996 NE BARG A 354 3645 3647 3080 -933 -594 551 N ATOM 997 CZ AARG A 354 49.407 62.732 38.806 0.61 30.62 C ANISOU 997 CZ AARG A 354 4117 4072 3447 -1040 -677 616 C ATOM 998 CZ BARG A 354 49.308 63.015 39.057 0.39 28.10 C ANISOU 998 CZ BARG A 354 3876 3733 3068 -1091 -671 591 C ATOM 999 NH1AARG A 354 50.303 61.855 38.354 0.61 24.50 N ANISOU 999 NH1AARG A 354 3088 3361 2858 -924 -746 768 N ATOM 1000 NH1BARG A 354 50.632 63.065 39.001 0.39 30.92 N ANISOU 1000 NH1BARG A 354 4074 4156 3519 -1108 -801 748 N ATOM 1001 NH2AARG A 354 49.828 63.855 39.370 0.61 33.72 N ANISOU 1001 NH2AARG A 354 4665 4437 3711 -1196 -719 608 N ATOM 1002 NH2BARG A 354 48.654 63.870 39.838 0.39 31.56 N ANISOU 1002 NH2BARG A 354 4607 4081 3304 -1233 -589 464 N ATOM 0 H AARG A 354 44.454 62.732 35.085 0.61 8.21 H new ATOM 0 H BARG A 354 44.446 62.720 35.036 0.39 8.21 H new ATOM 0 HA AARG A 354 46.835 62.801 33.878 0.61 12.18 H new ATOM 0 HA BARG A 354 46.850 62.786 33.869 0.39 12.18 H new ATOM 0 HB2AARG A 354 47.957 61.704 35.611 0.61 20.92 H new ATOM 0 HB2BARG A 354 48.079 62.029 35.605 0.39 20.92 H new ATOM 0 HB3AARG A 354 47.507 63.131 36.050 0.61 20.92 H new ATOM 0 HB3BARG A 354 47.302 63.262 36.159 0.39 20.92 H new ATOM 0 HG2AARG A 354 45.833 62.296 37.335 0.61 23.63 H new ATOM 0 HG2BARG A 354 45.684 61.552 36.965 0.39 23.63 H new ATOM 0 HG3AARG A 354 46.006 60.868 36.734 0.61 23.63 H new ATOM 0 HG3BARG A 354 46.894 60.579 36.817 0.39 23.63 H new ATOM 0 HD2AARG A 354 47.035 60.811 38.804 0.61 28.26 H new ATOM 0 HD2BARG A 354 46.797 62.835 38.529 0.39 28.26 H new ATOM 0 HD3AARG A 354 48.185 60.747 37.752 0.61 28.26 H new ATOM 0 HD3BARG A 354 46.931 61.353 38.995 0.39 28.26 H new ATOM 0 HE AARG A 354 47.567 63.106 39.015 0.61 27.30 H new ATOM 0 HE BARG A 354 49.110 61.585 37.832 0.39 27.30 H new ATOM 0 HH11AARG A 354 50.041 61.123 37.987 0.61 30.92 H new ATOM 0 HH11BARG A 354 51.062 62.520 38.494 0.39 30.92 H new ATOM 0 HH12AARG A 354 51.143 62.022 38.429 0.61 30.92 H new ATOM 0 HH12BARG A 354 51.061 63.643 39.472 0.39 30.92 H new ATOM 0 HH21AARG A 354 49.258 64.427 39.666 0.61 31.56 H new ATOM 0 HH21BARG A 354 47.795 63.848 39.875 0.39 31.56 H new ATOM 0 HH22AARG A 354 50.671 64.011 39.440 0.61 31.56 H new ATOM 0 HH22BARG A 354 49.090 64.445 40.306 0.39 31.56 H new ATOM 1029 N LYS A 355 46.904 60.320 33.489 1.00 7.06 N ANISOU 1029 N LYS A 355 540 1034 1109 -294 -129 262 N ATOM 1030 CA LYS A 355 46.796 58.912 33.153 1.00 7.30 C ANISOU 1030 CA LYS A 355 541 1010 1222 -213 -51 275 C ATOM 1031 C LYS A 355 46.467 58.153 34.428 1.00 8.09 C ANISOU 1031 C LYS A 355 752 1052 1270 -279 -51 322 C ATOM 1032 O LYS A 355 47.113 58.364 35.479 1.00 9.03 O ANISOU 1032 O LYS A 355 920 1201 1310 -354 -167 451 O ATOM 1033 CB LYS A 355 48.100 58.388 32.533 1.00 8.13 C ANISOU 1033 CB LYS A 355 524 1126 1437 -99 -41 408 C ATOM 1034 CG LYS A 355 48.078 56.916 32.200 1.00 12.65 C ANISOU 1034 CG LYS A 355 1131 1580 2097 13 85 413 C ATOM 1035 CD LYS A 355 49.381 56.410 31.520 1.00 21.92 C ANISOU 1035 CD LYS A 355 2172 2733 3422 178 173 539 C ATOM 1036 CE LYS A 355 50.358 55.835 32.540 1.00 49.59 C ANISOU 1036 CE LYS A 355 5584 6233 7026 244 81 772 C ATOM 1037 NZ LYS A 355 51.404 54.949 31.923 1.00 46.90 N ANISOU 1037 NZ LYS A 355 5189 5815 6815 404 233 835 N ATOM 0 H ALYS A 355 47.648 60.683 33.254 0.61 7.06 H new ATOM 0 H BLYS A 355 47.626 60.693 33.207 0.39 7.06 H new ATOM 0 HA LYS A 355 46.097 58.784 32.493 1.00 7.30 H new ATOM 0 HB2 LYS A 355 48.286 58.890 31.724 1.00 8.13 H new ATOM 0 HB3 LYS A 355 48.831 58.560 33.148 1.00 8.13 H new ATOM 0 HG2 LYS A 355 47.930 56.410 33.015 1.00 12.65 H new ATOM 0 HG3 LYS A 355 47.326 56.736 31.614 1.00 12.65 H new ATOM 0 HD2 LYS A 355 49.162 55.731 30.863 1.00 21.92 H new ATOM 0 HD3 LYS A 355 49.803 57.141 31.043 1.00 21.92 H new ATOM 0 HE2 LYS A 355 50.795 56.564 33.008 1.00 49.59 H new ATOM 0 HE3 LYS A 355 49.863 55.328 33.203 1.00 49.59 H new ATOM 0 HZ1 LYS A 355 51.996 54.712 32.544 1.00 46.90 H new ATOM 0 HZ2 LYS A 355 51.017 54.221 31.589 1.00 46.90 H new ATOM 0 HZ3 LYS A 355 51.819 55.390 31.271 1.00 46.90 H new ATOM 1051 N GLY A 356 45.477 57.265 34.341 1.00 7.66 N ANISOU 1051 N GLY A 356 759 916 1238 -284 66 229 N ATOM 1052 CA GLY A 356 45.032 56.508 35.487 1.00 8.68 C ANISOU 1052 CA GLY A 356 1027 968 1304 -369 110 268 C ATOM 1053 C GLY A 356 43.790 57.045 36.169 1.00 8.73 C ANISOU 1053 C GLY A 356 1105 982 1229 -497 208 140 C ATOM 1054 O GLY A 356 43.208 56.393 37.037 1.00 9.82 O ANISOU 1054 O GLY A 356 1373 1051 1309 -594 307 145 O ATOM 0 H GLY A 356 45.051 57.091 33.614 1.00 7.66 H new ATOM 0 HA2 GLY A 356 44.862 55.595 35.208 1.00 8.68 H new ATOM 0 HA3 GLY A 356 45.752 56.476 36.136 1.00 8.68 H new ATOM 1058 N ASP A 357 43.380 58.256 35.796 1.00 5.88 N ANISOU 1058 N ASP A 357 843 783 609 -123 -155 308 N ATOM 1059 CA ASP A 357 42.081 58.756 36.203 1.00 6.03 C ANISOU 1059 CA ASP A 357 827 740 722 -167 -103 348 C ATOM 1060 C ASP A 357 40.959 57.970 35.528 1.00 6.16 C ANISOU 1060 C ASP A 357 850 742 748 -217 -105 393 C ATOM 1061 O ASP A 357 40.979 57.734 34.310 1.00 9.20 O ANISOU 1061 O ASP A 357 1198 1172 1125 -229 -149 404 O ATOM 1062 CB ASP A 357 41.899 60.233 35.830 1.00 6.13 C ANISOU 1062 CB ASP A 357 724 743 863 -193 -92 381 C ATOM 1063 CG ASP A 357 42.609 61.197 36.775 1.00 6.30 C ANISOU 1063 CG ASP A 357 723 748 921 -167 -64 309 C ATOM 1064 OD1 ASP A 357 42.868 60.827 37.946 1.00 7.52 O ANISOU 1064 OD1 ASP A 357 941 906 1009 -126 -44 235 O ATOM 1065 OD2 ASP A 357 42.869 62.364 36.365 1.00 7.00 O ANISOU 1065 OD2 ASP A 357 736 817 1108 -191 -61 327 O ATOM 0 H ASP A 357 43.840 58.797 35.310 1.00 5.88 H new ATOM 0 HA ASP A 357 42.039 58.653 37.167 1.00 6.03 H new ATOM 0 HB2 ASP A 357 42.230 60.374 34.929 1.00 6.13 H new ATOM 0 HB3 ASP A 357 40.952 60.441 35.820 1.00 6.13 H new ATOM 1070 N GLN A 358 39.955 57.626 36.329 1.00 6.39 N ANISOU 1070 N GLN A 358 909 723 796 -242 -47 389 N ATOM 1071 CA GLN A 358 38.708 57.080 35.816 1.00 8.11 C ANISOU 1071 CA GLN A 358 1094 936 1050 -294 -33 395 C ATOM 1072 C GLN A 358 37.742 58.225 35.577 1.00 7.03 C ANISOU 1072 C GLN A 358 827 816 1030 -306 -22 416 C ATOM 1073 O GLN A 358 37.618 59.118 36.406 1.00 8.41 O ANISOU 1073 O GLN A 358 967 964 1263 -290 23 409 O ATOM 1074 CB GLN A 358 38.104 56.072 36.782 1.00 11.31 C ANISOU 1074 CB GLN A 358 1593 1286 1418 -323 38 377 C ATOM 1075 CG GLN A 358 36.885 55.369 36.173 1.00 9.18 C ANISOU 1075 CG GLN A 358 1286 1015 1189 -399 51 375 C ATOM 1076 CD GLN A 358 36.158 54.494 37.150 1.00 13.83 C ANISOU 1076 CD GLN A 358 1939 1548 1768 -440 138 364 C ATOM 1077 OE1 GLN A 358 36.633 54.225 38.261 1.00 12.52 O ANISOU 1077 OE1 GLN A 358 1870 1351 1537 -404 174 368 O ATOM 1078 NE2 GLN A 358 34.984 54.044 36.745 1.00 11.99 N ANISOU 1078 NE2 GLN A 358 1645 1316 1594 -521 163 353 N ATOM 0 H GLN A 358 39.980 57.703 37.185 1.00 6.39 H new ATOM 0 HA GLN A 358 38.885 56.612 34.985 1.00 8.11 H new ATOM 0 HB2 GLN A 358 38.773 55.412 37.022 1.00 11.31 H new ATOM 0 HB3 GLN A 358 37.843 56.523 37.600 1.00 11.31 H new ATOM 0 HG2 GLN A 358 36.272 56.037 35.828 1.00 9.18 H new ATOM 0 HG3 GLN A 358 37.172 54.832 35.418 1.00 9.18 H new ATOM 0 HE21 GLN A 358 34.689 54.254 35.965 1.00 11.99 H new ATOM 0 HE22 GLN A 358 34.515 53.541 37.261 1.00 11.99 H new ATOM 1087 N AILE A 359 37.094 58.223 34.416 0.50 7.17 N ANISOU 1087 N AILE A 359 769 877 1079 -327 -73 447 N ATOM 1088 N BILE A 359 37.093 58.192 34.413 0.50 7.17 N ANISOU 1088 N BILE A 359 771 877 1078 -328 -73 446 N ATOM 1089 CA AILE A 359 36.105 59.240 34.111 0.50 7.69 C ANISOU 1089 CA AILE A 359 715 957 1251 -319 -79 482 C ATOM 1090 CA BILE A 359 36.081 59.169 34.047 0.50 7.70 C ANISOU 1090 CA BILE A 359 716 961 1249 -322 -82 482 C ATOM 1091 C AILE A 359 34.777 58.701 34.593 0.50 8.41 C ANISOU 1091 C AILE A 359 771 1046 1377 -375 -23 447 C ATOM 1092 C BILE A 359 34.764 58.668 34.603 0.50 8.41 C ANISOU 1092 C BILE A 359 774 1047 1377 -376 -21 445 C ATOM 1093 O AILE A 359 34.234 57.760 34.021 0.50 13.67 O ANISOU 1093 O AILE A 359 1435 1741 2017 -432 -40 435 O ATOM 1094 O BILE A 359 34.203 57.709 34.083 0.50 8.81 O ANISOU 1094 O BILE A 359 823 1124 1401 -435 -34 431 O ATOM 1095 CB AILE A 359 36.070 59.595 32.622 0.50 7.89 C ANISOU 1095 CB AILE A 359 672 1043 1284 -309 -169 556 C ATOM 1096 CB BILE A 359 35.979 59.359 32.519 0.50 10.40 C ANISOU 1096 CB BILE A 359 993 1369 1591 -321 -173 553 C ATOM 1097 CG1AILE A 359 37.389 60.267 32.218 0.50 7.42 C ANISOU 1097 CG1AILE A 359 635 989 1196 -268 -200 583 C ATOM 1098 CG1BILE A 359 37.346 59.649 31.893 0.50 7.41 C ANISOU 1098 CG1BILE A 359 648 1014 1152 -291 -218 580 C ATOM 1099 CG2AILE A 359 34.852 60.490 32.329 0.50 8.77 C ANISOU 1099 CG2AILE A 359 660 1163 1508 -292 -182 605 C ATOM 1100 CG2BILE A 359 34.966 60.456 32.199 0.50 12.62 C ANISOU 1100 CG2BILE A 359 1154 1656 1986 -293 -190 612 C ATOM 1101 CD1AILE A 359 37.473 60.596 30.754 0.50 11.39 C ANISOU 1101 CD1AILE A 359 1078 1564 1684 -272 -277 670 C ATOM 1102 CD1BILE A 359 37.933 60.955 32.315 0.50 9.94 C ANISOU 1102 CD1BILE A 359 952 1291 1535 -241 -194 588 C ATOM 0 H AILE A 359 37.215 57.641 33.795 0.50 7.17 H new ATOM 0 H BILE A 359 37.233 57.594 33.811 0.50 7.17 H new ATOM 0 HA AILE A 359 36.326 60.072 34.558 0.50 7.70 H new ATOM 0 HA BILE A 359 36.317 60.036 34.413 0.50 7.70 H new ATOM 0 HB AILE A 359 35.976 58.789 32.091 0.50 10.40 H new ATOM 0 HB BILE A 359 35.666 58.529 32.126 0.50 10.40 H new ATOM 0 HG12AILE A 359 37.498 61.082 32.732 0.50 7.41 H new ATOM 0 HG12BILE A 359 37.959 58.936 32.130 0.50 7.41 H new ATOM 0 HG13AILE A 359 38.126 59.682 32.453 0.50 7.41 H new ATOM 0 HG13BILE A 359 37.259 59.639 30.927 0.50 7.41 H new ATOM 0 HG21AILE A 359 34.833 60.713 31.385 0.50 12.62 H new ATOM 0 HG21BILE A 359 34.906 60.571 31.238 0.50 12.62 H new ATOM 0 HG22AILE A 359 34.039 60.017 32.565 0.50 12.62 H new ATOM 0 HG22BILE A 359 34.097 60.206 32.549 0.50 12.62 H new ATOM 0 HG23AILE A 359 34.916 61.305 32.852 0.50 12.62 H new ATOM 0 HG23BILE A 359 35.251 61.289 32.607 0.50 12.62 H new ATOM 0 HD11AILE A 359 38.326 61.016 30.565 0.50 9.94 H new ATOM 0 HD11BILE A 359 38.794 61.077 31.885 0.50 9.94 H new ATOM 0 HD12AILE A 359 37.392 59.781 30.234 0.50 9.94 H new ATOM 0 HD12BILE A 359 37.338 61.676 32.056 0.50 9.94 H new ATOM 0 HD13AILE A 359 36.755 61.203 30.517 0.50 9.94 H new ATOM 0 HD13BILE A 359 38.049 60.962 33.278 0.50 9.94 H new ATOM 1125 N LEU A 360 34.259 59.295 35.654 1.00 8.76 N ANISOU 1125 N LEU A 360 781 1063 1484 -369 51 420 N ATOM 1126 CA LEU A 360 33.027 58.819 36.263 1.00 9.63 C ANISOU 1126 CA LEU A 360 851 1187 1622 -434 127 373 C ATOM 1127 C LEU A 360 31.806 59.351 35.530 1.00 10.53 C ANISOU 1127 C LEU A 360 804 1360 1834 -430 92 379 C ATOM 1128 O LEU A 360 30.776 58.693 35.450 1.00 11.38 O ANISOU 1128 O LEU A 360 859 1513 1951 -501 121 332 O ATOM 1129 CB LEU A 360 32.958 59.228 37.725 1.00 10.12 C ANISOU 1129 CB LEU A 360 926 1219 1699 -433 226 340 C ATOM 1130 CG LEU A 360 34.143 58.804 38.586 1.00 11.64 C ANISOU 1130 CG LEU A 360 1269 1364 1791 -424 258 343 C ATOM 1131 CD1 LEU A 360 33.862 59.218 40.024 1.00 11.80 C ANISOU 1131 CD1 LEU A 360 1282 1375 1828 -422 373 308 C ATOM 1132 CD2 LEU A 360 34.409 57.330 38.498 1.00 12.39 C ANISOU 1132 CD2 LEU A 360 1501 1430 1775 -473 267 343 C ATOM 0 H ALEU A 360 34.607 59.980 36.040 0.50 8.76 H new ATOM 0 H BLEU A 360 34.607 59.988 36.026 0.50 8.76 H new ATOM 0 HA LEU A 360 33.029 57.851 36.200 1.00 9.63 H new ATOM 0 HB2 LEU A 360 32.875 60.193 37.770 1.00 10.12 H new ATOM 0 HB3 LEU A 360 32.149 58.856 38.110 1.00 10.12 H new ATOM 0 HG LEU A 360 34.943 59.245 38.259 1.00 11.64 H new ATOM 0 HD11 LEU A 360 34.607 58.956 40.588 1.00 11.80 H new ATOM 0 HD12 LEU A 360 33.747 60.180 40.067 1.00 11.80 H new ATOM 0 HD13 LEU A 360 33.053 58.782 40.334 1.00 11.80 H new ATOM 0 HD21 LEU A 360 35.168 57.104 39.058 1.00 12.39 H new ATOM 0 HD22 LEU A 360 33.627 56.841 38.800 1.00 12.39 H new ATOM 0 HD23 LEU A 360 34.604 57.091 37.579 1.00 12.39 H new ATOM 1144 N SER A 361 31.915 60.574 35.024 1.00 10.55 N ANISOU 1144 N SER A 361 730 1360 1918 -347 32 433 N ATOM 1145 CA SER A 361 30.823 61.188 34.267 1.00 11.60 C ANISOU 1145 CA SER A 361 716 1548 2142 -311 -20 453 C ATOM 1146 C SER A 361 31.309 62.310 33.371 1.00 11.57 C ANISOU 1146 C SER A 361 688 1520 2190 -222 -108 555 C ATOM 1147 O SER A 361 32.359 62.912 33.602 1.00 10.90 O ANISOU 1147 O SER A 361 666 1361 2115 -191 -103 596 O ATOM 1148 CB SER A 361 29.725 61.736 35.193 1.00 12.64 C ANISOU 1148 CB SER A 361 737 1693 2374 -295 56 385 C ATOM 1149 OG SER A 361 30.211 62.711 36.094 1.00 12.47 O ANISOU 1149 OG SER A 361 727 1591 2420 -233 106 382 O ATOM 0 H SER A 361 32.614 61.069 35.107 1.00 10.55 H new ATOM 0 HA SER A 361 30.455 60.481 33.715 1.00 11.60 H new ATOM 0 HB2 SER A 361 29.016 62.122 34.655 1.00 12.64 H new ATOM 0 HB3 SER A 361 29.334 61.003 35.694 1.00 12.64 H new ATOM 0 HG SER A 361 30.247 62.385 36.867 1.00 12.47 H new ATOM 1155 N AVAL A 362 30.527 62.567 32.321 0.80 12.53 N ANISOU 1155 N AVAL A 362 720 1707 2334 -188 -186 592 N ATOM 1156 N BVAL A 362 30.534 62.566 32.322 0.20 12.52 