USER MOD reduce.3.24.130724 H: found=0, std=0, add=1522, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER ONCOPROTEIN 21-AUG-18 6HFA TITLE CRYSTAL STRUCTURE OF HDM2 IN COMPLEX WITH A C-TERMINAL TRIUREA CAPPED TITLE 2 PEPTIDE CHIMERA FOLDAMER. COMPND MOL_ID: 1; COMPND 2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE MDM2; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: RESIDUES 17-111; COMPND 5 SYNONYM: DOUBLE MINUTE 2 PROTEIN,HDM2,ONCOPROTEIN MDM2,RING-TYPE E3 COMPND 6 UBIQUITIN TRANSFERASE MDM2,P53-BINDING PROTEIN MDM2; COMPND 7 EC: 2.3.2.27; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 2; COMPND 0 MOLECULE: LM266; COMPND 1 CHAIN: C, D; COMPND 2 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: MDM2; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 MOL_ID: 2; SOURCE 0 SYNTHETIC: YES; SOURCE 1 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 2 ORGANISM_TAXID: 32630 KEYWDS PROTEIN FOLDAMER COMPLEX, PROTEIN PROTEIN INTERACTION INHIBITOR, UREA KEYWDS 2 BASED CHIMERA FOLDAMER, ONCOPROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR J.BURATTO,L.MAURAN,S.GOUDREAU,S.FRIBOURG,G.GUICHARD REVDAT 1 08-JUL-20 6HFA 0 JRNL AUTH J.BURATTO,L.MAURAN,S.GOUDREAU,S.FRIBOURG,G.GUICHARD JRNL TITL CRYSTAL STRUCTURE OF HDM2 IN COMPLEX WITH A C-TERMINAL JRNL TITL 2 TRIUREA CAPPED PEPTIDE CHIMERA FOLDAMER. JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.79 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 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 : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.79 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 42.34 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.330 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.0 REMARK 3 NUMBER OF REFLECTIONS : 17262 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.193 REMARK 3 R VALUE (WORKING SET) : 0.191 REMARK 3 FREE R VALUE : 0.238 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 863 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 42.3505 - 3.2524 1.00 2937 155 0.1629 0.2030 REMARK 3 2 3.2524 - 2.5816 0.99 2778 146 0.1915 0.2469 REMARK 3 3 2.5816 - 2.2553 0.99 2761 146 0.2159 0.2520 REMARK 3 4 2.2553 - 2.0491 0.99 2715 142 0.2079 0.2772 REMARK 3 5 2.0491 - 1.9022 0.98 2698 142 0.2426 0.2905 REMARK 3 6 1.9022 - 1.7901 0.92 2510 132 0.3109 0.3697 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : NULL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.200 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 27.090 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 37.73 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.006 1616 REMARK 3 ANGLE : 1.014 2181 REMARK 3 CHIRALITY : 0.056 250 REMARK 3 PLANARITY : 0.008 271 REMARK 3 DIHEDRAL : 14.516 965 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 13 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 25 THROUGH 63 ) REMARK 3 ORIGIN FOR THE GROUP (A): -3.6370 1.8563 -9.8267 REMARK 3 T TENSOR REMARK 3 T11: 0.2367 T22: 0.2675 REMARK 3 T33: 0.2580 T12: 0.0088 REMARK 3 T13: -0.0026 T23: -0.0121 REMARK 3 L TENSOR REMARK 3 L11: 0.0528 L22: 0.4390 REMARK 3 L33: 0.7705 L12: -0.1017 REMARK 3 L13: 0.1537 L23: -0.6961 REMARK 3 S TENSOR REMARK 3 S11: 0.0238 S12: 0.1457 S13: 0.0253 REMARK 3 S21: -0.0478 S22: -0.0986 S23: -0.0703 REMARK 3 S31: -0.0320 S32: 0.0734 S33: -0.0001 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 64 THROUGH 80 ) REMARK 3 ORIGIN FOR THE GROUP (A): -20.5489 10.2043 -7.6640 REMARK 3 T TENSOR REMARK 3 T11: 0.2452 T22: 0.2888 REMARK 3 T33: 0.2850 T12: 0.0174 REMARK 3 T13: 0.0113 T23: 0.0264 REMARK 3 L TENSOR REMARK 3 L11: 0.0106 L22: 0.0730 REMARK 3 L33: 0.1919 L12: -0.0237 REMARK 3 L13: 0.0287 L23: -0.1185 REMARK 3 S TENSOR REMARK 3 S11: -0.1520 S12: -0.0810 S13: -0.1524 REMARK 3 S21: -0.0361 S22: 0.3877 S23: 0.2582 REMARK 3 S31: -0.1819 S32: -0.2386 S33: 0.0001 REMARK 3 TLS GROUP : 3 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 81 THROUGH 86 ) REMARK 3 ORIGIN FOR THE GROUP (A): -12.7744 2.6300 -0.5280 REMARK 3 T TENSOR REMARK 3 T11: 0.3342 T22: 0.2793 REMARK 3 T33: 0.3586 T12: 0.0831 REMARK 3 T13: 0.0039 T23: -0.0056 REMARK 3 L TENSOR REMARK 3 L11: 0.0162 L22: 0.0483 REMARK 3 L33: 0.0158 L12: -0.0090 REMARK 3 L13: 0.0096 L23: 0.0352 REMARK 3 S TENSOR REMARK 3 S11: -0.0204 S12: -0.1634 S13: -0.4231 REMARK 3 S21: 0.2292 S22: 0.1869 S23: 0.0694 REMARK 3 S31: 0.4116 S32: 0.5347 S33: 0.0007 REMARK 3 TLS GROUP : 4 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 87 THROUGH 111 ) REMARK 3 ORIGIN FOR THE GROUP (A): -5.2047 9.6338 -0.2485 REMARK 3 T TENSOR REMARK 3 T11: 0.2821 T22: 0.3336 REMARK 3 T33: 0.2497 T12: 0.0181 REMARK 3 T13: -0.0180 T23: -0.0228 REMARK 3 L TENSOR REMARK 3 L11: 0.2168 L22: 0.2540 REMARK 3 L33: 0.5335 L12: 0.1481 REMARK 3 L13: 0.0802 L23: 0.3817 REMARK 3 S TENSOR REMARK 3 S11: -0.2276 S12: -0.1490 S13: 0.1748 REMARK 3 S21: 0.2794 S22: 0.1908 S23: -0.0942 REMARK 3 S31: -0.0597 S32: -0.0485 S33: 0.0003 REMARK 3 TLS GROUP : 5 REMARK 3 SELECTION: CHAIN 'B' AND (RESID 25 THROUGH 31 ) REMARK 3 ORIGIN FOR THE GROUP (A): -17.5172 25.7633 -28.9787 REMARK 3 T TENSOR REMARK 3 T11: 0.3409 T22: 0.2578 REMARK 3 T33: 0.3680 T12: -0.0352 REMARK 3 T13: 0.0410 T23: 0.0029 REMARK 3 L TENSOR REMARK 3 L11: 0.2480 L22: 0.8062 REMARK 3 L33: 0.4459 L12: -0.0413 REMARK 3 L13: 0.2057 L23: 0.4223 REMARK 3 S TENSOR REMARK 3 S11: 0.3467 S12: -0.3101 S13: -0.2178 REMARK 3 S21: -0.2479 S22: -0.2338 S23: -0.1193 REMARK 3 S31: -0.3194 S32: 0.0864 S33: 0.0000 REMARK 3 TLS GROUP : 6 REMARK 3 SELECTION: CHAIN 'B' AND (RESID 32 THROUGH 49 ) REMARK 3 ORIGIN FOR THE GROUP (A): -22.8203 18.1261 -24.3653 REMARK 3 T TENSOR REMARK 3 T11: 0.2901 T22: 0.2786 REMARK 3 T33: 0.3369 T12: 0.0338 REMARK 3 T13: -0.0168 T23: -0.0023 REMARK 3 L TENSOR REMARK 3 L11: 0.0808 L22: 0.1349 REMARK 3 L33: 0.2169 L12: -0.0492 REMARK 3 L13: 0.0644 L23: -0.1920 REMARK 3 S TENSOR REMARK 3 S11: -0.1454 S12: 0.0253 S13: -0.0028 REMARK 3 S21: -0.0536 S22: 0.0132 S23: 0.0359 REMARK 3 S31: -0.0737 S32: -0.2551 S33: 0.0003 REMARK 3 TLS GROUP : 7 REMARK 3 SELECTION: CHAIN 'B' AND (RESID 50 THROUGH 73 ) REMARK 3 ORIGIN FOR THE GROUP (A): -12.6982 8.1834 -22.4658 REMARK 3 T TENSOR REMARK 3 T11: 0.2890 T22: 0.3112 REMARK 3 T33: 0.2203 T12: 0.0016 REMARK 3 T13: -0.0123 T23: -0.0056 REMARK 3 L TENSOR REMARK 3 L11: 0.4014 L22: 0.3475 REMARK 3 L33: 0.2127 L12: 0.2112 REMARK 3 L13: 0.3710 L23: 0.0147 REMARK 3 S TENSOR REMARK 3 S11: -0.0429 S12: -0.0016 S13: -0.0024 REMARK 3 S21: -0.1612 S22: 0.1287 S23: 0.1213 REMARK 3 S31: 0.1615 S32: -0.1260 S33: -0.0000 REMARK 3 TLS GROUP : 8 REMARK 3 SELECTION: CHAIN 'B' AND (RESID 74 THROUGH 80 ) REMARK 3 ORIGIN FOR THE GROUP (A): -14.7005 0.8346 -29.9967 REMARK 3 T TENSOR REMARK 3 T11: 0.4300 T22: 0.4038 REMARK 3 T33: 0.4219 T12: -0.0372 REMARK 3 T13: -0.0739 T23: -0.0116 REMARK 3 L TENSOR REMARK 3 L11: 0.0423 L22: 0.0412 REMARK 3 L33: 0.0437 L12: 0.0495 REMARK 3 L13: 0.0391 L23: 0.0249 REMARK 3 S TENSOR REMARK 3 S11: 0.3793 S12: -0.2901 S13: -0.3077 REMARK 3 S21: -0.2198 S22: 0.2149 S23: 0.2180 REMARK 3 S31: 0.0719 S32: -0.1491 S33: -0.0002 REMARK 3 TLS GROUP : 9 REMARK 3 SELECTION: CHAIN 'B' AND (RESID 81 THROUGH 86 ) REMARK 3 ORIGIN FOR THE GROUP (A): -18.9650 8.1091 -33.4223 REMARK 3 T TENSOR REMARK 3 T11: 0.4377 T22: 0.3810 REMARK 3 T33: 0.3750 T12: -0.0371 REMARK 3 T13: -0.0768 T23: -0.0648 REMARK 3 L TENSOR REMARK 3 L11: 0.0246 L22: 0.0340 REMARK 3 L33: 0.0095 L12: -0.0246 REMARK 3 L13: -0.0143 L23: 0.0154 REMARK 3 S TENSOR REMARK 3 S11: 0.4566 S12: -0.3187 S13: 0.2801 REMARK 3 S21: -0.6031 S22: -0.1318 S23: 0.3299 REMARK 3 S31: -0.1088 S32: -0.3505 S33: 0.0012 REMARK 3 TLS GROUP : 10 REMARK 3 SELECTION: CHAIN 'B' AND (RESID 87 THROUGH 95 ) REMARK 3 ORIGIN FOR THE GROUP (A): -7.9206 5.4001 -32.7320 REMARK 3 T TENSOR REMARK 3 T11: 0.4914 T22: 0.3773 REMARK 3 T33: 0.3115 T12: 0.1008 REMARK 3 T13: -0.0031 T23: 0.0000 REMARK 3 L TENSOR REMARK 3 L11: 0.0499 L22: 0.0033 REMARK 3 L33: 0.0108 L12: -0.0172 REMARK 3 L13: 0.0329 L23: -0.0093 REMARK 3 S TENSOR REMARK 3 S11: 0.3207 S12: 0.3905 S13: -0.0849 REMARK 3 S21: -0.6529 S22: -0.2316 S23: -0.2663 REMARK 3 S31: -0.1796 S32: 0.0070 S33: -0.0001 REMARK 3 TLS GROUP : 11 REMARK 3 SELECTION: CHAIN 'B' AND (RESID 96 THROUGH 111 ) REMARK 3 ORIGIN FOR THE GROUP (A): -12.0720 18.8047 -33.8409 REMARK 3 T TENSOR REMARK 3 T11: 0.3395 T22: 0.3488 REMARK 3 T33: 0.3445 T12: -0.0452 REMARK 3 T13: 0.0251 T23: -0.0029 REMARK 3 L TENSOR REMARK 3 L11: 0.1647 L22: 0.1850 REMARK 3 L33: 0.3548 L12: -0.0009 REMARK 3 L13: -0.2629 L23: 0.1060 REMARK 3 S TENSOR REMARK 3 S11: 0.1211 S12: 0.2512 S13: 0.0579 REMARK 3 S21: -0.0625 S22: -0.2410 S23: -0.1724 REMARK 3 S31: -0.0614 S32: -0.0228 S33: -0.0000 REMARK 3 TLS GROUP : 12 REMARK 3 SELECTION: CHAIN 'C' AND (RESID 17 THROUGH 23 ) REMARK 3 ORIGIN FOR THE GROUP (A): -4.8651 7.4937 -20.9232 REMARK 3 T TENSOR REMARK 3 T11: 0.2533 T22: 0.3247 REMARK 3 T33: 0.2911 T12: 0.0456 REMARK 3 T13: 0.0110 T23: 0.0445 REMARK 3 L TENSOR REMARK 3 L11: 0.0288 L22: 0.0697 REMARK 3 L33: 0.0042 L12: 0.0369 REMARK 3 L13: -0.0217 L23: -0.0281 REMARK 3 S TENSOR REMARK 3 S11: 0.2272 S12: -0.2728 S13: -0.0022 REMARK 3 S21: 0.1925 S22: -0.1888 S23: -0.4056 REMARK 3 S31: 0.1891 S32: 0.3228 S33: -0.0005 REMARK 3 TLS GROUP : 13 REMARK 3 SELECTION: CHAIN 'D' AND (RESID 17 THROUGH 23 ) REMARK 3 ORIGIN FOR THE GROUP (A): -12.9453 16.7503 -12.9480 REMARK 3 T TENSOR REMARK 3 T11: 0.2098 T22: 0.2123 REMARK 3 T33: 0.2334 T12: 0.0198 REMARK 3 T13: -0.0090 T23: 0.0010 REMARK 3 L TENSOR REMARK 3 L11: 0.0212 L22: 0.0864 REMARK 3 L33: -0.0022 L12: 0.0516 REMARK 3 L13: 0.0073 L23: 0.0104 REMARK 3 S TENSOR REMARK 3 S11: 0.3402 S12: 0.0596 S13: 0.3403 REMARK 3 S21: -0.2600 S22: -0.0336 S23: 0.0979 REMARK 3 S31: 0.0717 S32: 0.1841 S33: -0.0002 REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : 2 REMARK 3 NCS GROUP : 1 REMARK 3 NCS OPERATOR : 1 REMARK 3 REFERENCE SELECTION: (CHAIN A AND (RESSEQ 26:35 OR (RESID 36 REMARK 3 AND (NAME N OR NAME CA OR NAME CB OR NAME REMARK 3 CG OR NAME C OR NAME O )) OR RESSEQ 37:43 REMARK 3 OR RESSEQ 45:50 OR (RESID 51 AND (NAME N REMARK 3 OR NAME CA OR NAME CB OR NAME CG OR NAME REMARK 3 C OR NAME O )) OR RESSEQ 52:68 OR (RESID REMARK 3 69 AND (NAME N OR NAME CA OR NAME CB OR REMARK 3 NAME CG OR NAME C OR NAME O )) OR RESSEQ REMARK 3 70 OR (RESID 71 AND (NAME N OR NAME CA OR REMARK 3 NAME CB OR NAME CG OR NAME CD OR NAME C REMARK 3 OR NAME O )) OR RESSEQ 72:75 OR RESSEQ 77: REMARK 3 78 OR RESSEQ 80:95 OR (RESID 97 AND (NAME REMARK 3 N OR NAME CA OR NAME CB OR NAME C OR NAME REMARK 3 O )) OR (RESID 98 AND (NAME N OR NAME CA REMARK 3 OR NAME CB OR NAME C OR NAME O )) OR REMARK 3 RESSEQ 99:110)) REMARK 3 SELECTION : (CHAIN B AND (RESSEQ 26:30 OR (RESID 31 REMARK 3 AND (NAME N OR NAME CA OR NAME CB OR NAME REMARK 3 CG OR NAME CD OR NAME CE OR NAME C OR REMARK 3 NAME O )) OR RESSEQ 32:43 OR RESSEQ 45:75 REMARK 3 OR RESSEQ 77:78 OR RESSEQ 80:95 OR RESSEQ REMARK 3 97:110)) REMARK 3 ATOM PAIRS NUMBER : 698 REMARK 3 RMSD : NULL REMARK 3 NCS GROUP : 2 REMARK 3 NCS OPERATOR : 1 REMARK 3 REFERENCE SELECTION: CHAIN C REMARK 3 SELECTION : CHAIN D REMARK 3 ATOM PAIRS NUMBER : 58 REMARK 3 RMSD : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 6HFA COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 22-AUG-18. REMARK 100 THE DEPOSITION ID IS D_1200011325. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 16-FEB-18 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SOLEIL REMARK 200 BEAMLINE : PROXIMA 2 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9811 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS EIGER X 9M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : AIMLESS 0.6.2 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 17433 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.790 REMARK 200 RESOLUTION RANGE LOW (A) : 44.350 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.6 REMARK 200 DATA REDUNDANCY : 12.60 REMARK 200 R MERGE (I) : 0.14800 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 11.6000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.79 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.83 REMARK 200 COMPLETENESS FOR SHELL (%) : 89.7 REMARK 200 DATA REDUNDANCY IN SHELL : 10.40 REMARK 200 R MERGE FOR SHELL (I) : 1.80000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 31.82 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.80 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 90 MM HEPES, 1.26 M NA CITRATE, 10% REMARK 280 GLYCEROL. CRYO: +30% GLYCEROL, PH 7.5, VAPOR DIFFUSION, SITTING REMARK 280 DROP, TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 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 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 22.17500 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 41.06500 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 24.70500 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 41.06500 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 22.17500 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 24.70500 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 1550 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 5660 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -11.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, D 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 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 1590 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 5320 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -9.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, C 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLY A 14 REMARK 465 HIS A 15 REMARK 465 MET A 16 REMARK 465 SER A 17 REMARK 465 GLN A 18 REMARK 465 ILE A 19 REMARK 465 PRO A 20 REMARK 465 ALA A 21 REMARK 465 SER A 22 REMARK 465 GLU A 23 REMARK 465 GLN A 24 REMARK 465 GLY B 14 REMARK 465 HIS B 15 REMARK 465 MET B 16 REMARK 465 SER B 17 REMARK 465 GLN B 18 REMARK 465 ILE B 19 REMARK 465 PRO B 20 REMARK 465 ALA B 21 REMARK 465 SER B 22 REMARK 465 GLU B 23 REMARK 465 GLN B 24 REMARK 465 UCV C 26 REMARK 465 UCV D 26 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 LYS A 31 NZ REMARK 470 LYS A 36 CE NZ REMARK 470 LYS A 51 CE NZ REMARK 470 LYS A 70 CE NZ REMARK 470 LYS A 98 CE NZ REMARK 470 LYS B 36 CD CE NZ REMARK 470 LYS B 51 CD CE NZ REMARK 470 GLU B 69 CD OE1 OE2 REMARK 470 LYS B 70 CE NZ REMARK 470 GLN B 71 OE1 NE2 REMARK 470 ARG B 97 CG CD NE CZ NH1 NH2 REMARK 470 LYS B 98 CG CD CE NZ REMARK 470 G2B C 24 CG OG1 REMARK 470 G2B C 25 CG OG1 REMARK 470 G2B D 24 CG OG1 REMARK 470 G2B D 25 CG OG1 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH C 201 O HOH C 204 2.01 REMARK 500 O HOH A 206 O HOH A 229 2.04 REMARK 500 OXT ASN A 111 O HOH A 201 2.08 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 ASN A 79 47.42 -106.80 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for Di-peptide TRP C 23 and G2B C REMARK 800 24 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residues G2B C 24 and G2B C 25 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residues UCV C 101 and G2B C 25 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for Di-peptide TRP D 23 and G2B D REMARK 800 24 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residues G2B D 24 and G2B D 25 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residues UCV D 101 and G2B D 25 DBREF 6HFA A 17 111 UNP Q00987 MDM2_HUMAN 23 117 DBREF 6HFA B 17 111 UNP Q00987 MDM2_HUMAN 23 117 DBREF 6HFA C 17 26 PDB 6HFA 6HFA 17 26 DBREF 6HFA D 17 26 PDB 6HFA 6HFA 17 26 SEQADV 6HFA GLY A 14 UNP Q00987 EXPRESSION TAG SEQADV 6HFA HIS A 15 UNP Q00987 EXPRESSION TAG SEQADV 6HFA MET A 16 UNP Q00987 EXPRESSION TAG SEQADV 6HFA ALA A 88 UNP Q00987 VAL 94 CONFLICT SEQADV 6HFA GLY B 14 UNP Q00987 EXPRESSION TAG SEQADV 6HFA HIS B 15 UNP Q00987 EXPRESSION TAG SEQADV 6HFA MET B 16 UNP Q00987 EXPRESSION TAG SEQADV 6HFA ALA B 88 UNP Q00987 VAL 94 CONFLICT SEQRES 1 A 98 GLY HIS MET SER GLN ILE PRO ALA SER GLU GLN GLU THR SEQRES 2 A 98 LEU VAL ARG PRO LYS PRO LEU LEU LEU LYS LEU LEU LYS SEQRES 3 A 98 SER VAL GLY ALA GLN LYS ASP THR TYR THR MET LYS GLU SEQRES 4 A 98 VAL LEU PHE TYR LEU GLY GLN TYR ILE MET THR LYS ARG SEQRES 5 A 98 LEU TYR ASP GLU LYS GLN GLN HIS ILE VAL TYR CYS SER SEQRES 6 A 98 ASN ASP LEU LEU GLY ASP LEU PHE GLY ALA PRO SER PHE SEQRES 7 A 98 SER VAL LYS GLU HIS ARG LYS ILE TYR THR MET ILE TYR SEQRES 8 A 98 ARG ASN LEU VAL VAL VAL ASN SEQRES 1 B 98 GLY HIS MET SER GLN ILE PRO ALA SER GLU GLN GLU THR SEQRES 2 B 98 LEU VAL ARG PRO LYS PRO LEU LEU LEU LYS LEU LEU LYS SEQRES 3 B 98 SER VAL GLY ALA GLN LYS ASP THR TYR THR MET LYS GLU SEQRES 4 B 98 VAL LEU PHE TYR LEU GLY GLN TYR ILE MET THR LYS ARG SEQRES 5 B 98 LEU TYR ASP GLU LYS GLN GLN HIS ILE VAL TYR CYS SER SEQRES 6 B 98 ASN ASP LEU LEU GLY ASP LEU PHE GLY ALA PRO SER PHE SEQRES 7 B 98 SER VAL LYS GLU HIS ARG LYS ILE TYR THR MET ILE TYR SEQRES 8 B 98 ARG ASN LEU VAL VAL VAL ASN SEQRES 1 C 10 THR SER PHE ALA GLU TYR TRP G2B G2B UCV SEQRES 1 D 10 THR SER PHE ALA GLU TYR TRP G2B G2B UCV HET G2B C 24 7 HET G2B C 25 7 HET G2B D 24 7 HET G2B D 25 7 HET UCV C 101 10 HET UCV D 101 10 HETNAM G2B 1-[(2~{R},3~{S})-2-AZANYL-3-OXIDANYL-BUTYL]UREA HETNAM UCV 1-[(2~{S})-2-AZANYL-3-METHYL-BUTYL]UREA FORMUL 3 G2B 4(C5 H13 N3 O2) FORMUL 5 UCV 2(C6 H15 N3 O) FORMUL 7 HOH *65(H2 O) HELIX 1 AA1 LYS A 31 VAL A 41 1 11 HELIX 2 AA2 MET A 50 LYS A 64 1 15 HELIX 3 AA3 ASP A 80 GLY A 87 1 8 HELIX 4 AA4 GLU A 95 ASN A 106 1 12 HELIX 5 AA5 LYS B 31 SER B 40 1 10 HELIX 6 AA6 MET B 50 LYS B 64 1 15 HELIX 7 AA7 ASP B 80 GLY B 87 1 8 HELIX 8 AA8 GLU B 95 ARG B 105 1 11 HELIX 9 AA9 SER C 18 TRP C 23 1 6 HELIX 10 AB1 SER D 18 TRP D 23 1 6 SHEET 1 AA1 3 TYR A 48 THR A 49 0 SHEET 2 AA1 3 LEU A 27 PRO A 30 -1 N VAL A 28 O TYR A 48 SHEET 3 AA1 3 LEU A 107 VAL A 110 -1 O VAL A 110 N LEU A 27 SHEET 1 AA2 2 ILE A 74 TYR A 76 0 SHEET 2 AA2 2 SER A 90 SER A 92 -1 O PHE A 91 N VAL A 75 SHEET 1 AA3 3 TYR B 48 THR B 49 0 SHEET 2 AA3 3 LEU B 27 PRO B 30 -1 N VAL B 28 O TYR B 48 SHEET 3 AA3 3 LEU B 107 VAL B 109 -1 O VAL B 108 N ARG B 29 SHEET 1 AA4 2 ILE B 74 TYR B 76 0 SHEET 2 AA4 2 SER B 90 SER B 92 -1 O PHE B 91 N VAL B 75 LINK C TRP C 23 N1 G2B C 24 1555 1555 1.35 LINK C G2B C 24 N1 G2B C 25 1555 1555 1.34 LINK C G2B C 25 N1 UCV C 101 1555 1555 1.34 LINK C TRP D 23 N1 G2B D 24 1555 1555 1.34 LINK C G2B D 24 N1 G2B D 25 1555 1555 1.34 LINK C G2B D 25 N1 UCV D 101 1555 1555 1.34 SITE *** AC1 8 LEU B 54 GLY B 58 PHE C 19 ALA C 20 SITE *** AC1 8 GLU C 21 TYR C 22 G2B C 25 UCV C 101 SITE *** AC2 7 HIS B 96 ALA C 20 GLU C 21 TYR C 22 SITE *** AC2 7 TRP C 23 UCV C 101 HOH C 204 SITE *** AC3 9 LEU B 54 HIS B 96 ILE B 99 TYR B 100 SITE *** AC3 9 TYR C 22 TRP C 23 G2B C 24 HOH C 201 SITE *** AC3 9 HOH C 204 SITE *** AC4 8 LEU A 54 GLY A 58 PHE D 19 ALA D 20 SITE *** AC4 8 GLU D 21 TYR D 22 G2B D 25 UCV D 101 SITE *** AC5 6 HIS A 96 ALA D 20 GLU D 21 TYR D 22 SITE *** AC5 6 TRP D 23 UCV D 101 SITE *** AC6 7 VAL A 93 HIS A 96 ILE A 99 TYR A 100 SITE *** AC6 7 TYR D 22 TRP D 23 G2B D 24 CRYST1 44.350 49.410 82.130 90.00 90.00 90.00 P 21 21 21 8 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 0.022548 0.000000 0.000000 0.00000 SCALE2 0.000000 0.020239 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012176 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: B 73 HIS : no HD1:sc= 0.81 K(o=2.2,f=-5.5!) USER MOD Set 1.2: B 92 SER OG : rot 88:sc= 1.43 USER MOD Set 2.1: B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: B 104 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 71 GLN : amide:sc= -0.0508 K(o=1.1,f=-0.23!) USER MOD Set 3.2: A 73 HIS : no HD1:sc= 0.507 K(o=1.1,f=-2.2) USER MOD Set 3.3: A 92 SER OG : rot 89:sc= 0.677 USER MOD Set 4.1: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 72 GLN : amide:sc= 1.27 K(o=1.6,f=-6.5!) USER MOD Set 4.3: B 59 GLN : amide:sc= 0.288 K(o=1.6,f=-1.3) USER MOD Set 5.1: A 63 THR OG1 : rot 83:sc= 0.451 USER MOD Set 5.2: B 67 TYR OH : rot -7:sc= 0.0967 USER MOD Set 6.1: A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.2: B 62 MET CE :methyl 176:sc= 0 (180deg=-0.0187) USER MOD Set 7.1: A 59 GLN : amide:sc= 0.627 K(o=1.9,f=-3.3!) USER MOD Set 7.2: B 72 GLN : amide:sc= 1.32 K(o=1.9,f=-9.4!