N ANISOU 1156 N BVAL A 362 720 1706 2333 -188 -186 592 N ATOM 1157 CA AVAL A 362 30.757 63.658 31.385 0.80 13.01 C ANISOU 1157 CA AVAL A 362 766 1745 2430 -103 -263 700 C ATOM 1158 CA BVAL A 362 30.773 63.690 31.434 0.20 12.99 C ANISOU 1158 CA BVAL A 362 765 1739 2432 -102 -260 699 C ATOM 1159 C AVAL A 362 29.461 64.459 31.318 0.80 14.58 C ANISOU 1159 C AVAL A 362 838 1970 2732 -21 -285 680 C ATOM 1160 C BVAL A 362 29.467 64.462 31.310 0.20 14.58 C ANISOU 1160 C BVAL A 362 839 1970 2731 -20 -285 681 C ATOM 1161 O AVAL A 362 28.425 63.912 30.972 0.80 15.46 O ANISOU 1161 O AVAL A 362 860 2190 2823 -35 -311 619 O ATOM 1162 O BVAL A 362 28.440 63.908 30.928 0.20 15.45 O ANISOU 1162 O BVAL A 362 862 2191 2820 -35 -315 622 O ATOM 1163 CB AVAL A 362 31.144 63.139 29.978 0.80 12.94 C ANISOU 1163 CB AVAL A 362 806 1814 2296 -127 -344 759 C ATOM 1164 CB BVAL A 362 31.294 63.234 30.055 0.20 12.82 C ANISOU 1164 CB BVAL A 362 801 1785 2287 -125 -339 767 C ATOM 1165 CG1AVAL A 362 31.220 64.288 28.975 0.80 13.85 C ANISOU 1165 CG1AVAL A 362 920 1918 2425 -49 -403 864 C ATOM 1166 CG1BVAL A 362 32.644 62.566 30.194 0.20 25.00 C ANISOU 1166 CG1BVAL A 362 2460 3301 3736 -186 -316 774 C ATOM 1167 CG2AVAL A 362 32.465 62.414 30.013 0.80 19.69 C ANISOU 1167 CG2AVAL A 362 1778 2650 3051 -191 -327 768 C ATOM 1168 CG2BVAL A 362 30.312 62.289 29.379 0.20 13.58 C ANISOU 1168 CG2BVAL A 362 832 2004 2322 -160 -383 702 C ATOM 0 H AVAL A 362 29.832 62.097 32.132 0.80 12.52 H new ATOM 0 H BVAL A 362 29.852 62.088 32.107 0.20 12.52 H new ATOM 0 HA AVAL A 362 31.499 64.205 31.688 0.80 12.99 H new ATOM 0 HA BVAL A 362 31.467 64.259 31.802 0.20 12.99 H new ATOM 0 HB AVAL A 362 30.453 62.519 29.697 0.80 12.82 H new ATOM 0 HB BVAL A 362 31.387 64.023 29.498 0.20 12.82 H new ATOM 0 HG11AVAL A 362 31.463 63.941 28.103 0.80 25.00 H new ATOM 0 HG11BVAL A 362 32.958 62.285 29.320 0.20 25.00 H new ATOM 0 HG12AVAL A 362 30.357 64.726 28.919 0.80 25.00 H new ATOM 0 HG12BVAL A 362 33.277 63.192 30.579 0.20 25.00 H new ATOM 0 HG13AVAL A 362 31.889 64.928 29.266 0.80 25.00 H new ATOM 0 HG13BVAL A 362 32.564 61.791 30.772 0.20 25.00 H new ATOM 0 HG21AVAL A 362 32.685 62.099 29.122 0.80 13.58 H new ATOM 0 HG21BVAL A 362 30.664 62.019 28.516 0.20 13.58 H new ATOM 0 HG22AVAL A 362 33.158 63.018 30.322 0.80 13.58 H new ATOM 0 HG22BVAL A 362 30.183 61.505 29.935 0.20 13.58 H new ATOM 0 HG23AVAL A 362 32.403 61.657 30.617 0.80 13.58 H new ATOM 0 HG23BVAL A 362 29.462 62.740 29.254 0.20 13.58 H new ATOM 1187 N ASN A 363 29.514 65.744 31.653 1.00 15.13 N ANISOU 1187 N ASN A 363 895 1940 2914 68 -274 717 N ATOM 1188 CA ASN A 363 28.321 66.596 31.662 1.00 16.83 C ANISOU 1188 CA ASN A 363 996 2168 3230 172 -296 688 C ATOM 1189 C ASN A 363 27.141 65.908 32.353 1.00 18.87 C ANISOU 1189 C ASN A 363 1132 2533 3505 138 -247 551 C ATOM 1190 O ASN A 363 26.004 65.949 31.873 1.00 18.89 O ANISOU 1190 O ASN A 363 1014 2643 3520 187 -298 511 O ATOM 1191 CB ASN A 363 27.923 66.990 30.238 1.00 18.07 C ANISOU 1191 CB ASN A 363 1137 2387 3341 244 -409 772 C ATOM 1192 CG ASN A 363 28.928 67.917 29.593 1.00 19.30 C ANISOU 1192 CG ASN A 363 1409 2438 3488 277 -435 902 C ATOM 1193 OD1 ASN A 363 29.928 68.277 30.201 1.00 18.22 O ANISOU 1193 OD1 ASN A 363 1350 2183 3391 242 -373 921 O ATOM 1194 ND2 ASN A 363 28.685 68.281 28.345 1.00 20.68 N ANISOU 1194 ND2 ASN A 363 1594 2665 3599 338 -521 981 N ATOM 0 H AASN A 363 30.238 66.148 31.881 0.80 15.13 H new ATOM 0 H BASN A 363 30.236 66.148 31.888 0.20 15.13 H new ATOM 0 HA ASN A 363 28.546 67.395 32.164 1.00 16.83 H new ATOM 0 HB2 ASN A 363 27.832 66.190 29.697 1.00 18.07 H new ATOM 0 HB3 ASN A 363 27.054 67.421 30.255 1.00 18.07 H new ATOM 0 HD21 ASN A 363 29.240 68.790 27.930 1.00 20.68 H new ATOM 0 HD22 ASN A 363 27.972 68.009 27.949 1.00 20.68 H new ATOM 1201 N GLY A 364 27.430 65.249 33.467 1.00 16.82 N ANISOU 1201 N GLY A 364 904 2255 3232 49 -142 475 N ATOM 1202 CA GLY A 364 26.393 64.607 34.255 1.00 21.36 C ANISOU 1202 CA GLY A 364 1383 2926 3809 -12 -63 348 C ATOM 1203 C GLY A 364 25.932 63.241 33.778 1.00 20.00 C ANISOU 1203 C GLY A 364 1189 2874 3536 -132 -71 300 C ATOM 1204 O GLY A 364 25.088 62.604 34.426 1.00 23.79 O ANISOU 1204 O GLY A 364 1597 3437 4006 -215 9 199 O ATOM 0 H GLY A 364 28.225 65.163 33.784 1.00 16.82 H new ATOM 0 HA2 GLY A 364 26.714 64.519 35.166 1.00 21.36 H new ATOM 0 HA3 GLY A 364 25.623 65.196 34.282 1.00 21.36 H new ATOM 1208 N VAL A 365 26.456 62.791 32.645 1.00 16.68 N ANISOU 1208 N VAL A 365 830 2468 3038 -149 -161 368 N ATOM 1209 CA VAL A 365 26.174 61.440 32.157 1.00 17.59 C ANISOU 1209 CA VAL A 365 946 2670 3066 -268 -168 309 C ATOM 1210 C VAL A 365 27.138 60.431 32.785 1.00 15.30 C ANISOU 1210 C VAL A 365 815 2304 2696 -378 -91 304 C ATOM 1211 O VAL A 365 28.352 60.505 32.602 1.00 14.04 O ANISOU 1211 O VAL A 365 781 2069 2486 -355 -117 384 O ATOM 1212 CB VAL A 365 26.239 61.374 30.623 1.00 32.12 C ANISOU 1212 CB VAL A 365 2780 4575 4850 -228 -301 364 C ATOM 1213 CG1 VAL A 365 25.981 59.943 30.138 1.00 22.41 C ANISOU 1213 CG1 VAL A 365 1550 3416 3549 -353 -306 279 C ATOM 1214 CG2 VAL A 365 25.222 62.326 30.026 1.00 33.52 C ANISOU 1214 CG2 VAL A 365 2812 4833 5090 -106 -383 362 C ATOM 0 H VAL A 365 26.979 63.251 32.140 1.00 16.68 H new ATOM 0 HA VAL A 365 25.270 61.209 32.423 1.00 17.59 H new ATOM 0 HB VAL A 365 27.126 61.638 30.333 1.00 32.12 H new ATOM 0 HG11 VAL A 365 26.025 59.917 29.169 1.00 22.41 H new ATOM 0 HG12 VAL A 365 26.653 59.350 30.508 1.00 22.41 H new ATOM 0 HG13 VAL A 365 25.101 59.656 30.429 1.00 22.41 H new ATOM 0 HG21 VAL A 365 25.266 62.282 29.058 1.00 33.52 H new ATOM 0 HG22 VAL A 365 24.332 62.076 30.321 1.00 33.52 H new ATOM 0 HG23 VAL A 365 25.416 63.231 30.317 1.00 33.52 H new ATOM 1224 N ASP A 366 26.562 59.461 33.499 1.00 19.06 N ANISOU 1224 N ASP A 366 1284 2806 3153 -499 7 205 N ATOM 1225 CA ASP A 366 27.312 58.458 34.243 1.00 19.90 C ANISOU 1225 CA ASP A 366 1552 2829 3180 -596 95 193 C ATOM 1226 C ASP A 366 27.999 57.501 33.273 1.00 15.02 C ANISOU 1226 C ASP A 366 1029 2186 2490 -632 28 217 C ATOM 1227 O ASP A 366 27.344 56.884 32.441 1.00 15.90 O ANISOU 1227 O ASP A 366 1069 2359 2612 -681 -16 168 O ATOM 1228 CB ASP A 366 26.346 57.721 35.193 1.00 21.67 C ANISOU 1228 CB ASP A 366 1744 3099 3391 -729 221 98 C ATOM 1229 CG ASP A 366 27.006 56.609 35.987 1.00 18.53 C ANISOU 1229 CG ASP A 366 1554 2596 2891 -807 302 106 C ATOM 1230 OD1 ASP A 366 28.234 56.511 35.986 1.00 18.50 O ANISOU 1230 OD1 ASP A 366 1678 2483 2869 -759 294 153 O ATOM 1231 OD2 ASP A 366 26.264 55.795 36.618 1.00 18.85 O ANISOU 1231 OD2 ASP A 366 1553 2594 3016 -852 325 221 O ATOM 0 H ASP A 366 25.709 59.370 33.563 1.00 19.06 H new ATOM 0 HA ASP A 366 28.006 58.876 34.776 1.00 19.90 H new ATOM 0 HB2 ASP A 366 25.958 58.362 35.809 1.00 21.67 H new ATOM 0 HB3 ASP A 366 25.616 57.349 34.674 1.00 21.67 H new ATOM 1236 N LEU A 367 29.330 57.456 33.321 1.00 12.85 N ANISOU 1236 N LEU A 367 901 1836 2146 -596 8 287 N ATOM 1237 CA LEU A 367 30.098 56.575 32.453 1.00 12.32 C ANISOU 1237 CA LEU A 367 925 1761 1995 -622 -57 308 C ATOM 1238 C LEU A 367 30.773 55.449 33.212 1.00 11.85 C ANISOU 1238 C LEU A 367 1029 1602 1871 -681 18 285 C ATOM 1239 O LEU A 367 31.622 54.751 32.669 1.00 11.34 O ANISOU 1239 O LEU A 367 1061 1518 1732 -688 -33 302 O ATOM 1240 CB LEU A 367 31.156 57.378 31.689 1.00 11.41 C ANISOU 1240 CB LEU A 367 837 1657 1841 -527 -153 405 C ATOM 1241 CG LEU A 367 30.623 58.417 30.710 1.00 12.51 C ANISOU 1241 CG LEU A 367 853 1875 2026 -452 -241 459 C ATOM 1242 CD1 LEU A 367 31.813 59.065 30.069 1.00 16.91 C ANISOU 1242 CD1 LEU A 367 1475 2418 2533 -385 -301 561 C ATOM 1243 CD2 LEU A 367 29.709 57.791 29.685 1.00 13.73 C ANISOU 1243 CD2 LEU A 367 921 2133 2164 -492 -302 404 C ATOM 0 H LEU A 367 29.807 57.933 33.855 1.00 12.85 H new ATOM 0 HA LEU A 367 29.468 56.174 31.833 1.00 12.32 H new ATOM 0 HB2 LEU A 367 31.724 57.828 32.334 1.00 11.41 H new ATOM 0 HB3 LEU A 367 31.718 56.757 31.200 1.00 11.41 H new ATOM 0 HG LEU A 367 30.086 59.079 31.173 1.00 12.51 H new ATOM 0 HD11 LEU A 367 31.514 59.736 29.436 1.00 16.91 H new ATOM 0 HD12 LEU A 367 32.359 59.485 30.751 1.00 16.91 H new ATOM 0 HD13 LEU A 367 32.337 58.393 29.605 1.00 16.91 H new ATOM 0 HD21 LEU A 367 29.387 58.475 29.078 1.00 13.73 H new ATOM 0 HD22 LEU A 367 30.197 57.118 29.184 1.00 13.73 H new ATOM 0 HD23 LEU A 367 28.955 57.376 30.133 1.00 13.73 H new ATOM 1255 N ARG A 368 30.401 55.234 34.463 1.00 13.21 N ANISOU 1255 N ARG A 368 1237 1712 2069 -717 139 251 N ATOM 1256 CA ARG A 368 31.078 54.204 35.235 1.00 17.52 C ANISOU 1256 CA ARG A 368 1950 2152 2554 -735 200 264 C ATOM 1257 C ARG A 368 30.921 52.823 34.637 1.00 17.65 C ANISOU 1257 C ARG A 368 2021 2139 2548 -814 176 241 C ATOM 1258 O ARG A 368 31.785 51.975 34.833 1.00 22.84 O ANISOU 1258 O ARG A 368 2833 2722 3124 -807 172 257 O ATOM 1259 CB ARG A 368 30.579 54.199 36.678 1.00 17.63 C ANISOU 1259 CB ARG A 368 1971 2124 2603 -746 309 282 C ATOM 1260 CG ARG A 368 31.052 55.389 37.485 1.00 18.44 C ANISOU 1260 CG ARG A 368 2070 2233 2703 -668 340 296 C ATOM 1261 CD ARG A 368 30.424 55.360 38.853 1.00 15.76 C ANISOU 1261 CD ARG A 368 1726 1929 2333 -713 406 327 C ATOM 1262 NE ARG A 368 28.976 55.332 38.716 1.00 15.60 N ANISOU 1262 NE ARG A 368 1562 1977 2387 -786 435 296 N ATOM 1263 CZ ARG A 368 28.125 54.787 39.593 1.00 16.30 C ANISOU 1263 CZ ARG A 368 1658 2076 2460 -856 536 269 C ATOM 1264 NH1 ARG A 368 28.554 54.226 40.708 1.00 16.90 N ANISOU 1264 NH1 ARG A 368 1885 2096 2439 -864 616 280 N ATOM 1265 NH2 ARG A 368 26.834 54.812 39.345 1.00 18.66 N ANISOU 1265 NH2 ARG A 368 1805 2448 2836 -917 556 230 N ATOM 0 H ARG A 368 29.777 55.659 34.876 1.00 13.21 H new ATOM 0 HA ARG A 368 32.023 54.423 35.215 1.00 17.52 H new ATOM 0 HB2 ARG A 368 29.609 54.183 36.677 1.00 17.63 H new ATOM 0 HB3 ARG A 368 30.876 53.384 37.112 1.00 17.63 H new ATOM 0 HG2 ARG A 368 32.019 55.373 37.563 1.00 18.44 H new ATOM 0 HG3 ARG A 368 30.818 56.213 37.030 1.00 18.44 H new ATOM 0 HD2 ARG A 368 30.728 54.580 39.344 1.00 15.76 H new ATOM 0 HD3 ARG A 368 30.696 56.140 39.362 1.00 15.76 H new ATOM 0 HE ARG A 368 28.639 55.696 38.013 1.00 15.60 H new ATOM 0 HH11 ARG A 368 29.396 54.206 40.883 1.00 16.90 H new ATOM 0 HH12 ARG A 368 27.992 53.881 41.260 1.00 16.90 H new ATOM 0 HH21 ARG A 368 26.542 55.177 38.623 1.00 18.66 H new ATOM 0 HH22 ARG A 368 26.282 54.463 39.905 1.00 18.66 H new ATOM 1279 N ASN A 369 29.820 52.591 33.940 1.00 15.94 N ANISOU 1279 N ASN A 369 1676 1981 2400 -886 155 192 N ATOM 1280 CA ASN A 369 29.572 51.290 33.345 1.00 19.34 C ANISOU 1280 CA ASN A 369 2151 2382 2816 -979 133 148 C ATOM 1281 C ASN A 369 29.477 51.293 31.821 1.00 15.31 C ANISOU 1281 C ASN A 369 1546 1975 2299 -994 15 103 C ATOM 1282 O ASN A 369 28.899 50.396 31.235 1.00 18.14 O ANISOU 1282 O ASN A 369 1880 2337 2677 -1082 -6 36 O ATOM 1283 CB ASN A 369 28.350 50.648 33.996 1.00 21.44 C ANISOU 1283 CB ASN A 369 2369 2626 3153 -1075 214 124 C ATOM 1284 CG ASN A 369 28.606 50.299 35.448 1.00 32.23 C ANISOU 1284 CG ASN A 369 3868 3905 4474 -1070 317 177 C ATOM 1285 OD1 ASN A 369 29.290 49.332 35.745 1.00 18.90 O ANISOU 1285 OD1 ASN A 369 2355 2117 2709 -1073 335 194 O ATOM 1286 ND2 ASN A 369 28.095 51.112 36.352 1.00 18.84 N ANISOU 1286 ND2 ASN A 369 2093 2255 2810 -1050 375 203 N ATOM 0 H ASN A 369 29.204 53.174 33.800 1.00 15.94 H new ATOM 0 HA ASN A 369 30.356 50.749 33.528 1.00 19.34 H new ATOM 0 HB2 ASN A 369 27.596 51.255 33.937 1.00 21.44 H new ATOM 0 HB3 ASN A 369 28.107 49.846 33.508 1.00 21.44 H new ATOM 0 HD21 ASN A 369 28.239 50.971 37.188 1.00 18.84 H new ATOM 0 HD22 ASN A 369 27.618 51.784 36.106 1.00 18.84 H new ATOM 1293 N ALA A 370 30.044 52.317 31.195 1.00 14.73 N ANISOU 1293 N ALA A 370 1427 1986 2185 -904 -69 149 N ATOM 1294 CA ALA A 370 30.026 52.463 29.742 1.00 14.31 C ANISOU 1294 CA ALA A 370 1289 2053 2097 -886 -195 136 C ATOM 1295 C ALA A 370 31.171 51.736 29.067 1.00 13.76 C ANISOU 1295 C ALA A 370 1343 1966 1921 -893 -259 138 C ATOM 1296 O ALA A 370 32.261 51.648 29.620 1.00 12.74 O ANISOU 1296 O ALA A 370 1347 1756 1738 -865 -237 185 O ATOM 1297 CB ALA A 370 30.096 53.931 29.385 1.00 13.80 C ANISOU 1297 CB ALA A 370 1129 2076 2037 -771 -255 213 C ATOM 0 H ALA A 370 30.454 52.953 31.604 1.00 14.73 H new ATOM 0 HA ALA A 370 29.200 52.067 29.424 1.00 14.31 H new ATOM 0 HB1 ALA A 370 30.084 54.031 28.420 1.00 13.80 H new ATOM 0 HB2 ALA A 370 29.334 54.394 29.767 1.00 13.80 H new ATOM 0 HB3 ALA A 370 30.915 54.312 29.739 1.00 13.80 H new ATOM 1303 N SER A 371 30.948 51.281 27.836 1.00 14.34 N ANISOU 1303 N SER A 371 1363 2127 1960 -916 -345 76 N ATOM 1304 CA SER A 371 32.053 50.843 26.987 1.00 13.92 C ANISOU 1304 CA SER A 371 1396 2097 1794 -891 -420 69 C ATOM 1305 C SER A 371 32.880 52.014 26.507 1.00 12.90 C ANISOU 1305 C SER A 371 1248 2052 1603 -767 -474 172 C ATOM 1306 O SER A 371 32.430 53.154 26.552 1.00 12.82 O ANISOU 1306 O SER A 371 1147 2088 1637 -702 -475 242 O ATOM 1307 CB SER A 371 31.534 50.106 25.757 1.00 15.28 C ANISOU 1307 CB SER A 371 1510 2354 1942 -928 -490 -40 C ATOM 