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 60:sc= 0.75 USER MOD Single : A 44 GLN : amide:sc=-0.00103 K(o=-0.001,f=-1.1) USER MOD Single : A 45 LYS NZ :NH3+ 160:sc= 0.861 (180deg=0.288) USER MOD Single : A 47 THR OG1 : rot 18:sc= 0.842 USER MOD Single : A 48 TYR OH : rot -37:sc=-0.00617 USER MOD Single : A 49 THR OG1 : rot -111:sc= -0.515 USER MOD Single : A 50 MET CE :methyl -159:sc= -0.0438 (180deg=-0.91) USER MOD Single : A 56 TYR OH : rot 144:sc= 0.328 USER MOD Single : A 60 TYR OH : rot 165:sc= 1.34 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot -135:sc= 0.0113 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0283 USER MOD Single : A 79 ASN : amide:sc= -0.105 K(o=-0.1,f=-1.5!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.218 X(o=-0.22,f=-0.59) USER MOD Single : A 100 TYR OH : rot 19:sc= 0.00574 USER MOD Single : A 101 THR OG1 : rot 81:sc= 0.808 USER MOD Single : A 102 MET CE :methyl 154:sc= -0.171 (180deg=-0.888) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 1.8 K(o=1.8,f=1) USER MOD Single : A 111 ASN : amide:sc= 1.04 K(o=1,f=0.11) USER MOD Single : B 26 THR OG1 : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ -134:sc= -0.0471 (180deg=-0.219) USER MOD Single : B 39 LYS NZ :NH3+ -160:sc= 0.207 (180deg=0.0968) USER MOD Single : B 40 SER OG : rot -43:sc= 1.32 USER MOD Single : B 44 GLN : amide:sc=-0.00847 K(o=-0.0085,f=-1.4!) USER MOD Single : B 45 LYS NZ :NH3+ 155:sc= 0.0111 (180deg=0) USER MOD Single : B 47 THR OG1 : rot 180:sc= 0 USER MOD Single : B 48 TYR OH : rot -29:sc= 0.648 USER MOD Single : B 49 THR OG1 : rot 180:sc= 0.103 USER MOD Single : B 56 TYR OH : rot 180:sc= 0 USER MOD Single : B 60 TYR OH : rot -177:sc= 1.31 USER MOD Single : B 63 THR OG1 : rot -36:sc= 0.701 USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 76 TYR OH : rot 180:sc= 0 USER MOD Single : B 77 CYS SG : rot 62:sc= 0.0629 USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 79 ASN : amide:sc= 0.196 K(o=0.2,f=-3.1!) USER MOD Single : B 90 SER OG : rot 180:sc= 0 USER MOD Single : B 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 96 HIS : no HE2:sc= -0.404 K(o=-0.4,f=-1.3) USER MOD Single : B 100 TYR OH : rot -170:sc= 0.667 USER MOD Single : B 101 THR OG1 : rot 73:sc= 0.201 USER MOD Single : B 102 MET CE :methyl -179:sc= -1.66 (180deg=-1.73) USER MOD Single : B 106 ASN : amide:sc= 1.22 K(o=1.2,f=0.19) USER MOD Single : B 111 ASN : amide:sc= 0.717 K(o=0.72,f=-8.1!) USER MOD Single : C 17 THR OG1 : rot 39:sc= 0.0807 USER MOD Single : C 18 SER OG : rot -82:sc= 0.807 USER MOD Single : C 22 TYR OH : rot 180:sc= 0 USER MOD Single : D 17 THR OG1 : rot 34:sc= 0.115 USER MOD Single : D 18 SER OG : rot -100:sc= 0.18 USER MOD Single : D 22 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 25 6.926 10.183 -9.999 1.00 76.28 N ANISOU 1 N GLU A 25 9293 9891 9801 -277 -226 690 N ATOM 2 CA GLU A 25 8.312 10.153 -9.554 1.00 69.49 C ANISOU 2 CA GLU A 25 8382 9055 8966 -329 -251 798 C ATOM 3 C GLU A 25 8.437 9.430 -8.212 1.00 64.83 C ANISOU 3 C GLU A 25 7810 8422 8400 -360 -263 774 C ATOM 4 O GLU A 25 9.430 9.565 -7.502 1.00 63.49 O ANISOU 4 O GLU A 25 7622 8249 8254 -424 -301 857 O ATOM 5 CB GLU A 25 8.880 11.568 -9.456 1.00 69.85 C ANISOU 5 CB GLU A 25 8447 9080 9014 -408 -322 890 C ATOM 6 CG GLU A 25 8.223 12.442 -8.406 1.00 75.03 C ANISOU 6 CG GLU A 25 9207 9637 9664 -467 -384 850 C ATOM 7 CD GLU A 25 9.034 13.694 -8.125 1.00 88.31 C ANISOU 7 CD GLU A 25 10912 11293 11349 -558 -465 957 C ATOM 8 OE1 GLU A 25 9.972 13.977 -8.903 1.00 91.04 O ANISOU 8 OE1 GLU A 25 11186 11704 11700 -571 -470 1059 O ATOM 9 OE2 GLU A 25 8.742 14.386 -7.126 1.00 91.89 O ANISOU 9 OE2 GLU A 25 11459 11659 11796 -616 -525 942 O ATOM 0 HA GLU A 25 8.828 9.662 -10.212 1.00 69.49 H new ATOM 0 HB2 GLU A 25 9.829 11.510 -9.264 1.00 69.85 H new ATOM 0 HB3 GLU A 25 8.792 12.000 -10.320 1.00 69.85 H new ATOM 0 HG2 GLU A 25 7.334 12.692 -8.704 1.00 75.03 H new ATOM 0 HG3 GLU A 25 8.115 11.936 -7.586 1.00 75.03 H new ATOM 10 N THR A 26 7.407 8.670 -7.865 1.00 52.20 N ANISOU 10 N THR A 26 6248 6791 6795 -318 -233 663 N ATOM 11 CA THR A 26 7.479 7.692 -6.789 1.00 48.54 C ANISOU 11 CA THR A 26 5786 6302 6353 -326 -226 629 C ATOM 12 C THR A 26 6.979 6.374 -7.344 1.00 41.12 C ANISOU 12 C THR A 26 4819 5400 5403 -243 -158 556 C ATOM 13 O THR A 26 5.901 6.331 -7.939 1.00 45.34 O ANISOU 13 O THR A 26 5383 5930 5915 -196 -136 479 O ATOM 14 CB THR A 26 6.622 8.090 -5.580 1.00 51.68 C ANISOU 14 CB THR A 26 6274 6611 6754 -364 -268 565 C ATOM 15 OG1 THR A 26 7.011 9.382 -5.099 1.00 51.58 O ANISOU 15 OG1 THR A 26 6308 6551 6740 -440 -337 628 O ATOM 16 CG2 THR A 26 6.749 7.068 -4.460 1.00 44.37 C ANISOU 16 CG2 THR A 26 5345 5662 5852 -375 -262 534 C ATOM 0 H THR A 26 6.639 8.708 -8.251 1.00 52.20 H new ATOM 0 HA THR A 26 8.396 7.632 -6.479 1.00 48.54 H new ATOM 0 HB THR A 26 5.696 8.120 -5.868 1.00 51.68 H new ATOM 0 HG1 THR A 26 6.535 9.590 -4.439 1.00 51.58 H new ATOM 0 HG21 THR A 26 6.199 7.341 -3.709 1.00 44.37 H new ATOM 0 HG22 THR A 26 6.453 6.201 -4.778 1.00 44.37 H new ATOM 0 HG23 THR A 26 7.675 7.010 -4.178 1.00 44.37 H new ATOM 17 N LEU A 27 7.736 5.298 -7.148 1.00 41.85 N ANISOU 17 N LEU A 27 4861 5529 5512 -227 -127 580 N ATOM 18 CA LEU A 27 7.256 3.986 -7.555 1.00 38.43 C ANISOU 18 CA LEU A 27 4416 5119 5065 -152 -68 507 C ATOM 19 C LEU A 27 6.575 3.362 -6.354 1.00 38.85 C ANISOU 19 C LEU A 27 4511 5115 5135 -168 -79 427 C ATOM 20 O LEU A 27 7.133 3.340 -5.252 1.00 40.92 O ANISOU 20 O LEU A 27 4772 5350 5425 -221 -108 460 O ATOM 21 CB LEU A 27 8.383 3.083 -8.051 1.00 33.13 C ANISOU 21 CB LEU A 27 3674 4518 4395 -111 -19 572 C ATOM 22 CG LEU A 27 8.990 3.307 -9.432 1.00 43.94 C ANISOU 22 CG LEU A 27 4997 5960 5740 -63 15 641 C ATOM 23 CD1 LEU A 27 10.070 2.258 -9.701 1.00 42.89 C ANISOU 23 CD1 LEU A 27 4801 5890 5606 -13 69 704 C ATOM 24 CD2 LEU A 27 7.920 3.228 -10.495 1.00 41.89 C ANISOU 24 CD2 LEU A 27 4772 5703 5442 -1 43 560 C ATOM 0 H LEU A 27 8.517 5.306 -6.787 1.00 41.85 H new ATOM 0 HA LEU A 27 6.641 4.087 -8.298 1.00 38.43 H new ATOM 0 HB2 LEU A 27 9.105 3.142 -7.406 1.00 33.13 H new ATOM 0 HB3 LEU A 27 8.054 2.171 -8.025 1.00 33.13 H new ATOM 0 HG LEU A 27 9.390 4.190 -9.458 1.00 43.94 H new ATOM 0 HD11 LEU A 27 10.452 2.405 -10.580 1.00 42.89 H new ATOM 0 HD12 LEU A 27 10.766 2.331 -9.030 1.00 42.89 H new ATOM 0 HD13 LEU A 27 9.677 1.372 -9.664 1.00 42.89 H new ATOM 0 HD21 LEU A 27 8.319 3.372 -11.367 1.00 41.89 H new ATOM 0 HD22 LEU A 27 7.504 2.352 -10.471 1.00 41.89 H new ATOM 0 HD23 LEU A 27 7.249 3.909 -10.330 1.00 41.89 H new ATOM 25 N VAL A 28 5.377 2.845 -6.579 1.00 31.53 N ANISOU 25 N VAL A 28 3620 4171 4190 -123 -59 329 N ATOM 26 CA VAL A 28 4.548 2.296 -5.520 1.00 30.10 C ANISOU 26 CA VAL A 28 3478 3937 4021 -132 -70 251 C ATOM 27 C VAL A 28 4.044 0.920 -5.925 1.00 35.38 C ANISOU 27 C VAL A 28 4139 4627 4676 -70 -25 183 C ATOM 28 O VAL A 28 3.871 0.607 -7.111 1.00 31.85 O ANISOU 28 O VAL A 28 3683 4220 4200 -16 8 172 O ATOM 29 CB VAL A 28 3.358 3.230 -5.188 1.00 31.75 C ANISOU 29 CB VAL A 28 3751 4091 4221 -149 -103 202 C ATOM 30 CG1 VAL A 28 3.865 4.607 -4.732 1.00 31.24 C ANISOU 30 CG1 VAL A 28 3711 3995 4164 -213 -153 268 C ATOM 31 CG2 VAL A 28 2.432 3.377 -6.391 1.00 28.23 C ANISOU 31 CG2 VAL A 28 3314 3668 3742 -98 -81 161 C ATOM 0 H VAL A 28 5.019 2.803 -7.360 1.00 31.53 H new ATOM 0 HA VAL A 28 5.090 2.218 -4.720 1.00 30.10 H new ATOM 0 HB VAL A 28 2.853 2.830 -4.462 1.00 31.75 H new ATOM 0 HG11 VAL A 28 3.109 5.179 -4.528 1.00 31.24 H new ATOM 0 HG12 VAL A 28 4.415 4.504 -3.939 1.00 31.24 H new ATOM 0 HG13 VAL A 28 4.392 5.009 -5.440 1.00 31.24 H new ATOM 0 HG21 VAL A 28 1.695 3.965 -6.162 1.00 28.23 H new ATOM 0 HG22 VAL A 28 2.926 3.754 -7.136 1.00 28.23 H new ATOM 0 HG23 VAL A 28 2.085 2.506 -6.641 1.00 28.23 H new ATOM 32 N ARG A 29 3.793 0.101 -4.916 1.00 28.42 N ANISOU 32 N ARG A 29 3269 3715 3814 -79 -28 139 N ATOM 33 CA ARG A 29 3.187 -1.212 -5.092 1.00 23.73 C ANISOU 33 CA ARG A 29 2680 3127 3207 -31 2 68 C ATOM 34 C ARG A 29 1.882 -1.184 -4.305 1.00 29.10 C ANISOU 34 C ARG A 29 3406 3757 3894 -45 -25 -6 C ATOM 35 O ARG A 29 1.914 -1.238 -3.061 1.00 28.82 O ANISOU 35 O ARG A 29 3380 3682 3886 -83 -47 -13 O ATOM 36 CB ARG A 29 4.117 -2.308 -4.586 1.00 27.09 C ANISOU 36 CB ARG A 29 3073 3569 3652 -26 25 88 C ATOM 37 CG ARG A 29 5.510 -2.255 -5.214 1.00 28.68 C ANISOU 37 CG ARG A 29 3222 3825 3850 -12 52 181 C ATOM 38 CD ARG A 29 6.384 -3.374 -4.704 1.00 29.58 C ANISOU 38 CD ARG A 29 3303 3957 3980 -1 80 203 C ATOM 39 NE ARG A 29 5.827 -4.657 -5.097 1.00 30.73 N ANISOU 39 NE ARG A 29 3471 4105 4100 60 114 131 N ATOM 40 CZ ARG A 29 6.132 -5.824 -4.548 1.00 31.70 C ANISOU 40 CZ ARG A 29 3587 4226 4233 75 134 114 C ATOM 41 NH1 ARG A 29 7.021 -5.903 -3.559 1.00 31.82 N ANISOU 41 NH1 ARG A 29 3564 4240 4285 36 128 166 N ATOM 42 NH2 ARG A 29 5.547 -6.918 -5.008 1.00 33.15 N ANISOU 42 NH2 ARG A 29 3802 4407 4385 129 159 47 N ATOM 0 H ARG A 29 3.972 0.293 -4.097 1.00 28.42 H new ATOM 0 HA ARG A 29 3.023 -1.406 -6.028 1.00 23.73 H new ATOM 0 HB2 ARG A 29 4.200 -2.234 -3.622 1.00 27.09 H new ATOM 0 HB3 ARG A 29 3.718 -3.173 -4.771 1.00 27.09 H new ATOM 0 HG2 ARG A 29 5.434 -2.315 -6.179 1.00 28.68 H new ATOM 0 HG3 ARG A 29 5.925 -1.401 -5.014 1.00 28.68 H new ATOM 0 HD2 ARG A 29 7.282 -3.280 -5.058 1.00 29.58 H new ATOM 0 HD3 ARG A 29 6.454 -3.325 -3.738 1.00 29.58 H new ATOM 0 HE ARG A 29 5.253 -4.659 -5.738 1.00 30.73 H new ATOM 0 HH11 ARG A 29 7.406 -5.191 -3.269 1.00 31.82 H new ATOM 0 HH12 ARG A 29 7.210 -6.666 -3.211 1.00 31.82 H new ATOM 0 HH21 ARG A 29 4.980 -6.864 -5.652 1.00 33.15 H new ATOM 0 HH22 ARG A 29 5.734 -7.683 -4.663 1.00 33.15 H new ATOM 43 N PRO A 30 0.724 -1.078 -4.971 1.00 27.56 N ANISOU 43 N PRO A 30 3237 3561 3673 -17 -24 -55 N ATOM 44 CA PRO A 30 -0.561 -1.063 -4.246 1.00 22.49 C ANISOU 44 CA PRO A 30 2632 2879 3036 -24 -45 -114 C ATOM 45 C PRO A 30 -0.786 -2.324 -3.430 1.00 22.87 C ANISOU 45 C PRO A 30 2677 2912 3100 -22 -42 -159 C ATOM 46 O PRO A 30 -0.515 -3.440 -3.878 1.00 27.62 O ANISOU 46 O PRO A 30 3263 3538 3692 7 -19 -175 O ATOM 47 CB PRO A 30 -1.605 -0.944 -5.368 1.00 25.31 C ANISOU 47 CB PRO A 30 3003 3254 3358 12 -38 -145 C ATOM 48 CG PRO A 30 -0.892 -0.301 -6.491 1.00 31.04 C ANISOU 48 CG PRO A 30 3712 4016 4065 24 -24 -96 C ATOM 49 CD PRO A 30 0.544 -0.819 -6.411 1.00 24.84 C ANISOU 49 CD PRO A 30 2890 3254 3293 21 -5 -49 C ATOM 0 HA PRO A 30 -0.602 -0.341 -3.599 1.00 22.49 H new ATOM 0 HB2 PRO A 30 -1.947 -1.815 -5.623 1.00 25.31 H new ATOM 0 HB3 PRO A 30 -2.365 -0.412 -5.085 1.00 25.31 H new ATOM 0 HG2 PRO A 30 -1.299 -0.530 -7.341 1.00 31.04 H new ATOM 0 HG3 PRO A 30 -0.920 0.666 -6.415 1.00 31.04 H new ATOM 0 HD2 PRO A 30 0.665 -1.624 -6.938 1.00 24.84 H new ATOM 0 HD3 PRO A 30 1.180 -0.165 -6.741 1.00 24.84 H new ATOM 50 N LYS A 31 -1.316 -2.130 -2.228 1.00 29.08 N ANISOU 50 N LYS A 31 3484 3655 3908 -48 -66 -179 N ATOM 51 CA LYS A 31 -1.745 -3.219 -1.369 1.00 29.44 C ANISOU 51 CA LYS A 31 3530 3685 3972 -48 -68 -225 C ATOM 52 C LYS A 31 -3.003 -3.846 -1.968 1.00 31.58 C ANISOU 52 C LYS A 31 3811 3967 4219 -14 -66 -277 C ATOM 53 O LYS A 31 -3.579 -3.296 -2.907 1.00 32.93 O ANISOU 53 O LYS A 31 3993 4155 4364 4 -66 -275 O ATOM 54 CB LYS A 31 -1.953 -2.691 0.048 1.00 28.58 C ANISOU 54 CB LYS A 31 3444 3526 3888 -82 -94 -225 C ATOM 55 CG LYS A 31 -0.648 -2.257 0.699 1.00 34.90 C ANISOU 55 CG LYS A 31 4236 4312 4711 -125 -104 -171 C ATOM 56 CD LYS A 31 -0.789 -2.267 2.206 1.00 45.76 C ANISOU 56 CD LYS A 31 5635 5638 6112 -156 -126 -184 C ATOM 57 CE LYS A 31 -0.527 -0.907 2.805 1.00 55.78 C ANISOU 57 CE LYS A 31 6949 6864 7381 -194 -157 -143 C ATOM 0 H LYS A 31 -1.437 -1.350 -1.886 1.00 29.08 H new ATOM 0 HA LYS A 31 -1.071 -3.915 -1.313 1.00 29.44 H new ATOM 0 HB2 LYS A 31 -2.566 -1.940 0.024 1.00 28.58 H new ATOM 0 HB3 LYS A 31 -2.369 -3.380 0.590 1.00 28.58 H new ATOM 0 HG2 LYS A 31 0.069 -2.852 0.430 1.00 34.90 H new ATOM 0 HG3 LYS A 31 -0.407 -1.368 0.396 1.00 34.90 H new ATOM 0 HD2 LYS A 31 -1.683 -2.558 2.445 1.00 45.76 H new ATOM 0 HD3 LYS A 31 -0.170 -2.911 2.584 1.00 45.76 H new ATOM 58 N PRO A 32 -3.428 -5.029 -1.484 1.00 31.50 N ANISOU 58 N PRO A 32 3799 3952 4219 -9 -69 -319 N ATOM 59 CA PRO A 32 -4.454 -5.798 -2.219 1.00 36.08 C ANISOU 59 CA PRO A 32 4387 4548 4772 17 -72 -358 C ATOM 60 C PRO A 32 -5.768 -5.089 -2.526 1.00 34.63 C ANISOU 60 C PRO A 32 4220 4366 4573 24 -89 -365 C ATOM 61 O PRO A 32 -6.282 -5.279 -3.636 1.00 32.53 O ANISOU 61 O PRO A 32 3961 4124 4276 44 -88 -374 O ATOM 62 CB PRO A 32 -4.674 -7.015 -1.310 1.00 37.93 C ANISOU 62 CB PRO A 32 4617 4767 5026 10 -81 -394 C ATOM 63 CG PRO A 32 -3.337 -7.234 -0.710 1.00 35.84 C ANISOU 63 CG PRO A 32 4334 4496 4786 -4 -65 -372 C ATOM 64 CD PRO A 32 -2.817 -5.848 -0.418 1.00 37.59 C ANISOU 64 CD PRO A 32 4555 4706 5020 -27 -68 -326 C ATOM 0 HA PRO A 32 -4.140 -5.992 -3.116 1.00 36.08 H new ATOM 0 HB2 PRO A 32 -5.346 -6.840 -0.633 1.00 37.93 H new ATOM 0 HB3 PRO A 32 -4.972 -7.789 -1.813 1.00 37.93 H new ATOM 0 HG2 PRO A 32 -3.397 -7.766 0.099 1.00 35.84 H new ATOM 0 HG3 PRO A 32 -2.751 -7.709 -1.319 1.00 35.84 H new ATOM 0 HD2 PRO A 32 -3.082 -5.544 0.464 1.00 37.59 H new ATOM 0 HD3 PRO A 32 -1.848 -5.814 -0.451 1.00 37.59 H new ATOM 65 N LEU A 33 -6.361 -4.322 -1.599 1.00 31.25 N ANISOU 65 N LEU A 33 3802 3912 4162 12 -102 -358 N ATOM 66 CA LEU A 33 -7.650 -3.707 -1.911 1.00 30.49 C ANISOU 66 CA LEU A 33 3717 3821 4048 26 -112 -357 C ATOM 67 C LEU A 33 -7.503 -2.624 -2.972 1.00 32.10 C ANISOU 67 C LEU A 33 3929 4041 4226 36 -103 -329 C ATOM 68 O LEU A 33 -8.325 -2.538 -3.897 1.00 30.44 O ANISOU 68 O LEU A 33 3719 3855 3990 53 -106 -332 O ATOM 69 CB LEU A 33 -8.319 -3.129 -0.657 1.00 33.19 C ANISOU 69 CB LEU A 33 4073 4131 4407 23 -122 -352 C ATOM 70 CG LEU A 33 -9.725 -2.616 -1.029 1.00 40.23 C ANISOU 70 CG LEU A 33 4970 5037 5278 47 -128 -344 C ATOM 71 CD1 LEU A 33 -10.532 -3.765 -1.615 1.00 41.07 C ANISOU 71 CD1 LEU A 33 5055 5175 5374 52 -141 -365 C ATOM 72 CD2 LEU A 33 -10.513 -1.946 0.115 1.00 31.69 C ANISOU 72 CD2 LEU A 33 3908 3928 4204 59 -130 -330 C ATOM 0 H LEU A 33 -6.046 -4.153 -0.817 1.00 31.25 H new ATOM 0 HA LEU A 33 -8.220 -4.409 -2.262 1.00 30.49 H new ATOM 0 HB2 LEU A 33 -8.382 -3.808 0.032 1.00 33.19 H new ATOM 0 HB3 LEU A 33 -7.784 -2.406 -0.295 1.00 33.19 H new ATOM 0 HG LEU A 33 -9.584 -1.908 -1.677 1.00 40.23 H new ATOM 0 HD11 LEU A 33 -11.418 -3.450 -1.852 1.00 41.07 H new ATOM 0 HD12 LEU A 33 -10.087 -4.102 -2.408 1.00 41.07 H new ATOM 0 HD13 LEU A 33 -10.606 -4.476 -0.959 1.00 41.07 H new ATOM 0 HD21 LEU A 33 -11.379 -1.658 -0.214 1.00 31.69 H new ATOM 0 HD22 LEU A 33 -10.637 -2.581 0.838 1.00 31.69 H new ATOM 0 HD23 LEU A 33 -10.020 -1.177 0.441 1.00 31.69 H new ATOM 73 N LEU A 34 -6.483 -1.767 -2.848 1.00 28.18 N ANISOU 73 N LEU A 34 3438 3531 3737 22 -96 -298 N ATOM 74 CA LEU A 34 -6.256 -0.765 -3.883 1.00 26.11 C ANISOU 74 CA LEU A 34 3181 3287 3453 30 -89 -268 C ATOM 75 C LEU A 34 -5.969 -1.432 -5.226 1.00 31.14 C ANISOU 75 C LEU A 34 3801 3965 4066 49 -75 -275 C ATOM 76 O LEU A 34 -6.503 -1.021 -6.262 1.00 29.86 O ANISOU 76 O LEU A 34 3643 3825 3876 66 -72 -271 O ATOM 77 CB LEU A 34 -5.121 0.169 -3.477 1.00 31.60 C ANISOU 77 CB LEU A 34 3884 3961 4161 4 -92 -226 C ATOM 78 CG LEU A 34 -4.665 1.169 -4.546 1.00 28.55 C ANISOU 78 CG LEU A 34 3498 3596 3755 7 -86 -188 C ATOM 79 CD1 LEU A 34 -5.823 2.065 -4.983 1.00 25.26 C ANISOU 79 CD1 LEU A 34 3104 3177 3315 25 -90 -190 C ATOM 80 CD2 LEU A 34 -3.515 1.991 -4.043 1.00 30.62 C ANISOU 80 CD2 LEU A 34 3768 3836 4032 -29 -98 -140 C ATOM 0 H LEU A 34 -5.928 -1.751 -2.191 1.00 28.18 H new ATOM 0 HA LEU A 34 -7.062 -0.234 -3.983 1.00 26.11 H new ATOM 0 HB2 LEU A 34 -5.399 0.665 -2.691 1.00 31.60 H new ATOM 0 HB3 LEU A 34 -4.358 -0.371 -3.217 1.00 31.60 H new ATOM 0 HG LEU A 34 -4.365 0.669 -5.321 1.00 28.55 H new ATOM 0 HD11 LEU A 34 -5.513 2.689 -5.658 1.00 25.26 H new ATOM 0 HD12 LEU A 34 -6.535 1.518 -5.351 1.00 25.26 H new ATOM 0 HD13 LEU A 34 -6.158 2.558 -4.218 1.00 25.26 H new ATOM 0 HD21 LEU A 34 -3.239 2.617 -4.731 1.00 30.62 H new ATOM 0 HD22 LEU A 34 -3.789 2.480 -3.251 1.00 