1308 OG SER A 371 30.889 51.028 24.881 1.00 15.82 O ANISOU 1308 OG SER A 371 1433 2568 2010 -851 -557 -16 O ATOM 0 H SER A 371 30.170 51.218 27.476 1.00 14.34 H new ATOM 0 HA SER A 371 32.601 50.254 27.528 1.00 13.92 H new ATOM 0 HB2 SER A 371 32.268 49.669 25.297 1.00 15.28 H new ATOM 0 HB3 SER A 371 30.912 49.411 26.024 1.00 15.28 H new ATOM 0 HG SER A 371 30.316 51.468 25.310 1.00 15.82 H new ATOM 1314 N ALA A 372 34.065 51.727 25.981 1.00 14.83 N ANISOU 1314 N ALA A 372 1041 2629 1963 -457 -240 279 N ATOM 1315 CA ALA A 372 34.911 52.775 25.460 1.00 13.76 C ANISOU 1315 CA ALA A 372 1021 2586 1620 -458 -263 150 C ATOM 1316 C ALA A 372 34.234 53.479 24.297 1.00 14.15 C ANISOU 1316 C ALA A 372 1156 2568 1652 -531 -376 125 C ATOM 1317 O ALA A 372 34.381 54.693 24.127 1.00 13.69 O ANISOU 1317 O ALA A 372 1163 2540 1499 -510 -373 126 O ATOM 1318 CB ALA A 372 36.279 52.206 25.041 1.00 14.01 C ANISOU 1318 CB ALA A 372 1144 2650 1528 -464 -235 -7 C ATOM 0 H ALA A 372 34.391 50.934 25.919 1.00 14.83 H new ATOM 0 HA ALA A 372 35.059 53.429 26.161 1.00 13.76 H new ATOM 0 HB1 ALA A 372 36.835 52.921 24.694 1.00 14.01 H new ATOM 0 HB2 ALA A 372 36.712 51.805 25.811 1.00 14.01 H new ATOM 0 HB3 ALA A 372 36.153 51.533 24.354 1.00 14.01 H new ATOM 1324 N GLU A 373 33.476 52.735 23.494 1.00 14.30 N ANISOU 1324 N GLU A 373 1161 2494 1779 -607 -486 99 N ATOM 1325 CA GLU A 373 32.774 53.319 22.375 1.00 15.09 C ANISOU 1325 CA GLU A 373 1320 2567 1846 -631 -604 66 C ATOM 1326 C GLU A 373 31.697 54.274 22.870 1.00 15.14 C ANISOU 1326 C GLU A 373 1250 2582 1919 -581 -609 183 C ATOM 1327 O GLU A 373 31.546 55.387 22.353 1.00 15.16 O ANISOU 1327 O GLU A 373 1323 2614 1825 -561 -656 197 O ATOM 1328 CB GLU A 373 32.170 52.223 21.512 1.00 24.98 C ANISOU 1328 CB GLU A 373 2544 3732 3215 -692 -740 -39 C ATOM 1329 CG GLU A 373 31.525 52.739 20.239 1.00 36.96 C ANISOU 1329 CG GLU A 373 4118 5272 4655 -681 -883 -108 C ATOM 1330 CD GLU A 373 30.632 51.711 19.604 1.00 67.30 C ANISOU 1330 CD GLU A 373 7869 9054 8649 -726 -1024 -238 C ATOM 1331 OE1 GLU A 373 30.718 50.522 19.988 1.00 84.78 O ANISOU 1331 OE1 GLU A 373 10016 11178 11019 -797 -1009 -281 O ATOM 1332 OE2 GLU A 373 29.838 52.100 18.727 1.00 56.33 O ANISOU 1332 OE2 GLU A 373 6471 7718 7214 -704 -1149 -292 O ATOM 0 H GLU A 373 33.360 51.888 23.587 1.00 14.30 H new ATOM 0 HA GLU A 373 33.402 53.824 21.835 1.00 15.09 H new ATOM 0 HB2 GLU A 373 32.863 51.586 21.279 1.00 24.98 H new ATOM 0 HB3 GLU A 373 31.506 51.742 22.030 1.00 24.98 H new ATOM 0 HG2 GLU A 373 31.009 53.536 20.439 1.00 36.96 H new ATOM 0 HG3 GLU A 373 32.216 52.999 19.610 1.00 36.96 H new ATOM 1339 N GLN A 374 30.965 53.872 23.904 1.00 15.01 N ANISOU 1339 N GLN A 374 1087 2550 2065 -549 -550 284 N ATOM 1340 CA GLN A 374 29.933 54.760 24.419 1.00 15.36 C ANISOU 1340 CA GLN A 374 1050 2629 2156 -471 -545 379 C ATOM 1341 C GLN A 374 30.553 56.027 24.977 1.00 14.17 C ANISOU 1341 C GLN A 374 966 2551 1868 -375 -491 390 C ATOM 1342 O GLN A 374 30.042 57.130 24.756 1.00 14.48 O ANISOU 1342 O GLN A 374 1023 2599 1881 -329 -557 401 O ATOM 1343 CB GLN A 374 29.087 54.082 25.501 1.00 27.16 C ANISOU 1343 CB GLN A 374 2375 4121 3825 -433 -447 507 C ATOM 1344 CG GLN A 374 27.893 54.941 25.900 1.00 49.63 C ANISOU 1344 CG GLN A 374 5124 7022 6712 -344 -451 579 C ATOM 1345 CD GLN A 374 27.163 54.468 27.138 1.00 57.59 C ANISOU 1345 CD GLN A 374 5981 8070 7832 -270 -305 730 C ATOM 1346 OE1 GLN A 374 27.079 53.269 27.437 1.00 44.40 O ANISOU 1346 OE1 GLN A 374 4240 6334 6295 -333 -236 813 O ATOM 1347 NE2 GLN A 374 26.616 55.427 27.867 1.00 35.98 N ANISOU 1347 NE2 GLN A 374 3202 5433 5038 -126 -257 773 N ATOM 0 H GLN A 374 31.045 53.117 24.308 1.00 15.01 H new ATOM 0 HA GLN A 374 29.350 54.984 23.677 1.00 15.36 H new ATOM 0 HB2 GLN A 374 28.774 53.223 25.177 1.00 27.16 H new ATOM 0 HB3 GLN A 374 29.637 53.908 26.281 1.00 27.16 H new ATOM 0 HG2 GLN A 374 28.198 55.850 26.046 1.00 49.63 H new ATOM 0 HG3 GLN A 374 27.267 54.967 25.160 1.00 49.63 H new ATOM 0 HE21 GLN A 374 26.696 56.249 27.626 1.00 35.98 H new ATOM 0 HE22 GLN A 374 26.180 55.229 28.581 1.00 35.98 H new ATOM 1356 N ALA A 375 31.648 55.857 25.713 1.00 13.21 N ANISOU 1356 N ALA A 375 870 2476 1672 -335 -386 370 N ATOM 1357 CA ALA A 375 32.346 56.972 26.333 1.00 12.45 C ANISOU 1357 CA ALA A 375 819 2439 1474 -241 -347 333 C ATOM 1358 C ALA A 375 32.837 57.930 25.266 1.00 12.38 C ANISOU 1358 C ALA A 375 934 2390 1381 -328 -434 277 C ATOM 1359 O ALA A 375 32.727 59.143 25.410 1.00 14.02 O ANISOU 1359 O ALA A 375 1157 2589 1580 -278 -484 281 O ATOM 1360 CB ALA A 375 33.517 56.479 27.180 1.00 11.72 C ANISOU 1360 CB ALA A 375 728 2415 1310 -179 -236 282 C ATOM 0 H ALA A 375 32.005 55.090 25.865 1.00 13.21 H new ATOM 0 HA ALA A 375 31.726 57.436 26.917 1.00 12.45 H new ATOM 0 HB1 ALA A 375 33.967 57.238 27.583 1.00 11.72 H new ATOM 0 HB2 ALA A 375 33.187 55.891 27.878 1.00 11.72 H new ATOM 0 HB3 ALA A 375 34.142 55.994 26.618 1.00 11.72 H new ATOM 1366 N ALA A 376 33.357 57.381 24.176 1.00 12.81 N ANISOU 1366 N ALA A 376 1074 2420 1372 -444 -454 233 N ATOM 1367 CA ALA A 376 33.887 58.218 23.101 1.00 14.87 C ANISOU 1367 CA ALA A 376 1455 2672 1523 -527 -501 224 C ATOM 1368 C ALA A 376 32.778 59.081 22.495 1.00 14.25 C ANISOU 1368 C ALA A 376 1396 2556 1464 -513 -631 306 C ATOM 1369 O ALA A 376 32.986 60.271 22.226 1.00 15.42 O ANISOU 1369 O ALA A 376 1611 2687 1562 -534 -684 363 O ATOM 1370 CB ALA A 376 34.555 57.354 22.034 1.00 17.04 C ANISOU 1370 CB ALA A 376 1806 2969 1699 -609 -486 159 C ATOM 0 H ALA A 376 33.414 56.534 24.037 1.00 12.81 H new ATOM 0 HA ALA A 376 34.558 58.812 23.472 1.00 14.87 H new ATOM 0 HB1 ALA A 376 34.902 57.922 21.328 1.00 17.04 H new ATOM 0 HB2 ALA A 376 35.284 56.853 22.433 1.00 17.04 H new ATOM 0 HB3 ALA A 376 33.905 56.738 21.663 1.00 17.04 H new ATOM 1376 N ILE A 377 31.594 58.497 22.310 1.00 14.44 N ANISOU 1376 N ILE A 377 1350 2562 1573 -481 -697 318 N ATOM 1377 CA ILE A 377 30.458 59.212 21.750 1.00 15.72 C ANISOU 1377 CA ILE A 377 1509 2708 1757 -436 -827 372 C ATOM 1378 C ILE A 377 30.032 60.325 22.709 1.00 15.71 C ANISOU 1378 C ILE A 377 1453 2695 1820 -321 -833 426 C ATOM 1379 O ILE A 377 29.813 61.461 22.295 1.00 16.60 O ANISOU 1379 O ILE A 377 1637 2773 1898 -283 -929 482 O ATOM 1380 CB ILE A 377 29.288 58.239 21.439 1.00 16.77 C ANISOU 1380 CB ILE A 377 1532 2840 2001 -431 -900 337 C ATOM 1381 CG1 ILE A 377 29.722 57.259 20.340 1.00 17.32 C ANISOU 1381 CG1 ILE A 377 1673 2912 1998 -511 -947 238 C ATOM 1382 CG2 ILE A 377 28.049 59.005 21.005 1.00 18.31 C ANISOU 1382 CG2 ILE A 377 1688 3046 2223 -353 -1034 372 C ATOM 1383 CD1 ILE A 377 28.811 56.080 20.131 1.00 18.57 C ANISOU 1383 CD1 ILE A 377 1704 3046 2306 -535 -1026 157 C ATOM 0 H ILE A 377 31.431 57.676 22.507 1.00 14.44 H new ATOM 0 HA ILE A 377 30.718 59.617 20.908 1.00 15.72 H new ATOM 0 HB ILE A 377 29.066 57.745 22.244 1.00 16.77 H new ATOM 0 HG12 ILE A 377 29.794 57.745 19.504 1.00 17.32 H new ATOM 0 HG13 ILE A 377 30.609 56.929 20.553 1.00 17.32 H new ATOM 0 HG21 ILE A 377 27.332 58.380 20.816 1.00 18.31 H new ATOM 0 HG22 ILE A 377 27.775 59.606 21.715 1.00 18.31 H new ATOM 0 HG23 ILE A 377 28.249 59.518 20.207 1.00 18.31 H new ATOM 0 HD11 ILE A 377 29.164 55.520 19.422 1.00 18.57 H new ATOM 0 HD12 ILE A 377 28.755 55.565 20.951 1.00 18.57 H new ATOM 0 HD13 ILE A 377 27.927 56.394 19.885 1.00 18.57 H new ATOM 1395 N ALA A 378 29.955 60.007 24.000 1.00 15.00 N ANISOU 1395 N ALA A 378 1248 2637 1815 -242 -733 411 N ATOM 1396 CA ALA A 378 29.604 61.012 24.989 1.00 15.28 C ANISOU 1396 CA ALA A 378 1231 2682 1892 -84 -737 418 C ATOM 1397 C ALA A 378 30.570 62.180 24.954 1.00 15.20 C ANISOU 1397 C ALA A 378 1327 2625 1822 -88 -792 402 C ATOM 1398 O ALA A 378 30.150 63.336 25.048 1.00 16.22 O ANISOU 1398 O ALA A 378 1476 2702 1985 15 -899 425 O ATOM 1399 CB ALA A 378 29.569 60.418 26.370 1.00 14.82 C ANISOU 1399 CB ALA A 378 1059 2694 1880 18 -598 405 C ATOM 0 H ALA A 378 30.101 59.221 24.318 1.00 15.00 H new ATOM 0 HA ALA A 378 28.718 61.339 24.767 1.00 15.28 H new ATOM 0 HB1 ALA A 378 29.333 61.106 27.012 1.00 14.82 H new ATOM 0 HB2 ALA A 378 28.909 59.708 26.400 1.00 14.82 H new ATOM 0 HB3 ALA A 378 30.442 60.057 26.589 1.00 14.82 H new ATOM 1405 N LEU A 379 31.862 61.889 24.846 1.00 14.32 N ANISOU 1405 N LEU A 379 1274 2524 1642 -208 -730 361 N ATOM 1406 CA LEU A 379 32.867 62.937 24.898 1.00 14.61 C ANISOU 1406 CA LEU A 379 1393 2489 1670 -253 -762 329 C ATOM 1407 C LEU A 379 32.814 63.810 23.638 1.00 15.95 C ANISOU 1407 C LEU A 379 1718 2529 1812 -356 -855 444 C ATOM 1408 O LEU A 379 32.944 65.016 23.727 1.00 17.09 O ANISOU 1408 O LEU A 379 1938 2517 2038 -325 -911 459 O ATOM 1409 CB LEU A 379 34.264 62.335 25.091 1.00 13.66 C ANISOU 1409 CB LEU A 379 1277 2419 1495 -352 -635 228 C ATOM 1410 CG LEU A 379 34.491 61.820 26.523 1.00 12.88 C ANISOU 1410 CG LEU A 379 1054 2428 1410 -194 -554 115 C ATOM 1411 CD1 LEU A 379 35.662 60.876 26.612 1.00 13.13 C ANISOU 1411 CD1 LEU A 379 1085 2527 1378 -259 -435 33 C ATOM 1412 CD2 LEU A 379 34.742 62.980 27.445 1.00 13.65 C ANISOU 1412 CD2 LEU A 379 1144 2464 1578 -55 -603 -4 C ATOM 0 H LEU A 379 32.174 61.094 24.743 1.00 14.32 H new ATOM 0 HA LEU A 379 32.674 63.505 25.660 1.00 14.61 H new ATOM 0 HB2 LEU A 379 34.388 61.605 24.464 1.00 13.66 H new ATOM 0 HB3 LEU A 379 34.933 63.005 24.881 1.00 13.66 H new ATOM 0 HG LEU A 379 33.690 61.338 26.782 1.00 12.88 H new ATOM 0 HD11 LEU A 379 35.768 60.577 27.529 1.00 13.13 H new ATOM 0 HD12 LEU A 379 35.504 60.110 26.039 1.00 13.13 H new ATOM 0 HD13 LEU A 379 36.469 61.333 26.326 1.00 13.13 H new ATOM 0 HD21 LEU A 379 34.885 62.652 28.347 1.00 13.65 H new ATOM 0 HD22 LEU A 379 35.529 63.464 27.149 1.00 13.65 H new ATOM 0 HD23 LEU A 379 33.975 63.573 27.435 1.00 13.65 H new ATOM 1424 N ALYS A 380 32.594 63.227 22.470 0.46 16.21 N ANISOU 1424 N ALYS A 380 1807 2620 1732 -458 -884 528 N ATOM 1425 N BLYS A 380 32.624 63.170 22.490 0.54 16.14 N ANISOU 1425 N BLYS A 380 1794 2616 1722 -461 -879 523 N ATOM 1426 CA ALYS A 380 32.560 64.066 21.277 0.46 17.90 C ANISOU 1426 CA ALYS A 380 2184 2746 1872 -518 -961 670 C ATOM 1427 CA BLYS A 380 32.446 63.866 21.213 0.54 17.80 C ANISOU 1427 CA BLYS A 380 2159 2760 1845 -517 -967 667 C ATOM 1428 C ALYS A 380 31.265 64.875 21.203 0.46 19.23 C ANISOU 1428 C ALYS A 380 2362 2840 2106 -366 -1127 757 C ATOM 1429 C BLYS A 380 31.294 64.853 21.250 0.54 19.16 C ANISOU 1429 C BLYS A 380 2348 2832 2100 -367 -1122 750 C ATOM 1430 O ALYS A 380 31.223 65.904 20.515 0.46 21.01 O ANISOU 1430 O ALYS A 380 2737 2932 2314 -362 -1199 893 O ATOM 1431 O BLYS A 380 31.360 65.943 20.666 0.54 20.87 O ANISOU 1431 O BLYS A 380 2713 2901 2315 -368 -1182 877 O ATOM 1432 CB ALYS A 380 32.745 63.239 19.996 0.46 18.29 C ANISOU 1432 CB ALYS A 380 2304 2920 1723 -624 -958 713 C ATOM 1433 CB BLYS A 380 32.168 62.862 20.087 0.54 22.77 C ANISOU 1433 CB BLYS A 380 2815 3507 2330 -564 -976 667 C ATOM 1434 CG ALYS A 380 31.647 62.247 19.671 0.46 27.83 C ANISOU 1434 CG ALYS A 380 3431 4188 2955 -532 -989 622 C ATOM 1435 CG BLYS A 380 33.358 62.437 19.255 0.54 37.11 C ANISOU 1435 CG BLYS A 380 4726 5405 3970 -708 -878 672 C ATOM 1436 CD ALYS A 380 31.713 61.811 18.203 0.46 45.78 C ANISOU 1436 CD ALYS A 380 5811 6535 5049 -563 -1017 629 C ATOM 1437 CD BLYS A 380 32.907 61.398 18.233 0.54 47.79 C ANISOU 1437 CD BLYS A 380 6089 6839 5231 -668 -893 592 C ATOM 1438 CE ALYS A 380 33.106 61.328 17.795 0.46 44.36 C ANISOU 1438 CE ALYS A 380 5694 6434 4725 -684 -884 599 C ATOM 1439 CE BLYS A 380 33.769 61.391 16.984 0.54 39.74 C ANISOU 1439 CE BLYS A 380 5203 5913 3982 -730 -834 640 C ATOM 1440 NZ ALYS A 380 33.196 61.023 16.336 0.46 51.34 N ANISOU 1440 NZ ALYS A 380 6690 7416 5400 -659 -906 600 N ATOM 1441 NZ BLYS A 380 33.080 60.692 15.856 0.54 50.45 N ANISOU 1441 NZ BLYS A 380 6596 7344 5228 -627 -930 562 N ATOM 0 H ALYS A 380 32.467 62.386 22.344 0.46 16.14 H new ATOM 0 H BLYS A 380 32.594 62.313 22.426 0.54 16.14 H new ATOM 0 HA ALYS A 380 33.304 64.684 21.345 0.46 17.80 H new ATOM 0 HA BLYS A 380 33.271 64.349 21.050 0.54 17.80 H new ATOM 0 HB2ALYS A 380 32.833 63.851 19.249 0.46 22.77 H new ATOM 0 HB2BLYS A 380 31.772 62.068 20.479 0.54 22.77 H new ATOM 0 HB3ALYS A 380 33.582 62.754 20.065 0.46 22.77 H new ATOM 0 HB3BLYS A 380 31.504 63.247 19.494 0.54 22.77 H new ATOM 0 HG2ALYS A 380 31.729 61.470 20.246 0.46 37.11 H new ATOM 0 HG2BLYS A 380 33.742 63.205 18.804 0.54 37.11 H new ATOM 0 HG3ALYS A 380 30.782 62.646 19.854 0.46 37.11 H new ATOM 0 HG3BLYS A 380 34.050 62.067 19.825 0.54 37.11 H new ATOM 0 HD2ALYS A 380 31.071 61.100 18.051 0.46 47.79 H new ATOM 0 HD2BLYS A 380 32.928 60.518 18.641 0.54 47.79 H new ATOM 0 HD3ALYS A 380 31.453 62.554 17.636 0.46 47.79 H new ATOM 0 HD3BLYS A 380 31.986 61.573 17.985 0.54 47.79 H new ATOM 0 HE2ALYS A 380 33.761 62.007 18.022 0.46 39.74 H new ATOM 0 HE2BLYS A 380 33.975 62.303 16.725 0.54 39.74 H new ATOM 0 HE3ALYS A 380 33.332 60.534 18.304 0.46 39.74 H new ATOM 0 HE3BLYS A 380 34.613 60.952 17.173 0.54 39.74 H new ATOM 0 HZ1ALYS A 380 34.019 60.746 16.141 