30.62 H new ATOM 0 HD23 LEU A 34 -2.772 1.408 -3.821 1.00 30.62 H new ATOM 81 N LEU A 35 -5.166 -2.495 -5.220 1.00 26.42 N ANISOU 81 N LEU A 35 3188 3375 3473 50 -64 -285 N ATOM 82 CA LEU A 35 -4.878 -3.201 -6.466 1.00 32.02 C ANISOU 82 CA LEU A 35 3895 4118 4153 78 -47 -292 C ATOM 83 C LEU A 35 -6.141 -3.779 -7.092 1.00 38.43 C ANISOU 83 C LEU A 35 4724 4940 4938 92 -61 -328 C ATOM 84 O LEU A 35 -6.310 -3.734 -8.318 1.00 32.95 O ANISOU 84 O LEU A 35 4040 4270 4209 113 -55 -326 O ATOM 85 CB LEU A 35 -3.857 -4.298 -6.207 1.00 27.38 C ANISOU 85 CB LEU A 35 3296 3534 3574 83 -30 -296 C ATOM 86 CG LEU A 35 -3.305 -5.014 -7.441 1.00 36.12 C ANISOU 86 CG LEU A 35 4409 4672 4644 121 -4 -295 C ATOM 87 CD1 LEU A 35 -2.651 -4.030 -8.394 1.00 35.42 C ANISOU 87 CD1 LEU A 35 4309 4612 4539 135 14 -247 C ATOM 88 CD2 LEU A 35 -2.299 -6.061 -6.987 1.00 35.40 C ANISOU 88 CD2 LEU A 35 4307 4580 4563 130 16 -293 C ATOM 0 H LEU A 35 -4.785 -2.818 -4.520 1.00 26.42 H new ATOM 0 HA LEU A 35 -4.512 -2.563 -7.098 1.00 32.02 H new ATOM 0 HB2 LEU A 35 -3.112 -3.912 -5.720 1.00 27.38 H new ATOM 0 HB3 LEU A 35 -4.263 -4.961 -5.626 1.00 27.38 H new ATOM 0 HG LEU A 35 -4.034 -5.441 -7.917 1.00 36.12 H new ATOM 0 HD11 LEU A 35 -2.309 -4.506 -9.167 1.00 35.42 H new ATOM 0 HD12 LEU A 35 -3.305 -3.374 -8.682 1.00 35.42 H new ATOM 0 HD13 LEU A 35 -1.920 -3.580 -7.943 1.00 35.42 H new ATOM 0 HD21 LEU A 35 -1.941 -6.523 -7.761 1.00 35.40 H new ATOM 0 HD22 LEU A 35 -1.576 -5.628 -6.506 1.00 35.40 H new ATOM 0 HD23 LEU A 35 -2.738 -6.700 -6.404 1.00 35.40 H new ATOM 89 N LYS A 36 -7.038 -4.334 -6.270 1.00 31.68 N ANISOU 89 N LYS A 36 3872 4067 4097 80 -82 -355 N ATOM 90 CA LYS A 36 -8.312 -4.828 -6.788 1.00 30.34 C ANISOU 90 CA LYS A 36 3715 3909 3905 85 -104 -377 C ATOM 91 C LYS A 36 -9.079 -3.727 -7.504 1.00 30.38 C ANISOU 91 C LYS A 36 3722 3930 3892 91 -108 -355 C ATOM 92 O LYS A 36 -9.642 -3.949 -8.581 1.00 32.74 O ANISOU 92 O LYS A 36 4033 4250 4158 100 -117 -360 O ATOM 93 CB LYS A 36 -9.153 -5.415 -5.653 1.00 34.12 C ANISOU 93 CB LYS A 36 4187 4369 4407 69 -128 -396 C ATOM 94 CG LYS A 36 -10.502 -5.964 -6.095 1.00 38.26 C ANISOU 94 CG LYS A 36 4718 4908 4911 66 -158 -406 C ATOM 95 CD LYS A 36 -11.283 -6.508 -4.909 1.00 40.75 C ANISOU 95 CD LYS A 36 5019 5210 5253 51 -181 -415 C ATOM 0 H LYS A 36 -6.928 -4.432 -5.423 1.00 31.68 H new ATOM 0 HA LYS A 36 -8.124 -5.527 -7.433 1.00 30.34 H new ATOM 0 HB2 LYS A 36 -8.650 -6.126 -5.226 1.00 34.12 H new ATOM 0 HB3 LYS A 36 -9.298 -4.728 -4.983 1.00 34.12 H new ATOM 0 HG2 LYS A 36 -11.013 -5.264 -6.530 1.00 38.26 H new ATOM 0 HG3 LYS A 36 -10.370 -6.667 -6.750 1.00 38.26 H new ATOM 96 N LEU A 37 -9.093 -2.528 -6.929 1.00 25.84 N ANISOU 96 N LEU A 37 3141 3342 3334 87 -102 -329 N ATOM 97 CA LEU A 37 -9.735 -1.397 -7.585 1.00 25.40 C ANISOU 97 CA LEU A 37 3089 3300 3261 96 -102 -305 C ATOM 98 C LEU A 37 -9.073 -1.073 -8.927 1.00 26.54 C ANISOU 98 C LEU A 37 3235 3470 3378 109 -86 -292 C ATOM 99 O LEU A 37 -9.759 -0.810 -9.924 1.00 27.46 O ANISOU 99 O LEU A 37 3357 3610 3468 119 -91 -287 O ATOM 100 CB LEU A 37 -9.685 -0.191 -6.652 1.00 31.19 C ANISOU 100 CB LEU A 37 3830 4007 4014 92 -97 -280 C ATOM 101 CG LEU A 37 -10.453 1.062 -7.046 1.00 41.92 C ANISOU 101 CG LEU A 37 5200 5372 5357 106 -95 -252 C ATOM 102 CD1 LEU A 37 -10.982 1.731 -5.786 1.00 49.62 C ANISOU 102 CD1 LEU A 37 6194 6314 6347 110 -98 -240 C ATOM 103 CD2 LEU A 37 -9.563 2.016 -7.841 1.00 43.01 C ANISOU 103 CD2 LEU A 37 5342 5516 5483 105 -83 -227 C ATOM 0 H LEU A 37 -8.739 -2.350 -6.166 1.00 25.84 H new ATOM 0 HA LEU A 37 -10.658 -1.627 -7.774 1.00 25.40 H new ATOM 0 HB2 LEU A 37 -10.010 -0.476 -5.784 1.00 31.19 H new ATOM 0 HB3 LEU A 37 -8.754 0.057 -6.539 1.00 31.19 H new ATOM 0 HG LEU A 37 -11.198 0.819 -7.617 1.00 41.92 H new ATOM 0 HD11 LEU A 37 -11.474 2.532 -6.027 1.00 49.62 H new ATOM 0 HD12 LEU A 37 -11.571 1.119 -5.317 1.00 49.62 H new ATOM 0 HD13 LEU A 37 -10.239 1.969 -5.210 1.00 49.62 H new ATOM 0 HD21 LEU A 37 -10.070 2.807 -8.082 1.00 43.01 H new ATOM 0 HD22 LEU A 37 -8.800 2.274 -7.300 1.00 43.01 H new ATOM 0 HD23 LEU A 37 -9.252 1.574 -8.646 1.00 43.01 H new ATOM 104 N LEU A 38 -7.742 -1.030 -8.964 1.00 25.46 N ANISOU 104 N LEU A 38 3093 3331 3248 108 -68 -280 N ATOM 105 CA LEU A 38 -7.056 -0.742 -10.230 1.00 24.46 C ANISOU 105 CA LEU A 38 2965 3234 3096 126 -50 -260 C ATOM 106 C LEU A 38 -7.297 -1.841 -11.261 1.00 30.54 C ANISOU 106 C LEU A 38 3750 4024 3829 147 -50 -287 C ATOM 107 O LEU A 38 -7.485 -1.560 -12.452 1.00 31.38 O ANISOU 107 O LEU A 38 3865 4154 3904 163 -45 -280 O ATOM 108 CB LEU A 38 -5.547 -0.563 -9.995 1.00 22.99 C ANISOU 108 CB LEU A 38 2763 3048 2926 122 -31 -230 C ATOM 109 CG LEU A 38 -5.118 0.473 -8.949 1.00 28.12 C ANISOU 109 CG LEU A 38 3408 3669 3607 93 -40 -199 C ATOM 110 CD1 LEU A 38 -3.591 0.576 -8.841 1.00 36.18 C ANISOU 110 CD1 LEU A 38 4407 4697 4641 83 -26 -156 C ATOM 111 CD2 LEU A 38 -5.724 1.847 -9.204 1.00 33.10 C ANISOU 111 CD2 LEU A 38 4051 4295 4229 89 -49 -178 C ATOM 0 H LEU A 38 -7.226 -1.160 -8.288 1.00 25.46 H new ATOM 0 HA LEU A 38 -7.424 0.084 -10.581 1.00 24.46 H new ATOM 0 HB2 LEU A 38 -5.179 -1.422 -9.735 1.00 22.99 H new ATOM 0 HB3 LEU A 38 -5.137 -0.323 -10.841 1.00 22.99 H new ATOM 0 HG LEU A 38 -5.464 0.153 -8.101 1.00 28.12 H new ATOM 0 HD11 LEU A 38 -3.358 1.239 -8.172 1.00 36.18 H new ATOM 0 HD12 LEU A 38 -3.226 -0.285 -8.584 1.00 36.18 H new ATOM 0 HD13 LEU A 38 -3.223 0.840 -9.699 1.00 36.18 H new ATOM 0 HD21 LEU A 38 -5.425 2.465 -8.519 1.00 33.10 H new ATOM 0 HD22 LEU A 38 -5.442 2.169 -10.075 1.00 33.10 H new ATOM 0 HD23 LEU A 38 -6.692 1.783 -9.181 1.00 33.10 H new ATOM 112 N LYS A 39 -7.287 -3.102 -10.826 1.00 27.44 N ANISOU 112 N LYS A 39 3367 3619 3439 146 -56 -318 N ATOM 113 CA LYS A 39 -7.524 -4.200 -11.756 1.00 32.63 C ANISOU 113 CA LYS A 39 4055 4286 4056 164 -61 -345 C ATOM 114 C LYS A 39 -8.967 -4.244 -12.241 1.00 34.26 C ANISOU 114 C LYS A 39 4278 4498 4241 153 -94 -358 C ATOM 115 O LYS A 39 -9.229 -4.820 -13.311 1.00 34.90 O ANISOU 115 O LYS A 39 4393 4589 4279 165 -103 -371 O ATOM 116 CB LYS A 39 -7.139 -5.524 -11.102 1.00 34.57 C ANISOU 116 CB LYS A 39 4314 4513 4309 164 -63 -374 C ATOM 117 CG LYS A 39 -5.645 -5.628 -10.835 1.00 39.19 C ANISOU 117 CG LYS A 39 4884 5101 4907 181 -27 -354 C ATOM 118 CD LYS A 39 -5.234 -6.996 -10.334 1.00 50.89 C ANISOU 118 CD LYS A 39 6381 6566 6389 188 -23 -381 C ATOM 119 CE LYS A 39 -3.708 -7.119 -10.392 1.00 65.37 C ANISOU 119 CE LYS A 39 8199 8414 8225 216 20 -350 C ATOM 120 NZ LYS A 39 -3.223 -8.525 -10.299 1.00 71.33 N ANISOU 120 NZ LYS A 39 8981 9158 8962 242 33 -373 N ATOM 0 H LYS A 39 -7.147 -3.338 -10.011 1.00 27.44 H new ATOM 0 HA LYS A 39 -6.968 -4.050 -12.537 1.00 32.63 H new ATOM 0 HB2 LYS A 39 -7.622 -5.621 -10.266 1.00 34.57 H new ATOM 0 HB3 LYS A 39 -7.414 -6.257 -11.675 1.00 34.57 H new ATOM 0 HG2 LYS A 39 -5.160 -5.427 -11.651 1.00 39.19 H new ATOM 0 HG3 LYS A 39 -5.390 -4.958 -10.181 1.00 39.19 H new ATOM 0 HD2 LYS A 39 -5.545 -7.126 -9.424 1.00 50.89 H new ATOM 0 HD3 LYS A 39 -5.645 -7.687 -10.876 1.00 50.89 H new ATOM 0 HE2 LYS A 39 -3.390 -6.729 -11.221 1.00 65.37 H new ATOM 0 HE3 LYS A 39 -3.321 -6.602 -9.668 1.00 65.37 H new ATOM 0 HZ1 LYS A 39 -2.334 -8.536 -10.338 1.00 71.33 H new ATOM 0 HZ2 LYS A 39 -3.490 -8.881 -9.528 1.00 71.33 H new ATOM 0 HZ3 LYS A 39 -3.555 -8.999 -10.975 1.00 71.33 H new ATOM 121 N SER A 40 -9.894 -3.618 -11.503 1.00 28.10 N ANISOU 121 N SER A 40 3477 3713 3487 131 -112 -348 N ATOM 122 CA SER A 40 -11.283 -3.526 -11.942 1.00 30.74 C ANISOU 122 CA SER A 40 3815 4060 3804 121 -142 -344 C ATOM 123 C SER A 40 -11.419 -2.716 -13.215 1.00 35.14 C ANISOU 123 C SER A 40 4378 4643 4331 134 -134 -324 C ATOM 124 O SER A 40 -12.350 -2.954 -13.991 1.00 35.77 O ANISOU 124 O SER A 40 4471 4737 4382 127 -159 -323 O ATOM 125 CB SER A 40 -12.161 -2.853 -10.870 1.00 30.71 C ANISOU 125 CB SER A 40 3784 4050 3833 108 -151 -325 C ATOM 126 OG SER A 40 -12.220 -3.601 -9.684 1.00 47.83 O ANISOU 126 OG SER A 40 5946 6198 6030 95 -162 -342 O ATOM 0 H SER A 40 -9.734 -3.242 -10.746 1.00 28.10 H new ATOM 0 HA SER A 40 -11.576 -4.437 -12.099 1.00 30.74 H new ATOM 0 HB2 SER A 40 -11.811 -1.970 -10.676 1.00 30.71 H new ATOM 0 HB3 SER A 40 -13.058 -2.732 -11.219 1.00 30.71 H new ATOM 0 HG SER A 40 -11.445 -3.695 -9.373 1.00 47.83 H new ATOM 127 N VAL A 41 -10.501 -1.784 -13.470 1.00 30.31 N ANISOU 127 N VAL A 41 3755 4036 3723 149 -103 -304 N ATOM 128 CA VAL A 41 -10.540 -1.008 -14.703 1.00 30.73 C ANISOU 128 CA VAL A 41 3811 4115 3748 164 -93 -284 C ATOM 129 C VAL A 41 -9.364 -1.348 -15.610 1.00 32.58 C ANISOU 129 C VAL A 41 4063 4361 3956 190 -68 -285 C ATOM 130 O VAL A 41 -8.989 -0.550 -16.467 1.00 35.25 O ANISOU 130 O VAL A 41 4395 4720 4279 206 -50 -262 O ATOM 131 CB VAL A 41 -10.655 0.507 -14.440 1.00 24.49 C ANISOU 131 CB VAL A 41 2999 3329 2979 162 -82 -250 C ATOM 132 CG1 VAL A 41 -12.052 0.838 -13.935 1.00 28.51 C ANISOU 132 CG1 VAL A 41 3499 3837 3497 150 -103 -241 C ATOM 133 CG2 VAL A 41 -9.643 0.981 -13.436 1.00 28.25 C ANISOU 133 CG2 VAL A 41 3462 3783 3488 157 -65 -237 C ATOM 0 H VAL A 41 -9.851 -1.588 -12.943 1.00 30.31 H new ATOM 0 HA VAL A 41 -11.349 -1.262 -15.174 1.00 30.73 H new ATOM 0 HB VAL A 41 -10.483 0.962 -15.279 1.00 24.49 H new ATOM 0 HG11 VAL A 41 -12.120 1.792 -13.771 1.00 28.51 H new ATOM 0 HG12 VAL A 41 -12.707 0.578 -14.601 1.00 28.51 H new ATOM 0 HG13 VAL A 41 -12.221 0.356 -13.110 1.00 28.51 H new ATOM 0 HG21 VAL A 41 -9.747 1.935 -13.298 1.00 28.25 H new ATOM 0 HG22 VAL A 41 -9.779 0.516 -12.595 1.00 28.25 H new ATOM 0 HG23 VAL A 41 -8.749 0.798 -13.766 1.00 28.25 H new ATOM 134 N GLY A 42 -8.794 -2.539 -15.445 1.00 27.65 N ANISOU 134 N GLY A 42 3459 3724 3323 200 -64 -310 N ATOM 135 CA GLY A 42 -7.863 -3.084 -16.411 1.00 27.67 C ANISOU 135 CA GLY A 42 3489 3738 3288 236 -39 -312 C ATOM 136 C GLY A 42 -6.384 -2.931 -16.126 1.00 31.65 C ANISOU 136 C GLY A 42 3969 4248 3808 258 0 -286 C ATOM 137 O GLY A 42 -5.575 -3.273 -16.995 1.00 34.28 O ANISOU 137 O GLY A 42 4320 4598 4107 298 28 -276 O ATOM 0 H GLY A 42 -8.940 -3.049 -14.768 1.00 27.65 H new ATOM 0 HA2 GLY A 42 -8.052 -4.031 -16.507 1.00 27.67 H new ATOM 0 HA3 GLY A 42 -8.046 -2.670 -17.269 1.00 27.67 H new ATOM 138 N ALA A 43 -5.992 -2.432 -14.958 1.00 31.05 N ANISOU 138 N ALA A 43 3856 4161 3781 235 3 -270 N ATOM 139 CA ALA A 43 -4.565 -2.385 -14.649 1.00 33.79 C ANISOU 139 CA ALA A 43 4179 4516 4145 249 34 -237 C ATOM 140 C ALA A 43 -3.973 -3.790 -14.611 1.00 35.20 C ANISOU 140 C ALA A 43 4380 4688 4305 276 51 -257 C ATOM 141 O ALA A 43 -4.612 -4.742 -14.161 1.00 39.85 O ANISOU 141 O ALA A 43 4996 5254 4893 266 29 -300 O ATOM 142 CB ALA A 43 -4.316 -1.685 -13.314 1.00 33.61 C ANISOU 142 CB ALA A 43 4121 4473 4174 211 25 -217 C ATOM 0 H ALA A 43 -6.515 -2.125 -14.348 1.00 31.05 H new ATOM 0 HA ALA A 43 -4.129 -1.878 -15.352 1.00 33.79 H new ATOM 0 HB1 ALA A 43 -3.364 -1.666 -13.131 1.00 33.61 H new ATOM 0 HB2 ALA A 43 -4.655 -0.777 -13.356 1.00 33.61 H new ATOM 0 HB3 ALA A 43 -4.771 -2.167 -12.606 1.00 33.61 H new ATOM 143 N GLN A 44 -2.729 -3.915 -15.079 1.00 37.98 N ANISOU 143 N GLN A 44 4722 5065 4643 314 90 -221 N ATOM 144 CA GLN A 44 -2.093 -5.219 -15.220 1.00 43.65 C ANISOU 144 CA GLN A 44 5471 5781 5335 355 115 -234 C ATOM 145 C GLN A 44 -0.742 -5.284 -14.515 1.00 47.37 C ANISOU 145 C GLN A 44 5898 6264 5836 363 147 -188 C ATOM 146 O GLN A 44 0.052 -6.184 -14.810 1.00 53.07 O ANISOU 146 O GLN A 44 6636 6997 6531 412 183 -178 O ATOM 147 CB GLN A 44 -1.903 -5.578 -16.700 1.00 49.48 C ANISOU 147 CB GLN A 44 6253 6539 6007 414 141 -232 C ATOM 148 CG GLN A 44 -3.082 -5.269 -17.625 1.00 54.16 C ANISOU 148 CG GLN A 44 6883 7130 6567 406 111 -260 C ATOM 149 CD GLN A 44 -4.038 -6.436 -17.779 1.00 57.30 C ANISOU 149 CD GLN A 44 7350 7494 6928 402 78 -319 C ATOM 150 OE1 GLN A 44 -3.628 -7.600 -17.743 1.00 64.37 O ANISOU 150 OE1 GLN A 44 8289 8372 7796 433 91 -339 O ATOM 151 NE2 GLN A 44 -5.323 -6.131 -17.946 1.00 52.77 N ANISOU 151 NE2 GLN A 44 6787 6910 6352 363 34 -342 N ATOM 0 H GLN A 44 -2.238 -3.252 -15.320 1.00 37.98 H new ATOM 0 HA GLN A 44 -2.687 -5.860 -14.800 1.00 43.65 H new ATOM 0 HB2 GLN A 44 -1.123 -5.105 -17.031 1.00 49.48 H new ATOM 0 HB3 GLN A 44 -1.707 -6.526 -16.761 1.00 49.48 H new ATOM 0 HG2 GLN A 44 -3.567 -4.504 -17.278 1.00 54.16 H new ATOM 0 HG3 GLN A 44 -2.744 -5.017 -18.499 1.00 54.16 H new ATOM 0 HE21 GLN A 44 -5.570 -5.308 -17.966 1.00 52.77 H new ATOM 0 HE22 GLN A 44 -5.906 -6.757 -18.034 1.00 52.77 H new ATOM 152 N LYS A 45 -0.439 -4.355 -13.611 1.00 38.84 N ANISOU 152 N LYS A 45 4767 5183 4808 318 136 -153 N ATOM 153 CA LYS A 45 0.912 -4.299 -13.070 1.00 37.34 C ANISOU 153 CA LYS A 45 4531 5011 4645 320 162 -94 C ATOM 154 C LYS A 45 0.968 -4.585 -11.578 1.00 35.08 C ANISOU 154 C LYS A 45 4227 4693 4407 275 142 -106 C ATOM 155 O LYS A 45 -0.032 -4.590 -10.854 1.00 35.45 O ANISOU 155 O LYS A 45 4291 4705 4473 238 107 -155 O ATOM 156 CB LYS A 45 1.579 -2.938 -13.296 1.00 39.82 C ANISOU 156 CB LYS A 45 4799 5355 4978 303 164 -21 C ATOM 157 CG LYS A 45 1.783 -2.458 -14.721 1.00 43.55 C ANISOU 157 CG LYS A 45 5272 5867 5410 346 188 11 C ATOM 158 CD LYS A 45 2.137 -0.978 -14.659 1.00 41.19 C ANISOU 158 CD LYS A 45 4930 5583 5139 306 171 72 C ATOM 159 CE LYS A 45 2.500 -0.411 -16.000 1.00 46.57 C ANISOU 159 CE LYS A 45 5599 6308 5786 346 195 117 C ATOM 160 NZ LYS A 45 3.143 0.912 -15.799 1.00 53.49 N ANISOU 160 NZ LYS A 45 6428 7202 6694 304 178 193 N ATOM 0 H LYS A 45 -0.985 -3.765 -13.306 1.00 38.84 H new ATOM 0 HA LYS A 45 1.389 -4.991 -13.554 1.00 37.34 H new ATOM 0 HB2 LYS A 45 1.050 -2.270 -12.833 1.00 39.82 H new ATOM 0 HB3 LYS A 45 2.448 -2.960 -12.865 1.00 39.82 H new ATOM 0 HG2 LYS A 45 2.492 -2.961 -15.152 1.00 43.55 H new ATOM 0 HG3 LYS A 45 0.979 -2.595 -15.246 1.00 43.55 H new ATOM 0 HD2 LYS A 45 1.385 -0.485 -14.297 1.00 41.19 H new ATOM 0 HD3 LYS A 45 2.879 -0.853 -14.048 1.00 41.19 H new ATOM 0 HE2 LYS A 45 3.103 -1.011 -16.467 1.00 46.57 H new ATOM 0 HE3 LYS A 45 1.708 -0.319 -16.552 1.00 46.57 H new ATOM 0 HZ1 LYS A 45 3.614 1.126 -16.523 1.00 53.49 H new ATOM 0 HZ2 LYS A 45 2.517 1.529 -15.660 1.00 53.49 H new ATOM 0 HZ3 LYS A 45 3.684 0.875 -15.093 1.00 53.49 H new ATOM 161 N ASP A 46 2.200 -4.729 -11.113 1.00 35.53 N ANISOU 161 N ASP A 46 4247 4769 4486 278 166 -51 N ATOM 162 CA ASP A 46 2.471 -4.797 -9.692 1.00 33.73 C ANISOU 162 CA ASP A 46 3994 4515 4307 229 147 -46 C ATOM 163 C ASP A 46 2.946 -3.465 -9.164 1.00 32.57 C ANISOU 163 C ASP A 46 3810 4368 4197 177 125 15 C ATOM 164 O ASP A 46 2.571 -3.069 -8.053 1.00 29.72 O ANISOU 164 O ASP A 46 3452 3970 3872 124 90 -1 O ATOM 165 CB ASP A 46 3.571 -5.846 -9.438 1.00 32.66 C ANISOU 165 CB ASP A 46 3839 4397 4172 261 185 -17 C ATOM 166 CG ASP A 46 4.182 -5.750 -8.044 1.00 35.38 C ANISOU 166 CG ASP A 46 4146 4726 4570 208 170 14 C ATOM 167 OD1 ASP A 46 3.802 -6.577 -7.187 1.00 33.13 O ANISOU 167 OD1 ASP A 46 3877 4410 4301 195 159 -37 O ATOM 168 OD2 ASP A 46 5.039 -4.861 -7.800 1.00 31.31 O ANISOU 168 OD2 ASP A 46 3586 4229 4080 177 165 91 O ATOM 0 H ASP A 46 2.898 -4.790 -11.612 1.00 35.53 H new ATOM 0 HA ASP A 46 1.650 -5.040 -9.237 1.00 33.73 H new ATOM 0 HB2 ASP A 46 3.198 -6.733 -9.561 1.00 32.66 H new ATOM 0 HB3 ASP A 46 4.272 -5.738 -10.100 1.00 32.66 H new ATOM 169 N THR A 47 3.630 -2.715 -10.008 1.00 29.63 N ANISOU 169 N THR A 47 3411 4035 3811 191 140 80 N ATOM 170 CA THR A 47 4.307 -1.492 -9.625 1.00 26.32 C ANISOU 170 CA THR A 47 2957 3622 3423 141 117 154 C ATOM 171 C THR A 47 3.870 -0.390 -10.562 1.00 30.66 C ANISOU 171 C THR A 47 3515 4183 3952 143 106 165 C ATOM 172 O THR A 47 3.752 -0.604 -11.771 1.00 35.80 O ANISOU 172 O THR A 47 4172 4866 4563 196 135 159 O ATOM 173 CB THR A 47 5.828 -1.679 -9.686 1.00 35.30 C ANISOU 173 CB THR A 47 4038 4805 4568 153 146 249 C ATOM 174 OG1 THR A 47 6.203 -2.763 -8.824 1.00 32.36 O ANISOU 174 OG1 THR A 47 3660 4423 4215 155 160 236 O ATOM 175 CG2 THR A 47 6.551 -0.411 -9.267 1.00 34.49 C ANISOU 175 CG2 THR A 47 3900 4706 4496 90 112 335 C ATOM 0 H THR A 47 3.716 -2.908 -10.842 1.00 29.63 H new ATOM 0 HA THR A 47 4.075 -1.259 -8.713 1.00 26.32 H new ATOM 0 HB THR A 47 6.082 -1.880 -10.600 1.00 35.30 H new ATOM 0 HG1 THR A 47 5.527 -3.230 -8.650 1.00 32.36 H new ATOM 0 HG21 THR A 47 7.509 -0.554 -9.314 1.00 34.49 H new ATOM 0 HG22 THR A 47 6.303 0.314 -9.862 1.00 34.49 H new ATOM 0 HG23 THR A 47 6.303 -0.182 -8.358 1.00 34.49 H new ATOM 176 N TYR A 48 3.647 0.787 -9.993 1.00 31.06 N ANISOU 176 N TYR A 48 3571 4205 4026 86 64 182 N ATOM 177 CA TYR A 48 3.081 1.922 -10.695 1.00 33.37 C ANISOU 177 CA TYR A 48 3879 4498 4302 80 47 185 C ATOM 178 C TYR A 48 3.838 3.163 -10.257 1.00 30.39 C ANISOU 178 C TYR A 48 3484 4115 3949 22 13 264 C ATOM 179 O TYR A 48 4.490 3.169 -9.214 1.00 37.40 O ANISOU 179 O TYR A 48 4360 4983 4867 -22 -8 299 O ATOM 180 CB TYR A 48 1.588 2.091 -10.355 1.00 30.51 C ANISOU 180 CB TYR A 48 3567 4091 3936 70 23 105 C ATOM 181 CG TYR A 48 0.717 0.906 -10.688 1.00 32.91 C ANISOU 181 CG TYR A 48 3893 4394 4218 113 43 30 C ATOM 182 CD1 TYR A 48 0.690 -0.217 -9.865 1.00 32.11 C ANISOU 182 CD1 TYR A 48 3797 4274 4131 113 46 -7 C ATOM 183 CD2 TYR A 48 -0.121 0.931 -11.791 1.00 38.47 C ANISOU 183 CD2 TYR A 48 4617 5114 4886 147 51 -3 C ATOM 184 CE1 TYR A 48 -0.102 -1.290 -10.160 1.00 28.53 C ANISOU 184 CE1 TYR A 48 3369 3816 3655 145 56 -71 C ATOM 185 CE2 TYR A 48 -0.930 -0.152 -12.098 1.00 32.76 C ANISOU 185 CE2 TYR A 48 3922 4387 4140 177 59 -66 C ATOM 186 CZ TYR A 48 -0.913 -1.256 -11.278 1.00 32.19 C ANISOU 186 CZ TYR A 48 3856 4294 4081 175 60 -99 C ATOM 187 OH TYR A 48 -1.707 -2.337 -11.562 1.00 37.43 O ANISOU 187 OH TYR A 48 4552 4951 4720 198 60 -158 O ATOM 0 H TYR A 48 3.826 0.949 -9.168 1.00 31.06 H new ATOM 0 HA TYR A 48 3.158 1.783 -11.652 1.00 33.37 H new ATOM 0 HB2 TYR A 48 1.506 2.279 -9.407 1.00 30.51 H new ATOM 0 HB3 TYR A 48 1.249 2.867 -10.828 1.00 30.51 H new ATOM 0 HD1 TYR A 48 1.220 -0.237 -9.101 1.00 32.11 H new ATOM 0 HD2 TYR A 48 -0.141 1.686 -12.334 1.00 38.47 H new ATOM 0 HE1 TYR A 48 -0.095 -2.040 -9.611 1.00 28.53 H new ATOM 0 HE2 TYR A 48 -1.478 -0.132 -12.849 1.00 32.76 H new ATOM 0 HH TYR A 48 -1.296 -3.044 -11.371 1.00 37.43 H new ATOM 188 N THR A 49 3.742 4.224 -11.048 1.00 30.42 N ANISOU 188 N THR A 49 3488 4133 3938 20 3 295 N ATOM 189 CA THR A 49 4.055 5.524 -10.481 1.00 31.62 C ANISOU 189 CA THR A 49 3649 4257 4108 -44 -45 349 C ATOM 190 C THR A 49 2.842 6.042 -9.708 1.00 36.26 C ANISOU 190 C THR A 49 4300 4778 4697 -69 -77 282 C ATOM 191 O THR A 49 1.710 5.581 -9.894 1.00 31.94 O ANISOU 191 O THR A 49 3779 4220 4135 -34 -62 206 O ATOM 192 CB THR A 49 4.461 6.526 -11.562 1.00 39.18 C ANISOU 192 CB THR A 49 4584 5253 5049 -42 -48 413 C ATOM 193 OG1 THR A 49 3.357 6.749 -12.445 1.00 35.69 O ANISOU 193 OG1 THR A 49 4170 4814 4579 -3 -34 354 O ATOM 194 CG2 THR A 49 5.644 5.995 -12.373 1.00 43.82 C ANISOU 194 CG2 THR A 49 5105 5912 5631 -5 -9 486 C ATOM 0 H THR A 49 3.509 4.217 -11.876 1.00 30.42 H new ATOM 0 HA THR A 49 4.810 5.423 -9.880 1.00 31.62 H new ATOM 0 HB THR A 49 4.719 7.356 -11.131 1.00 39.18 H new ATOM 0 HG1 THR A 49 3.529 6.419 -13.198 1.00 35.69 H new ATOM 0 HG21 THR A 49 5.887 6.643 -13.053 1.00 43.82 H new ATOM 0 HG22 THR A 49 6.400 5.846 -11.784 1.00 43.82 H new ATOM 0 HG23 THR A 49 5.396 5.159 -12.798 1.00 43.82 H new ATOM 195 N MET A 50 3.094 6.991 -8.806 1.00 32.37 N ANISOU 195 N MET A 50 3838 4240 4222 -130 -124 318 N ATOM 196 CA MET A 50 1.995 7.651 -8.105 1.00 35.70 C ANISOU 196 CA MET A 50 4329 4598 4638 -146 -152 267 C ATOM 197 C MET A 50 1.036 8.326 -9.078 1.00 34.98 C ANISOU 197 C MET A 50 4258 4516 4518 -113 -143 240 C ATOM 198 O MET A 50 -0.183 8.278 -8.894 1.00 34.17 O ANISOU 198 O MET A 50 4193 4387 4404 -89 -138 176 O ATOM 199 CB MET A 50 2.547 8.670 -7.114 1.00 38.35 C ANISOU 199 CB MET A 50 4705 4880 4986 -215 -207 320 C ATOM 200 CG MET A 50 1.498 9.313 -6.240 1.00 48.32 C ANISOU 200 CG MET A 50 6051 6069 6239 -225 -233 272 C ATOM 201 SD MET A 50 0.724 8.175 -5.085 1.00 58.35 S ANISOU 201 SD MET A 50 7341 7306 7524 -206 -218 193 S ATOM 202 CE MET A 50 -0.721 9.137 -4.641 1.00 57.06 C ANISOU 202 CE MET A 50 7267 7081 7334 -188 -232 147 C ATOM 0 H MET A 50 3.880 7.263 -8.589 1.00 32.37 H new ATOM 0 HA MET A 50 1.496 6.973 -7.623 1.00 35.70 H new ATOM 0 HB2 MET A 50 3.202 8.233 -6.548 1.00 38.35 H new ATOM 0 HB3 MET A 50 3.014 9.364 -7.605 1.00 38.35 H new ATOM 0 HG2 MET A 50 1.904 10.040 -5.742 1.00 48.32 H new ATOM 0 HG3 MET A 50 0.813 9.704 -6.805 1.00 48.32 H new ATOM 0 HE1 MET A 50 -1.072 8.822 -3.793 1.00 57.06 H new ATOM 0 HE2 MET A 50 -0.476 10.072 -4.561 1.00 57.06 H new ATOM 0 HE3 MET A 50 -1.399 9.039 -5.328 1.00 57.06 H new ATOM 203 N LYS A 51 1.572 8.992 -10.096 1.00 35.46 N ANISOU 203 N LYS A 51 4291 4615 4566 -112 -143 295 N ATOM 204 CA LYS A 51 0.721 9.605 -11.109 1.00 31.77 C ANISOU 204 CA LYS A 51 3837 4162 4072 -80 -132 273 C ATOM 205 C LYS A 51 -0.163 8.562 -11.787 1.00 33.98 C ANISOU 205 C LYS A 51 4103 4473 4336 -21 -90 204 C ATOM 206 O LYS A 51 -1.362 8.785 -11.991 1.00 33.76 O ANISOU 206 O LYS A 51 4106 4431 4292 1 -87 156 O ATOM 207 CB LYS A 51 1.602 10.327 -12.133 1.00 33.31 C ANISOU 207 CB LYS A 51 3993 4403 4260 -86 -135 349 C ATOM 208 CG LYS A 51 0.853 11.011 -13.264 1.00 37.02 C ANISOU 208 CG LYS A 51 4471 4893 4702 -56 -124 335 C ATOM 209 CD LYS A 51 1.816 11.665 -14.236 1.00 39.15 C ANISOU 209 CD LYS A 51 4696 5212 4967 -63 -126 415 C ATOM 0 H LYS A 51 2.416 9.100 -10.218 1.00 35.46 H new ATOM 0 HA LYS A 51 0.132 10.248 -10.684 1.00 31.77 H new ATOM 0 HB2 LYS A 51 2.134 10.992 -11.669 1.00 33.31 H new ATOM 0 HB3 LYS A 51 2.220 9.685 -12.516 1.00 33.31 H new ATOM 0 HG2 LYS A 51 0.306 10.362 -13.733 1.00 37.02 H new ATOM 0 HG3 LYS A 51 0.251 11.679 -12.900 1.00 37.02 H new ATOM 210 N GLU A 52 0.419 7.408 -12.117 1.00 32.89 N ANISOU 210 N GLU A 52 3924 4374 4200 6 -59 203 N ATOM 211 CA GLU A 52 -0.301 6.325 -12.782 1.00 34.14 C ANISOU 211 CA GLU A 52 4077 4556 4337 58 -25 142 C ATOM 212 C GLU A 52 -1.481 5.846 -11.943 1.00 32.23 C ANISOU 212 C GLU A 52 3873 4272 4101 57 -34 72 C ATOM 213 O GLU A 52 -2.574 5.606 -12.467 1.00 28.05 O ANISOU 213 O GLU A 52 3359 3748 3551 85 -26 25 O ATOM 214 CB GLU A 52 0.677 5.184 -13.037 1.00 34.52 C ANISOU 214 CB GLU A 52 4087 4642 4386 84 6 160 C ATOM 215 CG GLU A 52 0.284 4.166 -14.062 1.00 43.19 C ANISOU 215 CG GLU A 52 5187 5773 5452 142 42 119 C ATOM 216 CD GLU A 52 1.462 3.270 -14.402 1.00 50.27 C ANISOU 216 CD GLU A 52 6049 6709 6342 175 77 156 C ATOM 217 OE1 GLU A 52 2.499 3.381 -13.704 1.00 43.91 O ANISOU 217 OE1 GLU A 52 5214 5907 5565 147 72 213 O ATOM 218 OE2 GLU A 52 1.364 2.468 -15.357 1.00 56.71 O ANISOU 218 OE2 GLU A 52 6873 7553 7123 230 110 134 O ATOM 0 H GLU A 52 1.246 7.232 -11.960 1.00 32.89 H new ATOM 0 HA GLU A 52 -0.663 6.647 -13.622 1.00 34.14 H new ATOM 0 HB2 GLU A 52 1.526 5.569 -13.305 1.00 34.52 H new ATOM 0 HB3 GLU A 52 0.828 4.723 -12.197 1.00 34.52 H new ATOM 0 HG2 GLU A 52 -0.451 3.629 -13.727 1.00 43.19 H new ATOM 0 HG3 GLU A 52 -0.032 4.612 -14.863 1.00 43.19 H new ATOM 219 N VAL A 53 -1.246 5.631 -10.646 1.00 26.39 N ANISOU 219 N VAL A 53 3145 3494 3389 26 -52 68 N ATOM 220 CA VAL A 53 -2.310 5.209 -9.732 1.00 28.58 C ANISOU 220 CA VAL A 53 3455 3732 3673 25 -61 10 C ATOM 221 C VAL A 53 -3.418 6.251 -9.689 1.00 27.43 C ANISOU 221 C VAL A 53 3347 3559 3514 26 -76 -3 C ATOM 222 O VAL A 53 -4.609 5.914 -9.678 1.00 25.56 O ANISOU 222 O VAL A 53 3125 3319 3268 48 -71 -48 O ATOM 223 CB VAL A 53 -1.735 4.958 -8.320 1.00 30.74 C ANISOU 223 CB VAL A 53 3735 3966 3978 -12 -78 18 C ATOM 224 CG1 VAL A 53 -2.864 4.904 -7.280 1.00 27.17 C ANISOU 224 CG1 VAL A 53 3324 3467 3531 -14 -92 -31 C ATOM 225 CG2 VAL A 53 -0.936 3.683 -8.277 1.00 31.81 C ANISOU 225 CG2 VAL A 53 3834 4128 4125 -2 -57 16 C ATOM 0 H VAL A 53 -0.475 5.724 -10.276 1.00 26.39 H new ATOM 0 HA VAL A 53 -2.690 4.378 -10.058 1.00 28.58 H new ATOM 0 HB VAL A 53 -1.144 5.697 -8.106 1.00 30.74 H new ATOM 0 HG11 VAL A 53 -2.487 4.746 -6.400 1.00 27.17 H new ATOM 0 HG12 VAL A 53 -3.344 5.747 -7.279 1.00 27.17 H new ATOM 0 HG13 VAL A 53 -3.475 4.185 -7.503 1.00 27.17 H new ATOM 0 HG21 VAL A 53 -0.587 3.549 -7.382 1.00 31.81 H new ATOM 0 HG22 VAL A 53 -1.506 2.935 -8.516 1.00 31.81 H new ATOM 0 HG23 VAL A 53 -0.199 3.741 -8.905 1.00 31.81 H new ATOM 226 N LEU A 54 -3.045 7.534 -9.644 1.00 25.39 N ANISOU 226 N LEU A 54 3110 3283 3255 1 -96 43 N ATOM 227 CA LEU A 54 -4.054 8.583 -9.582 1.00 26.14 C ANISOU 227 CA LEU A 54 3249 3350 3333 7 -108 35 C ATOM 228 C LEU A 54 -4.930 8.563 -10.818 1.00 26.78 C ANISOU 228 C LEU A 54 3315 3473 3389 45 -86 15 C ATOM 229 O LEU A 54 -6.146 8.762 -10.726 1.00 29.05 O ANISOU 229 O LEU A 54 3625 3748 3664 66 -84 -12 O ATOM 230 CB LEU A 54 -3.399 9.951 -9.429 1.00 29.74 C ANISOU 230 CB LEU A 54 3735 3778 3786 -29 -137 91 C ATOM 231 CG LEU A 54 -2.786 10.270 -8.063 1.00 33.35 C ANISOU 231 CG LEU A 54 4234 4177 4261 -74 -170 113 C ATOM 232 CD1 LEU A 54 -1.911 11.502 -8.200 1.00 37.53 C ANISOU 232 CD1 LEU A 54 4785 4690 4786 -117 -205 180 C ATOM 233 CD2 LEU A 54 -3.901 10.551 -7.106 1.00 35.36 C ANISOU 233 CD2 LEU A 54 4551 4377 4506 -60 -176 76 C ATOM 0 H LEU A 54 -2.230 7.809 -9.648 1.00 25.39 H new ATOM 0 HA LEU A 54 -4.611 8.415 -8.806 1.00 26.14 H new ATOM 0 HB2 LEU A 54 -2.703 10.030 -10.099 1.00 29.74 H new ATOM 0 HB3 LEU A 54 -4.063 10.629 -9.629 1.00 29.74 H new ATOM 0 HG LEU A 54 -2.252 9.527 -7.741 1.00 33.35 H new ATOM 0 HD11 LEU A 54 -1.516 11.716 -7.340 1.00 37.53 H new ATOM 0 HD12 LEU A 54 -1.207 11.329 -8.845 1.00 37.53 H new ATOM 0 HD13 LEU A 54 -2.450 12.250 -8.502 1.00 37.53 H new ATOM 0 HD21 LEU A 54 -3.534 10.756 -6.232 1.00 35.36 H new ATOM 0 HD22 LEU A 54 -4.418 11.307 -7.424 1.00 35.36 H new ATOM 0 HD23 LEU A 54 -4.475 9.772 -7.040 1.00 35.36 H new ATOM 234 N PHE A 55 -4.326 8.324 -11.983 1.00 26.53 N ANISOU 234 N PHE A 55 3243 3490 3348 57 -70 33 N ATOM 235 CA PHE A 55 -5.108 8.262 -13.219 1.00 25.96 C ANISOU 235 CA PHE A 55 3159 3456 3248 92 -53 14 C ATOM 236 C PHE A 55 -6.023 7.041 -13.246 1.00 26.37 C ANISOU 236 C PHE A 55 3208 3518 3295 115 -42 -40 C ATOM 237 O PHE A 55 -7.186 7.144 -13.667 1.00 25.66 O ANISOU 237 O PHE A 55 3126 3435 3187 132 -41 -60 O ATOM 238 CB PHE A 55 -4.172 8.283 -14.422 1.00 27.88 C ANISOU 238 CB PHE A 55 3366 3748 3480 102 -37 49 C ATOM 239 CG PHE A 55 -3.821 9.666 -14.877 1.00 29.46 C ANISOU 239 CG PHE A 55 3569 3950 3674 88 -49 100 C ATOM 240 CD1 PHE A 55 -4.794 10.508 -15.391 1.00 31.67 C ANISOU 240 CD1 PHE A 55 3869 4230 3935 99 -52 92 C ATOM 241 CD2 PHE A 55 -2.520 10.136 -14.772 1.00 35.22 C ANISOU 241 CD2 PHE A 55 4280 4685 4417 60 -61 160 C ATOM 242 CE1 PHE A 55 -4.478 11.785 -15.807 1.00 32.08 C ANISOU 242 CE1 PHE A 55 3927 4282 3980 86 -65 138 C ATOM 243 CE2 PHE A 55 -2.196 11.413 -15.196 1.00 32.82 C ANISOU 243 CE2 PHE A 55 3980 4383 4108 41 -79 211 C ATOM 244 CZ PHE A 55 -3.173 12.239 -15.702 1.00 31.09 C ANISOU 244 CZ PHE A 55 3786 4159 3869 55 -80 196 C ATOM 0 H PHE A 55 -3.481 8.197 -12.079 1.00 26.53 H new ATOM 0 HA PHE A 55 -5.683 9.042 -13.258 1.00 25.96 H new ATOM 0 HB2 PHE A 55 -3.357 7.807 -14.198 1.00 27.88 H new ATOM 0 HB3 PHE A 55 -4.588 7.804 -15.156 1.00 27.88 H new ATOM 0 HD1 PHE A 55 -5.672 10.208 -15.456 1.00 31.67 H new ATOM 0 HD2 PHE A 55 -1.860 9.588 -14.413 1.00 35.22 H new ATOM 0 HE1 PHE A 55 -5.138 12.339 -16.157 1.00 32.08 H new ATOM 0 HE2 PHE A 55 -1.318 11.713 -15.139 1.00 32.82 H new ATOM 0 HZ PHE A 55 -2.958 13.102 -15.974 1.00 31.09 H new ATOM 245 N TYR A 56 -5.521 5.878 -12.805 1.00 24.89 N ANISOU 245 N TYR A 56 3008 3330 3120 114 -36 -58 N ATOM 246 CA TYR A 56 -6.364 4.686 -12.732 1.00 25.22 C ANISOU 246 CA TYR A 56 3053 3374 3155 129 -33 -108 C ATOM 247 C TYR A 56 -7.525 4.886 -11.768 1.00 28.10 C ANISOU 247 C TYR A 56 3439 3707 3530 123 -49 -128 C ATOM 248 O TYR A 56 -8.643 4.443 -12.043 1.00 25.77 O ANISOU 248 O TYR A 56 3146 3423 3222 136 -52 -152 O ATOM 249 CB TYR A 56 -5.554 3.455 -12.320 1.00 26.49 C ANISOU 249 CB TYR A 56 3201 3535 3328 129 -25 -122 C ATOM 250 CG TYR A 56 -4.929 2.667 -13.457 1.00 31.37 C ANISOU 250 CG TYR A 56 3807 4191 3921 158 -3 -121 C ATOM 251 CD1 TYR A 56 -5.716 1.962 -14.361 1.00 32.09 C ANISOU 251 CD1 TYR A 56 3912 4300 3979 182 0 -155 C ATOM 252 CD2 TYR A 56 -3.538 2.590 -13.594 1.00 28.76 C ANISOU 252 CD2 TYR A 56 3454 3879 3597 162 16 -82 C ATOM 253 CE1 TYR A 56 -5.134 1.235 -15.405 1.00 38.13 C ANISOU 253 CE1 TYR A 56 4681 5093 4712 215 21 -156 C ATOM 254 CE2 TYR A 56 -2.953 1.863 -14.626 1.00 26.69 C ANISOU 254 CE2 TYR A 56 3185 3652 3305 201 43 -77 C ATOM 255 CZ TYR A 56 -3.752 1.191 -15.524 1.00 35.92 C ANISOU 255 CZ TYR A 56 4380 4831 4437 229 47 -117 C ATOM 256 OH TYR A 56 -3.166 0.482 -16.544 1.00 35.81 O ANISOU 256 OH TYR A 56 4374 4845 4386 273 75 -113 O ATOM 0 H TYR A 56 -4.708 5.764 -12.549 1.00 24.89 H new ATOM 0 HA TYR A 56 -6.722 4.538 -13.621 1.00 25.22 H new ATOM 0 HB2 TYR A 56 -4.848 3.739 -11.719 1.00 26.49 H new ATOM 0 HB3 TYR A 56 -6.133 2.861 -11.817 1.00 26.49 H new ATOM 0 HD1 TYR A 56 -6.641 1.974 -14.270 1.00 32.09 H new ATOM 0 HD2 TYR A 56 -2.994 3.033 -12.983 1.00 28.76 H new ATOM 0 HE1 TYR A 56 -5.670 0.784 -16.016 1.00 38.13 H new ATOM 0 HE2 TYR A 56 -2.027 1.831 -14.709 1.00 26.69 H new ATOM 0 HH TYR A 56 -2.476 0.884 -16.804 1.00 35.81 H new ATOM 257 N LEU A 57 -7.279 5.536 -10.628 1.00 24.83 N ANISOU 257 N LEU A 57 3044 3253 3138 102 -60 -113 N ATOM 258 CA LEU A 57 -8.349 5.767 -9.656 1.00 22.91 C ANISOU 258 CA LEU A 57 2827 2979 2900 106 -69 -126 C ATOM 259 C LEU A 57 -9.422 6.691 -10.222 1.00 23.74 C ANISOU 259 C LEU A 57 2944 3093 2982 127 -66 -114 C ATOM 260 O LEU A 57 -10.626 6.470 -10.019 1.00 26.78 O ANISOU 260 O LEU A 57 3332 3483 3362 145 -66 -126 O ATOM 261 CB LEU A 57 -7.754 6.348 -8.368 1.00 27.01 C ANISOU 261 CB LEU A 57 3376 3446 3439 82 -82 -110 C ATOM 262 CG LEU A 57 -8.761 6.660 -7.261 1.00 33.59 C ANISOU 262 CG LEU A 57 4247 4242 4275 94 -88 -119 C ATOM 263 CD1 LEU A 57 -9.547 5.427 -6.905 1.00 37.26 C ANISOU 263 CD1 LEU A 57 4689 4720 4748 107 -84 -154 C ATOM 264 CD2 LEU A 57 -8.022 7.195 -6.033 1.00 33.07 C ANISOU 264 CD2 LEU A 57 4223 4120 4223 67 -104 -103 C ATOM 0 H LEU A 57 -6.510 5.847 -10.401 1.00 24.83 H new ATOM 0 HA LEU A 57 -8.775 4.919 -9.456 1.00 22.91 H new ATOM 0 HB2 LEU A 57 -7.099 5.722 -8.021 1.00 27.01 H new ATOM 0 HB3 LEU A 57 -7.277 7.163 -8.589 1.00 27.01 H new ATOM 0 HG LEU A 57 -9.382 7.335 -7.577 1.00 33.59 H new ATOM 0 HD11 LEU A 57 -10.181 5.639 -6.202 1.00 37.26 H new ATOM 0 HD12 LEU A 57 -10.025 5.111 -7.687 1.00 37.26 H new ATOM 0 HD13 LEU A 57 -8.942 4.735 -6.595 1.00 37.26 H new ATOM 0 HD21 LEU A 57 -8.661 7.393 -5.331 1.00 33.07 H new ATOM 0 HD22 LEU A 57 -7.392 6.528 -5.718 1.00 33.07 H new ATOM 0 HD23 LEU A 57 -7.543 8.004 -6.271 1.00 33.07 H new ATOM 265 N GLY A 58 -9.012 7.739 -10.928 1.00 25.66 N ANISOU 265 N GLY A 58 3194 3343 3212 125 -64 -84 N ATOM 266 CA GLY A 58 -9.991 8.566 -11.608 1.00 20.76 C ANISOU 266 CA GLY A 58 2582 2738 2569 147 -59 -71 C ATOM 267 C GLY A 58 -10.780 7.787 -12.643 1.00 20.38 C ANISOU 267 C GLY A 58 2502 2737 2505 164 -52 -89 C ATOM 268 O GLY A 58 -11.998 7.938 -12.754 1.00 25.83 O ANISOU 268 O GLY A 58 3193 3438 3183 181 -50 -87 O ATOM 0 H GLY A 58 -8.192 7.982 -11.023 1.00 25.66 H new ATOM 0 HA2 GLY A 58 -10.601 8.944 -10.956 1.00 20.76 H new ATOM 0 HA3 GLY A 58 -9.541 9.309 -12.039 1.00 20.76 H new ATOM 269 N GLN A 59 -10.087 6.949 -13.421 1.00 25.52 N ANISOU 269 N GLN A 59 3129 3415 3151 159 -49 -102 N ATOM 270 CA GLN A 59 -10.756 6.079 -14.383 1.00 27.73 C ANISOU 270 CA GLN A 59 3394 3732 3410 170 -49 -123 C ATOM 271 C GLN A 59 -11.753 5.155 -13.699 1.00 28.19 C ANISOU 271 C GLN A 59 3452 3784 3476 169 -62 -146 C ATOM 272 O GLN A 59 -12.818 4.866 -14.244 1.00 26.90 O ANISOU 272 O GLN A 59 3281 3644 3295 174 -71 -147 O ATOM 273 CB GLN A 59 -9.707 5.274 -15.150 1.00 23.27 C ANISOU 273 CB GLN A 59 2819 3187 2836 172 -41 -133 C ATOM 274 CG GLN A 59 -10.252 4.319 -16.173 1.00 31.36 C ANISOU 274 CG GLN A 59 3844 4240 3831 183 -45 -156 C ATOM 275 CD GLN A 59 -9.156 3.898 -17.112 1.00 26.87 C ANISOU 275 CD GLN A 59 3275 3692 3243 199 -28 -155 C ATOM 276 OE1 GLN A 59 -8.555 4.745 -17.756 1.00 27.88 O ANISOU 276 OE1 GLN A 59 3393 3837 3365 207 -14 -125 O ATOM 277 NE2 GLN A 59 -8.857 2.604 -17.163 1.00 30.39 N ANISOU 277 NE2 GLN A 59 3733 4136 3678 206 -27 -183 N ATOM 0 H GLN A 59 -9.231 6.872 -13.404 1.00 25.52 H new ATOM 0 HA GLN A 59 -11.257 6.630 -15.005 1.00 27.73 H new ATOM 0 HB2 GLN A 59 -9.107 5.893 -15.595 1.00 23.27 H new ATOM 0 HB3 GLN A 59 -9.175 4.773 -14.512 1.00 23.27 H new ATOM 0 HG2 GLN A 59 -10.629 3.541 -15.733 1.00 31.36 H new ATOM 0 HG3 GLN A 59 -10.971 4.740 -16.670 1.00 31.36 H new ATOM 0 HE21 GLN A 59 -9.305 2.040 -16.693 1.00 30.39 H new ATOM 0 HE22 GLN A 59 -8.215 2.330 -17.666 1.00 30.39 H new ATOM 278 N TYR A 60 -11.399 4.641 -12.521 1.00 22.53 N ANISOU 278 N TYR A 60 2740 3037 2783 158 -66 -161 N ATOM 279 CA TYR A 60 -12.328 3.805 -11.770 1.00 24.46 C ANISOU 279 CA TYR A 60 2981 3275 3037 157 -79 -178 C ATOM 280 C TYR A 60 -13.595 4.584 -11.430 1.00 26.67 C ANISOU 280 C TYR A 60 3263 3556 3314 172 -79 -153 C ATOM 281 O TYR A 60 -14.710 4.101 -11.638 1.00 25.03 O ANISOU 281 O TYR A 60 3041 3373 3098 175 -91 -148 O ATOM 282 CB TYR A 60 -11.641 3.282 -10.502 1.00 24.92 C ANISOU 282 CB TYR A 60 3045 3299 3125 144 -81 -195 C ATOM 283 CG TYR A 60 -12.568 2.462 -9.629 1.00 28.74 C ANISOU 283 CG TYR A 60 3523 3776 3621 142 -94 -210 C ATOM 284 CD1 TYR A 60 -12.724 1.093 -9.843 1.00 26.10 C ANISOU 284 CD1 TYR A 60 3178 3454 3283 132 -110 -237 C ATOM 285 CD2 TYR A 60 -13.340 3.071 -8.634 1.00 28.06 C ANISOU 285 CD2 TYR A 60 3446 3671 3545 155 -93 -192 C ATOM 286 CE1 TYR A 60 -13.599 0.339 -9.049 1.00 25.64 C ANISOU 286 CE1 TYR A 60 3111 3393 3237 127 -127 -244 C ATOM 287 CE2 TYR A 60 -14.224 2.328 -7.842 1.00 24.38 C ANISOU 287 CE2 TYR A 60 2968 3205 3091 157 -104 -196 C ATOM 288 CZ TYR A 60 -14.340 0.965 -8.056 1.00 27.00 C ANISOU 288 CZ TYR A 60 3282 3553 3425 139 -124 -222 C ATOM 289 OH TYR A 60 -15.212 0.230 -7.280 1.00 29.60 O ANISOU 289 OH TYR A 60 3596 3884 3766 138 -139 -221 O ATOM 0 H TYR A 60 -10.635 4.763 -12.145 1.00 22.53 H new ATOM 0 HA TYR A 60 -12.588 3.046 -12.316 1.00 24.46 H new ATOM 0 HB2 TYR A 60 -10.877 2.740 -10.753 1.00 24.92 H new ATOM 0 HB3 TYR A 60 -11.301 4.033 -9.990 1.00 24.92 H new ATOM 0 HD1 TYR A 60 -12.242 0.676 -10.520 1.00 26.10 H new ATOM 0 HD2 TYR A 60 -13.265 3.988 -8.496 1.00 28.06 H new ATOM 0 HE1 TYR A 60 -13.683 -0.577 -9.187 1.00 25.64 H new ATOM 0 HE2 TYR A 60 -14.727 2.745 -7.180 1.00 24.38 H new ATOM 0 HH TYR A 60 -15.427 0.676 -6.601 1.00 29.60 H new ATOM 290 N ILE A 61 -13.439 5.811 -10.926 1.00 22.57 N ANISOU 290 N ILE A 61 2766 3012 2798 182 -67 -129 N ATOM 291 CA ILE A 61 -14.588 6.633 -10.548 1.00 26.73 C ANISOU 291 CA ILE A 61 3303 3536 3316 208 -60 -100 C ATOM 292 C ILE A 61 -15.469 6.947 -11.760 1.00 33.22 C ANISOU 292 C ILE A 61 4106 4403 4114 220 -58 -78 C ATOM 293 O ILE A 61 -16.701 6.937 -11.665 1.00 23.76 O ANISOU 293 O ILE A 61 2893 3226 2909 237 -58 -54 O ATOM 294 CB ILE A 61 -14.102 7.913 -9.836 1.00 24.41 C ANISOU 294 CB ILE A 61 3054 3197 3023 218 -50 -81 C ATOM 295 CG1 ILE A 61 -13.542 7.559 -8.454 1.00 24.10 C ANISOU 295 CG1 ILE A 61 3037 3112 3006 207 -56 -97 C ATOM 296 CG2 ILE A 61 -15.240 8.930 -9.668 1.00 26.98 C ANISOU 296 CG2 ILE A 61 3400 3521 3329 256 -35 -45 C ATOM 297 CD1 ILE A 61 -12.730 8.695 -7.829 1.00 26.53 C ANISOU 297 CD1 ILE A 61 3400 3369 3314 201 -57 -81 C ATOM 0 H ILE A 61 -12.675 6.184 -10.796 1.00 22.57 H new ATOM 0 HA ILE A 61 -15.142 6.135 -9.927 1.00 26.73 H new ATOM 0 HB ILE A 61 -13.410 8.312 -10.387 1.00 24.41 H new ATOM 0 HG12 ILE A 61 -14.276 7.329 -7.863 1.00 24.10 H new ATOM 0 HG13 ILE A 61 -12.981 6.771 -8.530 1.00 24.10 H new ATOM 0 HG21 ILE A 61 -14.904 9.721 -9.219 1.00 26.98 H new ATOM 0 HG22 ILE A 61 -15.585 9.176 -10.540 1.00 26.98 H new ATOM 0 HG23 ILE A 61 -15.951 8.536 -9.139 1.00 26.98 H new ATOM 0 HD11 ILE A 61 -12.401 8.418 -6.960 1.00 26.53 H new ATOM 0 HD12 ILE A 61 -11.979 8.911 -8.404 1.00 26.53 H new ATOM 0 HD13 ILE A 61 -13.294 9.478 -7.726 1.00 26.53 H new ATOM 298 N MET A 62 -14.857 7.223 -12.919 1.00 23.52 N ANISOU 298 N MET A 62 2873 3193 2872 211 -56 -80 N ATOM 299 CA MET A 62 -15.650 7.539 -14.102 1.00 27.47 C ANISOU 299 CA MET A 62 3355 3735 3348 219 -56 -59 C ATOM 300 C MET A 62 -16.327 6.301 -14.667 1.00 26.14 C ANISOU 300 C MET A 62 3163 3599 3171 205 -77 -71 C ATOM 301 O MET A 62 -17.521 6.333 -14.993 1.00 27.49 O ANISOU 301 O MET A 62 3315 3799 3329 210 -84 -43 O ATOM 302 CB MET A 62 -14.770 8.203 -15.160 1.00 28.32 C ANISOU 302 CB MET A 62 3467 3852 3442 216 -48 -56 C ATOM 303 CG MET A 62 -14.380 9.594 -14.758 1.00 30.96 C ANISOU 303 CG MET A 62 3828 4157 3778 227 -34 -32 C ATOM 304 SD MET A 62 -13.404 10.513 -15.941 1.00 29.47 S ANISOU 304 SD MET A 62 3639 3982 3576 221 -28 -17 S ATOM 305 CE MET A 62 -11.745 10.222 -15.313 1.00 28.76 C ANISOU 305 CE MET A 62 3558 3860 3509 196 -35 -28 C ATOM 0 H MET A 62 -14.005 7.232 -13.035 1.00 23.52 H new ATOM 0 HA MET A 62 -16.349 8.158 -13.839 1.00 27.47 H new ATOM 0 HB2 MET A 62 -13.972 7.670 -15.299 1.00 28.32 H new ATOM 0 HB3 MET A 62 -15.244 8.231 -16.006 1.00 28.32 H new ATOM 0 HG2 MET A 62 -15.189 10.096 -14.574 1.00 30.96 H new ATOM 0 HG3 MET A 62 -13.883 9.543 -13.927 1.00 30.96 H new ATOM 0 HE1 MET A 62 -11.101 10.677 -15.878 1.00 28.76 H new ATOM 0 HE2 MET A 62 -11.677 10.562 -14.407 1.00 28.76 H new ATOM 0 HE3 MET A 62 -11.560 9.270 -15.315 1.00 28.76 H new ATOM 306 N THR A 63 -15.591 5.194 -14.758 1.00 25.88 N ANISOU 306 N THR A 63 3132 3560 3141 186 -89 -107 N ATOM 307 CA THR A 63 -16.158 3.962 -15.286 1.00 29.45 C ANISOU 307 CA THR A 63 3576 4034 3579 168 -116 -122 C ATOM 308 C THR A 63 -17.324 3.489 -14.425 1.00 33.34 C ANISOU 308 C THR A 63 4052 4530 4084 164 -134 -105 C ATOM 309 O THR A 63 -18.322 2.971 -14.938 1.00 28.49 O ANISOU 309 O THR A 63 3425 3945 3455 150 -160 -87 O ATOM 310 CB THR A 63 -15.068 2.889 -15.359 1.00 32.10 C ANISOU 310 CB THR A 63 3929 4354 3915 157 -121 -163 C ATOM 311 OG1 THR A 63 -14.057 3.270 -16.313 1.00 40.14 O ANISOU 311 OG1 THR A 63 4956 5379 4916 167 -103 -168 O ATOM 312 CG2 THR A 63 -15.647 1.560 -15.752 1.00 37.07 C ANISOU 312 CG2 THR A 63 4565 4994 4526 138 -154 -181 C ATOM 0 H THR A 63 -14.766 5.138 -14.520 1.00 25.88 H new ATOM 0 HA THR A 63 -16.499 4.129 -16.178 1.00 29.45 H new ATOM 0 HB THR A 63 -14.670 2.808 -14.478 1.00 32.10 H new ATOM 0 HG1 THR A 63 -13.507 3.788 -15.946 1.00 40.14 H new ATOM 0 HG21 THR A 63 -14.940 0.898 -15.792 1.00 37.07 H new ATOM 0 HG22 THR A 63 -16.308 1.288 -15.096 1.00 37.07 H new ATOM 0 HG23 THR A 63 -16.068 1.635 -16.623 1.00 37.07 H new ATOM 313 N LYS A 64 -17.226 3.674 -13.112 1.00 26.98 N ANISOU 313 N LYS A 64 3071 3376 3806 -692 -202 -148 N ATOM 314 CA LYS A 64 -18.307 3.290 -12.219 1.00 25.71 C ANISOU 314 CA LYS A 64 2809 3262 3699 -597 -178 -3 C ATOM 315 C LYS A 64 -19.329 4.391 -11.997 1.00 24.49 C ANISOU 315 C LYS A 64 2650 3137 3520 -505 -161 98 C ATOM 316 O LYS A 64 -20.300 4.159 -11.282 1.00 28.98 O ANISOU 316 O LYS A 64 3135 3746 4131 -422 -141 226 O ATOM 317 CB LYS A 64 -17.732 2.862 -10.864 1.00 28.21 C ANISOU 317 CB LYS A 64 3105 3598 4015 -504 -118 -23 C ATOM 318 CG LYS A 64 -16.720 1.739 -10.954 1.00 33.41 C ANISOU 318 CG LYS A 64 3764 4231 4700 -583 -129 -118 C ATOM 319 CD LYS A 64 -17.407 0.439 -11.229 1.00 38.89 C ANISOU 319 CD LYS A 64 4359 4932 5485 -642 -168 -34 C ATOM 320 CE LYS A 64 -16.447 -0.726 -11.161 1.00 43.78 C ANISOU 320 CE LYS A 64 4972 5530 6132 -705 -173 -119 C ATOM 321 NZ LYS A 64 -17.193 -1.988 -11.409 1.00 46.11 N ANISOU 321 NZ LYS A 64 5168 5832 6518 -759 -212 -28 N ATOM 0 H LYS A 64 -16.542 4.020 -12.721 1.00 26.98 H new ATOM 0 HA LYS A 64 -18.769 2.554 -12.650 1.00 25.71 H new ATOM 0 HB2 LYS A 64 -17.314 3.629 -10.443 1.00 28.21 H new ATOM 0 HB3 LYS A 64 -18.460 2.584 -10.287 1.00 28.21 H new ATOM 0 HG2 LYS A 64 -16.080 1.928 -11.658 1.00 33.41 H new ATOM 0 HG3 LYS A 64 -16.221 1.679 -10.125 1.00 33.41 H new ATOM 0 HD2 LYS A 64 -18.121 0.308 -10.586 1.00 38.89 H new ATOM 0 HD3 LYS A 64 -17.818 0.469 -12.107 1.00 38.89 H new ATOM 0 HE2 LYS A 64 -15.743 -0.618 -11.820 1.00 43.78 H new ATOM 0 HE3 LYS A 64 -16.019 -0.756 -10.291 1.00 43.78 H new ATOM 0 HZ1 LYS A 64 -16.632 -2.678 -11.370 1.00 46.11 H new ATOM 0 HZ2 LYS A 64 -17.826 -2.086 -10.791 1.00 46.11 H new ATOM 0 HZ3 LYS A 64 -17.569 -1.957 -12.215 1.00 46.11 H new ATOM 322 N ARG A 65 -19.143 5.575 -12.589 1.00 30.08 N ANISOU 322 N ARG A 65 3445 3825 4160 -517 -168 46 N ATOM 323 CA ARG A 65 -20.081 6.693 -12.424 1.00 24.66 C ANISOU 323 CA ARG A 65 2763 3165 3444 -430 -151 136 C ATOM 324 C ARG A 65 -20.333 7.011 -10.945 1.00 25.97 C ANISOU 324 C ARG A 65 2900 3371 3594 -272 -82 198 C ATOM 325 O ARG A 65 -21.476 7.214 -10.516 1.00 30.12 O ANISOU 325 O ARG A 65 3363 3936 4145 -191 -68 332 O ATOM 326 CB ARG A 65 -21.409 6.383 -13.126 1.00 28.12 C ANISOU 326 CB ARG A 65 3121 3618 3944 -472 -200 266 C ATOM 327 CG ARG A 65 -21.405 6.575 -14.631 1.00 30.43 C ANISOU 327 CG ARG A 65 3456 3874 4231 -604 -265 223 C ATOM 328 CD ARG A 65 -22.840 6.634 -15.118 1.00 27.89 C ANISOU 328 CD ARG A 65 3065 3577 3956 -608 -300 366 C ATOM 329 NE ARG A 65 -22.948 6.118 -16.477 1.00 41.26 N ANISOU 329 NE ARG A 65 4754 5239 5684 -754 -372 349 N ATOM 330 CZ ARG A 65 -23.192 6.877 -17.538 1.00 38.64 C ANISOU 330 CZ ARG A 65 4472 4886 5323 -815 -410 337 C ATOM 331 NH1 ARG A 65 -23.362 8.182 -17.388 1.00 36.24 N ANISOU 331 NH1 ARG A 65 4225 4592 4955 -741 -383 341 N ATOM 332 NH2 ARG A 65 -23.260 6.326 -18.742 1.00 42.76 N ANISOU 332 NH2 ARG A 65 4987 5379 5879 -949 -475 319 N ATOM 0 H ARG A 65 -18.472 5.753 -13.096 1.00 30.08 H new ATOM 0 HA ARG A 65 -19.676 7.475 -12.832 1.00 24.66 H new ATOM 0 HB2 ARG A 65 -21.654 5.465 -12.932 1.00 28.12 H new ATOM 0 HB3 ARG A 65 -22.099 6.947 -12.744 1.00 28.12 H new ATOM 0 HG2 ARG A 65 -20.937 7.392 -14.864 1.00 30.43 H new ATOM 0 HG3 ARG A 65 -20.934 5.845 -15.062 1.00 30.43 H new ATOM 0 HD2 ARG A 65 -23.408 6.117 -14.525 1.00 27.89 H new ATOM 0 HD3 ARG A 65 -23.158 7.550 -15.089 1.00 27.89 H new ATOM 0 HE ARG A 65 -22.848 5.273 -16.598 1.00 41.26 H new ATOM 0 HH11 ARG A 65 -23.314 8.535 -16.605 1.00 36.24 H new ATOM 0 HH12 ARG A 65 -23.520 8.677 -18.074 1.00 36.24 H new ATOM 0 HH21 ARG A 65 -23.146 5.479 -18.834 1.00 42.76 H new ATOM 0 HH22 ARG A 65 -23.418 6.816 -19.431 1.00 42.76 H new ATOM 333 N LEU A 66 -19.253 7.049 -10.157 1.00 28.49 N ANISOU 333 N LEU A 66 3269 3684 3874 -228 -37 102 N ATOM 334 CA LEU A 66 -19.316 7.385 -8.738 1.00 29.74 C ANISOU 334 CA LEU A 66 3414 3877 4009 -81 31 142 C ATOM 335 C LEU A 66 -19.393 8.884 -8.491 1.00 27.19 C ANISOU 335 C LEU A 66 3169 3557 3604 6 64 136 C ATOM 336 O LEU A 66 -19.675 9.293 -7.360 1.00 32.44 O ANISOU 336 O LEU A 66 3821 4255 4250 138 119 190 O ATOM 337 CB LEU A 66 -18.104 6.775 -7.994 1.00 27.06 C ANISOU 337 CB LEU A 66 3094 3527 3660 -72 65 39 C ATOM 338 CG LEU A 66 -18.058 5.239 -7.947 1.00 27.35 C ANISOU 338 CG LEU A 66 3046 3566 3780 -131 45 57 C ATOM 339 CD1 LEU A 66 -16.731 4.669 -7.426 1.00 31.82 C ANISOU 339 CD1 LEU A 66 3645 4115 4331 -143 71 -63 C ATOM 340 CD2 LEU A 66 -19.173 4.766 -7.027 1.00 33.78 C ANISOU 340 CD2 LEU A 66 3752 4431 4653 -32 71 208 C ATOM 0 H LEU A 66 -18.458 6.878 -10.438 1.00 28.49 H new ATOM 0 HA LEU A 66 -20.137 7.003 -8.390 1.00 29.74 H new ATOM 0 HB2 LEU A 66 -17.291 7.094 -8.417 1.00 27.06 H new ATOM 0 HB3 LEU A 66 -18.101 7.111 -7.084 1.00 27.06 H new ATOM 0 HG LEU A 66 -18.159 4.923 -8.858 1.00 27.35 H new ATOM 0 HD11 LEU A 66 -16.773 3.700 -7.424 1.00 31.82 H new ATOM 0 HD12 LEU A 66 -16.006 4.959 -8.001 1.00 31.82 H new ATOM 0 HD13 LEU A 66 -16.574 4.987 -6.523 1.00 31.82 H new ATOM 0 HD21 LEU A 66 -19.165 3.797 -6.980 1.00 33.78 H new ATOM 0 HD22 LEU A 66 -19.038 5.133 -6.139 1.00 33.78 H new ATOM 0 HD23 LEU A 66 -20.028 5.066 -7.374 1.00 33.78 H new ATOM 341 N TYR A 67 -19.170 9.706 -9.516 1.00 26.95 N ANISOU 341 N TYR A 67 3219 3496 3526 -63 31 73 N ATOM 342 CA TYR A 67 -19.286 11.152 -9.382 1.00 25.65 C ANISOU 342 CA TYR A 67 3131 3333 3283 12 57 69 C ATOM 343 C TYR A 67 -20.750 11.586 -9.470 1.00 26.72 C ANISOU 343 C TYR A 67 3210 3501 3441 68 50 219 C ATOM 344 O TYR A 67 -21.579 10.935 -10.118 1.00 28.97 O ANISOU 344 O TYR A 67 3419 3794 3793 6 6 301 O ATOM 345 CB TYR A 67 -18.458 11.854 -10.468 1.00 24.19 C ANISOU 345 CB TYR A 67 3054 3100 3037 -87 24 -59 C ATOM 346 CG TYR A 67 -18.877 11.473 -11.862 1.00 25.84 C ANISOU 346 CG TYR A 67 3242 3289 3288 -219 -46 -45 C ATOM 347 CD1 TYR A 67 -18.249 10.425 -12.549 1.00 26.77 C ANISOU 347 CD1 TYR A 67 3347 3379 3446 -344 -87 -116 C ATOM 348 CD2 TYR A 67 -19.923 12.142 -12.494 1.00 27.29 C ANISOU 348 CD2 TYR A 67 3417 3481 3471 -219 -72 41 C ATOM 349 CE1 TYR A 67 -18.663 10.066 -13.828 1.00 30.00 C ANISOU 349 CE1 TYR A 67 3736 3768 3894 -465 -153 -101 C ATOM 350 CE2 TYR A 67 -20.336 11.790 -13.750 1.00 24.08 C ANISOU 350 CE2 TYR A 67 2989 3057 3103 -338 -136 57 C ATOM 351 CZ TYR A 67 -19.703 10.761 -14.419 1.00 33.84 C ANISOU 351 CZ TYR A 67 4214 4264 4378 -461 -177 -15 C ATOM 352 OH TYR A 67 -20.127 10.427 -15.682 1.00 37.98 O ANISOU 352 OH TYR A 67 4721 4770 4941 -580 -242 2 O ATOM 0 H TYR A 67 -18.949 9.440 -10.303 1.00 26.95 H new ATOM 0 HA TYR A 67 -18.942 11.408 -8.512 1.00 25.65 H new ATOM 0 HB2 TYR A 67 -18.541 12.815 -10.361 1.00 24.19 H new ATOM 0 HB3 TYR A 67 -17.521 11.635 -10.346 1.00 24.19 H new ATOM 0 HD1 TYR A 67 -17.548 9.965 -12.146 1.00 26.77 H new ATOM 0 HD2 TYR A 67 -20.349 12.842 -12.053 1.00 27.29 H new ATOM 0 HE1 TYR A 67 -18.246 9.368 -14.280 1.00 30.00 H new ATOM 0 HE2 TYR A 67 -21.042 12.243 -14.152 1.00 24.08 H new ATOM 0 HH TYR A 67 -20.761 10.930 -15.907 1.00 37.98 H new ATOM 353 N ASP A 68 -21.075 12.685 -8.786 1.00 25.72 N ANISOU 353 N ASP A 68 3119 3394 3259 189 95 257 N ATOM 354 CA ASP A 68 -22.416 13.249 -8.885 1.00 31.51 C ANISOU 354 CA ASP A 68 3811 4157 4003 248 91 393 C ATOM 355 C ASP A 68 -22.617 13.890 -10.255 1.00 35.00 C ANISOU 355 C ASP A 68 4304 4572 4423 151 38 369 C ATOM 356 O ASP A 68 -21.782 14.671 -10.706 1.00 30.90 O ANISOU 356 O ASP A 68 3889 4016 3834 114 33 255 O ATOM 357 CB ASP A 68 -22.637 14.275 -7.774 1.00 28.36 C ANISOU 357 CB ASP A 68 3445 3784 3545 404 156 432 C ATOM 358 CG ASP A 68 -23.977 14.948 -7.884 1.00 41.17 C ANISOU 358 CG ASP A 68 5032 5438 5171 469 154 567 C ATOM 359 OD1 ASP A 68 -24.979 14.271 -7.605 1.00 51.23 O ANISOU 359 OD1 ASP A 68 6199 6750 6514 500 152 696 O ATOM 360 OD2 ASP A 68 -24.030 16.148 -8.213 1.00 45.60 O ANISOU 360 OD2 ASP A 68 5672 5987 5665 492 157 547 O ATOM 0 H ASP A 68 -20.539 13.112 -8.266 1.00 25.72 H new ATOM 0 HA ASP A 68 -23.066 12.537 -8.781 1.00 31.51 H new ATOM 0 HB2 ASP A 68 -22.567 13.836 -6.912 1.00 28.36 H new ATOM 0 HB3 ASP A 68 -21.936 14.945 -7.810 1.00 28.36 H new ATOM 361 N GLU A 69 -23.748 13.601 -10.906 1.00 31.28 N ANISOU 361 N GLU A 69 3760 4117 4008 114 -3 481 N ATOM 362 CA GLU A 69 -23.897 14.051 -12.287 1.00 34.28 C ANISOU 362 CA GLU A 69 4182 4467 4374 7 -59 454 C ATOM 363 C GLU A 69 -24.047 15.565 -12.385 1.00 30.96 C ANISOU 363 C GLU A 69 3847 4043 3873 68 -41 446 C ATOM 364 O GLU A 69 -23.658 16.153 -13.402 1.00 31.94 O ANISOU 364 O GLU A 69 4048 4130 3956 -16 -76 368 O ATOM 365 CB GLU A 69 -25.051 13.319 -12.978 1.00 44.15 C ANISOU 365 CB GLU A 69 5331 5736 5707 -53 -110 574 C ATOM 366 CG GLU A 69 -26.407 13.393 -12.315 1.00 60.02 C ANISOU 366 CG GLU A 69 7252 7799 7752 56 -86 742 C ATOM 367 CD GLU A 69 -27.459 12.605 -13.096 1.00 77.48 C ANISOU 367 CD GLU A 69 9367 10026 10046 -21 -142 851 C ATOM 368 OE1 GLU A 69 -27.157 12.181 -14.233 1.00 82.27 O ANISOU 368 OE1 GLU A 69 9988 10597 10673 -158 -200 793 O ATOM 369 OE2 GLU A 69 -28.579 12.404 -12.576 1.00 83.03 O ANISOU 369 OE2 GLU A 69 9980 10775 10794 55 -129 996 O ATOM 0 H GLU A 69 -24.413 13.164 -10.581 1.00 31.28 H new ATOM 0 HA GLU A 69 -23.079 13.825 -12.757 1.00 34.28 H new ATOM 0 HB2 GLU A 69 -25.136 13.672 -13.878 1.00 44.15 H new ATOM 0 HB3 GLU A 69 -24.807 12.384 -13.062 1.00 44.15 H new ATOM 0 HG2 GLU A 69 -26.346 13.045 -11.412 1.00 60.02 H new ATOM 0 HG3 GLU A 69 -26.683 14.320 -12.244 1.00 60.02 H new ATOM 370 N LYS A 70 -24.563 16.219 -11.340 1.00 27.75 N ANISOU 370 N LYS A 70 3434 3671 3438 214 14 522 N ATOM 371 CA LYS A 70 -24.770 17.663 -11.384 1.00 30.97 C ANISOU 371 CA LYS A 70 3922 4077 3769 280 32 523 C ATOM 372 C LYS A 70 -23.550 18.447 -10.905 1.00 35.89 C ANISOU 372 C LYS A 70 4661 4672 4304 317 71 389 C ATOM 373 O LYS A 70 -23.152 19.430 -11.540 1.00 38.71 O ANISOU 373 O LYS A 70 5114 4998 4594 284 58 315 O ATOM 374 CB LYS A 70 -25.988 18.035 -10.533 1.00 39.42 C ANISOU 374 CB LYS A 70 4930 5198 4849 421 72 676 C ATOM 375 CG LYS A 70 -27.226 18.372 -11.329 1.00 51.43 C ANISOU 375 CG LYS A 70 6411 6737 6395 403 35 788 C ATOM 376 CD LYS A 70 -27.590 17.258 -12.294 1.00 55.14 C ANISOU 376 CD LYS A 70 6802 7201 6948 271 -29 820 C ATOM 0 H LYS A 70 -24.797 15.845 -10.602 1.00 27.75 H new ATOM 0 HA LYS A 70 -24.920 17.904 -12.312 1.00 30.97 H new ATOM 0 HB2 LYS A 70 -26.191 17.296 -9.938 1.00 39.42 H new ATOM 0 HB3 LYS A 70 -25.759 18.795 -9.975 1.00 39.42 H new ATOM 0 HG2 LYS A 70 -27.967 18.532 -10.724 1.00 51.43 H new ATOM 0 HG3 LYS A 70 -27.080 19.194 -11.823 1.00 51.43 H new ATOM 377 N GLN A 71 -22.953 18.044 -9.786 1.00 32.18 N ANISOU 377 N GLN A 71 4183 4213 3831 385 118 359 N ATOM 378 CA GLN A 71 -21.761 18.693 -9.234 1.00 31.66 C ANISOU 378 CA GLN A 71 4221 4122 3686 423 156 234 C ATOM 379 C GLN A 71 -20.664 17.645 -9.218 1.00 24.08 C ANISOU 379 C GLN A 71 3255 3140 2752 341 147 131 C ATOM 380 O GLN A 71 -20.512 16.911 -8.241 1.00 23.53 O ANISOU 380 O GLN A 71 3133 3093 2715 398 181 150 O ATOM 381 CB GLN A 71 -22.029 19.272 -7.834 1.00 34.84 C ANISOU 381 CB GLN A 71 4627 4558 4052 590 226 292 C ATOM 382 CG GLN A 71 -22.892 20.509 -7.876 1.00 43.12 C ANISOU 382 CG GLN A 71 5710 5621 5054 672 238 368 C ATOM 383 CD GLN A 71 -22.821 21.303 -6.586 1.00 45.81 C ANISOU 383 CD GLN A 71 6092 5979 5334 827 307 383 C ATOM 384 OE1 GLN A 71 -21.807 21.276 -5.885 1.00 46.82 O ANISOU 384 OE1 GLN A 71 6269 6094 5426 854 340 291 O ATOM 385 NE2 GLN A 71 -23.894 22.012 -6.267 1.00 50.98 N ANISOU 385 NE2 GLN A 71 6729 6664 5975 930 329 499 N ATOM 0 H GLN A 71 -23.231 17.378 -9.319 1.00 32.18 H new ATOM 0 HA GLN A 71 -21.496 19.451 -9.778 1.00 31.66 H new ATOM 0 HB2 GLN A 71 -22.461 18.598 -7.286 1.00 34.84 H new ATOM 0 HB3 GLN A 71 -21.184 19.485 -7.408 1.00 34.84 H new ATOM 0 HG2 GLN A 71 -22.612 21.071 -8.615 1.00 43.12 H new ATOM 0 HG3 GLN A 71 -23.812 20.254 -8.046 1.00 43.12 H new ATOM 0 HE21 GLN A 71 -24.583 22.005 -6.782 1.00 50.98 H new ATOM 0 HE22 GLN A 71 -23.902 22.479 -5.545 1.00 50.98 H new ATOM 386 N GLN A 72 -19.911 17.558 -10.311 1.00 24.41 N ANISOU 386 N GLN A 72 3351 3140 2783 208 100 22 N ATOM 387 CA GLN A 72 -19.111 16.374 -10.562 1.00 27.38 C ANISOU 387 CA GLN A 72 3701 3498 3204 108 77 -54 C ATOM 388 C GLN A 72 -17.845 16.310 -9.718 1.00 26.18 C ANISOU 388 C GLN A 72 3604 3334 3010 141 119 -166 C ATOM 389 O GLN A 72 -17.083 15.361 -9.876 1.00 27.08 O ANISOU 389 O GLN A 72 3702 3431 3155 62 104 -238 O ATOM 390 CB GLN A 72 -18.776 16.276 -12.062 1.00 28.73 C ANISOU 390 CB GLN A 72 3909 3629 3380 -48 11 -128 C ATOM 391 CG GLN A 72 -20.043 16.343 -12.958 1.00 25.90 C ANISOU 391 CG GLN A 72 3497 3281 3063 -86 -34 -17 C ATOM 392 CD GLN A 72 -19.957 15.524 -14.240 1.00 32.61 C ANISOU 392 CD GLN A 72 4323 4104 3964 -243 -102 -48 C ATOM 393 OE1 GLN A 72 -18.880 15.075 -14.638 1.00 26.91 O ANISOU 393 OE1 GLN A 72 3641 3349 3235 -333 -120 -168 O ATOM 394 NE2 GLN A 72 -21.104 15.345 -14.911 1.00 26.75 N ANISOU 394 NE2 GLN A 72 3516 3376 3272 -276 -142 60 N ATOM 0 H GLN A 72 -19.852 18.170 -10.912 1.00 24.41 H new ATOM 0 HA GLN A 72 -19.646 15.610 -10.297 1.00 27.38 H new ATOM 0 HB2 GLN A 72 -18.174 16.997 -12.304 1.00 28.73 H new ATOM 0 HB3 GLN A 72 -18.306 15.445 -12.232 1.00 28.73 H new ATOM 0 HG2 GLN A 72 -20.806 16.037 -12.443 1.00 25.90 H new ATOM 0 HG3 GLN A 72 -20.212 17.269 -13.191 1.00 25.90 H new ATOM 0 HE21 GLN A 72 -21.837 15.672 -14.604 1.00 26.75 H new ATOM 0 HE22 GLN A 72 -21.106 14.903 -15.649 1.00 26.75 H new ATOM 395 N HIS A 73 -17.588 17.284 -8.836 1.00 28.92 N ANISOU 395 N HIS A 73 4014 3688 3286 253 171 -184 N ATOM 396 CA HIS A 73 -16.479 17.108 -7.902 1.00 27.86 C ANISOU 396 CA HIS A 73 3916 3548 3121 294 215 -274 C ATOM 397 C HIS A 73 -16.863 16.260 -6.692 1.00 32.93 C ANISOU 397 C HIS A 73 4465 4231 3817 387 256 -190 C ATOM 398 O HIS A 73 -15.983 15.907 -5.896 1.00 32.65 O ANISOU 398 O HIS A 73 4444 4193 3769 416 290 -257 O ATOM 399 CB HIS A 73 -15.939 18.465 -7.443 1.00 28.96 C ANISOU 399 CB HIS A 73 4168 3676 3160 370 252 -337 C ATOM 400 CG HIS A 73 -16.925 19.264 -6.652 1.00 35.87 C ANISOU 400 CG HIS A 73 5031 4584 4013 512 293 -224 C ATOM 401 ND1 HIS A 73 -16.991 19.208 -5.277 1.00 44.87 N ANISOU 401 ND1 HIS A 73 6146 5754 5148 642 352 -181 N ATOM 402 CD2 HIS A 73 -17.904 20.113 -7.042 1.00 34.57 C ANISOU 402 CD2 HIS A 73 4874 4428 3831 546 283 -143 C ATOM 403 CE1 HIS A 73 -17.961 19.996 -4.852 1.00 42.94 C ANISOU 403 CE1 HIS A 73 5896 5535 4884 750 378 -78 C ATOM 404 NE2 HIS A 73 -18.533 20.555 -5.903 1.00 41.53 N ANISOU 404 NE2 HIS A 73 5737 5345 4698 695 337 -52 N ATOM 0 H HIS A 73 -18.024 18.022 -8.765 1.00 28.92 H new ATOM 0 HA HIS A 73 -15.783 16.631 -8.381 1.00 27.86 H new ATOM 0 HB2 HIS A 73 -15.144 18.324 -6.906 1.00 28.96 H new ATOM 0 HB3 HIS A 73 -15.669 18.977 -8.221 1.00 28.96 H new ATOM 0 HD2 HIS A 73 -18.112 20.352 -7.916 1.00 34.57 H new ATOM 0 HE1 HIS A 73 -18.201 20.134 -3.964 1.00 42.94 H new ATOM 0 HE2 HIS A 73 -19.192 21.106 -5.879 1.00 41.53 H new ATOM 405 N ILE A 74 -18.139 15.915 -6.547 1.00 27.42 N ANISOU 405 N ILE A 74 3670 3568 3179 432 253 -46 N ATOM 406 CA ILE A 74 -18.619 15.099 -5.437 1.00 32.56 C ANISOU 406 CA ILE A 74 4225 4259 3886 521 289 46 C ATOM 407 C ILE A 74 -18.546 13.635 -5.849 1.00 31.36 C ANISOU 407 C ILE A 74 3990 4105 3820 420 252 48 C ATOM 408 O ILE A 74 -19.018 13.260 -6.928 1.00 28.32 O ANISOU 408 O ILE A 74 3572 3711 3479 319 197 75 O ATOM 409 CB ILE A 74 -20.061 15.479 -5.055 1.00 31.65 C ANISOU 409 CB ILE A 74 4047 4186 3791 624 306 206 C ATOM 410 CG1 ILE A 74 -20.158 16.956 -4.671 1.00 29.49 C ANISOU 410 CG1 ILE A 74 3860 3914 3430 725 342 205 C ATOM 411 CG2 ILE A 74 -20.603 14.552 -3.937 1.00 29.03 C ANISOU 411 CG2 ILE A 74 3608 3899 3524 711 341 307 C ATOM 412 CD1 ILE A 74 -21.577 17.490 -4.659 1.00 34.21 