0.46 50.45 H new ATOM 0 HZ1BLYS A 380 33.604 60.701 15.137 0.54 50.45 H new ATOM 0 HZ2ALYS A 380 32.612 60.384 16.129 0.46 50.45 H new ATOM 0 HZ2BLYS A 380 32.910 59.850 16.088 0.54 50.45 H new ATOM 0 HZ3ALYS A 380 33.011 61.757 15.867 0.46 50.45 H new ATOM 0 HZ3BLYS A 380 32.316 61.109 15.671 0.54 50.45 H new ATOM 1468 N ASN A 381 30.216 64.419 21.893 1.00 17.50 N ANISOU 1468 N ASN A 381 1957 2523 2169 -254 -1065 594 N ATOM 1469 CA ASN A 381 28.925 65.109 21.857 1.00 18.03 C ANISOU 1469 CA ASN A 381 1946 2610 2295 -175 -1128 619 C ATOM 1470 C ASN A 381 28.776 66.109 22.984 1.00 17.54 C ANISOU 1470 C ASN A 381 1862 2487 2316 -124 -1068 689 C ATOM 1471 O ASN A 381 27.743 66.769 23.103 1.00 19.47 O ANISOU 1471 O ASN A 381 2042 2749 2609 -33 -1107 710 O ATOM 1472 CB ASN A 381 27.756 64.125 21.960 1.00 19.47 C ANISOU 1472 CB ASN A 381 1984 2833 2579 -201 -1183 543 C ATOM 1473 CG ASN A 381 27.582 63.270 20.717 1.00 19.96 C ANISOU 1473 CG ASN A 381 2067 2953 2564 -219 -1284 454 C ATOM 1474 OD1 ASN A 381 28.197 63.509 19.673 1.00 20.33 O ANISOU 1474 OD1 ASN A 381 2231 3036 2460 -181 -1318 453 O ATOM 1475 ND2 ASN A 381 26.716 62.266 20.825 1.00 22.59 N ANISOU 1475 ND2 ASN A 381 2286 3298 2998 -271 -1331 380 N ATOM 0 H AASN A 381 30.232 63.714 22.386 0.46 17.50 H new ATOM 0 H BASN A 381 30.211 63.704 22.371 0.54 17.50 H new ATOM 0 HA ASN A 381 28.905 65.571 21.004 1.00 18.03 H new ATOM 0 HB2 ASN A 381 27.894 63.547 22.726 1.00 19.47 H new ATOM 0 HB3 ASN A 381 26.938 64.620 22.122 1.00 19.47 H new ATOM 0 HD21 ASN A 381 26.566 61.753 20.151 1.00 22.59 H new ATOM 0 HD22 ASN A 381 26.306 62.130 21.569 1.00 22.59 H new ATOM 1482 N ALA A 382 29.811 66.242 23.799 1.00 16.39 N ANISOU 1482 N ALA A 382 1775 2274 2180 -164 -979 714 N ATOM 1483 CA ALA A 382 29.687 66.978 25.053 1.00 15.98 C ANISOU 1483 CA ALA A 382 1704 2158 2211 -106 -924 750 C ATOM 1484 C ALA A 382 29.756 68.500 24.879 1.00 16.90 C ANISOU 1484 C ALA A 382 1924 2206 2293 -13 -937 807 C ATOM 1485 O ALA A 382 29.684 69.261 25.860 1.00 16.73 O ANISOU 1485 O ALA A 382 1919 2112 2324 60 -903 818 O ATOM 1486 CB ALA A 382 30.780 66.493 26.045 1.00 14.54 C ANISOU 1486 CB ALA A 382 1550 1924 2050 -176 -838 741 C ATOM 0 H ALA A 382 30.592 65.916 23.648 1.00 16.39 H new ATOM 0 HA ALA A 382 28.804 66.791 25.407 1.00 15.98 H new ATOM 0 HB1 ALA A 382 30.699 66.981 26.879 1.00 14.54 H new ATOM 0 HB2 ALA A 382 30.667 65.544 26.213 1.00 14.54 H new ATOM 0 HB3 ALA A 382 31.657 66.650 25.662 1.00 14.54 H new ATOM 1492 N GLY A 383 29.939 68.958 23.649 1.00 17.01 N ANISOU 1492 N GLY A 383 2018 2233 2211 -8 -983 839 N ATOM 1493 CA GLY A 383 29.985 70.381 23.410 1.00 17.92 C ANISOU 1493 CA GLY A 383 2235 2272 2301 71 -996 901 C ATOM 1494 C GLY A 383 31.353 70.993 23.641 1.00 17.38 C ANISOU 1494 C GLY A 383 2283 2102 2218 4 -926 938 C ATOM 1495 O GLY A 383 32.345 70.283 23.780 1.00 16.33 O ANISOU 1495 O GLY A 383 2153 1982 2071 -100 -869 920 O ATOM 0 H GLY A 383 30.037 68.466 22.951 1.00 17.01 H new ATOM 0 HA2 GLY A 383 29.711 70.557 22.496 1.00 17.92 H new ATOM 0 HA3 GLY A 383 29.341 70.819 23.988 1.00 17.92 H new ATOM 1499 N AGLN A 384 31.393 72.323 23.686 0.47 18.31 N ANISOU 1499 N AGLN A 384 2491 2119 2348 67 -937 985 N ATOM 1500 N BGLN A 384 31.415 72.319 23.702 0.53 18.29 N ANISOU 1500 N BGLN A 384 2488 2115 2345 65 -936 985 N ATOM 1501 CA AGLN A 384 32.649 73.067 23.783 0.47 18.32 C ANISOU 1501 CA AGLN A 384 2591 2017 2353 -7 -889 1025 C ATOM 1502 CA BGLN A 384 32.707 73.002 23.756 0.53 18.26 C ANISOU 1502 CA BGLN A 384 2582 2015 2342 -15 -885 1025 C ATOM 1503 C AGLN A 384 33.204 73.018 25.193 0.47 17.25 C ANISOU 1503 C AGLN A 384 2452 1803 2301 -35 -843 962 C ATOM 1504 C BGLN A 384 33.197 73.196 25.189 0.53 17.42 C ANISOU 1504 C BGLN A 384 2485 1810 2324 -28 -847 967 C ATOM 1505 O AGLN A 384 34.415 72.956 25.396 0.47 16.71 O ANISOU 1505 O AGLN A 384 2407 1703 2238 -138 -794 960 O ATOM 1506 O BGLN A 384 34.367 73.498 25.399 0.53 17.22 O ANISOU 1506 O BGLN A 384 2506 1723 2315 -116 -810 976 O ATOM 1507 CB AGLN A 384 32.444 74.525 23.365 0.47 20.37 C ANISOU 1507 CB AGLN A 384 2950 2179 2611 65 -931 1098 C ATOM 1508 CB BGLN A 384 32.628 74.351 23.018 0.53 20.01 C ANISOU 1508 CB BGLN A 384 2904 2162 2538 38 -924 1113 C ATOM 1509 CG AGLN A 384 31.792 74.705 21.995 0.47 35.79 C ANISOU 1509 CG AGLN A 384 4920 4209 4469 126 -985 1167 C ATOM 1510 CG BGLN A 384 32.611 74.195 21.482 0.53 36.84 C ANISOU 1510 CG BGLN A 384 5056 4393 4549 32 -941 1187 C ATOM 1511 CD AGLN A 384 32.714 74.358 20.836 0.47 46.30 C ANISOU 1511 CD AGLN A 384 6284 5612 5696 33 -945 1232 C ATOM 1512 CD BGLN A 384 32.528 75.518 20.717 0.53 22.95 C ANISOU 1512 CD BGLN A 384 3403 2561 2758 90 -974 1296 C ATOM 1513 OE1AGLN A 384 33.470 73.388 20.891 0.47 51.86 O ANISOU 1513 OE1AGLN A 384 6944 6382 6379 -63 -889 1196 O ATOM 1514 OE1BGLN A 384 32.422 76.595 21.305 0.53 40.15 O ANISOU 1514 OE1BGLN A 384 5640 4603 5013 134 -995 1313 O ATOM 1515 NE2AGLN A 384 32.651 75.157 19.775 0.47 46.31 N ANISOU 1515 NE2AGLN A 384 6365 5608 5622 79 -970 1334 N ATOM 1516 NE2BGLN A 384 32.576 75.429 19.392 0.53 46.12 N ANISOU 1516 NE2BGLN A 384 6369 5584 5569 101 -981 1370 N ATOM 0 H AGLN A 384 30.692 72.821 23.661 0.47 18.29 H new ATOM 0 H BGLN A 384 30.730 72.839 23.713 0.53 18.29 H new ATOM 0 HA AGLN A 384 33.286 72.648 23.183 0.47 18.26 H new ATOM 0 HA BGLN A 384 33.356 72.435 23.310 0.53 18.26 H new ATOM 0 HB2AGLN A 384 31.896 74.967 24.032 0.47 20.01 H new ATOM 0 HB2BGLN A 384 31.828 74.822 23.300 0.53 20.01 H new ATOM 0 HB3AGLN A 384 33.304 74.973 23.363 0.47 20.01 H new ATOM 0 HB3BGLN A 384 33.386 74.900 23.274 0.53 20.01 H new ATOM 0 HG2AGLN A 384 30.999 74.149 21.946 0.47 36.84 H new ATOM 0 HG2BGLN A 384 33.413 73.723 21.206 0.53 36.84 H new ATOM 0 HG3AGLN A 384 31.499 75.625 21.902 0.47 36.84 H new ATOM 0 HG3BGLN A 384 31.855 73.641 21.232 0.53 36.84 H new ATOM 0 HE21AGLN A 384 32.110 75.826 19.772 0.47 46.12 H new ATOM 0 HE21BGLN A 384 32.650 74.660 19.015 0.53 46.12 H new ATOM 0 HE22AGLN A 384 33.151 75.005 19.092 0.47 46.12 H new ATOM 0 HE22BGLN A 384 32.533 76.141 18.911 0.53 46.12 H new ATOM 1533 N THR A 385 32.304 73.049 26.164 1.00 17.29 N ANISOU 1533 N THR A 385 2418 1790 2361 72 -859 910 N ATOM 1534 CA THR A 385 32.683 73.101 27.577 1.00 19.32 C ANISOU 1534 CA THR A 385 2689 1974 2679 88 -822 845 C ATOM 1535 C THR A 385 32.285 71.792 28.228 1.00 15.46 C ANISOU 1535 C THR A 385 2085 1581 2208 89 -784 799 C ATOM 1536 O THR A 385 31.106 71.478 28.323 1.00 15.83 O ANISOU 1536 O THR A 385 2040 1703 2273 180 -803 795 O ATOM 1537 CB THR A 385 32.014 74.279 28.299 1.00 32.05 C ANISOU 1537 CB THR A 385 4361 3488 4330 242 -859 825 C ATOM 1538 OG1 THR A 385 32.304 75.484 27.588 1.00 21.48 O ANISOU 1538 OG1 THR A 385 3125 2051 2984 233 -905 884 O ATOM 1539 CG2 THR A 385 32.527 74.408 29.705 1.00 35.35 C ANISOU 1539 CG2 THR A 385 4816 3826 4787 267 -830 750 C ATOM 0 H ATHR A 385 31.455 73.041 26.028 0.47 17.29 H new ATOM 0 H BTHR A 385 31.465 72.917 26.028 0.53 17.29 H new ATOM 0 HA THR A 385 33.642 73.233 27.642 1.00 19.32 H new ATOM 0 HB THR A 385 31.057 74.121 28.330 1.00 32.05 H new ATOM 0 HG1 THR A 385 31.940 76.133 27.977 1.00 21.48 H new ATOM 0 HG21 THR A 385 32.092 75.157 30.141 1.00 35.35 H new ATOM 0 HG22 THR A 385 32.336 73.593 30.195 1.00 35.35 H new ATOM 0 HG23 THR A 385 33.485 74.557 29.688 1.00 35.35 H new ATOM 1547 N VAL A 386 33.289 71.020 28.649 1.00 14.49 N ANISOU 1547 N VAL A 386 1955 1464 2086 -16 -729 771 N ATOM 1548 CA VAL A 386 33.080 69.645 29.049 1.00 13.51 C ANISOU 1548 CA VAL A 386 1728 1430 1974 -48 -691 748 C ATOM 1549 C VAL A 386 33.415 69.481 30.518 1.00 13.53 C ANISOU 1549 C VAL A 386 1741 1386 2015 -7 -639 698 C ATOM 1550 O VAL A 386 34.545 69.714 30.962 1.00 12.48 O ANISOU 1550 O VAL A 386 1683 1185 1875 -58 -617 665 O ATOM 1551 CB VAL A 386 33.916 68.715 28.159 1.00 12.84 C ANISOU 1551 CB VAL A 386 1632 1410 1835 -185 -674 759 C ATOM 1552 CG1 VAL A 386 33.739 67.250 28.553 1.00 12.01 C ANISOU 1552 CG1 VAL A 386 1434 1382 1748 -225 -647 736 C ATOM 1553 CG2 VAL A 386 33.593 68.976 26.670 1.00 15.67 C ANISOU 1553 CG2 VAL A 386 2003 1821 2131 -196 -728 807 C ATOM 0 H VAL A 386 34.105 71.285 28.708 1.00 14.49 H new ATOM 0 HA VAL A 386 32.148 69.403 28.933 1.00 13.51 H new ATOM 0 HB VAL A 386 34.856 68.914 28.295 1.00 12.84 H new ATOM 0 HG11 VAL A 386 34.279 66.691 27.973 1.00 12.01 H new ATOM 0 HG12 VAL A 386 34.019 67.126 29.473 1.00 12.01 H new ATOM 0 HG13 VAL A 386 32.806 67.001 28.464 1.00 12.01 H new ATOM 0 HG21 VAL A 386 34.125 68.385 26.115 1.00 15.67 H new ATOM 0 HG22 VAL A 386 32.651 68.809 26.509 1.00 15.67 H new ATOM 0 HG23 VAL A 386 33.800 69.898 26.451 1.00 15.67 H new ATOM 1563 N THR A 387 32.410 69.097 31.285 1.00 13.35 N ANISOU 1563 N THR A 387 1628 1413 2031 95 -620 694 N ATOM 1564 CA THR A 387 32.577 68.923 32.706 1.00 13.06 C ANISOU 1564 CA THR A 387 1600 1360 2003 166 -547 638 C ATOM 1565 C THR A 387 32.731 67.437 33.052 1.00 12.15 C ANISOU 1565 C THR A 387 1394 1336 1888 81 -452 616 C ATOM 1566 O THR A 387 31.799 66.635 32.916 1.00 13.60 O ANISOU 1566 O THR A 387 1446 1617 2103 72 -419 636 O ATOM 1567 CB THR A 387 31.388 69.535 33.453 1.00 15.95 C ANISOU 1567 CB THR A 387 1926 1748 2387 360 -538 630 C ATOM 1568 OG1 THR A 387 31.341 70.940 33.186 1.00 16.23 O ANISOU 1568 OG1 THR A 387 2077 1677 2412 445 -622 624 O ATOM 1569 CG2 THR A 387 31.525 69.313 34.963 1.00 14.97 C ANISOU 1569 CG2 THR A 387 1817 1632 2239 458 -447 571 C ATOM 0 H THR A 387 31.617 68.932 30.995 1.00 13.35 H new ATOM 0 HA THR A 387 33.385 69.381 32.984 1.00 13.06 H new ATOM 0 HB THR A 387 30.573 69.107 33.148 1.00 15.95 H new ATOM 0 HG1 THR A 387 30.874 71.080 32.502 1.00 16.23 H new ATOM 0 HG21 THR A 387 30.764 69.707 35.418 1.00 14.97 H new ATOM 0 HG22 THR A 387 31.556 68.361 35.149 1.00 14.97 H new ATOM 0 HG23 THR A 387 32.342 69.730 35.279 1.00 14.97 H new ATOM 1577 N ILE A 388 33.928 67.080 33.509 1.00 10.68 N ANISOU 1577 N ILE A 388 1277 1106 1676 15 -419 578 N ATOM 1578 CA ILE A 388 34.282 65.710 33.821 1.00 9.90 C ANISOU 1578 CA ILE A 388 1126 1063 1571 -62 -342 557 C ATOM 1579 C ILE A 388 34.363 65.535 35.335 1.00 9.90 C ANISOU 1579 C ILE A 388 1145 1061 1556 35 -265 522 C ATOM 1580 O ILE A 388 34.919 66.374 36.035 1.00 10.69 O ANISOU 1580 O ILE A 388 1346 1088 1629 109 -290 481 O ATOM 1581 CB ILE A 388 35.632 65.359 33.142 1.00 9.11 C ANISOU 1581 CB ILE A 388 1084 939 1440 -190 -363 543 C ATOM 1582 CG1 ILE A 388 35.417 65.167 31.637 1.00 14.68 C ANISOU 1582 CG1 ILE A 388 1757 1690 2131 -270 -416 578 C ATOM 1583 CG2 ILE A 388 36.280 64.125 33.779 1.00 11.77 C ANISOU 1583 CG2 ILE A 388 1409 1299 1763 -230 -291 503 C ATOM 1584 CD1 ILE A 388 36.691 65.076 30.873 1.00 39.32 C ANISOU 1584 CD1 ILE A 388 4932 4808 5200 -364 -428 581 C ATOM 0 H ILE A 388 34.565 67.641 33.647 1.00 10.68 H new ATOM 0 HA ILE A 388 33.603 65.106 33.482 1.00 9.90 H new ATOM 0 HB ILE A 388 36.247 66.097 33.277 1.00 9.11 H new ATOM 0 HG12 ILE A 388 34.899 64.360 31.490 1.00 14.68 H new ATOM 0 HG13 ILE A 388 34.892 65.907 31.294 1.00 14.68 H new ATOM 0 HG21 ILE A 388 37.120 63.933 33.333 1.00 11.77 H new ATOM 0 HG22 ILE A 388 36.446 64.295 34.719 1.00 11.77 H new ATOM 0 HG23 ILE A 388 35.685 63.364 33.689 1.00 11.77 H new ATOM 0 HD11 ILE A 388 36.495 64.955 29.931 1.00 39.32 H new ATOM 0 HD12 ILE A 388 37.201 65.892 30.995 1.00 39.32 H new ATOM 0 HD13 ILE A 388 37.208 64.321 31.195 1.00 39.32 H new ATOM 1596 N AILE A 389 33.797 64.448 35.843 0.58 9.94 N ANISOU 1596 N AILE A 389 1060 1141 1577 34 -178 543 N ATOM 1597 N BILE A 389 33.815 64.439 35.840 0.42 9.93 N ANISOU 1597 N BILE A 389 1059 1139 1575 33 -178 542 N ATOM 1598 CA AILE A 389 34.113 64.008 37.193 0.58 9.91 C ANISOU 1598 CA AILE A 389 1086 1145 1534 105 -92 524 C ATOM 1599 CA BILE A 389 34.119 64.022 37.199 0.42 9.91 C ANISOU 1599 CA BILE A 389 1087 1145 1533 106 -92 523 C ATOM 1600 C AILE A 389 35.101 62.868 37.042 0.58 10.41 C ANISOU 1600 C AILE A 389 1171 1194 1591 -16 -75 507 C ATOM 1601 C BILE A 389 35.083 62.855 37.077 0.42 9.02 C ANISOU 1601 C BILE A 389 994 1020 1414 -13 -72 508 C ATOM 1602 O AILE A 389 34.834 61.904 36.322 0.58 8.87 O ANISOU 1602 O AILE A 389 906 1025 1439 -121 -72 534 O ATOM 1603 O BILE A 389 34.782 61.861 36.418 0.42 12.71 O ANISOU 1603 O BILE A 389 1389 1515 1926 -115 -64 537 O ATOM 1604 CB AILE A 389 32.872 63.572 37.994 0.58 11.11 C ANISOU 1604 CB AILE A 389 1127 1394 1702 196 13 585 C ATOM 1605 CB BILE A 389 32.855 63.659 37.997 0.42 10.93 C ANISOU 1605 CB BILE A 389 1106 1369 1677 204 10 583 C ATOM 1606 CG1AILE A 389 31.822 64.695 38.052 0.58 12.37 C ANISOU 1606 CG1AILE A 389 1246 1588 1864 341 -3 598 C ATOM 1607 CG1BILE A 389 31.987 64.910 38.194 0.42 12.00 C ANISOU 1607 CG1BILE A 389 1233 1525 1802 366 -11 582 C ATOM 1608 CG2AILE A 389 33.312 63.114 39.381 0.58 11.41 C ANISOU 1608 CG2AILE A 389 1219 1445 1670 279 106 576 C ATOM 1609 CG2BILE A 389 33.260 63.039 39.330 0.42 10.99 C ANISOU 1609 CG2BILE A 389 1156 1397 1624 270 109 582 C ATOM 1610 CD1AILE A 389 32.338 66.032 38.559 0.58 12.27 C ANISOU 1610 CD1AILE A 389 1384 