C ANISOU 412 CD1 ILE A 74 4411 4545 4041 801 345 352 C ATOM 0 H ILE A 74 -18.757 16.151 -7.097 1.00 27.42 H new ATOM 0 HA ILE A 74 -18.062 15.253 -4.658 1.00 32.56 H new ATOM 0 HB ILE A 74 -20.624 15.349 -5.834 1.00 31.65 H new ATOM 0 HG12 ILE A 74 -19.767 17.080 -3.792 1.00 29.49 H new ATOM 0 HG13 ILE A 74 -19.629 17.479 -5.293 1.00 29.49 H new ATOM 0 HG21 ILE A 74 -21.511 14.810 -3.714 1.00 29.03 H new ATOM 0 HG22 ILE A 74 -20.596 13.633 -4.247 1.00 29.03 H new ATOM 0 HG23 ILE A 74 -20.042 14.632 -3.150 1.00 29.03 H new ATOM 0 HD11 ILE A 74 -21.568 18.427 -4.409 1.00 34.21 H new ATOM 0 HD12 ILE A 74 -21.966 17.395 -5.542 1.00 34.21 H new ATOM 0 HD13 ILE A 74 -22.106 16.990 -4.018 1.00 34.21 H new ATOM 413 N VAL A 75 -17.954 12.805 -4.995 1.00 26.19 N ANISOU 413 N VAL A 75 3303 3459 3189 446 282 18 N ATOM 414 CA VAL A 75 -17.905 11.365 -5.204 1.00 29.59 C ANISOU 414 CA VAL A 75 3649 3891 3702 367 254 28 C ATOM 415 C VAL A 75 -18.643 10.700 -4.051 1.00 31.72 C ANISOU 415 C VAL A 75 3818 4208 4028 473 293 147 C ATOM 416 O VAL A 75 -18.259 10.870 -2.887 1.00 33.13 O ANISOU 416 O VAL A 75 4010 4402 4177 576 349 134 O ATOM 417 CB VAL A 75 -16.463 10.849 -5.300 1.00 30.69 C ANISOU 417 CB VAL A 75 3839 3996 3825 290 251 -121 C ATOM 418 CG1 VAL A 75 -16.449 9.326 -5.482 1.00 28.00 C ANISOU 418 CG1 VAL A 75 3410 3657 3571 212 223 -106 C ATOM 419 CG2 VAL A 75 -15.721 11.535 -6.449 1.00 34.75 C ANISOU 419 CG2 VAL A 75 4456 4465 4282 185 213 -239 C ATOM 0 H VAL A 75 -17.567 13.066 -4.273 1.00 26.19 H new ATOM 0 HA VAL A 75 -18.329 11.148 -6.049 1.00 29.59 H new ATOM 0 HB VAL A 75 -16.006 11.063 -4.472 1.00 30.69 H new ATOM 0 HG11 VAL A 75 -15.532 9.015 -5.541 1.00 28.00 H new ATOM 0 HG12 VAL A 75 -16.884 8.905 -4.724 1.00 28.00 H new ATOM 0 HG13 VAL A 75 -16.922 9.093 -6.296 1.00 28.00 H new ATOM 0 HG21 VAL A 75 -14.813 11.198 -6.495 1.00 34.75 H new ATOM 0 HG22 VAL A 75 -16.177 11.350 -7.285 1.00 34.75 H new ATOM 0 HG23 VAL A 75 -15.702 12.493 -6.296 1.00 34.75 H new ATOM 420 N TYR A 76 -19.695 9.947 -4.367 1.00 29.22 N ANISOU 420 N TYR A 76 3399 3914 3790 447 262 263 N ATOM 421 CA TYR A 76 -20.426 9.154 -3.382 1.00 32.06 C ANISOU 421 CA TYR A 76 3651 4318 4213 531 291 380 C ATOM 422 C TYR A 76 -20.054 7.689 -3.563 1.00 33.40 C ANISOU 422 C TYR A 76 3756 4479 4455 440 264 355 C ATOM 423 O TYR A 76 -20.311 7.098 -4.620 1.00 32.01 O ANISOU 423 O TYR A 76 3550 4287 4327 324 206 364 O ATOM 424 CB TYR A 76 -21.939 9.332 -3.514 1.00 35.88 C ANISOU 424 CB TYR A 76 4060 4838 4736 575 279 540 C ATOM 425 CG TYR A 76 -22.698 8.596 -2.425 1.00 42.29 C ANISOU 425 CG TYR A 76 4762 5698 5608 672 313 663 C ATOM 426 CD1 TYR A 76 -22.917 9.183 -1.183 1.00 42.92 C ANISOU 426 CD1 TYR A 76 4845 5810 5653 824 378 712 C ATOM 427 CD2 TYR A 76 -23.164 7.303 -2.627 1.00 45.31 C ANISOU 427 CD2 TYR A 76 5042 6093 6080 612 281 728 C ATOM 428 CE1 TYR A 76 -23.596 8.507 -0.183 1.00 40.01 C ANISOU 428 CE1 TYR A 76 4377 5487 5340 913 410 825 C ATOM 429 CE2 TYR A 76 -23.847 6.625 -1.642 1.00 45.11 C ANISOU 429 CE2 TYR A 76 4917 6112 6110 698 312 841 C ATOM 430 CZ TYR A 76 -24.063 7.232 -0.423 1.00 44.24 C ANISOU 430 CZ TYR A 76 4809 6035 5965 849 376 889 C ATOM 431 OH TYR A 76 -24.740 6.548 0.556 1.00 48.97 O ANISOU 431 OH TYR A 76 5309 6679 6620 935 406 1002 O ATOM 0 H TYR A 76 -20.007 9.882 -5.166 1.00 29.22 H new ATOM 0 HA TYR A 76 -20.179 9.460 -2.495 1.00 32.06 H new ATOM 0 HB2 TYR A 76 -22.157 10.276 -3.476 1.00 35.88 H new ATOM 0 HB3 TYR A 76 -22.227 9.009 -4.382 1.00 35.88 H new ATOM 0 HD1 TYR A 76 -22.602 10.043 -1.022 1.00 42.92 H new ATOM 0 HD2 TYR A 76 -23.012 6.887 -3.444 1.00 45.31 H new ATOM 0 HE1 TYR A 76 -23.736 8.910 0.644 1.00 40.01 H new ATOM 0 HE2 TYR A 76 -24.160 5.763 -1.798 1.00 45.11 H new ATOM 0 HH TYR A 76 -24.962 5.791 0.267 1.00 48.97 H new ATOM 432 N CYS A 77 -19.468 7.099 -2.529 1.00 33.70 N ANISOU 432 N CYS A 77 3775 4529 4502 495 306 327 N ATOM 433 CA CYS A 77 -18.823 5.799 -2.668 1.00 39.93 C ANISOU 433 CA CYS A 77 4526 5302 5344 408 285 272 C ATOM 434 C CYS A 77 -19.237 4.845 -1.557 1.00 37.18 C ANISOU 434 C CYS A 77 4077 4993 5057 486 318 360 C ATOM 435 O CYS A 77 -18.565 3.836 -1.349 1.00 28.90 O ANISOU 435 O CYS A 77 3004 3935 4042 443 318 307 O ATOM 436 CB CYS A 77 -17.293 5.944 -2.707 1.00 39.66 C ANISOU 436 CB CYS A 77 4588 5230 5252 363 296 104 C ATOM 437 SG CYS A 77 -16.512 6.946 -1.404 1.00 38.19 S ANISOU 437 SG CYS A 77 4482 5051 4977 500 372 41 S ATOM 0 H CYS A 77 -19.432 7.434 -1.738 1.00 33.70 H new ATOM 0 HA CYS A 77 -19.119 5.421 -3.511 1.00 39.93 H new ATOM 0 HB2 CYS A 77 -16.907 5.055 -2.673 1.00 39.66 H new ATOM 0 HB3 CYS A 77 -17.050 6.326 -3.565 1.00 39.66 H new ATOM 0 HG CYS A 77 -15.695 7.675 -1.895 1.00 38.19 H new ATOM 438 N SER A 78 -20.374 5.107 -0.899 1.00 32.95 N ANISOU 438 N SER A 78 3478 4500 4540 594 344 498 N ATOM 439 CA SER A 78 -20.706 4.412 0.345 1.00 38.68 C ANISOU 439 CA SER A 78 4120 5266 5310 693 388 578 C ATOM 440 C SER A 78 -20.885 2.908 0.159 1.00 42.32 C ANISOU 440 C SER A 78 4485 5731 5862 617 356 614 C ATOM 441 O SER A 78 -20.456 2.120 1.011 1.00 53.93 O ANISOU 441 O SER A 78 5920 7214 7359 651 385 601 O ATOM 442 CB SER A 78 -21.961 5.022 0.963 1.00 50.04 C ANISOU 442 CB SER A 78 5510 6751 6751 817 418 724 C ATOM 443 OG SER A 78 -21.997 4.801 2.364 1.00 59.40 O ANISOU 443 OG SER A 78 6655 7972 7943 943 478 769 O ATOM 0 H SER A 78 -20.961 5.680 -1.157 1.00 32.95 H new ATOM 0 HA SER A 78 -19.953 4.529 0.945 1.00 38.68 H new ATOM 0 HB2 SER A 78 -21.985 5.975 0.782 1.00 50.04 H new ATOM 0 HB3 SER A 78 -22.749 4.635 0.551 1.00 50.04 H new ATOM 0 HG SER A 78 -22.693 5.145 2.684 1.00 59.40 H new ATOM 444 N ASN A 79 -21.531 2.482 -0.920 1.00 37.51 N ANISOU 444 N ASN A 79 3835 5115 5304 516 295 663 N ATOM 445 CA ASN A 79 -21.724 1.046 -1.090 1.00 43.22 C ANISOU 445 CA ASN A 79 4468 5841 6113 444 262 700 C ATOM 446 C ASN A 79 -20.803 0.536 -2.185 1.00 43.80 C ANISOU 446 C ASN A 79 4591 5864 6189 292 212 576 C ATOM 447 O ASN A 79 -21.225 -0.198 -3.085 1.00 45.70 O ANISOU 447 O ASN A 79 4785 6093 6487 188 155 609 O ATOM 448 CB ASN A 79 -23.184 0.722 -1.408 1.00 52.88 C ANISOU 448 CB ASN A 79 5593 7096 7403 441 230 859 C ATOM 449 CG ASN A 79 -23.547 -0.717 -1.077 1.00 59.05 C ANISOU 449 CG ASN A 79 6266 7897 8274 420 218 930 C ATOM 450 OD1 ASN A 79 -22.776 -1.438 -0.439 1.00 60.35 O ANISOU 450 OD1 ASN A 79 6424 8057 8451 428 242 871 O ATOM 451 ND2 ASN A 79 -24.731 -1.140 -1.506 1.00 59.54 N ANISOU 451 ND2 ASN A 79 6242 7982 8400 393 180 1058 N ATOM 0 H ASN A 79 -21.853 2.982 -1.541 1.00 37.51 H new ATOM 0 HA ASN A 79 -21.503 0.599 -0.258 1.00 43.22 H new ATOM 0 HB2 ASN A 79 -23.761 1.321 -0.909 1.00 52.88 H new ATOM 0 HB3 ASN A 79 -23.351 0.886 -2.349 1.00 52.88 H new ATOM 0 HD21 ASN A 79 -24.986 -1.945 -1.341 1.00 59.54 H new ATOM 0 HD22 ASN A 79 -25.243 -0.609 -1.948 1.00 59.54 H new ATOM 452 N ASP A 80 -19.538 0.931 -2.116 1.00 29.39 N ANISOU 452 N ASP A 80 2860 4008 4300 280 232 434 N ATOM 453 CA ASP A 80 -18.570 0.583 -3.141 1.00 32.54 C ANISOU 453 CA ASP A 80 3316 4358 4690 142 188 306 C ATOM 454 C ASP A 80 -17.239 0.259 -2.492 1.00 31.98 C ANISOU 454 C ASP A 80 3290 4271 4589 153 224 184 C ATOM 455 O ASP A 80 -16.932 0.717 -1.390 1.00 33.91 O ANISOU 455 O ASP A 80 3554 4534 4795 265 283 174 O ATOM 456 CB ASP A 80 -18.392 1.713 -4.157 1.00 31.84 C ANISOU 456 CB ASP A 80 3321 4238 4537 89 161 243 C ATOM 457 CG ASP A 80 -17.668 1.256 -5.399 1.00 35.90 C ANISOU 457 CG ASP A 80 3878 4705 5056 -65 104 138 C ATOM 458 OD1 ASP A 80 -18.339 0.728 -6.311 1.00 35.77 O ANISOU 458 OD1 ASP A 80 3815 4683 5094 -153 49 194 O ATOM 459 OD2 ASP A 80 -16.431 1.414 -5.460 1.00 32.07 O ANISOU 459 OD2 ASP A 80 3472 4190 4521 -98 115 2 O ATOM 0 H ASP A 80 -19.219 1.407 -1.475 1.00 29.39 H new ATOM 0 HA ASP A 80 -18.903 -0.193 -3.618 1.00 32.54 H new ATOM 0 HB2 ASP A 80 -19.262 2.064 -4.403 1.00 31.84 H new ATOM 0 HB3 ASP A 80 -17.898 2.440 -3.746 1.00 31.84 H new ATOM 460 N LEU A 81 -16.451 -0.541 -3.209 1.00 36.32 N ANISOU 460 N LEU A 81 4955 3326 5518 767 71 62 N ATOM 461 CA LEU A 81 -15.079 -0.829 -2.810 1.00 34.27 C ANISOU 461 CA LEU A 81 4648 3225 5147 906 14 16 C ATOM 462 C LEU A 81 -14.297 0.440 -2.486 1.00 34.56 C ANISOU 462 C LEU A 81 4596 3493 5043 856 19 -44 C ATOM 463 O LEU A 81 -13.477 0.455 -1.558 1.00 38.12 O ANISOU 463 O LEU A 81 5033 4065 5386 947 -1 -26 O ATOM 464 CB LEU A 81 -14.405 -1.582 -3.956 1.00 38.66 C ANISOU 464 CB LEU A 81 5164 3785 5741 984 -46 -89 C ATOM 465 CG LEU A 81 -13.144 -2.414 -3.840 1.00 54.24 C ANISOU 465 CG LEU A 81 7112 5846 7652 1156 -117 -134 C ATOM 466 CD1 LEU A 81 -13.531 -3.826 -3.455 1.00 58.10 C ANISOU 466 CD1 LEU A 81 7700 6151 8226 1274 -133 -42 C ATOM 467 CD2 LEU A 81 -12.426 -2.391 -5.185 1.00 58.50 C ANISOU 467 CD2 LEU A 81 7565 6468 8195 1158 -161 -279 C ATOM 0 H LEU A 81 -16.697 -0.929 -3.936 1.00 36.32 H new ATOM 0 HA LEU A 81 -15.091 -1.364 -2.001 1.00 34.27 H new ATOM 0 HB2 LEU A 81 -15.082 -2.177 -4.316 1.00 38.66 H new ATOM 0 HB3 LEU A 81 -14.221 -0.917 -4.637 1.00 38.66 H new ATOM 0 HG LEU A 81 -12.549 -2.059 -3.161 1.00 54.24 H new ATOM 0 HD11 LEU A 81 -12.732 -4.371 -3.377 1.00 58.10 H new ATOM 0 HD12 LEU A 81 -13.998 -3.813 -2.605 1.00 58.10 H new ATOM 0 HD13 LEU A 81 -14.112 -4.200 -4.136 1.00 58.10 H new ATOM 0 HD21 LEU A 81 -11.615 -2.920 -5.128 1.00 58.50 H new ATOM 0 HD22 LEU A 81 -13.006 -2.762 -5.868 1.00 58.50 H new ATOM 0 HD23 LEU A 81 -12.200 -1.476 -5.416 1.00 58.50 H new ATOM 468 N LEU A 82 -14.539 1.520 -3.239 1.00 28.51 N ANISOU 468 N LEU A 82 3766 2791 4275 711 47 -116 N ATOM 469 CA LEU A 82 -13.828 2.778 -3.000 1.00 30.13 C ANISOU 469 CA LEU A 82 3883 3214 4349 653 54 -178 C ATOM 470 C LEU A 82 -14.130 3.348 -1.618 1.00 30.95 C ANISOU 470 C LEU A 82 4024 3350 4385 628 98 -73 C ATOM 471 O LEU A 82 -13.255 3.948 -0.980 1.00 32.26 O ANISOU 471 O LEU A 82 4137 3697 4423 657 86 -97 O ATOM 472 CB LEU A 82 -14.185 3.791 -4.086 1.00 29.37 C ANISOU 472 CB LEU A 82 3723 3157 4279 494 81 -265 C ATOM 473 CG LEU A 82 -13.502 5.155 -3.976 1.00 30.96 C ANISOU 473 CG LEU A 82 3829 3583 4353 419 90 -337 C ATOM 474 CD1 LEU A 82 -12.000 4.991 -3.980 1.00 39.73 C ANISOU 474 CD1 LEU A 82 4865 4876 5353 541 27 -425 C ATOM 475 CD2 LEU A 82 -13.942 6.066 -5.119 1.00 31.96 C ANISOU 475 CD2 LEU A 82 3900 3726 4519 261 116 -420 C ATOM 0 H LEU A 82 -15.105 1.543 -3.886 1.00 28.51 H new ATOM 0 HA LEU A 82 -12.876 2.593 -3.033 1.00 30.13 H new ATOM 0 HB2 LEU A 82 -13.964 3.406 -4.949 1.00 29.37 H new ATOM 0 HB3 LEU A 82 -15.145 3.927 -4.074 1.00 29.37 H new ATOM 0 HG LEU A 82 -13.766 5.566 -3.138 1.00 30.96 H new ATOM 0 HD11 LEU A 82 -11.579 5.862 -3.910 1.00 39.73 H new ATOM 0 HD12 LEU A 82 -11.732 4.441 -3.227 1.00 39.73 H new ATOM 0 HD13 LEU A 82 -11.723 4.564 -4.806 1.00 39.73 H new ATOM 0 HD21 LEU A 82 -13.501 6.926 -5.036 1.00 31.96 H new ATOM 0 HD22 LEU A 82 -13.702 5.661 -5.967 1.00 31.96 H new ATOM 0 HD23 LEU A 82 -14.903 6.191 -5.082 1.00 31.96 H new ATOM 476 N GLY A 83 -15.371 3.199 -1.153 1.00 25.94 N ANISOU 476 N GLY A 83 3480 2542 3835 569 149 41 N ATOM 477 CA GLY A 83 -15.712 3.639 0.191 1.00 27.96 C ANISOU 477 CA GLY A 83 3779 2811 4034 552 190 149 C ATOM 478 C GLY A 83 -14.987 2.872 1.283 1.00 32.85 C ANISOU 478 C GLY A 83 4432 3464 4584 715 156 207 C ATOM 479 O GLY A 83 -14.589 3.454 2.297 1.00 31.11 O ANISOU 479 O GLY A 83 4199 3365 4257 726 167 241 O ATOM 0 H GLY A 83 -16.020 2.850 -1.596 1.00 25.94 H new ATOM 0 HA2 GLY A 83 -15.505 4.583 0.277 1.00 27.96 H new ATOM 0 HA3 GLY A 83 -16.669 3.546 0.321 1.00 27.96 H new ATOM 480 N ASP A 84 -14.826 1.555 1.107 1.00 31.11 N ANISOU 480 N ASP A 84 4259 3134 4426 843 114 222 N ATOM 481 CA ASP A 84 -14.020 0.776 2.048 1.00 37.66 C ANISOU 481 CA ASP A 84 5115 4006 5189 1007 73 265 C ATOM 482 C ASP A 84 -12.585 1.261 2.065 1.00 40.00 C ANISOU 482 C ASP A 84 5311 4540 5347 1066 27 163 C ATOM 483 O ASP A 84 -11.961 1.360 3.127 1.00 40.75 O ANISOU 483 O ASP A 84 5405 4739 5339 1141 17 201 O ATOM 484 CB ASP A 84 -14.041 -0.708 1.684 1.00 42.98 C ANISOU 484 CB ASP A 84 5847 4529 5956 1131 32 282 C ATOM 485 CG ASP A 84 -15.438 -1.278 1.628 1.00 55.78 C ANISOU 485 CG ASP A 84 7567 5908 7718 1081 73 379 C ATOM 486 OD1 ASP A 84 -16.331 -0.749 2.326 1.00 59.71 O ANISOU 486 OD1 ASP A 84 8113 6347 8227 993 132 471 O ATOM 487 OD2 ASP A 84 -15.633 -2.269 0.890 1.00 55.83 O ANISOU 487 OD2 ASP A 84 7604 5783 7824 1133 47 365 O ATOM 0 H ASP A 84 -15.169 1.103 0.461 1.00 31.11 H new ATOM 0 HA ASP A 84 -14.408 0.896 2.929 1.00 37.66 H new ATOM 0 HB2 ASP A 84 -13.611 -0.832 0.823 1.00 42.98 H new ATOM 0 HB3 ASP A 84 -13.520 -1.204 2.335 1.00 42.98 H new ATOM 488 N LEU A 85 -12.035 1.519 0.881 1.00 37.11 N ANISOU 488 N LEU A 85 4862 4258 4979 1039 -3 35 N ATOM 489 CA LEU A 85 -10.675 2.020 0.763 1.00 35.89 C ANISOU 489 CA LEU A 85 4607 4332 4699 1086 -46 -73 C ATOM 490 C LEU A 85 -10.517 3.348 1.490 1.00 42.74 C ANISOU 490 C LEU A 85 5428 5357 5454 1000 -10 -67 C ATOM 491 O LEU A 85 -9.525 3.560 2.198 1.00 46.14 O ANISOU 491 O LEU A 85 5820 5948 5764 1077 -36 -83 O ATOM 492 CB LEU A 85 -10.319 2.134 -0.720 1.00 26.95 C ANISOU 492 CB LEU A 85 3397 3240 3600 1047 -75 -208 C ATOM 493 CG LEU A 85 -8.864 2.189 -1.145 1.00 36.55 C ANISOU 493 CG LEU A 85 4517 4650 4720 1131 -136 -331 C ATOM 494 CD1 LEU A 85 -8.208 0.849 -0.875 1.00 39.21 C ANISOU 494 CD1 LEU A 85 4890 4946 5061 1313 -195 -314 C ATOM 495 CD2 LEU A 85 -8.832 2.526 -2.624 1.00 36.25 C ANISOU 495 CD2 LEU A 85 4411 4632 4729 1048 -146 -452 C ATOM 0 H LEU A 85 -12.439 1.408 0.130 1.00 37.11 H new ATOM 0 HA LEU A 85 -10.060 1.401 1.185 1.00 35.89 H new ATOM 0 HB2 LEU A 85 -10.724 1.378 -1.174 1.00 26.95 H new ATOM 0 HB3 LEU A 85 -10.750 2.934 -1.060 1.00 26.95 H new ATOM 0 HG LEU A 85 -8.376 2.863 -0.646 1.00 36.55 H new ATOM 0 HD11 LEU A 85 -7.277 0.883 -1.147 1.00 39.21 H new ATOM 0 HD12 LEU A 85 -8.261 0.648 0.072 1.00 39.21 H new ATOM 0 HD13 LEU A 85 -8.666 0.157 -1.378 1.00 39.21 H new ATOM 0 HD21 LEU A 85 -7.911 2.569 -2.927 1.00 36.25 H new ATOM 0 HD22 LEU A 85 -9.304 1.841 -3.122 1.00 36.25 H new ATOM 0 HD23 LEU A 85 -9.260 3.384 -2.770 1.00 36.25 H new ATOM 496 N PHE A 86 -11.476 4.261 1.317 1.00 33.54 N ANISOU 496 N PHE A 86 4266 4152 4325 839 50 -46 N ATOM 497 CA PHE A 86 -11.373 5.575 1.934 1.00 39.29 C ANISOU 497 CA PHE A 86 4949 5028 4951 747 87 -45 C ATOM 498 C PHE A 86 -11.965 5.625 3.336 1.00 43.72 C ANISOU 498 C PHE A 86 5588 5532 5492 750 129 94 C ATOM 499 O PHE A 86 -11.663 6.557 4.085 1.00 54.04 O ANISOU 499 O PHE A 86 6860 6978 6694 713 149 104 O ATOM 500 CB PHE A 86 -12.050 6.643 1.068 1.00 42.44 C ANISOU 500 CB PHE A 86 5304 5431 5389 567 131 -97 C ATOM 501 CG PHE A 86 -11.217 7.085 -0.089 1.00 55.13 C ANISOU 501 CG PHE A 86 6807 7179 6962 543 95 -246 C ATOM 502 CD1 PHE A 86 -10.077 6.376 -0.447 1.00 63.87 C ANISOU 502 CD1 PHE A 86 7873 8364 8032 678 28 -323 C ATOM 503 CD2 PHE A 86 -11.523 8.238 -0.775 1.00 57.75 C ANISOU 503 CD2 PHE A 86 7078 7573 7290 388 128 -311 C ATOM 504 CE1 PHE A 86 -9.291 6.780 -1.506 1.00 62.17 C ANISOU 504 CE1 PHE A 86 7560 8279 7783 658 -5 -462 C ATOM 505 CE2 PHE A 86 -10.741 8.655 -1.831 1.00 60.17 C ANISOU 505 CE2 PHE A 86 7288 8011 7562 367 96 -449 C ATOM 506 CZ PHE A 86 -9.619 7.925 -2.197 1.00 65.38 C ANISOU 506 CZ PHE A 86 7908 8744 8188 502 29 -524 C ATOM 0 H PHE A 86 -12.187 4.136 0.849 1.00 33.54 H new ATOM 0 HA PHE A 86 -10.423 5.758 2.006 1.00 39.29 H new ATOM 0 HB2 PHE A 86 -12.892 6.295 0.737 1.00 42.44 H new ATOM 0 HB3 PHE A 86 -12.259 7.413 1.620 1.00 42.44 H new ATOM 0 HD1 PHE A 86 -9.840 5.617 0.035 1.00 63.87 H new ATOM 0 HD2 PHE A 86 -12.264 8.741 -0.524 1.00 57.75 H new ATOM 0 HE1 PHE A 86 -8.545 6.282 -1.752 1.00 62.17 H new ATOM 0 HE2 PHE A 86 -10.966 9.427 -2.299 1.00 60.17 H new ATOM 0 HZ PHE A 86 -9.090 8.208 -2.907 1.00 65.38 H new ATOM 507 N GLY A 87 -12.794 4.658 3.707 1.00 42.18 N ANISOU 507 N GLY A 87 5556 6145 4326 399 407 -74 N ATOM 508 CA GLY A 87 -13.362 4.657 5.042 1.00 41.94 C ANISOU 508 CA GLY A 87 5597 6139 4198 475 423 -111 C ATOM 509 C GLY A 87 -14.373 5.754 5.257 1.00 45.87 C ANISOU 509 C GLY A 87 6071 6657 4699 510 423 -147 C ATOM 510 O GLY A 87 -14.535 6.233 6.382 1.00 51.86 O ANISOU 510 O GLY A 87 6879 7418 5407 585 395 -198 O ATOM 0 H GLY A 87 -13.037 4.002 3.207 1.00 42.18 H new ATOM 0 HA2 GLY A 87 -13.784 3.799 5.207 1.00 41.94 H new ATOM 0 HA3 GLY A 87 -12.648 4.752 5.691 1.00 41.94 H new ATOM 511 N ALA A 88 -15.076 6.156 4.206 1.00 42.56 N ANISOU 511 N ALA A 88 5578 6253 4337 460 453 -123 N ATOM 512 CA ALA A 88 -16.026 7.249 4.288 1.00 40.61 C ANISOU 512 CA ALA A 88 5302 6022 4105 494 445 -159 C ATOM 513 C ALA A 88 -17.064 7.036 3.202 1.00 40.46 C ANISOU 513 C ALA A 88 5218 6047 4107 429 524 -116 C ATOM 514 O ALA A 88 -16.794 6.334 2.221 1.00 35.68 O ANISOU 514 O ALA A 88 4579 5442 3536 354 557 -61 O ATOM 515 CB ALA A 88 -15.338 8.610 4.123 1.00 45.77 C ANISOU 515 CB ALA A 88 5929 6613 4848 519 334 -197 C ATOM 0 H ALA A 88 -15.014 5.801 3.425 1.00 42.56 H new ATOM 0 HA ALA A 88 -16.443 7.256 5.164 1.00 40.61 H new ATOM 0 HB1 ALA A 88 -16.000 9.317 4.183 1.00 45.77 H new ATOM 0 HB2 ALA A 88 -14.677 8.726 4.824 1.00 45.77 H new ATOM 0 HB3 ALA A 88 -14.901 8.649 3.258 1.00 45.77 H new ATOM 516 N PRO A 89 -18.270 7.580 3.367 1.00 39.19 N ANISOU 516 N PRO A 89 5037 5927 3925 457 556 -143 N ATOM 517 CA PRO A 89 -19.299 7.371 2.343 1.00 37.47 C ANISOU 517 CA PRO A 89 4755 5756 3725 399 631 -106 C ATOM 518 C PRO A 89 -19.156 8.284 1.141 1.00 35.37 C ANISOU 518 C PRO A 89 4417 5452 3571 362 576 -90 C ATOM 519 O PRO A 89 -19.759 8.004 0.096 1.00 36.06 O ANISOU 519 O PRO A 89 4447 5569 3684 299 630 -48 O ATOM 520 CB PRO A 89 -20.605 7.665 3.101 1.00 38.34 C ANISOU 520 CB PRO A 89 4873 5926 3766 453 678 -153 C ATOM 521 CG PRO A 89 -20.201 8.662 4.137 1.00 38.29 C ANISOU 521 CG PRO A 89 4908 5882 3760 539 590 -219 C ATOM 522 CD PRO A 89 -18.786 8.321 4.535 1.00 41.19 C ANISOU 522 CD PRO A 89 5327 6194 4130 544 532 -211 C ATOM 0 HA PRO A 89 -19.248 6.480 1.964 1.00 37.47 H new ATOM 0 HB2 PRO A 89 -21.286 8.022 2.510 1.00 38.34 H new ATOM 0 HB3 PRO A 89 -20.971 6.862 3.504 1.00 38.34 H new ATOM 0 HG2 PRO A 89 -20.252 9.565 3.785 1.00 38.29 H new ATOM 0 HG3 PRO A 89 -20.794 8.622 