1490 1788 479 -66 523 C ATOM 1611 CD1BILE A 389 30.618 64.649 38.775 0.42 16.91 C ANISOU 1611 CD1BILE A 389 1704 2276 2444 469 95 657 C ATOM 0 H AILE A 389 33.231 63.954 35.425 0.58 9.93 H new ATOM 0 H BILE A 389 33.269 63.927 35.416 0.42 9.93 H new ATOM 0 HA AILE A 389 34.486 64.744 37.703 0.58 9.91 H new ATOM 0 HA BILE A 389 34.520 64.748 37.702 0.42 9.91 H new ATOM 0 HB AILE A 389 32.441 62.826 37.548 0.58 10.93 H new ATOM 0 HB BILE A 389 32.328 63.008 37.508 0.42 10.93 H new ATOM 0 HG12AILE A 389 31.454 64.822 37.163 0.58 12.00 H new ATOM 0 HG12BILE A 389 32.459 65.527 38.776 0.42 12.00 H new ATOM 0 HG13AILE A 389 31.092 64.408 38.623 0.58 12.00 H new ATOM 0 HG13BILE A 389 31.881 65.353 37.337 0.42 12.00 H new ATOM 0 HG21AILE A 389 32.535 62.838 39.892 0.58 10.99 H new ATOM 0 HG21BILE A 389 32.464 62.809 39.835 0.42 10.99 H new ATOM 0 HG22AILE A 389 33.925 62.367 39.296 0.58 10.99 H new ATOM 0 HG22BILE A 389 33.783 62.238 39.169 0.42 10.99 H new ATOM 0 HG23AILE A 389 33.756 63.846 39.838 0.58 10.99 H new ATOM 0 HG23BILE A 389 33.791 63.675 39.835 0.42 10.99 H new ATOM 0 HD11AILE A 389 31.614 66.678 38.563 0.58 16.91 H new ATOM 0 HD11BILE A 389 30.139 65.488 38.866 0.42 16.91 H new ATOM 0 HD12AILE A 389 32.681 65.926 39.460 0.58 16.91 H new ATOM 0 HD12BILE A 389 30.124 64.057 38.186 0.42 16.91 H new ATOM 0 HD13AILE A 389 33.048 66.346 37.978 0.58 16.91 H new ATOM 0 HD13BILE A 389 30.710 64.234 39.647 0.42 16.91 H new ATOM 1634 N ALA A 390 36.266 63.004 37.675 1.00 8.57 N ANISOU 1634 N ALA A 390 1037 913 1305 5 -84 453 N ATOM 1635 CA ALA A 390 37.329 62.008 37.552 1.00 7.84 C ANISOU 1635 CA ALA A 390 969 811 1200 -83 -76 429 C ATOM 1636 C ALA A 390 37.813 61.582 38.920 1.00 7.93 C ANISOU 1636 C ALA A 390 1035 822 1157 3 -20 408 C ATOM 1637 O ALA A 390 37.680 62.300 39.915 1.00 8.48 O ANISOU 1637 O ALA A 390 1155 887 1179 131 -13 386 O ATOM 1638 CB ALA A 390 38.482 62.547 36.761 1.00 10.72 C ANISOU 1638 CB ALA A 390 1382 1134 1555 -158 -155 391 C ATOM 0 H AALA A 390 36.461 63.670 38.183 0.58 8.57 H new ATOM 0 H BALA A 390 36.473 63.683 38.161 0.42 8.57 H new ATOM 0 HA ALA A 390 36.963 61.240 37.086 1.00 7.84 H new ATOM 0 HB1 ALA A 390 39.173 61.870 36.693 1.00 10.72 H new ATOM 0 HB2 ALA A 390 38.179 62.790 35.872 1.00 10.72 H new ATOM 0 HB3 ALA A 390 38.841 63.331 37.205 1.00 10.72 H new ATOM 1644 N GLN A 391 38.371 60.389 38.965 1.00 7.58 N ANISOU 1644 N GLN A 391 991 781 1107 -51 12 410 N ATOM 1645 CA GLN A 391 38.881 59.849 40.211 1.00 7.77 C ANISOU 1645 CA GLN A 391 1073 807 1070 33 61 400 C ATOM 1646 C GLN A 391 40.097 58.995 39.914 1.00 7.21 C ANISOU 1646 C GLN A 391 1034 715 992 -31 34 361 C ATOM 1647 O GLN A 391 40.057 58.134 39.053 1.00 6.99 O ANISOU 1647 O GLN A 391 969 681 1007 -123 35 375 O ATOM 1648 CB GLN A 391 37.801 59.032 40.932 1.00 8.53 C ANISOU 1648 CB GLN A 391 1122 945 1173 77 172 492 C ATOM 1649 CG GLN A 391 38.237 58.487 42.256 1.00 8.98 C ANISOU 1649 CG GLN A 391 1251 1014 1146 182 233 505 C ATOM 1650 CD GLN A 391 37.099 57.926 43.071 1.00 10.10 C ANISOU 1650 CD GLN A 391 1341 1215 1283 242 362 624 C ATOM 1651 OE1 GLN A 391 36.100 57.461 42.532 1.00 19.70 O ANISOU 1651 OE1 GLN A 391 2446 2446 2591 153 404 707 O ATOM 1652 NE2 GLN A 391 37.258 57.948 44.374 1.00 11.98 N ANISOU 1652 NE2 GLN A 391 1651 1493 1408 392 423 640 N ATOM 0 H GLN A 391 38.465 59.872 38.284 1.00 7.58 H new ATOM 0 HA GLN A 391 39.136 60.577 40.799 1.00 7.77 H new ATOM 0 HB2 GLN A 391 37.019 59.591 41.064 1.00 8.53 H new ATOM 0 HB3 GLN A 391 37.531 58.295 40.362 1.00 8.53 H new ATOM 0 HG2 GLN A 391 38.897 57.791 42.111 1.00 8.98 H new ATOM 0 HG3 GLN A 391 38.673 59.191 42.761 1.00 8.98 H new ATOM 0 HE21 GLN A 391 37.973 58.283 44.714 1.00 11.98 H new ATOM 0 HE22 GLN A 391 36.647 57.628 44.887 1.00 11.98 H new ATOM 1661 N TYR A 392 41.188 59.227 40.634 1.00 8.12 N ANISOU 1661 N TYR A 392 1215 820 1048 31 -1 303 N ATOM 1662 CA TYR A 392 42.444 58.538 40.353 1.00 8.62 C ANISOU 1662 CA TYR A 392 1292 881 1102 -10 -34 260 C ATOM 1663 C TYR A 392 42.417 57.086 40.850 1.00 8.00 C ANISOU 1663 C TYR A 392 1237 795 1006 19 30 296 C ATOM 1664 O TYR A 392 42.253 56.823 42.038 1.00 9.76 O ANISOU 1664 O TYR A 392 1510 1022 1175 120 76 325 O ATOM 1665 CB TYR A 392 43.597 59.315 40.987 1.00 8.46 C ANISOU 1665 CB TYR A 392 1316 855 1041 43 -111 189 C ATOM 1666 CG TYR A 392 44.968 58.776 40.651 1.00 9.70 C ANISOU 1666 CG TYR A 392 1456 1035 1196 7 -150 145 C ATOM 1667 CD1 TYR A 392 45.384 58.653 39.331 1.00 11.76 C ANISOU 1667 CD1 TYR A 392 1652 1321 1496 -98 -160 147 C ATOM 1668 CD2 TYR A 392 45.844 58.416 41.652 1.00 9.18 C ANISOU 1668 CD2 TYR A 392 1434 979 1076 96 -177 103 C ATOM 1669 CE1 TYR A 392 46.640 58.167 39.030 1.00 9.47 C ANISOU 1669 CE1 TYR A 392 1329 1076 1194 -107 -183 111 C ATOM 1670 CE2 TYR A 392 47.095 57.919 41.357 1.00 11.04 C ANISOU 1670 CE2 TYR A 392 1634 1250 1311 80 -214 64 C ATOM 1671 CZ TYR A 392 47.486 57.815 40.048 1.00 9.16 C ANISOU 1671 CZ TYR A 392 1319 1047 1117 -20 -211 69 C ATOM 1672 OH TYR A 392 48.740 57.315 39.755 1.00 14.72 O ANISOU 1672 OH TYR A 392 1971 1810 1811 -14 -234 33 O ATOM 0 H TYR A 392 41.223 59.781 41.291 1.00 8.12 H new ATOM 0 HA TYR A 392 42.571 58.502 39.392 1.00 8.62 H new ATOM 0 HB2 TYR A 392 43.546 60.240 40.701 1.00 8.46 H new ATOM 0 HB3 TYR A 392 43.486 59.309 41.951 1.00 8.46 H new ATOM 0 HD1 TYR A 392 44.810 58.901 38.643 1.00 11.76 H new ATOM 0 HD2 TYR A 392 45.587 58.510 42.541 1.00 9.18 H new ATOM 0 HE1 TYR A 392 46.909 58.079 38.144 1.00 9.47 H new ATOM 0 HE2 TYR A 392 47.669 57.657 42.040 1.00 11.04 H new ATOM 0 HH TYR A 392 49.086 56.999 40.452 1.00 14.72 H new ATOM 1682 N LYS A 393 42.568 56.148 39.921 1.00 8.79 N ANISOU 1682 N LYS A 393 823 1443 1074 62 -109 271 N ATOM 1683 CA LYS A 393 42.417 54.708 40.212 1.00 10.36 C ANISOU 1683 CA LYS A 393 1317 1470 1149 82 45 352 C ATOM 1684 C LYS A 393 43.542 53.932 39.555 1.00 10.64 C ANISOU 1684 C LYS A 393 1432 1421 1191 183 14 348 C ATOM 1685 O LYS A 393 43.307 53.140 38.630 1.00 10.71 O ANISOU 1685 O LYS A 393 1498 1330 1243 35 119 361 O ATOM 1686 CB LYS A 393 41.075 54.178 39.718 1.00 10.61 C ANISOU 1686 CB LYS A 393 1386 1428 1219 -189 235 361 C ATOM 1687 CG LYS A 393 39.853 54.668 40.466 1.00 12.40 C ANISOU 1687 CG LYS A 393 1583 1701 1428 -297 314 361 C ATOM 1688 CD LYS A 393 39.781 54.111 41.852 1.00 47.12 C ANISOU 1688 CD LYS A 393 6253 5984 5667 -144 436 453 C ATOM 1689 CE LYS A 393 38.384 54.259 42.398 1.00 47.23 C ANISOU 1689 CE LYS A 393 6275 5981 5690 -317 601 449 C ATOM 1690 NZ LYS A 393 38.329 53.892 43.822 1.00 44.40 N ANISOU 1690 NZ LYS A 393 6194 5514 5159 -128 728 553 N ATOM 0 H LYS A 393 42.761 56.320 39.101 1.00 8.79 H new ATOM 0 HA LYS A 393 42.453 54.591 41.174 1.00 10.36 H new ATOM 0 HB2 LYS A 393 40.977 54.417 38.783 1.00 10.61 H new ATOM 0 HB3 LYS A 393 41.093 53.209 39.763 1.00 10.61 H new ATOM 0 HG2 LYS A 393 39.868 55.637 40.509 1.00 12.40 H new ATOM 0 HG3 LYS A 393 39.054 54.418 39.976 1.00 12.40 H new ATOM 0 HD2 LYS A 393 40.036 53.175 41.846 1.00 47.12 H new ATOM 0 HD3 LYS A 393 40.411 54.573 42.427 1.00 47.12 H new ATOM 0 HE2 LYS A 393 38.085 55.175 42.285 1.00 47.23 H new ATOM 0 HE3 LYS A 393 37.775 53.698 41.893 1.00 47.23 H new ATOM 0 HZ1 LYS A 393 37.503 54.015 44.129 1.00 44.40 H new ATOM 0 HZ2 LYS A 393 38.556 53.037 43.917 1.00 44.40 H new ATOM 0 HZ3 LYS A 393 38.895 54.402 44.282 1.00 44.40 H new ATOM 1704 N PRO A 394 44.773 54.174 39.998 1.00 11.69 N ANISOU 1704 N PRO A 394 1543 1607 1293 436 -138 302 N ATOM 1705 CA PRO A 394 45.928 53.615 39.296 1.00 11.82 C ANISOU 1705 CA PRO A 394 1579 1568 1345 533 -193 269 C ATOM 1706 C PRO A 394 46.004 52.092 39.314 1.00 14.71 C ANISOU 1706 C PRO A 394 2259 1750 1578 584 -49 366 C ATOM 1707 O PRO A 394 46.498 51.529 38.343 1.00 14.26 O ANISOU 1707 O PRO A 394 2210 1621 1586 532 -35 358 O ATOM 1708 CB PRO A 394 47.119 54.239 40.045 1.00 12.30 C ANISOU 1708 CB PRO A 394 1533 1734 1405 763 -360 140 C ATOM 1709 CG PRO A 394 46.614 54.540 41.379 1.00 14.64 C ANISOU 1709 CG PRO A 394 1902 2085 1573 852 -354 149 C ATOM 1710 CD PRO A 394 45.180 54.952 41.179 1.00 12.13 C ANISOU 1710 CD PRO A 394 1537 1787 1284 659 -274 244 C ATOM 0 HA PRO A 394 45.895 53.819 38.348 1.00 11.82 H new ATOM 0 HB2 PRO A 394 47.869 53.625 40.084 1.00 12.30 H new ATOM 0 HB3 PRO A 394 47.432 55.042 39.599 1.00 12.30 H new ATOM 0 HG2 PRO A 394 46.678 53.766 41.960 1.00 14.64 H new ATOM 0 HG3 PRO A 394 47.127 55.250 41.795 1.00 14.64 H new ATOM 0 HD2 PRO A 394 44.635 54.741 41.953 1.00 12.13 H new ATOM 0 HD3 PRO A 394 45.099 55.906 41.026 1.00 12.13 H new ATOM 1718 N GLU A 395 45.550 51.437 40.374 1.00 15.84 N ANISOU 1718 N GLU A 395 2673 1803 1542 695 80 458 N ATOM 1719 CA GLU A 395 45.610 49.983 40.416 1.00 18.74 C ANISOU 1719 CA GLU A 395 3373 1958 1788 754 273 559 C ATOM 1720 C GLU A 395 44.698 49.404 39.345 1.00 17.22 C ANISOU 1720 C GLU A 395 3170 1643 1731 409 465 569 C ATOM 1721 O GLU A 395 45.084 48.497 38.601 1.00 17.84 O ANISOU 1721 O GLU A 395 3344 1600 1834 374 539 581 O ATOM 1722 CB GLU A 395 45.221 49.465 41.803 1.00 20.11 C ANISOU 1722 CB GLU A 395 3792 2065 1784 911 417 606 C ATOM 1723 CG GLU A 395 46.214 49.848 42.902 1.00 21.99 C ANISOU 1723 CG GLU A 395 4012 2457 1886 1245 238 513 C ATOM 1724 CD GLU A 395 46.060 51.284 43.395 1.00 34.57 C ANISOU 1724 CD GLU A 395 5358 4249 3527 1258 56 436 C ATOM 1725 OE1 GLU A 395 45.008 51.897 43.149 1.00 25.26 O ANISOU 1725 OE1 GLU A 395 4096 3078 2424 1060 98 505 O ATOM 1726 OE2 GLU A 395 46.997 51.806 44.039 1.00 23.28 O ANISOU 1726 OE2 GLU A 395 3809 2977 2061 1436 -109 283 O ATOM 0 H GLU A 395 45.208 51.809 41.070 1.00 15.84 H new ATOM 0 HA GLU A 395 46.520 49.698 40.240 1.00 18.74 H new ATOM 0 HB2 GLU A 395 44.345 49.811 42.035 1.00 20.11 H new ATOM 0 HB3 GLU A 395 45.145 48.499 41.769 1.00 20.11 H new ATOM 0 HG2 GLU A 395 46.103 49.243 43.652 1.00 21.99 H new ATOM 0 HG3 GLU A 395 47.117 49.724 42.569 1.00 21.99 H new ATOM 1733 N AGLU A 396 43.481 49.922 39.266 0.59 14.88 N ANISOU 1733 N AGLU A 396 2740 1391 1523 165 540 540 N ATOM 1734 N BGLU A 396 43.482 49.928 39.254 0.41 14.86 N ANISOU 1734 N BGLU A 396 2735 1390 1523 163 539 539 N ATOM 1735 CA AGLU A 396 42.542 49.462 38.253 0.59 14.74 C ANISOU 1735 CA AGLU A 396 2655 1302 1641 -149 696 484 C ATOM 1736 CA BGLU A 396 42.540 49.455 38.245 0.41 14.74 C ANISOU 1736 CA BGLU A 396 2656 1301 1642 -150 697 484 C ATOM 1737 C AGLU A 396 43.076 49.765 36.854 0.59 13.13 C ANISOU 1737 C AGLU A 396 2228 1197 1566 -226 538 404 C ATOM 1738 C BGLU A 396 43.052 49.772 36.843 0.41 13.12 C ANISOU 1738 C BGLU A 396 2223 1197 1567 -232 539 403 C ATOM 1739 O AGLU A 396 43.020 48.914 35.963 0.59 13.53 O ANISOU 1739 O AGLU A 396 2320 1147 1673 -347 636 373 O ATOM 1740 O BGLU A 396 42.943 48.944 35.937 0.41 13.50 O ANISOU 1740 O BGLU A 396 2305 1148 1675 -362 639 367 O ATOM 1741 CB AGLU A 396 41.169 50.102 38.470 0.59 14.47 C ANISOU 1741 CB AGLU A 396 2471 1349 1676 -355 757 422 C ATOM 1742 CB BGLU A 396 41.155 50.071 38.463 0.41 14.51 C ANISOU 1742 CB BGLU A 396 2478 1351 1682 -357 761 421 C ATOM 1743 CG AGLU A 396 40.433 49.597 39.721 0.59 16.43 C ANISOU 1743 CG AGLU A 396 2900 1494 1847 -303 920 446 C ATOM 1744 CG BGLU A 396 40.562 49.782 39.840 0.41 16.23 C ANISOU 1744 CG BGLU A 396 2877 1488 1802 -270 895 465 C ATOM 1745 CD AGLU A 396 40.862 50.294 41.013 0.59 21.10 C ANISOU 1745 CD AGLU A 396 3605 2136 2276 -60 855 557 C ATOM 1746 CD BGLU A 396 39.087 50.140 39.940 0.41 16.37 C ANISOU 1746 CD BGLU A 396 2732 1567 1921 -474 949 361 C ATOM 1747 OE1AGLU A 396 40.270 49.999 42.082 0.59 22.39 O ANISOU 1747 OE1AGLU A 396 3912 2222 2374 1 982 576 O ATOM 1748 OE1BGLU A 396 38.422 50.242 38.887 0.41 32.29 O ANISOU 1748 OE1BGLU A 396 4530 3670 4067 -648 894 231 O ATOM 1749 OE2AGLU A 396 41.784 51.137 40.975 0.59 15.16 O ANISOU 1749 OE2AGLU A 396 2732 1537 1493 102 619 563 O ATOM 1750 OE2BGLU A 396 38.593 50.321 41.075 0.41 19.43 O ANISOU 1750 OE2BGLU A 396 3214 1926 2241 -414 1025 402 O ATOM 0 H AGLU A 396 43.180 50.537 39.786 0.59 14.86 H new ATOM 0 H BGLU A 396 43.183 50.554 39.762 0.41 14.86 H new ATOM 0 HA AGLU A 396 42.442 48.501 38.334 0.59 14.74 H new ATOM 0 HA BGLU A 396 42.461 48.492 38.333 0.41 14.74 H new ATOM 0 HB2AGLU A 396 41.278 51.064 38.536 0.59 14.51 H new ATOM 0 HB2BGLU A 396 41.215 51.031 38.341 0.41 14.51 H new ATOM 0 HB3AGLU A 396 40.617 49.932 37.691 0.59 14.51 H new ATOM 0 HB3BGLU A 396 40.550 49.735 37.783 0.41 14.51 H new ATOM 0 HG2AGLU A 396 39.479 49.722 39.597 0.59 16.23 H new ATOM 0 HG2BGLU A 396 40.676 48.841 40.044 0.41 16.23 H new ATOM 0 HG3AGLU A 396 40.585 48.643 39.812 0.59 16.23 H new ATOM 0 HG3BGLU A 396 41.056 50.279 40.510 0.41 16.23 H new ATOM 1763 N TYR A 397 43.607 50.966 36.659 1.00 11.53 N ANISOU 1763 N TYR A 397 1797 1173 1412 -150 317 366 N ATOM 1764 CA TYR A 397 44.166 51.341 35.366 1.00 10.23 C ANISOU 1764 CA TYR A 397 1446 1079 1361 -190 202 306 C ATOM 1765 C TYR A 397 45.303 50.420 34.951 1.00 11.17 C ANISOU 1765 C TYR A 397 1701 1081 1462 -72 197 330 C ATOM 1766 O TYR A 397 45.401 49.991 33.794 1.00 10.52 O ANISOU 1766 O TYR A 397 1586 962 1448 -171 220 299 O ATOM 1767 CB TYR A 397 44.700 52.792 35.370 1.00 9.44 C ANISOU 1767 CB TYR A 397 1113 1142 1332 -97 23 264 C ATOM 1768 CG TYR A 397 45.446 53.046 34.105 1.00 9.98 C ANISOU 1768 CG TYR A 397 1055 1227 1510 -97 -39 221 C ATOM 1769 CD1 TYR A 397 44.772 53.307 32.928 1.00 10.38 C ANISOU 1769 CD1 TYR A 397 993 1330 1621 -245 -9 188 C ATOM 1770 CD2 TYR A 397 46.817 52.948 34.059 1.00 9.84 C ANISOU 1770 CD2 TYR A 397 1045 1171 1524 71 -118 201 C ATOM 1771 CE1 TYR A 397 45.446 53.490 31.754 1.00 9.39 C ANISOU 1771 CE1 TYR A 397 794 1202 1572 -216 -37 166 C ATOM 1772 CE2 TYR A 397 47.502 53.118 32.881 1.00 11.10 C ANISOU 1772 CE2 TYR A 397 1109 1315 1793 66 -137 166 C ATOM 1773 CZ TYR A 397 46.799 53.397 31.737 1.00 11.55 C ANISOU 1773 CZ TYR A 397 1084 1409 1896 -76 -87 164 C ATOM 1774 OH TYR A 397 47.469 53.561 30.555 1.00 12.66 O ANISOU 1774 OH TYR A 397 1163 1522 2123 -52 -83 143 O ATOM 0 H ATYR A 397 43.654 51.578 37.261 0.59 11.53 H new ATOM 0 H BTYR A 397 43.670 51.571 37.267 0.41 11.53 H new ATOM 0 HA TYR A 397 43.436 51.263 34.732 1.00 10.23 H new ATOM 0 HB2 TYR A 397 43.964 53.418 35.455 1.00 9.44 H new ATOM 0 HB3 TYR A 397 45.281 52.932 36.134 1.00 9.44 H new ATOM 0 HD1 TYR A 397 43.843 53.359 32.935 1.00 10.38 H new ATOM 0 HD2 TYR A 397 47.288 52.763 34.839 1.00 9.84 H new ATOM 0 HE1 TYR A 397 44.980 53.677 30.971 1.00 9.39 H new ATOM 0 HE2 TYR A 397 48.429 53.045 32.859 1.00 11.10 H new ATOM 0 HH TYR A 397 48.271 53.331 30.653 1.00 12.66 H new ATOM 1784 N ASER A 398 46.153 50.074 35.926 0.56 12.26 N ANISOU 1784 N ASER A 398 2003 1169 1488 166 162 377 N ATOM 1785 N BSER A 398 46.177 50.106 35.905 0.22 12.62 N ANISOU 1785 N BSER A 398 2040 1218 1537 168 156 375 N ATOM 1786 N CSER A 398 46.165 50.119 35.916 0.22 12.42 N ANISOU 1786 N CSER A 398 2014 1195 1511 167 156 375 N ATOM 1787 CA ASER A 398 47.368 49.306 35.670 0.56 12.77 C ANISOU 1787 CA ASER A 398 2186 1148 1518 334 125 387 C ATOM 1788 CA BSER A 398 47.376 49.340 35.604 0.22 13.05 C ANISOU 1788 CA BSER A 398 2208 1187 1562 326 121 383 C ATOM 1789 CA CSER A 398 47.350 49.336 35.651 0.22 12.72 C ANISOU 1789 CA CSER A 398 2173 1145 1516 328 124 385 C ATOM 1790 C ASER A 398 47.079 47.931 35.110 0.56 13.77 C ANISOU 1790 C ASER A 398 2522 1088 1622 222 315 438 C ATOM 1791 C BSER A 398 47.053 47.963 35.041 0.22 13.97 C ANISOU 1791 C BSER A 398 2534 1119 1657 209 313 434 C ATOM 1792 C CSER A 398 46.995 48.029 34.966 0.22 14.24 C ANISOU 1792 C CSER A 398 2545 1161 1702 189 309 428 C ATOM 1793 O ASER A 398 47.930 47.331 34.445 0.56 13.86 O ANISOU 1793 O ASER A 398 2580 1034 1651 280 292 434 O ATOM 1794 O BSER A 398 47.853 47.403 34.289 0.22 18.10 O ANISOU 1794 O BSER A 398 3087 1582 2210 246 289 425 O ATOM 1795 O CSER A 398 47.707 47.592 34.061 0.22 17.64 O ANISOU 1795 O CSER A 398 2967 1549 2187 193 279 408 O ATOM 1796 CB ASER A 398 48.203 49.152 36.947 0.56 14.13 C ANISOU 1796 CB ASER A 398 2513 1326 1531 661 50 406 C ATOM 1797 CB BSER A 398 48.250 49.208 36.850 0.22 17.86 C ANISOU 1797 CB BSER A 398 2962 1805 2018 652 39 398 C ATOM 1798 CB CSER A 398 48.105 49.062 36.944 0.22 14.21 C ANISOU 1798 CB CSER A 398 2543 1321 1535 646 72 415 C ATOM 1799 OG ASER A 398 47.678 48.144 37.801 0.56 22.05 O ANISOU 1799 OG ASER A 398 3833 2185 2362 725 240 511 O ATOM 1800 OG BSER A 398 48.898 50.438 37.132 0.22 13.17 O ANISOU 1800 OG BSER A 398 2120 1388 1498 773 -164 286 O ATOM 1801 OG CSER A 398 49.450 48.742 36.666 0.22 14.52 O ANISOU 1801 OG CSER A 398 2578 1363 1574 828 -42 360 O ATOM 0 H ASER A 398 46.037 50.280 36.753 0.56 12.42 H new ATOM 0 H BSER A 398 46.091 50.328 36.731 0.22 12.42 H new ATOM 0 H CSER A 398 46.075 50.364 36.736 0.22 12.42 H new ATOM 0 HA ASER A 398 47.866 49.809 35.007 0.56 12.72 H new ATOM 0 HA BSER A 398 47.863 49.826 34.920 0.22 12.72 H new ATOM 0 HA CSER A 398 47.921 49.847 35.056 0.22 12.72 H new ATOM 0 HB2ASER A 398 49.118 48.932 36.711 0.56 14.21 H new ATOM 0 HB2BSER A 398 47.706 48.941 37.607 0.22 14.21 H new ATOM 0 HB2CSER A 398 48.064 49.840 37.521 0.22 14.21 H new ATOM 0 HB3ASER A 398 48.228 49.998 37.422 0.56 14.21 H new ATOM 0 HB3BSER A 398 48.911 48.511 36.716 0.22 14.21 H new ATOM 0 HB3CSER A 398 47.684 48.331 37.423 0.22 14.21 H new ATOM 0 HG ASER A 398 46.887 48.337 38.009 0.56 14.52 H new ATOM 0 HG BSER A 398 48.363 50.953 37.524 0.22 14.52 H new ATOM 0 HG CSER A 398 49.585 47.929 36.830 0.22 14.52 H new ATOM 1817 N ARG A 399 45.892 47.413 35.384 1.00 14.25 N ANISOU 1817 N ARG A 399 2702 1053 1661 57 521 468 N ATOM 1818 CA ARG A 399 45.494 46.138 34.820 1.00 15.44 C ANISOU 1818 CA ARG A 399 2942 1087 1839 -80 693 430 C ATOM 1819 C ARG A 399 45.292 46.242 33.292 1.00 14.24 C ANISOU 1819 C ARG A 399 2584 995 1833 -278 642 335 C ATOM 1820 O ARG A 399 45.367 45.223 32.581 1.00 15.00 O ANISOU 1820 O ARG A 399 2716 1030 1952 -329 710 289 O ATOM 1821 CB ARG A 399 44.222 45.620 35.513 1.00 20.83 C ANISOU 1821 CB ARG A 399 3697 1710 2507 -191 895 396 C ATOM 1822 CG ARG A 399 44.482 45.295 36.983 1.00 36.69 C ANISOU 1822 CG ARG A 399 5952 3639 4349 42 978 485 C ATOM 1823 CD ARG A 399 43.440 44.357 37.600 1.00 60.81 C ANISOU 1823 CD ARG A 399 9155 6552 7396 -29 1248 449 C ATOM 1824 NE ARG A 399 42.104 44.953 37.688 1.00 83.01 N ANISOU 1824 NE ARG A 399 11812 9419 10310 -235 1294 373 N ATOM 1825 CZ ARG A 399 41.609 45.577 38.759 1.00 82.75 C ANISOU 1825 CZ ARG A 399 11813 9409 10220 -181 1312 414 C ATOM 1826 NH1 ARG A 399 42.328 45.714 39.868 1.00 79.59 N ANISOU 1826 NH1 ARG A 399 11599 8992 9650 96 1282 526 N ATOM 1827 NH2 ARG A 399 40.379 46.073 38.716 1.00 64.70 N ANISOU 1827 NH2 ARG A 399 9360 7185 8038 -380 1342 323 N ATOM 0 H AARG A 399 45.305 47.783 35.892 0.56 14.25 H new ATOM 0 H BARG A 399 45.330 47.760 35.935 0.22 14.25 H new ATOM 0 H CARG A 399 45.365 47.719 35.991 0.22 14.25 H new ATOM 0 HA ARG A 399 46.208 45.500 34.976 1.00 15.44 H new ATOM 0 HB2 ARG A 399 43.521 46.287 35.446 1.00 20.83 H new ATOM 0 HB3 ARG A 399 43.903 44.826 35.056 1.00 20.83 H new ATOM 0 HG2 ARG A 399 45.359 44.890 37.066 1.00 36.69 H new ATOM 0 HG3 ARG A 399 44.502 46.122 37.490 1.00 36.69 H new ATOM 0 HD2 ARG A 399 43.391 43.545 37.071 1.00 60.81 H new ATOM 0 HD3 ARG A 399 43.732 44.099 38.489 1.00 60.81 H new ATOM 0 HE ARG A 399 41.599 44.896 36.994 1.00 83.01 H new ATOM 0 HH11 ARG A 399 43.127 45.398 39.904 1.00 79.59 H new ATOM 0 HH12 ARG A 399 41.994 46.119 40.549 1.00 79.59 H new ATOM 0 HH21 ARG A 399 39.907 45.991 38.002 1.00 64.70 H new ATOM 0 HH22 ARG A 399 40.054 46.476 39.402 1.00 64.70 H new ATOM 1841 N PHE A 400 45.062 47.451 32.777 1.00 11.47 N ANISOU 1841 N PHE A 400 1597 1665 1097 -133 251 374 N ATOM 1842 CA PHE A 400 44.880 47.633 31.332 1.00 11.07 C ANISOU 1842 CA PHE A 400 1444 1643 1119 -310 224 444 C ATOM 1843 C PHE A 400 46.179 47.771 30.550 1.00 10.67 C ANISOU 1843 C PHE A 400 1376 1573 1104 -292 171 400 C ATOM 1844 O PHE A 400 46.266 47.370 29.403 1.00 10.73 O ANISOU 1844 O PHE A 400 1405 1599 1072 -442 194 434 O ATOM 1845 CB PHE A 400 44.059 48.888 31.019 1.00 11.15 C ANISOU 1845 CB PHE A 400 1231 1715 1289 -354 151 495 C ATOM 1846 CG PHE A 400 42.600 48.760 31.289 1.00 12.52 C ANISOU 1846 CG PHE A 400 1328 1974 1453 -429 212 544 C ATOM 1847 CD1 PHE A 400 42.092 48.974 32.560 1.00 12.75 C ANISOU 1847 CD1 PHE A 400 1327 2049 1467 -300 278 474 C ATOM 1848 CD2 PHE A 400 41.713 48.517 30.244 1.00 19.45 C ANISOU 1848 CD2 PHE A 400 2153 2894 2342 -599 186 608 C ATOM 1849 CE1 PHE A 400 40.727 48.889 32.812 1.00 14.03 C ANISOU 1849 CE1 PHE A 400 1361 2346 1624 -377 362 499 C ATOM 1850 CE2 PHE A 400 40.353 48.424 30.489 1.00 23.02 C ANISOU 1850 CE2 PHE A 400 2495 3445 2805 -651 225 621 C ATOM 1851 CZ PHE A 400 39.862 48.607 31.767 1.00 15.19 C ANISOU 1851 CZ PHE A 400 1403 2572 1797 -585 344 604 C ATOM 0 H PHE A 400 45.008 48.173 33.241 1.00 11.47 H new ATOM 0 HA PHE A 400 44.425 46.822 31.057 1.00 11.07 H new ATOM 0 HB2 PHE A 400 44.409 49.627 31.541 1.00 11.15 H new ATOM 0 HB3 PHE A 400 44.184 49.117 30.085 1.00 11.15 H new ATOM 0 HD1 PHE A 400 42.674 49.178 33.256 1.00 12.75 H new ATOM 0 HD2 PHE A 400 42.035 48.417 29.377 1.00 19.45 H new ATOM 0 HE1 PHE A 400 40.399 49.020 33.672 1.00 14.03 H new ATOM 0 HE2 PHE A 400 39.768 48.238 29.790 1.00 23.02 H new ATOM 0 HZ PHE A 400 38.948 48.541 31.927 1.00 15.19 H new ATOM 1861 N GLU A 401 47.173 48.398 31.150 1.00 10.66 N ANISOU 1861 N GLU A 401 1318 1562 1170 -129 102 314 N ATOM 1862 CA GLU A 401 48.403 48.717 30.419 1.00 10.71 C ANISOU 1862 CA GLU A 401 1237 1604 1228 -144 60 265 C ATOM 1863 C GLU A 401 49.483 47.641 30.644 1.00 11.29 C ANISOU 1863 C GLU A 401 1414 1665 1211 5 97 156 C ATOM 1864 O GLU A 401 49.832 47.303 31.770 1.00 12.57 O ANISOU 1864 O GLU A 401 1662 1780 1334 200 61 95 O ATOM 1865 CB GLU A 401 48.941 50.106 30.814 1.00 10.79 C ANISOU 1865 CB GLU A 401 1095 1621 1383 -94 -58 229 C ATOM 1866 CG GLU A 401 50.099 50.534 29.920 1.00 11.26 C ANISOU 1866 CG GLU A 401 1033 1755 1490 -198 -86 203 C ATOM 1867 CD GLU A 401 50.597 51.975 30.072 1.00 12.61 C ANISOU 1867 CD GLU A 401 1074 1913 1805 -244 -215 196 C ATOM 1868 OE1 GLU A 401 50.079 52.772 30.891 1.00 13.77 O ANISOU 1868 OE1 GLU A 401 1229 1966 2037 -162 -303 191 O ATOM 1869 OE2 GLU A 401 51.579 52.305 29.366 1.00 15.92 O ANISOU 1869 OE2 GLU A 401 1385 2418 2244 -375 -221 179 O ATOM 0 H GLU A 401 47.165 48.649 31.972 1.00 10.66 H new ATOM 0 HA GLU A 401 48.182 48.732 29.475 1.00 10.71 H new ATOM 0 HB2 GLU A 401 48.227 50.759 30.754 1.00 10.79 H new ATOM 0 HB3 GLU A 401 49.234 50.089 31.739 1.00 10.79 H new ATOM 0 HG2 GLU A 401 50.846 49.938 30.087 1.00 11.26 H new ATOM 0 HG3 GLU A 401 49.832 50.403 28.997 1.00 11.26 H new ATOM 1876 N ALA A 402 49.967 47.080 29.553 1.00 11.64 N ANISOU 1876 N ALA A 402 1462 1751 1210 -79 161 128 N ATOM 1877 CA ALA A 402 50.992 46.051 29.626 1.00 12.71 C ANISOU 1877 CA ALA A 402 1674 1871 1284 99 193 -1 C ATOM 1878 C ALA A 402 52.216 46.523 30.401 1.00 13.33 C ANISOU 1878 C ALA A 402 1605 2014 1447 304 97 -112 C ATOM 1879 O ALA A 402 52.653 47.663 30.267 1.00 13.21 O ANISOU 1879 O ALA A 402 1382 2102 1537 223 43 -117 O ATOM 1880 CB ALA A 402 51.396 45.614 28.237 1.00 13.47 C ANISOU 1880 CB ALA A 402 1745 2045 1329 -27 293 -54 C ATOM 0 H ALA A 402 49.716 47.280 28.755 1.00 11.64 H new ATOM 0 HA ALA A 402 50.613 45.296 30.103 1.00 12.71 H new ATOM 0 HB1 ALA A 402 52.079 44.928 28.299 1.00 13.47 H new ATOM 0 HB2 ALA A 402 50.623 45.258 27.772 1.00 13.47 H new ATOM 0 HB3 ALA A 402 51.746 46.375 27.747 1.00 13.47 H new ATOM 1886 N ASN A 403 52.730 45.606 31.214 1.00 14.33 N ANISOU 1886 N ASN A 403 1864 2062 1520 557 54 -190 N ATOM 1887 CA ASN A 403 53.969 45.796 31.971 1.00 17.84 C ANISOU 1887 CA ASN A 403 2175 2576 2027 789 -67 -311 C ATOM 1888 C ASN A 403 53.928 46.957 32.950 1.00 14.94 C ANISOU 1888 C ASN A 403 1713 2238 1724 786 -188 -288 C ATOM 1889 O ASN A 403 54.967 47.482 33.322 1.00 20.99 O ANISOU 1889 O ASN A 403 2295 3113 2569 879 -296 -387 O ATOM 1890 CB ASN A 403 55.142 46.009 31.016 1.00 27.38 C ANISOU 1890 CB ASN A 403 3110 3976 3316 770 -24 -440 C ATOM 1891 CG ASN A 403 55.298 44.889 30.028 1.00 38.12 C ANISOU 1891 CG ASN A 403 4554 5323 4605 800 108 -516 C ATOM 1892 OD1 ASN A 403 55.488 45.128 28.838 1.00 45.89 O ANISOU 1892 OD1 ASN A 403 5400 6449 5588 610 231 -550 O ATOM 1893 ND2 ASN A 403 55.216 43.654 30.508 1.00 21.76 N ANISOU 1893 ND2 ASN A 403 2742 3068 2457 1027 79 -547 N ATOM 0 H ASN A 403 52.363 44.840 31.345 1.00 14.33 H new ATOM 0 HA ASN A 403 54.079 44.985 32.492 1.00 17.84 H new ATOM 0 HB2 ASN A 403 55.016 46.843 30.536 1.00 27.38 H new ATOM 0 HB3 ASN A 403 55.960 46.098 31.530 1.00 27.38 H new ATOM 0 HD21 ASN A 403 55.297 42.981 29.979 1.00 21.76 H new ATOM 0 HD22 ASN A 403 55.082 43.527 31.348 1.00 21.76 H new ATOM 1900 N ASER A 404 52.731 47.390 33.342 0.57 16.26 N ANISOU 1900 N ASER A 404 1991 2326 1861 674 -169 -178 N ATOM 1901 N BSER A 404 52.730 47.308 33.405 0.43 16.02 N ANISOU 1901 N BSER A 404 1978 2288 1822 689 -171 -179 N ATOM 1902 CA ASER A 404 52.609 48.521 34.254 0.57 15.67 C ANISOU 1902 CA ASER A 404 1852 2261 1842 684 -271 -188 C ATOM 1903 CA BSER A 404 52.546 48.473 34.256 0.43 16.71 C ANISOU 1903 CA BSER A 404 1996 2387 1968 683 -265 -182 C ATOM 1904 C ASER A 404 52.311 48.027 35.659 0.57 14.36 C ANISOU 1904 C ASER A 404 1901 2014 1539 858 -324 -191 C ATOM 1905 C BSER A 404 52.156 48.081 35.668 0.43 20.04 C ANISOU 1905 C BSER A 404 2628 2729 2257 842 -314 -181 C ATOM 1906 O ASER A 404 51.870 46.892 35.877 0.57 17.23 O ANISOU 1906 O ASER A 404 2493 2289 1765 911 -266 -135 O ATOM 1907 O BSER A 404 51.493 47.067 35.897 0.43 15.73 O ANISOU 1907 O BSER A 404 2307 2096 1572 861 -240 -112 O ATOM 1908 CB ASER A 404 51.525 49.508 33.788 0.57 13.93 C ANISOU 1908 CB ASER A 404 1574 2022 1698 477 -226 -95 C ATOM 1909 CB BSER A 404 51.494 49.392 33.647 0.43 15.82 C ANISOU 1909 CB BSER A 404 1818 2262 1931 465 -210 -87 C ATOM 1910 OG ASER A 404 50.238 49.116 34.208 0.57 14.64 O ANISOU 1910 OG ASER A 404 1822 2044 1697 463 -148 -18 O ATOM 1911 OG BSER A 404 51.839 49.649 32.299 0.43 15.20 O ANISOU 