4.904 1.00 38.29 H new ATOM 0 HD2 PRO A 89 -18.263 9.118 4.712 1.00 41.19 H new ATOM 0 HD3 PRO A 89 -18.762 7.781 5.340 1.00 41.19 H new ATOM 523 N SER A 90 -18.370 9.347 1.251 1.00 38.38 N ANISOU 523 N SER A 90 4801 5767 4014 395 470 -122 N ATOM 524 CA SER A 90 -18.332 10.375 0.223 1.00 37.98 C ANISOU 524 CA SER A 90 4692 5676 4063 367 412 -115 C ATOM 525 C SER A 90 -17.085 11.217 0.418 1.00 38.36 C ANISOU 525 C SER A 90 4759 5645 4169 388 300 -144 C ATOM 526 O SER A 90 -16.501 11.239 1.503 1.00 33.56 O ANISOU 526 O SER A 90 4208 5021 3524 446 263 -184 O ATOM 527 CB SER A 90 -19.577 11.251 0.321 1.00 39.53 C ANISOU 527 CB SER A 90 4863 5900 4257 414 416 -152 C ATOM 528 OG SER A 90 -19.628 11.801 1.625 1.00 47.83 O ANISOU 528 OG SER A 90 5965 6947 5262 505 378 -219 O ATOM 0 H SER A 90 -17.848 9.492 1.919 1.00 38.38 H new ATOM 0 HA SER A 90 -18.312 9.963 -0.655 1.00 37.98 H new ATOM 0 HB2 SER A 90 -19.547 11.957 -0.343 1.00 39.53 H new ATOM 0 HB3 SER A 90 -20.374 10.728 0.143 1.00 39.53 H new ATOM 0 HG SER A 90 -20.308 12.289 1.697 1.00 47.83 H new ATOM 529 N PHE A 91 -16.688 11.920 -0.643 1.00 25.53 N ANISOU 529 N PHE A 91 3091 3973 2638 339 246 -124 N ATOM 530 CA PHE A 91 -15.601 12.884 -0.562 1.00 27.73 C ANISOU 530 CA PHE A 91 3382 4175 2979 352 138 -156 C ATOM 531 C PHE A 91 -15.711 13.828 -1.745 1.00 33.73 C ANISOU 531 C PHE A 91 4093 4895 3830 304 93 -138 C ATOM 532 O PHE A 91 -16.436 13.560 -2.706 1.00 32.51 O ANISOU 532 O PHE A 91 3891 4771 3691 250 146 -93 O ATOM 533 CB PHE A 91 -14.209 12.212 -0.509 1.00 26.24 C ANISOU 533 CB PHE A 91 3213 3958 2798 318 114 -144 C ATOM 534 CG PHE A 91 -13.830 11.423 -1.745 1.00 28.58 C ANISOU 534 CG PHE A 91 3464 4259 3135 215 153 -80 C ATOM 535 CD1 PHE A 91 -13.073 12.008 -2.750 1.00 28.01 C ANISOU 535 CD1 PHE A 91 3355 4135 3152 149 95 -66 C ATOM 536 CD2 PHE A 91 -14.179 10.086 -1.868 1.00 32.93 C ANISOU 536 CD2 PHE A 91 4014 4867 3633 182 247 -37 C ATOM 537 CE1 PHE A 91 -12.711 11.300 -3.878 1.00 30.74 C ANISOU 537 CE1 PHE A 91 3657 4488 3535 53 130 -12 C ATOM 538 CE2 PHE A 91 -13.821 9.361 -2.992 1.00 35.33 C ANISOU 538 CE2 PHE A 91 4274 5176 3975 88 283 18 C ATOM 539 CZ PHE A 91 -13.083 9.963 -3.998 1.00 35.67 C ANISOU 539 CZ PHE A 91 4276 5170 4108 24 224 30 C ATOM 0 H PHE A 91 -17.041 11.849 -1.424 1.00 25.53 H new ATOM 0 HA PHE A 91 -15.685 13.377 0.269 1.00 27.73 H new ATOM 0 HB2 PHE A 91 -13.539 12.898 -0.362 1.00 26.24 H new ATOM 0 HB3 PHE A 91 -14.180 11.619 0.258 1.00 26.24 H new ATOM 0 HD1 PHE A 91 -12.804 12.894 -2.662 1.00 28.01 H new ATOM 0 HD2 PHE A 91 -14.659 9.672 -1.188 1.00 32.93 H new ATOM 0 HE1 PHE A 91 -12.222 11.713 -4.553 1.00 30.74 H new ATOM 0 HE2 PHE A 91 -14.076 8.470 -3.072 1.00 35.33 H new ATOM 0 HZ PHE A 91 -12.837 9.476 -4.751 1.00 35.67 H new ATOM 540 N SER A 92 -15.019 14.964 -1.635 1.00 27.93 N ANISOU 540 N SER A 92 3371 4092 3150 325 -6 -175 N ATOM 541 CA SER A 92 -14.888 15.922 -2.726 1.00 31.52 C ANISOU 541 CA SER A 92 3791 4492 3692 274 -63 -159 C ATOM 542 C SER A 92 -13.496 15.817 -3.328 1.00 33.39 C ANISOU 542 C SER A 92 4021 4680 3984 199 -107 -141 C ATOM 543 O SER A 92 -12.512 15.634 -2.604 1.00 28.81 O ANISOU 543 O SER A 92 3475 4083 3390 221 -141 -172 O ATOM 544 CB SER A 92 -15.122 17.360 -2.252 1.00 35.76 C ANISOU 544 CB SER A 92 4351 4982 4256 345 -146 -216 C ATOM 545 OG SER A 92 -14.940 18.270 -3.330 1.00 34.54 O ANISOU 545 OG SER A 92 4172 4768 4184 291 -204 -197 O ATOM 0 H SER A 92 -14.610 15.199 -0.916 1.00 27.93 H new ATOM 0 HA SER A 92 -15.563 15.709 -3.389 1.00 31.52 H new ATOM 0 HB2 SER A 92 -16.019 17.447 -1.894 1.00 35.76 H new ATOM 0 HB3 SER A 92 -14.508 17.574 -1.532 1.00 35.76 H new ATOM 0 HG SER A 92 -15.668 18.374 -3.735 1.00 34.54 H new ATOM 546 N VAL A 93 -13.424 15.927 -4.661 1.00 29.31 N ANISOU 546 N VAL A 93 3460 4146 3530 108 -107 -93 N ATOM 547 CA VAL A 93 -12.146 15.982 -5.362 1.00 24.61 C ANISOU 547 CA VAL A 93 2852 3502 2996 27 -153 -80 C ATOM 548 C VAL A 93 -11.305 17.146 -4.867 1.00 27.98 C ANISOU 548 C VAL A 93 3314 3858 3460 60 -258 -138 C ATOM 549 O VAL A 93 -10.077 17.146 -5.018 1.00 31.59 O ANISOU 549 O VAL A 93 3772 4281 3951 14 -301 -150 O ATOM 550 CB VAL A 93 -12.419 16.052 -6.886 1.00 30.95 C ANISOU 550 CB VAL A 93 3603 4300 3857 -74 -135 -21 C ATOM 551 CG1 VAL A 93 -11.130 16.185 -7.680 1.00 34.18 C ANISOU 551 CG1 VAL A 93 3996 4660 4330 -167 -183 -11 C ATOM 552 CG2 VAL A 93 -13.186 14.814 -7.310 1.00 29.61 C ANISOU 552 CG2 VAL A 93 3399 4205 3646 -106 -28 32 C ATOM 0 H VAL A 93 -14.112 15.971 -5.175 1.00 29.31 H new ATOM 0 HA VAL A 93 -11.630 15.181 -5.179 1.00 24.61 H new ATOM 0 HB VAL A 93 -12.949 16.843 -7.071 1.00 30.95 H new ATOM 0 HG11 VAL A 93 -11.336 16.226 -8.627 1.00 34.18 H new ATOM 0 HG12 VAL A 93 -10.668 16.996 -7.414 1.00 34.18 H new ATOM 0 HG13 VAL A 93 -10.562 15.418 -7.506 1.00 34.18 H new ATOM 0 HG21 VAL A 93 -13.360 14.852 -8.263 1.00 29.61 H new ATOM 0 HG22 VAL A 93 -12.661 14.023 -7.109 1.00 29.61 H new ATOM 0 HG23 VAL A 93 -14.028 14.774 -6.829 1.00 29.61 H new ATOM 553 N LYS A 94 -11.936 18.135 -4.240 1.00 30.47 N ANISOU 553 N LYS A 94 3657 4153 3768 140 -299 -179 N ATOM 554 CA LYS A 94 -11.192 19.247 -3.675 1.00 31.72 C ANISOU 554 CA LYS A 94 3851 4244 3956 179 -395 -238 C ATOM 555 C LYS A 94 -10.389 18.837 -2.446 1.00 31.59 C ANISOU 555 C LYS A 94 3872 4237 3893 236 -410 -286 C ATOM 556 O LYS A 94 -9.459 19.553 -2.059 1.00 39.67 O ANISOU 556 O LYS A 94 4921 5208 4945 249 -487 -333 O ATOM 557 CB LYS A 94 -12.159 20.388 -3.345 1.00 38.33 C ANISOU 557 CB LYS A 94 4708 5060 4798 252 -433 -270 C ATOM 558 CG LYS A 94 -12.855 20.954 -4.590 1.00 47.22 C ANISOU 558 CG LYS A 94 5803 6164 5976 198 -438 -227 C ATOM 559 CD LYS A 94 -13.863 22.048 -4.264 1.00 56.38 C ANISOU 559 CD LYS A 94 6980 7303 7140 279 -477 -261 C ATOM 560 CE LYS A 94 -14.370 22.708 -5.540 1.00 66.44 C ANISOU 560 CE LYS A 94 8231 8541 8473 222 -499 -220 C ATOM 561 NZ LYS A 94 -15.553 23.588 -5.301 1.00 71.86 N ANISOU 561 NZ LYS A 94 8926 9221 9156 305 -524 -249 N ATOM 0 H LYS A 94 -12.788 18.178 -4.133 1.00 30.47 H new ATOM 0 HA LYS A 94 -10.549 19.549 -4.335 1.00 31.72 H new ATOM 0 HB2 LYS A 94 -12.830 20.068 -2.722 1.00 38.33 H new ATOM 0 HB3 LYS A 94 -11.673 21.100 -2.899 1.00 38.33 H new ATOM 0 HG2 LYS A 94 -12.185 21.309 -5.195 1.00 47.22 H new ATOM 0 HG3 LYS A 94 -13.307 20.234 -5.057 1.00 47.22 H new ATOM 0 HD2 LYS A 94 -14.608 21.671 -3.771 1.00 56.38 H new ATOM 0 HD3 LYS A 94 -13.451 22.714 -3.691 1.00 56.38 H new ATOM 0 HE2 LYS A 94 -13.656 23.232 -5.935 1.00 66.44 H new ATOM 0 HE3 LYS A 94 -14.607 22.021 -6.183 1.00 66.44 H new ATOM 0 HZ1 LYS A 94 -15.814 23.951 -6.071 1.00 71.86 H new ATOM 0 HZ2 LYS A 94 -16.219 23.105 -4.961 1.00 71.86 H new ATOM 0 HZ3 LYS A 94 -15.333 24.233 -4.729 1.00 71.86 H new ATOM 562 N GLU A 95 -10.696 17.689 -1.845 1.00 28.59 N ANISOU 562 N GLU A 95 3499 3922 3443 268 -337 -275 N ATOM 563 CA GLU A 95 -9.987 17.235 -0.643 1.00 26.72 C ANISOU 563 CA GLU A 95 3304 3695 3154 327 -350 -318 C ATOM 564 C GLU A 95 -8.686 16.517 -1.018 1.00 28.45 C ANISOU 564 C GLU A 95 3510 3905 3395 260 -359 -306 C ATOM 565 O GLU A 95 -8.475 15.326 -0.762 1.00 29.15 O ANISOU 565 O GLU A 95 3603 4035 3437 257 -307 -287 O ATOM 566 CB GLU A 95 -10.903 16.364 0.209 1.00 25.84 C ANISOU 566 CB GLU A 95 3214 3652 2951 391 -272 -315 C ATOM 567 CG GLU A 95 -12.200 17.021 0.568 1.00 29.81 C ANISOU 567 CG GLU A 95 3723 4174 3431 454 -259 -334 C ATOM 568 CD GLU A 95 -13.111 16.116 1.383 1.00 40.85 C ANISOU 568 CD GLU A 95 5140 5645 4734 507 -175 -332 C ATOM 569 OE1 GLU A 95 -12.824 15.898 2.582 1.00 43.76 O ANISOU 569 OE1 GLU A 95 5557 6024 5044 573 -184 -374 O ATOM 570 OE2 GLU A 95 -14.112 15.622 0.832 1.00 37.53 O ANISOU 570 OE2 GLU A 95 4690 5273 4298 480 -100 -292 O ATOM 0 H GLU A 95 -11.313 17.155 -2.116 1.00 28.59 H new ATOM 0 HA GLU A 95 -9.739 18.006 -0.110 1.00 26.72 H new ATOM 0 HB2 GLU A 95 -11.089 15.541 -0.269 1.00 25.84 H new ATOM 0 HB3 GLU A 95 -10.437 16.120 1.024 1.00 25.84 H new ATOM 0 HG2 GLU A 95 -12.020 17.830 1.072 1.00 29.81 H new ATOM 0 HG3 GLU A 95 -12.658 17.288 -0.244 1.00 29.81 H new ATOM 571 N HIS A 96 -7.773 17.311 -1.587 1.00 32.86 N ANISOU 571 N HIS A 96 4055 4404 4026 208 -431 -322 N ATOM 572 CA HIS A 96 -6.466 16.834 -2.036 1.00 32.32 C ANISOU 572 CA HIS A 96 3966 4321 3991 137 -452 -322 C ATOM 573 C HIS A 96 -5.744 16.042 -0.948 1.00 27.56 C ANISOU 573 C HIS A 96 3396 3742 3333 194 -454 -357 C ATOM 574 O HIS A 96 -5.267 14.924 -1.184 1.00 26.05 O ANISOU 574 O HIS A 96 3188 3580 3127 157 -415 -333 O ATOM 575 CB HIS A 96 -5.641 18.047 -2.475 1.00 39.59 C ANISOU 575 CB HIS A 96 4882 5172 4987 94 -541 -356 C ATOM 576 CG HIS A 96 -4.452 17.717 -3.321 1.00 51.47 C ANISOU 576 CG HIS A 96 6351 6662 6543 -6 -557 -349 C ATOM 577 ND1 HIS A 96 -3.187 17.539 -2.796 1.00 52.53 N ANISOU 577 ND1 HIS A 96 6494 6787 6679 1 -603 -400 N ATOM 578 CD2 HIS A 96 -4.326 17.572 -4.663 1.00 50.44 C ANISOU 578 CD2 HIS A 96 6173 6526 6464 -117 -536 -302 C ATOM 579 CE1 HIS A 96 -2.339 17.280 -3.777 1.00 50.22 C ANISOU 579 CE1 HIS A 96 6158 6485 6437 -101 -607 -388 C ATOM 580 NE2 HIS A 96 -3.005 17.293 -4.920 1.00 48.38 N ANISOU 580 NE2 HIS A 96 5891 6255 6235 -176 -567 -327 N ATOM 0 H HIS A 96 -7.900 18.151 -1.723 1.00 32.86 H new ATOM 0 HA HIS A 96 -6.585 16.224 -2.781 1.00 32.32 H new ATOM 0 HB2 HIS A 96 -6.216 18.653 -2.968 1.00 39.59 H new ATOM 0 HB3 HIS A 96 -5.339 18.522 -1.685 1.00 39.59 H new ATOM 0 HD2 HIS A 96 -5.007 17.647 -5.292 1.00 50.44 H new ATOM 0 HE1 HIS A 96 -1.429 17.116 -3.680 1.00 50.22 H new ATOM 0 HE2 HIS A 96 -2.666 17.150 -5.698 1.00 48.38 H new ATOM 581 N ARG A 97 -5.674 16.601 0.258 1.00 28.39 N ANISOU 581 N ARG A 97 3548 3833 3404 288 -501 -416 N ATOM 582 CA ARG A 97 -4.932 15.949 1.334 1.00 32.79 C ANISOU 582 CA ARG A 97 4142 4408 3908 346 -514 -454 C ATOM 583 C ARG A 97 -5.547 14.600 1.683 1.00 31.45 C ANISOU 583 C ARG A 97 3988 4300 3661 370 -427 -415 C ATOM 584 O ARG A 97 -4.828 13.608 1.868 1.00 31.49 O ANISOU 584 O ARG A 97 4000 4324 3642 364 -415 -412 O ATOM 585 CB ARG A 97 -4.886 16.862 2.559 1.00 28.17 C ANISOU 585 CB ARG A 97 3606 3799 3298 443 -577 -523 C ATOM 586 CG ARG A 97 -3.994 16.360 3.662 1.00 34.04 C ANISOU 586 CG ARG A 97 4388 4551 3992 503 -607 -570 C ATOM 587 CD ARG A 97 -4.329 17.011 4.976 1.00 43.26 C ANISOU 587 CD ARG A 97 5609 5716 5112 608 -641 -626 C ATOM 588 NE ARG A 97 -5.240 16.140 5.698 1.00 53.51 N ANISOU 588 NE ARG A 97 6942 7069 6320 664 -569 -604 N ATOM 589 CZ ARG A 97 -6.501 16.436 5.965 1.00 53.95 C ANISOU 589 CZ ARG A 97 7009 7148 6343 704 -529 -596 C ATOM 590 NH1 ARG A 97 -7.000 17.605 5.599 1.00 51.18 N ANISOU 590 NH1 ARG A 97 6639 6765 6042 701 -559 -609 N ATOM 591 NH2 ARG A 97 -7.254 15.558 6.609 1.00 61.58 N ANISOU 591 NH2 ARG A 97 8006 8167 7223 745 -459 -578 N ATOM 0 H ARG A 97 -6.044 17.347 0.472 1.00 28.39 H new ATOM 0 HA ARG A 97 -4.025 15.786 1.032 1.00 32.79 H new ATOM 0 HB2 ARG A 97 -4.582 17.741 2.285 1.00 28.17 H new ATOM 0 HB3 ARG A 97 -5.786 16.968 2.906 1.00 28.17 H new ATOM 0 HG2 ARG A 97 -4.086 15.398 3.743 1.00 34.04 H new ATOM 0 HG3 ARG A 97 -3.067 16.538 3.438 1.00 34.04 H new ATOM 0 HD2 ARG A 97 -3.523 17.161 5.494 1.00 43.26 H new ATOM 0 HD3 ARG A 97 -4.737 17.879 4.829 1.00 43.26 H new ATOM 0 HE ARG A 97 -4.939 15.381 5.970 1.00 53.51 H new ATOM 0 HH11 ARG A 97 -6.504 18.174 5.187 1.00 51.18 H new ATOM 0 HH12 ARG A 97 -7.820 17.796 5.773 1.00 51.18 H new ATOM 0 HH21 ARG A 97 -6.922 14.802 6.850 1.00 61.58 H new ATOM 0 HH22 ARG A 97 -8.075 15.744 6.786 1.00 61.58 H new ATOM 592 N LYS A 98 -6.880 14.544 1.764 1.00 33.79 N ANISOU 592 N LYS A 98 4291 4630 3919 397 -366 -386 N ATOM 593 CA LYS A 98 -7.560 13.301 2.105 1.00 30.82 C ANISOU 593 CA LYS A 98 3932 4313 3463 416 -278 -349 C ATOM 594 C LYS A 98 -7.357 12.236 1.036 1.00 33.27 C ANISOU 594 C LYS A 98 4201 4645 3794 325 -220 -288 C ATOM 595 O LYS A 98 -7.165 11.057 1.353 1.00 29.47 O ANISOU 595 O LYS A 98 3741 4197 3261 331 -176 -270 O ATOM 596 CB LYS A 98 -9.048 13.578 2.311 1.00 39.17 C ANISOU 596 CB LYS A 98 4996 5404 4483 454 -226 -338 C ATOM 597 CG LYS A 98 -9.896 12.359 2.578 1.00 44.56 C ANISOU 597 CG LYS A 98 5695 6152 5084 463 -126 -299 C ATOM 598 CD LYS A 98 -11.275 12.765 3.116 1.00 53.25 C ANISOU 598 CD LYS A 98 6809 7286 6135 521 -87 -313 C ATOM 0 H LYS A 98 -7.402 15.213 1.625 1.00 33.79 H new ATOM 0 HA LYS A 98 -7.176 12.958 2.927 1.00 30.82 H new ATOM 0 HB2 LYS A 98 -9.148 14.193 3.054 1.00 39.17 H new ATOM 0 HB3 LYS A 98 -9.391 14.027 1.523 1.00 39.17 H new ATOM 0 HG2 LYS A 98 -10.000 11.847 1.761 1.00 44.56 H new ATOM 0 HG3 LYS A 98 -9.450 11.783 3.219 1.00 44.56 H new ATOM 599 N ILE A 99 -7.393 12.627 -0.237 1.00 25.56 N ANISOU 599 N ILE A 99 3168 3651 2892 241 -221 -255 N ATOM 600 CA ILE A 99 -7.236 11.649 -1.305 1.00 31.37 C ANISOU 600 CA ILE A 99 3859 4409 3650 150 -165 -198 C ATOM 601 C ILE A 99 -5.809 11.111 -1.341 1.00 29.05 C ANISOU 601 C ILE A 99 3562 4099 3378 121 -203 -217 C ATOM 602 O ILE A 99 -5.593 9.900 -1.463 1.00 30.12 O ANISOU 602 O ILE A 99 3694 4265 3485 99 -154 -188 O ATOM 603 CB ILE A 99 -7.660 12.258 -2.651 1.00 29.00 C ANISOU 603 CB ILE A 99 3503 4095 3422 66 -158 -159 C ATOM 604 CG1 ILE A 99 -9.172 12.505 -2.631 1.00 27.67 C ANISOU 604 CG1 ILE A 99 3334 3957 3222 98 -105 -136 C ATOM 605 CG2 ILE A 99 -7.234 11.335 -3.822 1.00 29.19 C ANISOU 605 CG2 ILE A 99 3475 4136 3481 -38 -114 -108 C ATOM 606 CD1 ILE A 99 -9.688 13.424 -3.732 1.00 29.10 C ANISOU 606 CD1 ILE A 99 3473 4113 3470 42 -120 -112 C ATOM 0 H ILE A 99 -7.505 13.439 -0.498 1.00 25.56 H new ATOM 0 HA ILE A 99 -7.819 10.894 -1.130 1.00 31.37 H new ATOM 0 HB ILE A 99 -7.213 13.108 -2.788 1.00 29.00 H new ATOM 0 HG12 ILE A 99 -9.627 11.651 -2.701 1.00 27.67 H new ATOM 0 HG13 ILE A 99 -9.413 12.885 -1.772 1.00 27.67 H new ATOM 0 HG21 ILE A 99 -7.508 11.732 -4.663 1.00 29.19 H new ATOM 0 HG22 ILE A 99 -6.270 11.227 -3.815 1.00 29.19 H new ATOM 0 HG23 ILE A 99 -7.657 10.468 -3.721 1.00 29.19 H new ATOM 0 HD11 ILE A 99 -10.649 13.525 -3.645 1.00 29.10 H new ATOM 0 HD12 ILE A 99 -9.263 14.293 -3.654 1.00 29.10 H new ATOM 0 HD13 ILE A 99 -9.481 13.040 -4.598 1.00 29.10 H new ATOM 607 N TYR A 100 -4.815 11.998 -1.232 1.00 28.26 N ANISOU 607 N TYR A 100 3460 3951 3328 122 -293 -269 N ATOM 608 CA TYR A 100 -3.429 11.532 -1.198 1.00 35.30 C ANISOU 608 CA TYR A 100 4345 4830 4239 101 -335 -299 C ATOM 609 C TYR A 100 -3.180 10.625 -0.005 1.00 32.53 C ANISOU 609 C TYR A 100 4049 4504 3808 183 -326 -320 C ATOM 610 O TYR A 100 -2.583 9.550 -0.148 1.00 31.11 O ANISOU 610 O TYR A 100 3862 4341 3616 161 -306 -308 O ATOM 611 CB TYR A 100 -2.460 12.717 -1.164 1.00 32.80 C ANISOU 611 CB TYR A 100 4021 4459 3982 94 -433 -360 C ATOM 612 CG TYR A 100 -1.982 13.121 -2.534 1.00 36.93 C ANISOU 612 CG TYR A 100 4483 4957 4591 -21 -448 -343 C ATOM 613 CD1 TYR A 100 -2.847 13.728 -3.429 1.00 39.32 C ANISOU 613 CD1 TYR A 100 4761 5250 4930 -73 -424 -300 C ATOM 614 CD2 TYR A 100 -0.672 12.879 -2.940 1.00 38.79 C ANISOU 614 CD2 TYR A 100 4686 5181 4870 -79 -486 -373 C ATOM 615 CE1 TYR A 100 -2.431 14.090 -4.684 1.00 42.60 C ANISOU 615 CE1 TYR A 100 5126 5641 5419 -182 -438 -282 C ATOM 616 CE2 TYR A 100 -0.244 13.243 -4.202 1.00 38.93 C ANISOU 616 CE2 TYR A 100 4649 5179 4964 -191 -497 -359 C ATOM 617 CZ TYR A 100 -1.129 13.855 -5.064 1.00 43.18 C ANISOU 617 CZ TYR A 100 5169 5705 5534 -244 -472 -311 C ATOM 618 OH TYR A 100 -0.741 14.234 -6.327 1.00 46.62 O ANISOU 618 OH TYR A 100 5555 6118 6039 -359 -483 -295 O ATOM 0 H TYR A 100 -4.918 12.850 -1.178 1.00 28.26 H new ATOM 0 HA TYR A 100 -3.273 11.021 -2.007 1.00 35.30 H new ATOM 0 HB2 TYR A 100 -2.896 13.474 -0.742 1.00 32.80 H new ATOM 0 HB3 TYR A 100 -1.695 12.488 -0.614 1.00 32.80 H new ATOM 0 HD1 TYR A 100 -3.726 13.893 -3.174 1.00 39.32 H new ATOM 0 HD2 TYR A 100 -0.078 12.467 -2.354 1.00 38.79 H new ATOM 0 HE1 TYR A 100 -3.025 14.492 -5.276 1.00 42.60 H new ATOM 0 HE2 TYR A 100 0.632 13.077 -4.467 1.00 38.93 H new ATOM 0 HH TYR A 100 -1.283 14.800 -6.629 1.00 46.62 H new ATOM 619 N THR A 101 -3.666 11.029 1.171 1.00 32.59 N ANISOU 619 N THR A 101 4113 4513 3758 279 -341 -352 N ATOM 620 CA THR A 101 -3.457 10.241 2.378 1.00 35.64 C ANISOU 620 CA THR A 101 4561 4919 4062 361 -338 -374 C ATOM 621 C THR A 101 -4.021 8.838 2.236 1.00 33.28 C ANISOU 621 C THR A 101 4272 4666 3705 345 -246 -315 C ATOM 622 O THR A 101 -3.347 7.853 2.567 1.00 33.70 O ANISOU 622 O THR A 101 4350 4729 3726 359 -245 -317 O ATOM 623 CB THR A 101 -4.081 10.945 3.579 1.00 40.36 C ANISOU 623 CB THR A 101 5214 5517 4605 457 -358 -412 C ATOM 624 OG1 THR A 101 -3.413 12.196 3.790 1.00 41.31 O ANISOU 624 OG1 THR A 101 5328 5590 4776 475 -449 -473 O ATOM 625 CG2 THR A 101 -3.930 10.081 4.810 1.00 46.12 C ANISOU 625 CG2 THR A 101 6012 6269 5241 536 -349 -429 C ATOM 0 H THR A 101 -4.116 11.753 1.287 1.00 32.59 H new ATOM 0 HA THR A 101 -2.501 10.160 2.518 1.00 35.64 H new ATOM 0 HB THR A 101 -5.024 11.100 3.410 1.00 40.36 H new ATOM 0 HG1 THR A 101 -3.717 12.770 3.257 1.00 41.31 H new ATOM 0 HG21 THR A 101 -4.327 10.531 5.572 1.00 46.12 H new ATOM 0 HG22 THR A 101 -4.377 9.232 4.667 1.00 46.12 H new ATOM 0 HG23 THR A 101 -2.988 9.925 4.982 1.00 46.12 H new ATOM 626 N MET A 102 -5.256 8.722 1.737 1.00 29.47 N ANISOU 626 N MET A 102 3773 4213 3210 316 -169 -263 N ATOM 627 CA MET A 102 -5.850 7.401 1.587 1.00 31.15 C ANISOU 627 CA MET A 102 3998 4470 3366 297 -76 -207 C ATOM 628 C MET A 102 -5.058 6.548 0.610 1.00 29.18 C ANISOU 628 C MET A 102 3705 4221 3163 216 -63 -177 C ATOM 629 O MET A 102 -4.887 5.342 0.829 1.00 33.18 O ANISOU 629 O MET A 102 4239 4749 3620 221 -23 -156 O ATOM 630 CB MET A 102 -7.307 7.508 1.135 1.00 43.60 C ANISOU 630 CB MET A 102 5556 6083 4929 274 3 -162 C ATOM 631 CG MET A 102 -8.240 8.187 2.139 1.00 56.32 C ANISOU 631 CG MET A 102 7210 7705 6484 356 5 -193 C ATOM 632 SD MET A 102 -8.045 7.647 3.856 1.00 66.31 S ANISOU 632 SD MET A 102 8573 8983 7641 461 -6 -234 S ATOM 633 CE MET A 102 -7.687 9.223 4.626 1.00 66.19 C ANISOU 633 CE MET A 102 8571 8924 7655 532 -110 -311 C ATOM 0 H MET A 102 -5.751 9.379 1.487 1.00 29.47 H new ATOM 0 HA MET A 102 -5.825 6.969 2.455 1.00 31.15 H new ATOM 0 HB2 MET A 102 -7.338 8.000 0.299 1.00 43.60 H new ATOM 0 