1911 OG BSER A 404 1597 2253 1924 288 -169 -60 O ATOM 0 H ASER A 404 51.984 47.045 33.093 0.57 16.02 H new ATOM 0 H BSER A 404 52.006 46.879 33.229 0.43 16.02 H new ATOM 0 HA ASER A 404 53.455 48.996 34.258 0.57 16.71 H new ATOM 0 HA BSER A 404 53.392 48.944 34.311 0.43 16.71 H new ATOM 0 HB2ASER A 404 51.723 50.392 34.136 0.57 15.82 H new ATOM 0 HB2BSER A 404 50.618 48.979 33.697 0.43 15.82 H new ATOM 0 HB3ASER A 404 51.543 49.573 32.820 0.57 15.82 H new ATOM 0 HB3BSER A 404 51.445 50.223 34.145 0.43 15.82 H new ATOM 0 HG ASER A 404 49.917 48.570 33.656 0.57 15.20 H new ATOM 0 HG BSER A 404 52.418 50.257 32.269 0.43 15.20 H new ATOM 1922 N ARG A 405 52.581 48.894 36.622 1.00 14.56 N ANISOU 1922 N ARG A 405 1881 2066 1585 926 -442 -258 N ATOM 1923 CA ARG A 405 52.347 48.600 38.007 1.00 17.41 C ANISOU 1923 CA ARG A 405 2450 2383 1784 1067 -499 -270 C ATOM 1924 C ARG A 405 52.285 49.913 38.755 1.00 15.74 C ANISOU 1924 C ARG A 405 2159 2200 1619 1056 -583 -354 C ATOM 1925 O ARG A 405 52.597 50.973 38.210 1.00 15.41 O ANISOU 1925 O ARG A 405 1917 2186 1751 955 -629 -398 O ATOM 1926 CB ARG A 405 53.441 47.690 38.575 1.00 17.11 C ANISOU 1926 CB ARG A 405 2506 2339 1657 1290 -638 -317 C ATOM 1927 CG ARG A 405 54.810 48.254 38.404 1.00 17.99 C ANISOU 1927 CG ARG A 405 2360 2562 1912 1320 -764 -439 C ATOM 1928 CD ARG A 405 55.879 47.241 38.743 1.00 19.96 C ANISOU 1928 CD ARG A 405 2663 2809 2113 1477 -847 -488 C ATOM 1929 NE ARG A 405 57.181 47.795 38.404 1.00 21.06 N ANISOU 1929 NE ARG A 405 2509 3090 2404 1455 -919 -600 N ATOM 1930 CZ ARG A 405 57.844 48.664 39.153 1.00 22.17 C ANISOU 1930 CZ ARG A 405 2545 3298 2581 1436 -1044 -678 C ATOM 1931 NH1 ARG A 405 57.348 49.081 40.308 1.00 22.32 N ANISOU 1931 NH1 ARG A 405 2734 3257 2491 1460 -1120 -679 N ATOM 1932 NH2 ARG A 405 59.009 49.117 38.725 1.00 23.48 N ANISOU 1932 NH2 ARG A 405 2436 3602 2882 1386 -1088 -763 N ATOM 0 H AARG A 405 52.909 49.676 36.480 0.57 14.56 H new ATOM 0 H BARG A 405 53.010 49.625 36.478 0.43 14.56 H new ATOM 0 HA ARG A 405 51.510 48.120 38.107 1.00 17.41 H new ATOM 0 HB2 ARG A 405 53.273 47.540 39.519 1.00 17.11 H new ATOM 0 HB3 ARG A 405 53.395 46.825 38.138 1.00 17.11 H new ATOM 0 HG2 ARG A 405 54.925 48.552 37.488 1.00 17.99 H new ATOM 0 HG3 ARG A 405 54.912 49.034 38.971 1.00 17.99 H new ATOM 0 HD2 ARG A 405 55.844 47.020 39.687 1.00 19.96 H new ATOM 0 HD3 ARG A 405 55.728 46.417 38.253 1.00 19.96 H new ATOM 0 HE ARG A 405 57.545 47.541 37.667 1.00 21.06 H new ATOM 0 HH11 ARG A 405 56.587 48.788 40.580 1.00 22.32 H new ATOM 0 HH12 ARG A 405 57.787 49.645 40.786 1.00 22.32 H new ATOM 0 HH21 ARG A 405 59.325 48.847 37.972 1.00 23.48 H new ATOM 0 HH22 ARG A 405 59.452 49.681 39.200 1.00 23.48 H new ATOM 1946 N VAL A 406 51.867 49.834 40.006 1.00 16.83 N ANISOU 1946 N VAL A 406 2488 2322 1585 1143 -601 -378 N ATOM 1947 CA VAL A 406 51.732 51.013 40.831 1.00 17.37 C ANISOU 1947 CA VAL A 406 2530 2406 1663 1153 -670 -492 C ATOM 1948 C VAL A 406 52.825 50.935 41.881 1.00 19.15 C ANISOU 1948 C VAL A 406 2831 2671 1775 1305 -877 -588 C ATOM 1949 O VAL A 406 52.985 49.901 42.524 1.00 20.18 O ANISOU 1949 O VAL A 406 3166 2795 1706 1421 -913 -538 O ATOM 1950 CB VAL A 406 50.352 51.083 41.468 1.00 17.59 C ANISOU 1950 CB VAL A 406 2696 2430 1558 1125 -511 -480 C ATOM 1951 CG1 VAL A 406 50.197 52.338 42.276 1.00 18.91 C ANISOU 1951 CG1 VAL A 406 2841 2600 1743 1164 -569 -639 C ATOM 1952 CG2 VAL A 406 49.284 51.046 40.411 1.00 18.11 C ANISOU 1952 CG2 VAL A 406 2660 2482 1739 984 -338 -377 C ATOM 0 H VAL A 406 51.655 49.098 40.398 1.00 16.83 H new ATOM 0 HA VAL A 406 51.824 51.820 40.301 1.00 17.37 H new ATOM 0 HB VAL A 406 50.259 50.315 42.053 1.00 17.59 H new ATOM 0 HG11 VAL A 406 49.312 52.361 42.672 1.00 18.91 H new ATOM 0 HG12 VAL A 406 50.865 52.355 42.979 1.00 18.91 H new ATOM 0 HG13 VAL A 406 50.314 53.110 41.701 1.00 18.91 H new ATOM 0 HG21 VAL A 406 48.411 51.091 40.831 1.00 18.11 H new ATOM 0 HG22 VAL A 406 49.394 51.802 39.813 1.00 18.11 H new ATOM 0 HG23 VAL A 406 49.357 50.221 39.906 1.00 18.11 H new ATOM 1962 N ASP A 407 53.576 52.011 42.058 1.00 20.01 N ANISOU 1962 N ASP A 407 2791 2810 2003 1292 -1035 -717 N ATOM 1963 CA ASP A 407 54.649 51.976 43.051 1.00 22.05 C ANISOU 1963 CA ASP A 407 3090 3111 2177 1392 -1221 -809 C ATOM 1964 C ASP A 407 54.177 52.443 44.426 1.00 24.08 C ANISOU 1964 C ASP A 407 3555 3360 2235 1445 -1266 -901 C ATOM 1965 O ASP A 407 52.997 52.736 44.621 1.00 23.11 O ANISOU 1965 O ASP A 407 3544 3217 2020 1419 -1128 -919 O ATOM 1966 CB ASP A 407 55.859 52.779 42.572 1.00 23.68 C ANISOU 1966 CB ASP A 407 3032 3358 2607 1284 -1326 -888 C ATOM 1967 CG ASP A 407 55.638 54.266 42.550 1.00 22.78 C ANISOU 1967 CG ASP A 407 2839 3198 2616 1160 -1392 -991 C ATOM 1968 OD1 ASP A 407 54.670 54.788 43.156 1.00 22.88 O ANISOU 1968 OD1 ASP A 407 3006 3154 2532 1201 -1394 -1064 O ATOM 1969 OD2 ASP A 407 56.484 54.940 41.915 1.00 28.03 O ANISOU 1969 OD2 ASP A 407 3298 3884 3468 1007 -1442 -1010 O ATOM 0 H ASP A 407 53.490 52.752 41.630 1.00 20.01 H new ATOM 0 HA ASP A 407 54.921 51.050 43.150 1.00 22.05 H new ATOM 0 HB2 ASP A 407 56.614 52.582 43.148 1.00 23.68 H new ATOM 0 HB3 ASP A 407 56.098 52.484 41.680 1.00 23.68 H new ATOM 1974 N ASER A 408 55.113 52.497 45.375 0.57 33.06 N ANISOU 1974 N ASER A 408 4725 4517 3319 1496 -1413 -962 N ATOM 1975 N BSER A 408 55.106 52.498 45.377 0.43 32.72 N ANISOU 1975 N BSER A 408 4682 4474 3275 1496 -1412 -962 N ATOM 1976 CA ASER A 408 54.797 52.790 46.773 0.57 37.00 C ANISOU 1976 CA ASER A 408 5435 5018 3607 1530 -1445 -1029 C ATOM 1977 CA BSER A 408 54.779 52.803 46.768 0.43 36.49 C ANISOU 1977 CA BSER A 408 5370 4952 3541 1529 -1443 -1030 C ATOM 1978 C ASER A 408 54.186 54.169 46.957 0.57 38.81 C ANISOU 1978 C ASER A 408 5644 5218 3882 1459 -1422 -1186 C ATOM 1979 C BSER A 408 54.142 54.172 46.927 0.43 39.63 C ANISOU 1979 C BSER A 408 5748 5322 3988 1457 -1415 -1185 C ATOM 1980 O ASER A 408 53.479 54.415 47.936 0.57 40.39 O ANISOU 1980 O ASER A 408 6019 5425 3902 1468 -1341 -1244 O ATOM 1981 O BSER A 408 53.385 54.410 47.870 0.43 39.63 O ANISOU 1981 O BSER A 408 5921 5327 3810 1466 -1324 -1240 O ATOM 1982 CB ASER A 408 56.058 52.673 47.642 0.57 31.69 C ANISOU 1982 CB ASER A 408 4766 4383 2891 1582 -1650 -1067 C ATOM 1983 CB BSER A 408 56.040 52.728 47.629 0.43 31.65 C ANISOU 1983 CB BSER A 408 4757 4378 2891 1578 -1649 -1072 C ATOM 1984 OG ASER A 408 57.039 53.622 47.260 0.57 32.14 O ANISOU 1984 OG ASER A 408 4580 4470 3163 1501 -1787 -1176 O ATOM 1985 OG BSER A 408 56.921 51.748 47.121 0.43 31.70 O ANISOU 1985 OG BSER A 408 4668 4400 2978 1644 -1700 -985 O ATOM 0 H ASER A 408 55.949 52.365 45.225 0.57 32.72 H new ATOM 0 H BSER A 408 55.943 52.360 45.235 0.43 32.72 H new ATOM 0 HA ASER A 408 54.138 52.135 47.052 0.57 36.49 H new ATOM 0 HA BSER A 408 54.133 52.141 47.060 0.43 36.49 H new ATOM 0 HB2ASER A 408 55.824 52.805 48.574 0.57 31.65 H new ATOM 0 HB2BSER A 408 56.481 53.592 47.644 0.43 31.65 H new ATOM 0 HB3ASER A 408 56.424 51.778 47.565 0.57 31.65 H new ATOM 0 HB3BSER A 408 55.802 52.515 48.545 0.43 31.65 H new ATOM 0 HG ASER A 408 57.716 53.538 47.750 0.57 31.70 H new ATOM 0 HG BSER A 408 57.611 51.716 47.600 0.43 31.70 H new ATOM 1996 N ASER A 409 54.467 55.070 46.021 0.57 26.73 N ANISOU 1996 N ASER A 409 3904 3645 2605 1370 -1482 -1254 N ATOM 1997 N BSER A 409 54.461 55.071 46.004 0.43 27.78 N ANISOU 1997 N BSER A 409 4036 3778 2740 1369 -1481 -1253 N ATOM 1998 CA ASER A 409 53.978 56.435 46.112 0.57 27.28 C ANISOU 1998 CA ASER A 409 3970 3620 2775 1306 -1489 -1410 C ATOM 1999 CA BSER A 409 53.989 56.441 46.085 0.43 27.25 C ANISOU 1999 CA BSER A 409 3961 3616 2776 1304 -1491 -1409 C ATOM 2000 C ASER A 409 52.682 56.627 45.326 0.57 30.05 C ANISOU 2000 C ASER A 409 4308 3901 3209 1297 -1302 -1401 C ATOM 2001 C BSER A 409 52.689 56.632 45.309 0.43 33.36 C ANISOU 2001 C BSER A 409 4724 4319 3631 1295 -1302 -1399 C ATOM 2002 O ASER A 409 52.220 57.751 45.162 0.57 30.84 O ANISOU 2002 O ASER A 409 4379 3872 3468 1260 -1295 -1506 O ATOM 2003 O BSER A 409 52.228 57.757 45.135 0.43 34.43 O ANISOU 2003 O BSER A 409 4829 4324 3928 1258 -1296 -1504 O ATOM 2004 CB ASER A 409 55.035 57.412 45.603 0.57 32.22 C ANISOU 2004 CB ASER A 409 4405 4192 3646 1166 -1668 -1470 C ATOM 2005 CB BSER A 409 55.059 57.394 45.558 0.43 31.54 C ANISOU 2005 CB BSER A 409 4310 4107 3566 1163 -1669 -1465 C ATOM 2006 OG ASER A 409 55.212 57.277 44.205 0.57 27.93 O ANISOU 2006 OG ASER A 409 3658 3646 3309 1062 -1638 -1360 O ATOM 2007 OG BSER A 409 56.309 57.122 46.166 0.43 34.65 O ANISOU 2007 OG BSER A 409 4665 4594 3908 1161 -1809 -1464 O ATOM 0 H ASER A 409 54.942 54.907 45.323 0.57 27.78 H new ATOM 0 H BSER A 409 54.953 54.904 45.319 0.43 27.78 H new ATOM 0 HA ASER A 409 53.792 56.614 47.047 0.57 27.25 H new ATOM 0 HA BSER A 409 53.810 56.640 47.017 0.43 27.25 H new ATOM 0 HB2ASER A 409 54.770 58.321 45.813 0.57 31.54 H new ATOM 0 HB2BSER A 409 55.135 57.303 44.595 0.43 31.54 H new ATOM 0 HB3ASER A 409 55.877 57.250 46.057 0.57 31.54 H new ATOM 0 HB3BSER A 409 54.799 58.311 45.737 0.43 31.54 H new ATOM 0 HG ASER A 409 55.053 56.484 43.978 0.57 34.65 H new ATOM 0 HG BSER A 409 56.888 57.652 45.866 0.43 34.65 H new ATOM 2018 N GLY A 410 52.098 55.533 44.845 1.00 27.06 N ANISOU 2018 N GLY A 410 3932 3577 2771 1312 -1118 -1221 N ATOM 2019 CA GLY A 410 50.859 55.607 44.083 1.00 23.41 C ANISOU 2019 CA GLY A 410 3400 3067 2426 1268 -899 -1138 C ATOM 2020 C GLY A 410 50.991 55.985 42.616 1.00 21.74 C ANISOU 2020 C GLY A 410 2976 2775 2510 1140 -911 -1027 C ATOM 2021 O GLY A 410 49.993 56.244 41.946 1.00 21.70 O ANISOU 2021 O GLY A 410 2902 2717 2627 1103 -783 -965 O ATOM 0 H AGLY A 410 52.405 54.737 44.950 0.57 27.06 H new ATOM 0 H BGLY A 410 52.400 54.736 44.962 0.43 27.06 H new ATOM 0 HA2 GLY A 410 50.417 54.745 44.137 1.00 23.41 H new ATOM 0 HA3 GLY A 410 50.276 56.252 44.512 1.00 23.41 H new ATOM 2025 N ARG A 411 52.211 56.007 42.104 1.00 20.62 N ANISOU 2025 N ARG A 411 2719 2647 2470 1063 -1065 -1000 N ATOM 2026 CA ARG A 411 52.452 56.386 40.714 1.00 19.51 C ANISOU 2026 CA ARG A 411 2391 2456 2565 898 -1072 -894 C ATOM 2027 C ARG A 411 52.439 55.168 39.800 1.00 17.85 C ANISOU 2027 C ARG A 411 2119 2335 2327 867 -942 -725 C ATOM 2028 O ARG A 411 52.837 54.081 40.199 1.00 17.91 O ANISOU 2028 O ARG A 411 2194 2432 2179 970 -933 -707 O ATOM 2029 CB ARG A 411 53.797 57.097 40.563 1.00 20.68 C ANISOU 2029 CB ARG A 411 2414 2610 2833 780 -1278 -967 C ATOM 2030 CG ARG A 411 53.759 58.582 40.696 1.00 22.13 C ANISOU 2030 CG ARG A 411 2621 2621 3165 685 -1407 -1076 C ATOM 2031 CD ARG A 411 53.363 58.972 42.059 1.00 33.09 C ANISOU 2031 CD ARG A 411 4197 3956 4419 841 -1453 -1262 C ATOM 2032 NE ARG A 411 53.351 60.418 42.199 1.00 30.82 N ANISOU 2032 NE ARG A 411 3967 3460 4284 767 -1594 -1397 N ATOM 2033 CZ ARG A 411 53.106 61.039 43.338 1.00 38.48 C ANISOU 2033 CZ ARG A 411 5110 4348 5165 880 -1660 -1612 C ATOM 2034 NH1 ARG A 411 52.861 60.341 44.437 1.00 46.20 N ANISOU 2034 NH1 ARG A 411 6205 5471 5880 1046 -1577 -1680 N ATOM 2035 NH2 ARG A 411 53.097 62.358 43.368 1.00 29.42 N ANISOU 2035 NH2 ARG A 411 4023 2981 4176 808 -1766 -1694 N ATOM 0 H ARG A 411 52.921 55.805 42.545 1.00 20.62 H new ATOM 0 HA ARG A 411 51.736 56.988 40.458 1.00 19.51 H new ATOM 0 HB2 ARG A 411 54.408 56.744 41.229 1.00 20.68 H new ATOM 0 HB3 ARG A 411 54.166 56.875 39.694 1.00 20.68 H new ATOM 0 HG2 ARG A 411 54.631 58.952 40.489 1.00 22.13 H new ATOM 0 HG3 ARG A 411 53.134 58.953 40.054 1.00 22.13 H new ATOM 0 HD2 ARG A 411 52.483 58.616 42.259 1.00 33.09 H new ATOM 0 HD3 ARG A 411 53.978 58.586 42.702 1.00 33.09 H new ATOM 0 HE ARG A 411 53.512 60.895 41.502 1.00 30.82 H new ATOM 0 HH11 ARG A 411 52.861 59.481 44.409 1.00 46.20 H new ATOM 0 HH12 ARG A 411 52.702 60.747 45.178 1.00 46.20 H new ATOM 0 HH21 ARG A 411 53.250 62.805 42.650 1.00 29.42 H new ATOM 0 HH22 ARG A 411 52.938 62.770 44.106 1.00 29.42 H new ATOM 2049 N ILE A 412 51.974 55.355 38.568 1.00 16.70 N ANISOU 2049 N ILE A 412 1871 2147 2326 728 -860 -604 N ATOM 2050 CA ILE A 412 51.996 54.289 37.570 1.00 15.40 C ANISOU 2050 CA ILE A 412 1656 2058 2137 669 -742 -467 C ATOM 2051 C ILE A 412 53.349 54.240 36.867 1.00 16.76 C ANISOU 2051 C ILE A 412 1663 2322 2383 575 -817 -474 C ATOM 2052 O ILE A 412 53.796 55.228 36.286 1.00 21.51 O ANISOU 2052 O ILE A 412 2141 2901 3129 404 -894 -475 O ATOM 2053 CB ILE A 412 50.867 54.494 36.563 1.00 14.38 C ANISOU 2053 CB ILE A 412 1496 1870 2097 549 -632 -338 C ATOM 2054 CG1 ILE A 412 49.519 54.425 37.280 1.00 14.45 C ANISOU 2054 CG1 ILE A 412 1609 1851 2033 653 -533 -352 C ATOM 2055 CG2 ILE A 412 50.921 53.461 35.431 1.00 13.42 C ANISOU 2055 CG2 ILE A 412 1338 1822 1938 451 -520 -214 C ATOM 2056 CD1 ILE A 412 48.438 55.197 36.588 1.00 14.41 C ANISOU 2056 CD1 ILE A 412 1527 1769 2178 584 -513 -286 C ATOM 0 H ILE A 412 51.640 56.096 38.288 1.00 16.70 H new ATOM 0 HA ILE A 412 51.861 53.439 38.017 1.00 15.40 H new ATOM 0 HB ILE A 412 50.977 55.370 36.162 1.00 14.38 H new ATOM 0 HG12 ILE A 412 49.247 53.497 37.355 1.00 14.45 H new ATOM 0 HG13 ILE A 412 49.622 54.764 38.183 1.00 14.45 H new ATOM 0 HG21 ILE A 412 50.192 53.621 34.812 1.00 13.42 H new ATOM 0 HG22 ILE A 412 51.766 53.539 34.961 1.00 13.42 H new ATOM 0 HG23 ILE A 412 50.839 52.569 35.803 1.00 13.42 H new ATOM 0 HD11 ILE A 412 47.611 55.115 37.088 1.00 14.41 H new ATOM 0 HD12 ILE A 412 48.692 56.132 36.534 1.00 14.41 H new ATOM 0 HD13 ILE A 412 48.310 54.845 35.693 1.00 14.41 H new ATOM 2068 N AVAL A 413 53.998 53.087 36.908 0.53 15.88 N ANISOU 2068 N AVAL A 413 1547 2314 2172 682 -793 -482 N ATOM 2069 N BVAL A 413 53.981 53.070 36.935 0.47 15.87 N ANISOU 2069 N BVAL A 413 1552 2312 2167 687 -793 -483 N ATOM 2070 CA AVAL A 413 55.284 52.950 36.251 0.53 22.53 C ANISOU 2070 CA AVAL A 413 2184 3293 3085 627 -837 -523 C ATOM 2071 CA BVAL A 413 55.300 52.821 36.356 0.47 16.75 C ANISOU 2071 CA BVAL A 413 1465 2563 2335 656 -840 -528 C ATOM 2072 C AVAL A 413 55.242 51.728 35.345 0.53 16.05 C ANISOU 2072 C AVAL A 413 1366 2525 2209 650 -687 -457 C ATOM 2073 C BVAL A 413 55.140 51.759 35.281 0.47 15.92 C ANISOU 2073 C BVAL A 413 1356 2500 2194 635 -676 -446 C ATOM 2074 O AVAL A 413 54.601 50.720 35.648 0.53 15.49 O ANISOU 2074 O AVAL A 413 1487 2385 2012 779 -614 -411 O ATOM 2075 O BVAL A 413 54.292 50.885 35.404 0.47 15.07 O ANISOU 2075 O BVAL A 413 1437 2314 1976 717 -580 -379 O ATOM 2076 CB AVAL A 413 56.435 52.887 37.274 0.53 23.98 C ANISOU 2076 CB AVAL A 413 2351 3537 3222 742 -960 -636 C ATOM 2077 CB BVAL A 413 56.310 52.388 37.442 0.47 24.74 C ANISOU 2077 CB BVAL A 413 2511 3626 3261 822 -941 -628 C ATOM 2078 CG1AVAL A 413 56.460 54.153 38.097 0.53 25.80 C ANISOU 2078 CG1AVAL A 413 2607 3700 3497 682 -1096 -714 C ATOM 2079 CG1BVAL A 413 57.558 51.723 36.827 0.47 19.61 C ANISOU 2079 CG1BVAL A 413 1686 3118 2646 839 -915 -662 C ATOM 2080 CG2AVAL A 413 56.303 51.682 38.174 0.53 18.80 C ANISOU 2080 CG2AVAL A 413 1896 2854 2392 979 -962 -641 C ATOM 2081 CG2BVAL A 413 56.692 53.582 38.278 0.47 28.95 C ANISOU 2081 CG2BVAL A 413 3026 4134 3839 765 -1086 -718 C ATOM 0 H AVAL A 413 53.715 52.380 37.306 0.53 15.87 H new ATOM 0 H BVAL A 413 53.647 52.382 37.329 0.47 15.87 H new ATOM 0 HA AVAL A 413 55.459 53.733 35.706 0.53 16.75 H new ATOM 0 HA BVAL A 413 55.655 53.633 35.963 0.47 16.75 H new ATOM 0 HB AVAL A 413 57.270 52.804 36.787 0.53 24.74 H new ATOM 0 HB BVAL A 413 55.886 51.724 38.008 0.47 24.74 H new ATOM 0 HG11AVAL A 413 57.186 54.108 38.739 0.53 19.61 H new ATOM 0 HG11BVAL A 413 58.169 51.464 37.535 0.47 19.61 H new ATOM 0 HG12AVAL A 413 56.592 54.916 37.513 0.53 19.61 H new ATOM 0 HG12BVAL A 413 57.292 50.936 36.326 0.47 19.61 H new ATOM 0 HG13AVAL A 413 55.618 54.249 38.569 0.53 19.61 H new ATOM 0 HG13BVAL A 413 57.999 52.350 36.233 0.47 19.61 H new ATOM 0 HG21AVAL A 413 57.039 51.668 38.806 0.53 28.95 H new ATOM 0 HG21BVAL A 413 57.326 53.310 38.960 0.47 28.95 H new ATOM 0 HG22AVAL A 413 55.463 51.729 38.657 0.53 28.95 H new ATOM 0 HG22BVAL A 413 57.097 54.258 37.712 0.47 28.95 H new ATOM 0 HG23AVAL A 413 56.322 50.874 37.638 0.53 28.95 H new ATOM 0 HG23BVAL A 413 55.900 53.948 38.701 0.47 28.95 H new ATOM 2100 N THR A 414 55.937 51.833 34.224 1.00 21.67 N ANISOU 2100 N THR A 414 1877 3357 2999 501 -635 -461 N ATOM 2101 CA THR A 414 55.891 50.801 33.208 1.00 27.22 C ANISOU 2101 CA THR A 414 2584 4111 3648 493 -477 -426 C ATOM 2102 C THR A 414 57.304 50.339 33.010 1.00 26.40 C ANISOU 2102 C THR A 414 2261 4199 3572 595 -497 -566 C ATOM 2103 O THR A 414 58.245 51.137 33.008 1.00 33.71 O ANISOU 2103 O THR A 414 3004 5227 4578 475 -553 -615 O ATOM 2104 CB THR A 414 55.270 51.295 31.894 1.00 41.96 C ANISOU 2104 CB THR A 414 4424 5973 5547 206 -361 -306 C ATOM 2105 OG1 THR A 414 53.940 51.771 32.145 1.00 32.27 O ANISOU 2105 OG1 THR A 414 3358 4581 4323 154 -372 -191 O ATOM 2106 CG2 THR A 414 55.186 50.171 30.905 1.00 38.07 C ANISOU 2106 CG2 THR A 414 3973 5530 4964 197 -200 -296 C ATOM 0 H ATHR A 414 56.445 52.500 34.033 0.53 21.67 H new ATOM 0 H BTHR A 414 56.503 52.464 34.079 0.47 21.67 H new ATOM 0 HA THR A 414 55.319 50.072 33.496 1.00 27.22 H new ATOM 0 HB THR A 414 55.826 52.006 31.537 1.00 41.96 H new ATOM 0 HG1 THR A 414 53.741 51.635 32.950 1.00 32.27 H new ATOM 0 HG21 THR A 414 54.792 50.495 30.080 1.00 38.07 H new ATOM 0 HG22 THR A 414 56.076 49.830 30.726 1.00 38.07 H new ATOM 0 HG23 THR A 414 54.635 49.460 31.269 1.00 38.07 H new ATOM 2114 N ASP A 415 57.468 49.031 32.931 1.00 27.32 N ANISOU 2114 N ASP A 415 2459 4309 3611 808 -438 -613 N ATOM 2115 CA ASP A 415 58.790 48.466 32.802 1.00 34.08 C ANISOU 2115 CA ASP A 415 3152 5306 4491 943 -445 -749 C ATOM 2116 C ASP A 415 59.043 48.156 31.331 1.00 35.59 C ANISOU 2116 C ASP A 415 3175 5657 4690 824 -253 -802 C ATOM 2117 O ASP A 415 58.104 48.070 30.536 1.00 26.56 O ANISOU 2117 O ASP A 415 2163 4442 3486 656 -120 -703 O ATOM 2118 CB ASP A 415 58.929 47.217 33.671 1.00 28.34 C ANISOU 2118 CB ASP A 415 2654 4440 3675 1251 -524 -775 C ATOM 2119 CG ASP A 415 58.785 47.514 35.168 1.00 23.14 C ANISOU 2119 CG ASP A 415 2166 3665 2961 1325 -692 -733 C ATOM 2120 OD1 ASP A 415 59.643 48.212 35.740 1.00 27.48 O ANISOU 2120 OD1 ASP A 415 2571 4304 3565 1296 -802 -794 O ATOM 2121 OD2 ASP A 415 57.810 47.024 35.772 1.00 24.58 O ANISOU 2121 OD2 ASP A 415 2634 3676 3027 1399 -701 -644 O ATOM 2122 OXT ASP A 415 60.187 48.012 30.901 1.00 44.71 O ANISOU 2122 OXT ASP A 415 4139 6972 5876 828 -210 -912 O ATOM 0 H ASP A 415 56.828 48.457 32.950 1.00 27.32 H new ATOM 0 HA ASP A 415 59.455 49.101 33.112 1.00 34.08 H new ATOM 0 HB2 ASP A 415 58.257 46.569 33.408 1.00 28.34 H new ATOM 0 HB3 ASP A 415 59.794 46.810 33.508 1.00 28.34 H new TER 2127 ASP A 415 HETATM 2128 O HOH A 501 60.567 65.145 49.471 1.00 34.60 O HETATM 2129 O HOH A 502 41.441 73.719 35.439 1.00 43.16 O HETATM 2130 O HOH A 503 44.911 62.273 22.385 1.00 30.33 O HETATM 2131 O HOH A 504 28.712 61.862 17.932 1.00 47.72 O HETATM 2132 O HOH A 505 56.652 42.041 31.679 1.00 43.65 O HETATM 2133 O BHOH A 506 42.917 51.999 41.850 0.57 17.16 O HETATM 2134 O HOH A 507 49.868 58.518 45.607 1.00 30.58 O HETATM 2135 O HOH A 508 43.382 60.829 48.956 1.00 20.36 O HETATM 2136 O HOH A 509 58.384 64.906 42.427 1.00 24.20 O HETATM 2137 O HOH A 510 39.815 69.637 39.568 1.00 19.78 O HETATM 2138 O HOH A 511 32.087 49.754 36.169 1.00 35.71 O HETATM 2139 O HOH A 512 32.640 51.767 32.199 1.00 28.74 O HETATM 2140 O HOH A 513 45.938 75.184 33.936 1.00 25.69 O HETATM 2141 O HOH A 514 40.979 74.544 24.401 1.00 28.52 O HETATM 2142 O HOH A 515 51.016 52.265 46.304 1.00 34.75 O HETATM 2143 O HOH A 516 45.730 67.371 26.372 1.00 8.60 O HETATM 2144 O HOH A 517 48.819 68.007 32.570 1.00 16.10 O HETATM 2145 O HOH A 518 34.061 55.058 34.071 1.00 9.81 O HETATM 2146 O HOH A 519 40.524 56.572 44.046 1.00 10.70 O HETATM 2147 O HOH A 520 30.076 68.285 20.862 1.00 17.21 O HETATM 2148 O HOH A 521 52.032 50.887 27.145 1.00 16.97 O HETATM 2149 O HOH A 522 29.900 61.470 38.453 1.00 30.14 O HETATM 2150 O HOH A 523 53.665 54.844 33.369 1.00 41.28 O HETATM 2151 O HOH A 524 49.089 54.958 46.940 1.00 33.00 O HETATM 2152 O HOH A 525 29.097 47.254 33.954 1.00 24.15 O HETATM 2153 O HOH A 526 56.934 54.327 33.959 1.00 36.04 O HETATM 2154 O HOH A 527 29.016 72.009 26.696 1.00 31.83 O HETATM 2155 O HOH A 528 38.785 72.640 36.120 1.00 20.67 O HETATM 2156 O HOH A 529 49.611 59.138 36.179 1.00 25.61 O HETATM 2157 O HOH A 530 26.218 53.393 35.367 1.00 27.57 O HETATM 2158 O HOH A 531 40.723 47.189 36.271 1.00 23.84 O HETATM 2159 O HOH A 532 35.466 61.270 21.768 1.00 21.12 O HETATM 2160 O HOH A 533 52.793 69.268 28.534 1.00 28.87 O HETATM 2161 O HOH A 534 49.969 45.395 33.719 1.00 20.29 O HETATM 2162 O HOH A 535 27.409 57.769 24.400 1.00 28.49 O HETATM 2163 O HOH A 536 41.263 61.322 42.520 1.00 9.41 O HETATM 2164 O HOH A 537 27.736 64.156 26.040 1.00 24.67 O HETATM 2165 O HOH A 538 55.093 48.226 42.023 1.00 20.01 O HETATM 2166 O HOH A 539 60.585 51.333 39.057 1.00 47.16 O HETATM 2167 O HOH A 540 49.039 50.349 45.154 1.00 34.45 O HETATM 2168 O HOH A 541 55.518 46.786 26.650 1.00 22.49 O HETATM 2169 O HOH A 542 29.835 71.528 30.967 1.00 20.65 O HETATM 2170 O HOH A 543 34.593 50.244 30.139 1.00 14.98 O HETATM 2171 O HOH A 544 23.821 59.134 33.470 1.00 21.07 O HETATM 2172 O HOH A 545 46.252 42.741 33.433 1.00 29.80 O HETATM 2173 O HOH A 546 40.230 46.949 26.675 1.00 29.11 O HETATM 2174 O HOH A 547 53.824 53.858 29.896 1.00 29.07 O HETATM 2175 O HOH A 548 35.129 49.225 25.389 1.00 25.30 O HETATM 2176 O HOH A 549 53.527 48.806 27.873 1.00 25.80 O HETATM 2177 O HOH A 550 48.989 74.350 23.666 1.00 25.70 O HETATM 2178 O HOH A 551 42.136 65.773 20.766 1.00 28.84 O HETATM 2179 O HOH A 552 35.775 54.283 44.915 1.00 25.62 O HETATM 2180 O HOH A 553 43.844 64.383 49.267 1.00 49.95 O HETATM 2181 O HOH A 554 30.054 65.218 34.828 1.00 14.63 O HETATM 2182 O HOH A 555 39.742 52.759 23.745 1.00 28.01 O HETATM 2183 O HOH A 556 46.114 67.633 32.997 1.00 10.54 O HETATM 2184 O HOH A 557 58.699 50.400 42.456 1.00 36.10 O HETATM 2185 O HOH A 558 30.451 73.199 34.704 1.00 35.25 O HETATM 2186 O HOH A 559 27.474 54.070 32.959 1.00 16.88 O HETATM 2187 O HOH A 560 28.849 50.703 39.088 1.00 30.15 O HETATM 2188 O HOH A 561 41.565 67.530 39.478 1.00 16.78 O HETATM 2189 O HOH A 562 44.064 63.426 41.955 1.00 14.07 O HETATM 2190 O HOH A 563 50.898 58.052 37.990 1.00 18.90 O HETATM 2191 O HOH A 564 40.669 73.771 31.423 1.00 46.78 O HETATM 2192 O HOH A 565 39.379 50.371 25.220 1.00 18.87 O HETATM 2193 O HOH A 566 29.251 68.480 38.430 1.00 40.42 O HETATM 2194 O HOH A 567 44.820 72.910 23.098 1.00 34.30 O HETATM 2195 O HOH A 568 44.754 62.591 39.329 1.00 14.21 O HETATM 2196 O HOH A 569 33.146 67.320 18.793 1.00 19.11 O HETATM 2197 O HOH A 570 35.935 64.509 21.849 1.00 21.34 O HETATM 2198 O HOH A 571 38.422 76.576 33.110 1.00 45.07 O HETATM 2199 O HOH A 572 36.204 44.571 26.252 1.00 25.96 O HETATM 2200 O HOH A 573 48.805 69.988 21.236 1.00 31.25 O HETATM 2201 O HOH A 574 49.528 61.682 33.121 1.00 18.21 O HETATM 2202 O HOH A 575 40.930 72.989 28.898 1.00 17.05 O HETATM 2203 O HOH A 576 45.926 69.374 39.761 1.00 45.52 O HETATM 2204 O HOH A 577 40.619 57.276 23.041 1.00 13.95 O HETATM 2205 O HOH A 578 28.858 73.687 22.768 1.00 24.69 O HETATM 2206 O HOH A 579 33.757 49.756 22.861 1.00 23.66 O HETATM 2207 O HOH A 580 26.327 61.036 36.742 1.00 33.68 O HETATM 2208 O HOH A 581 41.823 54.746 45.426 1.00 22.28 O HETATM 2209 O HOH A 582 29.217 58.985 38.110 1.00 24.70 O HETATM 2210 O HOH A 583 26.151 67.041 27.006 1.00 40.19 O HETATM 2211 O HOH A 584 50.439 64.832 44.768 1.00 44.47 O HETATM 2212 O HOH A 585 36.251 74.415 19.849 1.00 30.82 O HETATM 2213 O HOH A 586 50.720 47.127 41.117 1.00 25.53 O HETATM 2214 O HOH A 587 42.364 75.087 19.994 1.00 38.09 O HETATM 2215 O HOH A 588 40.553 51.981 45.024 1.00 39.15 O HETATM 2216 O HOH A 589 38.664 48.007 36.497 1.00 38.77 O HETATM 2217 O HOH A 590 29.247 74.006 26.030 1.00 42.21 O HETATM 2218 O HOH A 591 32.762 55.796 19.397 1.00 39.75 O HETATM 2219 O AHOH A 592 46.772 55.799 24.453 0.20 33.28 O HETATM 2220 O BHOH A 592 46.703 57.352 22.802 0.59 33.28 O HETATM 2221 O HOH A 593 43.856 68.511 21.155 1.00 35.59 O HETATM 2222 O HOH A 594 37.515 48.672 24.202 1.00 27.33 O HETATM 2223 O HOH A 595 42.136 63.238 21.599 1.00 28.44 O HETATM 2224 O HOH A 596 48.811 65.430 42.810 1.00 40.11 O HETATM 2225 O HOH A 597 26.349 52.596 31.094 1.00 42.77 O HETATM 2226 O HOH A 598 45.379 65.082 38.629 1.00 21.21 O HETATM 2227 O HOH A 599 43.995 67.314 39.894 1.00 24.47 O HETATM 2228 O HOH A 600 37.443 54.546 22.554 1.00 31.01 O HETATM 2229 O HOH A 601 69.880 73.919 50.843 1.00 42.20 O HETATM 2230 O HOH A 602 46.214 76.963 30.312 1.00 33.66 O HETATM 2231 O HOH A 603 27.700 70.197 32.101 1.00 34.35 O HETATM 2232 O HOH A 604 41.851 74.636 26.833 1.00 30.92 O HETATM 2233 O HOH A 605 31.205 50.786 38.339 1.00 31.58 O HETATM 2234 O HOH A 606 27.488 57.251 42.209 1.00 24.76 O HETATM 2235 O HOH A 607 26.982 58.389 39.197 1.00 28.96 O HETATM 2236 O HOH A 608 28.735 67.090 36.315 1.00 29.64 O HETATM 2237 O HOH A 609 32.890 58.143 18.602 1.00 36.89 O HETATM 2238 O HOH A 610 29.884 58.014 41.109 1.00 42.66 O HETATM 2239 O HOH A 611 28.886 76.600 22.705 1.00 47.61 O HETATM 2240 O HOH A 612 27.545 68.856 34.736 1.00 31.86 O HETATM 2241 O HOH A 613 44.246 66.087 42.380 1.00 20.65 O HETATM 2242 O HOH A 614 45.999 70.166 20.688 1.00 40.04 O HETATM 2243 O HOH A 615 60.602 52.490 37.016 1.00 53.08 O HETATM 2244 O HOH A 616 54.493 74.418 51.428 1.00 35.69 O HETATM 2245 O HOH A 617 28.953 73.892 31.051 1.00 45.15 O HETATM 2246 O HOH A 618 36.496 50.386 21.449 1.00 41.76 O HETATM 2247 O HOH A 619 27.027 71.335 21.380 1.00 28.50 O HETATM 2248 O HOH A 620 37.328 59.646 23.378 1.00 23.24 O HETATM 2249 O HOH A 621 38.248 57.459 22.269 1.00 35.04 O HETATM 2250 O HOH A 622 43.348 74.511 22.850 1.00 26.40 O HETATM 2251 O HOH A 623 25.970 61.101 26.611 1.00 29.76 O HETATM 2252 O HOH A 624 46.543 67.275 43.273 1.00 29.84 O HETATM 2253 O HOH A 625 29.778 62.410 41.249 1.00 35.89 O HETATM 2254 O HOH A 626 28.242 64.498 42.114 1.00 35.78 O HETATM 2255 O HOH A 627 44.452 76.938 23.784 1.00 32.40 O END