HB3 MET A 102 -7.642 6.616 0.952 1.00 43.60 H new ATOM 0 HG2 MET A 102 -8.095 9.145 2.098 1.00 56.32 H new ATOM 0 HG3 MET A 102 -9.157 8.027 1.866 1.00 56.32 H new ATOM 0 HE1 MET A 102 -7.952 9.195 5.559 1.00 66.19 H new ATOM 0 HE2 MET A 102 -6.736 9.404 4.566 1.00 66.19 H new ATOM 0 HE3 MET A 102 -8.179 9.925 4.171 1.00 66.19 H new ATOM 634 N ILE A 103 -4.584 7.136 -0.489 1.00 27.24 N ANISOU 634 N ILE A 103 3391 3951 3008 138 -94 -174 N ATOM 635 CA ILE A 103 -3.792 6.344 -1.426 1.00 27.17 C ANISOU 635 CA ILE A 103 3335 3944 3043 58 -82 -152 C ATOM 636 C ILE A 103 -2.508 5.857 -0.765 1.00 26.34 C ANISOU 636 C ILE A 103 3257 3823 2926 98 -142 -200 C ATOM 637 O ILE A 103 -2.159 4.676 -0.861 1.00 28.75 O ANISOU 637 O ILE A 103 3569 4147 3209 85 -110 -180 O ATOM 638 CB ILE A 103 -3.494 7.137 -2.709 1.00 33.26 C ANISOU 638 CB ILE A 103 4031 4692 3913 -37 -108 -145 C ATOM 639 CG1 ILE A 103 -4.797 7.460 -3.436 1.00 36.87 C ANISOU 639 CG1 ILE A 103 4461 5169 4379 -77 -45 -91 C ATOM 640 CG2 ILE A 103 -2.564 6.319 -3.627 1.00 36.06 C ANISOU 640 CG2 ILE A 103 4335 5052 4314 -120 -101 -132 C ATOM 641 CD1 ILE A 103 -4.602 8.366 -4.622 1.00 35.52 C ANISOU 641 CD1 ILE A 103 4228 4969 4298 -165 -75 -84 C ATOM 0 H ILE A 103 -4.704 7.960 -0.704 1.00 27.24 H new ATOM 0 HA ILE A 103 -4.312 5.566 -1.680 1.00 27.17 H new ATOM 0 HB ILE A 103 -3.052 7.968 -2.473 1.00 33.26 H new ATOM 0 HG12 ILE A 103 -5.210 6.633 -3.732 1.00 36.87 H new ATOM 0 HG13 ILE A 103 -5.413 7.878 -2.814 1.00 36.87 H new ATOM 0 HG21 ILE A 103 -2.380 6.824 -4.434 1.00 36.06 H new ATOM 0 HG22 ILE A 103 -1.732 6.135 -3.164 1.00 36.06 H new ATOM 0 HG23 ILE A 103 -2.995 5.482 -3.861 1.00 36.06 H new ATOM 0 HD11 ILE A 103 -5.459 8.537 -5.043 1.00 35.52 H new ATOM 0 HD12 ILE A 103 -4.214 9.205 -4.328 1.00 35.52 H new ATOM 0 HD13 ILE A 103 -4.007 7.941 -5.260 1.00 35.52 H new ATOM 642 N TYR A 104 -1.789 6.754 -0.071 1.00 27.57 N ANISOU 642 N TYR A 104 3432 3946 3096 150 -230 -266 N ATOM 643 CA TYR A 104 -0.538 6.358 0.573 1.00 33.27 C ANISOU 643 CA TYR A 104 4177 4654 3808 193 -294 -319 C ATOM 644 C TYR A 104 -0.762 5.315 1.652 1.00 34.27 C ANISOU 644 C TYR A 104 4380 4802 3836 274 -265 -312 C ATOM 645 O TYR A 104 0.077 4.433 1.839 1.00 30.91 O ANISOU 645 O TYR A 104 3969 4379 3398 287 -283 -326 O ATOM 646 CB TYR A 104 0.148 7.575 1.196 1.00 29.45 C ANISOU 646 CB TYR A 104 3704 4135 3352 238 -391 -393 C ATOM 647 CG TYR A 104 1.165 8.270 0.355 1.00 34.95 C ANISOU 647 CG TYR A 104 4335 4803 4142 165 -451 -430 C ATOM 648 CD1 TYR A 104 2.425 7.703 0.143 1.00 33.14 C ANISOU 648 CD1 TYR A 104 4078 4572 3942 141 -490 -465 C ATOM 649 CD2 TYR A 104 0.866 9.463 -0.276 1.00 41.28 C ANISOU 649 CD2 TYR A 104 5102 5579 5003 116 -468 -429 C ATOM 650 CE1 TYR A 104 3.375 8.350 -0.619 1.00 42.73 C ANISOU 650 CE1 TYR A 104 5231 5764 5240 68 -543 -504 C ATOM 651 CE2 TYR A 104 1.800 10.100 -1.055 1.00 48.73 C ANISOU 651 CE2 TYR A 104 5990 6496 6028 41 -522 -463 C ATOM 652 CZ TYR A 104 3.051 9.547 -1.220 1.00 48.47 C ANISOU 652 CZ TYR A 104 5930 6466 6021 15 -557 -502 C ATOM 653 OH TYR A 104 3.972 10.197 -2.004 1.00 51.63 O ANISOU 653 OH TYR A 104 6273 6843 6501 -67 -606 -539 O ATOM 0 H TYR A 104 -2.007 7.579 0.034 1.00 27.57 H new ATOM 0 HA TYR A 104 0.026 5.973 -0.116 1.00 33.27 H new ATOM 0 HB2 TYR A 104 -0.536 8.218 1.438 1.00 29.45 H new ATOM 0 HB3 TYR A 104 0.576 7.293 2.019 1.00 29.45 H new ATOM 0 HD1 TYR A 104 2.626 6.877 0.521 1.00 33.14 H new ATOM 0 HD2 TYR A 104 0.022 9.839 -0.172 1.00 41.28 H new ATOM 0 HE1 TYR A 104 4.223 7.983 -0.726 1.00 42.73 H new ATOM 0 HE2 TYR A 104 1.588 10.904 -1.471 1.00 48.73 H new ATOM 0 HH TYR A 104 3.636 10.907 -2.302 1.00 51.63 H new ATOM 654 N ARG A 105 -1.895 5.372 2.345 1.00 28.79 N ANISOU 654 N ARG A 105 3739 4127 3073 327 -219 -291 N ATOM 655 CA ARG A 105 -2.161 4.345 3.342 1.00 25.83 C ANISOU 655 CA ARG A 105 3444 3774 2598 395 -186 -279 C ATOM 656 C ARG A 105 -2.379 2.971 2.722 1.00 32.38 C ANISOU 656 C ARG A 105 4267 4628 3406 343 -107 -219 C ATOM 657 O ARG A 105 -2.365 1.969 3.444 1.00 34.99 O ANISOU 657 O ARG A 105 4665 4970 3659 391 -86 -209 O ATOM 658 CB ARG A 105 -3.375 4.729 4.196 1.00 28.50 C ANISOU 658 CB ARG A 105 3835 4129 2862 455 -148 -274 C ATOM 659 CG ARG A 105 -3.169 5.915 5.116 1.00 28.64 C ANISOU 659 CG ARG A 105 3880 4124 2879 527 -225 -339 C ATOM 660 CD ARG A 105 -4.441 6.151 5.957 1.00 31.32 C ANISOU 660 CD ARG A 105 4272 4489 3139 584 -178 -333 C ATOM 661 NE ARG A 105 -4.299 7.279 6.868 1.00 31.58 N ANISOU 661 NE ARG A 105 4331 4501 3167 655 -248 -396 N ATOM 662 CZ ARG A 105 -5.319 7.913 7.441 1.00 39.08 C ANISOU 662 CZ ARG A 105 5305 5467 4079 698 -227 -407 C ATOM 663 NH1 ARG A 105 -6.567 7.524 7.208 1.00 41.48 N ANISOU 663 NH1 ARG A 105 5608 5809 4342 676 -135 -360 N ATOM 664 NH2 ARG A 105 -5.090 8.936 8.250 1.00 36.05 N ANISOU 664 NH2 ARG A 105 4942 5061 3695 762 -296 -468 N ATOM 0 H ARG A 105 -2.502 5.974 2.258 1.00 28.79 H new ATOM 0 HA ARG A 105 -1.372 4.289 3.903 1.00 25.83 H new ATOM 0 HB2 ARG A 105 -4.120 4.922 3.605 1.00 28.50 H new ATOM 0 HB3 ARG A 105 -3.630 3.962 4.733 1.00 28.50 H new ATOM 0 HG2 ARG A 105 -2.411 5.755 5.699 1.00 28.64 H new ATOM 0 HG3 ARG A 105 -2.964 6.707 4.595 1.00 28.64 H new ATOM 0 HD2 ARG A 105 -5.193 6.308 5.365 1.00 31.32 H new ATOM 0 HD3 ARG A 105 -4.643 5.350 6.466 1.00 31.32 H new ATOM 0 HE ARG A 105 -3.504 7.553 7.047 1.00 31.58 H new ATOM 0 HH11 ARG A 105 -6.719 6.859 6.684 1.00 41.48 H new ATOM 0 HH12 ARG A 105 -7.223 7.937 7.581 1.00 41.48 H new ATOM 0 HH21 ARG A 105 -4.283 9.190 8.404 1.00 36.05 H new ATOM 0 HH22 ARG A 105 -5.748 9.347 8.621 1.00 36.05 H new ATOM 665 N ASN A 106 -2.555 2.894 1.407 1.00 28.85 N ANISOU 665 N ASN A 106 3745 4190 3026 247 -65 -178 N ATOM 666 CA ASN A 106 -2.863 1.637 0.739 1.00 34.17 C ANISOU 666 CA ASN A 106 4408 4891 3684 192 16 -118 C ATOM 667 C ASN A 106 -1.795 1.209 -0.254 1.00 34.42 C ANISOU 667 C ASN A 106 4374 4912 3791 120 -8 -121 C ATOM 668 O ASN A 106 -2.088 0.472 -1.201 1.00 32.59 O ANISOU 668 O ASN A 106 4103 4701 3578 46 59 -70 O ATOM 669 CB ASN A 106 -4.230 1.734 0.073 1.00 28.68 C ANISOU 669 CB ASN A 106 3685 4228 2986 140 107 -60 C ATOM 670 CG ASN A 106 -5.329 1.638 1.075 1.00 34.19 C ANISOU 670 CG ASN A 106 4455 4950 3588 206 155 -50 C ATOM 671 OD1 ASN A 106 -5.670 0.541 1.497 1.00 36.85 O ANISOU 671 OD1 ASN A 106 4845 5308 3848 223 212 -22 O ATOM 672 ND2 ASN A 106 -5.876 2.778 1.496 1.00 35.68 N ANISOU 672 ND2 ASN A 106 4647 5134 3776 244 130 -77 N ATOM 0 H ASN A 106 -2.499 3.570 0.878 1.00 28.85 H new ATOM 0 HA ASN A 106 -2.881 0.944 1.418 1.00 34.17 H new ATOM 0 HB2 ASN A 106 -4.299 2.574 -0.407 1.00 28.68 H new ATOM 0 HB3 ASN A 106 -4.324 1.025 -0.582 1.00 28.68 H new ATOM 0 HD21 ASN A 106 -6.498 2.763 2.090 1.00 35.68 H new ATOM 0 HD22 ASN A 106 -5.607 3.529 1.174 1.00 35.68 H new ATOM 673 N LEU A 107 -0.568 1.677 -0.079 1.00 29.82 N ANISOU 673 N LEU A 107 3777 4300 3255 138 -101 -184 N ATOM 674 CA LEU A 107 0.502 1.279 -0.972 1.00 30.80 C ANISOU 674 CA LEU A 107 3836 4418 3449 72 -127 -198 C ATOM 675 C LEU A 107 1.793 1.121 -0.188 1.00 32.95 C ANISOU 675 C LEU A 107 4137 4669 3716 137 -216 -268 C ATOM 676 O LEU A 107 1.924 1.582 0.952 1.00 33.70 O ANISOU 676 O LEU A 107 4290 4748 3765 226 -269 -310 O ATOM 677 CB LEU A 107 0.664 2.262 -2.137 1.00 29.39 C ANISOU 677 CB LEU A 107 3569 4230 3369 -21 -143 -202 C ATOM 678 CG LEU A 107 0.903 3.741 -1.887 1.00 33.39 C ANISOU 678 CG LEU A 107 4066 4707 3914 -4 -217 -252 C ATOM 679 CD1 LEU A 107 2.343 4.041 -1.528 1.00 34.77 C ANISOU 679 CD1 LEU A 107 4231 4856 4122 20 -315 -332 C ATOM 680 CD2 LEU A 107 0.484 4.467 -3.164 1.00 33.79 C ANISOU 680 CD2 LEU A 107 4044 4755 4038 -107 -192 -220 C ATOM 0 H LEU A 107 -0.337 2.221 0.546 1.00 29.82 H new ATOM 0 HA LEU A 107 0.272 0.422 -1.365 1.00 30.80 H new ATOM 0 HB2 LEU A 107 1.403 1.942 -2.677 1.00 29.39 H new ATOM 0 HB3 LEU A 107 -0.136 2.192 -2.681 1.00 29.39 H new ATOM 0 HG LEU A 107 0.384 4.041 -1.124 1.00 33.39 H new ATOM 0 HD11 LEU A 107 2.448 4.994 -1.378 1.00 34.77 H new ATOM 0 HD12 LEU A 107 2.583 3.559 -0.721 1.00 34.77 H new ATOM 0 HD13 LEU A 107 2.922 3.763 -2.255 1.00 34.77 H new ATOM 0 HD21 LEU A 107 0.619 5.421 -3.053 1.00 33.79 H new ATOM 0 HD22 LEU A 107 1.020 4.149 -3.908 1.00 33.79 H new ATOM 0 HD23 LEU A 107 -0.453 4.292 -3.343 1.00 33.79 H new ATOM 681 N VAL A 108 2.745 0.448 -0.819 1.00 34.18 N ANISOU 681 N VAL A 108 4246 4824 3915 93 -234 -283 N ATOM 682 CA VAL A 108 4.110 0.363 -0.325 1.00 37.47 C ANISOU 682 CA VAL A 108 4667 5224 4348 139 -325 -358 C ATOM 683 C VAL A 108 4.982 1.148 -1.288 1.00 37.98 C ANISOU 683 C VAL A 108 4635 5280 4515 57 -374 -402 C ATOM 684 O VAL A 108 4.955 0.906 -2.499 1.00 33.87 O ANISOU 684 O VAL A 108 4044 4772 4051 -43 -330 -371 O ATOM 685 CB VAL A 108 4.582 -1.097 -0.225 1.00 37.72 C ANISOU 685 CB VAL A 108 4723 5264 4345 161 -312 -350 C ATOM 686 CG1 VAL A 108 6.037 -1.149 0.203 1.00 42.12 C ANISOU 686 CG1 VAL A 108 5273 5805 4925 207 -413 -435 C ATOM 687 CG2 VAL A 108 3.710 -1.879 0.741 1.00 41.94 C ANISOU 687 CG2 VAL A 108 5361 5804 4771 237 -263 -305 C ATOM 0 H VAL A 108 2.615 0.023 -1.555 1.00 34.18 H new ATOM 0 HA VAL A 108 4.166 0.731 0.571 1.00 37.47 H new ATOM 0 HB VAL A 108 4.503 -1.507 -1.100 1.00 37.72 H new ATOM 0 HG11 VAL A 108 6.324 -2.074 0.263 1.00 42.12 H new ATOM 0 HG12 VAL A 108 6.583 -0.683 -0.449 1.00 42.12 H new ATOM 0 HG13 VAL A 108 6.135 -0.724 1.069 1.00 42.12 H new ATOM 0 HG21 VAL A 108 4.023 -2.796 0.790 1.00 41.94 H new ATOM 0 HG22 VAL A 108 3.758 -1.474 1.621 1.00 41.94 H new ATOM 0 HG23 VAL A 108 2.791 -1.868 0.430 1.00 41.94 H new ATOM 688 N VAL A 109 5.749 2.085 -0.749 1.00 41.30 N ANISOU 688 N VAL A 109 5056 5680 4958 95 -461 -476 N ATOM 689 CA VAL A 109 6.675 2.891 -1.537 1.00 47.16 C ANISOU 689 CA VAL A 109 5715 6411 5793 20 -515 -529 C ATOM 690 C VAL A 109 7.916 2.075 -1.875 1.00 43.04 C ANISOU 690 C VAL A 109 5149 5899 5305 0 -551 -577 C ATOM 691 O VAL A 109 8.442 1.340 -1.032 1.00 46.42 O ANISOU 691 O VAL A 109 5624 6328 5686 84 -587 -609 O ATOM 692 CB VAL A 109 7.046 4.171 -0.764 1.00 55.26 C ANISOU 692 CB VAL A 109 6761 7411 6825 71 -595 -595 C ATOM 693 CG1 VAL A 109 7.918 5.072 -1.612 1.00 56.49 C ANISOU 693 CG1 VAL A 109 6836 7555 7073 -17 -645 -648 C ATOM 694 CG2 VAL A 109 5.786 4.899 -0.299 1.00 55.82 C ANISOU 694 CG2 VAL A 109 6882 7473 6854 107 -562 -553 C ATOM 0 H VAL A 109 5.748 2.274 0.090 1.00 41.30 H new ATOM 0 HA VAL A 109 6.248 3.152 -2.368 1.00 47.16 H new ATOM 0 HB VAL A 109 7.555 3.921 0.023 1.00 55.26 H new ATOM 0 HG11 VAL A 109 8.142 5.872 -1.110 1.00 56.49 H new ATOM 0 HG12 VAL A 109 8.732 4.603 -1.851 1.00 56.49 H new ATOM 0 HG13 VAL A 109 7.440 5.320 -2.419 1.00 56.49 H new ATOM 0 HG21 VAL A 109 6.036 5.701 0.185 1.00 55.82 H new ATOM 0 HG22 VAL A 109 5.249 5.141 -1.070 1.00 55.82 H new ATOM 0 HG23 VAL A 109 5.272 4.317 0.283 1.00 55.82 H new ATOM 695 N VAL A 110 8.366 2.154 -3.124 1.00 44.06 N ANISOU 695 N VAL A 110 5189 6038 5515 -113 -541 -582 N ATOM 696 CA VAL A 110 9.599 1.489 -3.537 1.00 50.13 C ANISOU 696 CA VAL A 110 5901 6819 6326 -141 -578 -638 C ATOM 697 C VAL A 110 10.717 2.523 -3.415 1.00 55.69 C ANISOU 697 C VAL A 110 6567 7511 7084 -150 -671 -735 C ATOM 698 O VAL A 110 10.932 3.325 -4.327 1.00 59.22 O ANISOU 698 O VAL A 110 6947 7955 7600 -251 -674 -748 O ATOM 699 CB VAL A 110 9.498 0.921 -4.953 1.00 50.03 C ANISOU 699 CB VAL A 110 5812 6829 6368 -262 -513 -594 C ATOM 700 CG1 VAL A 110 10.848 0.370 -5.412 1.00 43.56 C ANISOU 700 CG1 VAL A 110 4925 6024 5601 -297 -558 -666 C ATOM 701 CG2 VAL A 110 8.407 -0.139 -5.034 1.00 51.44 C ANISOU 701 CG2 VAL A 110 6032 7022 6492 -252 -420 -502 C ATOM 0 H VAL A 110 7.970 2.590 -3.751 1.00 44.06 H new ATOM 0 HA VAL A 110 9.779 0.723 -2.970 1.00 50.13 H new ATOM 0 HB VAL A 110 9.253 1.641 -5.555 1.00 50.03 H new ATOM 0 HG11 VAL A 110 10.764 0.015 -6.311 1.00 43.56 H new ATOM 0 HG12 VAL A 110 11.507 1.082 -5.406 1.00 43.56 H new ATOM 0 HG13 VAL A 110 11.131 -0.337 -4.811 1.00 43.56 H new ATOM 0 HG21 VAL A 110 8.359 -0.486 -5.939 1.00 51.44 H new ATOM 0 HG22 VAL A 110 8.612 -0.862 -4.421 1.00 51.44 H new ATOM 0 HG23 VAL A 110 7.554 0.255 -4.794 1.00 51.44 H new ATOM 702 N ASN A 111 11.423 2.524 -2.282 1.00 56.57 N ANISOU 702 N ASN A 111 6721 7613 7159 -47 -746 -803 N ATOM 703 CA ASN A 111 12.572 3.424 -2.105 1.00 62.01 C ANISOU 703 CA ASN A 111 7372 8294 7895 -50 -836 -905 C ATOM 704 C ASN A 111 13.650 3.089 -3.130 1.00 70.16 C ANISOU 704 C ASN A 111 8306 9348 9003 -143 -853 -957 C ATOM 705 O ASN A 111 14.251 3.977 -3.743 1.00 70.09 O ANISOU 705 O ASN A 111 8233 9337 9060 -226 -884 -1008 O ATOM 706 CB ASN A 111 13.156 3.334 -0.683 1.00 59.41 C ANISOU 706 CB ASN A 111 7107 7956 7509 84 -914 -970 C ATOM 707 CG ASN A 111 14.451 4.154 -0.513 1.00 61.51 C ANISOU 707 CG ASN A 111 7326 8220 7825 80 -1009 -1085 C ATOM 708 OD1 ASN A 111 14.581 5.271 -1.025 1.00 58.21 O ANISOU 708 OD1 ASN A 111 6865 7792 7461 4 -1022 -1108 O ATOM 709 ND2 ASN A 111 15.414 3.587 0.206 1.00 58.37 N ANISOU 709 ND2 ASN A 111 6939 7831 7406 161 -1076 -1158 N ATOM 710 OXT ASN A 111 13.930 1.912 -3.371 1.00 75.90 O ANISOU 710 OXT ASN A 111 9019 10096 9726 -140 -834 -951 O ATOM 0 H ASN A 111 11.257 2.017 -1.608 1.00 56.57 H new ATOM 0 HA ASN A 111 12.261 4.333 -2.239 1.00 62.01 H new ATOM 0 HB2 ASN A 111 12.495 3.647 -0.046 1.00 59.41 H new ATOM 0 HB3 ASN A 111 13.337 2.405 -0.471 1.00 59.41 H new ATOM 0 HD21 ASN A 111 16.159 3.999 0.328 1.00 58.37 H new ATOM 0 HD22 ASN A 111 15.292 2.808 0.549 1.00 58.37 H new TER 711 ASN A 111 ATOM 712 N GLU B 25 -11.083 32.793 -23.521 1.00 78.51 N ANISOU 712 N GLU B 25 10131 9766 9932 -1358 1075 -67 N ATOM 713 CA GLU B 25 -11.031 31.428 -24.037 1.00 77.91 C ANISOU 713 CA GLU B 25 9963 9663 9975 -1288 987 -9 C ATOM 714 C GLU B 25 -11.968 31.223 -25.222 1.00 71.79 C ANISOU 714 C GLU B 25 9308 8772 9195 -1124 976 -45 C ATOM 715 O GLU B 25 -13.066 31.776 -25.270 1.00 71.98 O ANISOU 715 O GLU B 25 9432 8778 9139 -1066 976 -89 O ATOM 716 CB GLU B 25 -11.375 30.425 -22.939 1.00 79.50 C ANISOU 716 CB GLU B 25 9988 9985 10233 -1345 853 79 C ATOM 717 CG GLU B 25 -10.209 30.037 -22.053 1.00 82.65 C ANISOU 717 CG GLU B 25 10235 10476 10694 -1478 826 137 C ATOM 718 CD GLU B 25 -10.652 29.215 -20.863 1.00 88.38 C ANISOU 718 CD GLU B 25 10812 11322 11448 -1544 698 221 C ATOM 719 OE1 GLU B 25 -10.004 28.189 -20.564 1.00 89.42 O ANISOU 719 OE1 GLU B 25 10805 11491 11680 -1582 617 291 O ATOM 720 OE2 GLU B 25 -11.662 29.591 -20.232 1.00 92.35 O ANISOU 720 OE2 GLU B 25 11338 11879 11871 -1556 678 216 O ATOM 0 HA GLU B 25 -10.123 31.279 -24.343 1.00 77.91 H new ATOM 0 HB2 GLU B 25 -12.077 30.799 -22.384 1.00 79.50 H new ATOM 0 HB3 GLU B 25 -11.734 29.623 -23.350 1.00 79.50 H new ATOM 0 HG2 GLU B 25 -9.563 29.532 -22.572 1.00 82.65 H new ATOM 0 HG3 GLU B 25 -9.759 30.838 -21.742 1.00 82.65 H new ATOM 721 N THR B 26 -11.522 30.414 -26.176 1.00 67.79 N ANISOU 721 N THR B 26 8792 8188 8779 -1047 964 -30 N ATOM 722 CA THR B 26 -12.323 30.108 -27.353 1.00 59.61 C ANISOU 722 CA THR B 26 7864 7036 7749 -887 945 -62 C ATOM 723 C THR B 26 -13.398 29.086 -27.003 1.00 46.84 C ANISOU 723 C THR B 26 6149 5465 6185 -835 804 -8 C ATOM 724 O THR B 26 -13.114 28.056 -26.383 1.00 46.90 O ANISOU 724 O THR B 26 5988 5549 6282 -889 711 72 O ATOM 725 CB THR B 26 -11.432 29.587 -28.478 1.00 61.80 C ANISOU 725 CB THR B 26 8161 7216 8104 -826 983 -65 C ATOM 726 OG1 THR B 26 -10.410 30.551 -28.760 1.00 68.97 O ANISOU 726 OG1 THR B 26 9155 8085 8964 -886 1123 -117 O ATOM 727 CG2 THR B 26 -12.251 29.348 -29.730 1.00 53.85 C ANISOU 727 CG2 THR B 26 7285 6084 7094 -656 968 -104 C ATOM 0 H THR B 26 -10.753 30.030 -26.160 1.00 67.79 H new ATOM 0 HA THR B 26 -12.757 30.920 -27.658 1.00 59.61 H new ATOM 0 HB THR B 26 -11.030 28.750 -28.198 1.00 61.80 H new ATOM 0 HG1 THR B 26 -9.918 30.265 -29.378 1.00 68.97 H new ATOM 0 HG21 THR B 26 -11.674 29.018 -30.436 1.00 53.85 H new ATOM 0 HG22 THR B 26 -12.942 28.693 -29.545 1.00 53.85 H new ATOM 0 HG23 THR B 26 -12.662 30.180 -30.012 1.00 53.85 H new ATOM 728 N LEU B 27 -14.636 29.389 -27.384 1.00 39.49 N ANISOU 728 N LEU B 27 5324 4485 5197 -733 786 -55 N ATOM 729 CA LEU B 27 -15.788 28.526 -27.171 1.00 35.44 C ANISOU 729 CA LEU B 27 4738 4001 4728 -672 662 -20 C ATOM 730 C LEU B 27 -16.127 27.726 -28.428 1.00 37.43 C ANISOU 730 C LEU B 27 5037 4135 5050 -517 615 -29 C ATOM 731 O LEU B 27 -15.973 28.221 -29.547 1.00 32.95 O ANISOU 731 O LEU B 27 4624 3447 4448 -425 689 -93 O ATOM 732 CB LEU B 27 -16.999 29.362 -26.756 1.00 36.36 C ANISOU 732 CB LEU B 27 4931 4141 4743 -656 665 -76 C ATOM 733 CG LEU B 27 -16.885 29.940 -25.351 1.00 34.71 C ANISOU 733 CG LEU B 27 4648 4067 4473 -807 682 -57 C ATOM 734 CD1 LEU B 27 -18.156 30.702 -25.020 1.00 41.66 C ANISOU 734 CD1 LEU B 27 5603 4967 5260 -777 681 -118 C ATOM 735 CD2 LEU B 27 -16.629 28.841 -24.325 1.00 34.82 C ANISOU 735 CD2 LEU B 27 4458 4200 4571 -906 584 47 C ATOM 0 H LEU B 27 -14.832 30.124 -27.785 1.00 39.49 H new ATOM 0 HA LEU B 27 -15.563 27.901 -26.464 1.00 35.44 H new ATOM 0 HB2 LEU B 27 -17.114 30.088 -27.389 1.00 36.36 H new ATOM 0 HB3 LEU B 27 -17.796 28.812 -26.808 1.00 36.36 H new ATOM 0 HG LEU B 27 -16.129 30.547 -25.319 1.00 34.71 H new ATOM 0 HD11 LEU B 27 -18.088 31.072 -24.126 1.00 41.66 H new ATOM 0 HD12 LEU B 27 -18.278 31.422 -25.659 1.00 41.66 H new ATOM 0 HD13 LEU B 27 -18.915 30.100 -25.063 1.00 41.66 H new ATOM 0 HD21 LEU B 27 -16.560 29.233 -23.441 1.00 34.82 H new ATOM 0 HD22 LEU B 27 -17.362 28.206 -24.341 1.00 34.82 H new ATOM 0 HD23 LEU B 27 -15.801 28.384 -24.540 1.00 34.82 H new ATOM 736 N VAL B 28 -16.575 26.483 -28.239 1.00 32.35 N ANISOU 736 N VAL B 28 4264 3525 4504 -490 492 37 N ATOM 737 CA VAL B 28 -16.970 25.629 -29.355 1.00 33.55 C ANISOU 737 CA VAL B 28 4444 3572 4730 -342 431 33 C ATOM 738 C VAL B 28 -18.408 25.170 -29.136 1.00 32.67 C ANISOU 738 C VAL B 28 4300 3479 4633 -278 328 35 C ATOM 739 O VAL B 28 -18.912 25.104 -28.009 1.00 28.65 O ANISOU 739 O VAL B 28 3692 3082 4113 -366 281 71 O ATOM 740 CB VAL B 28 -16.046 24.407 -29.558 1.00 34.01 C ANISOU 740 CB VAL B 28 4376 3631 4916 -353 375 107 C ATOM 741 CG1 VAL B 28 -14.610 24.861 -29.851 1.00 33.95 C ANISOU 741 CG1 VAL B 28 4398 3599 4903 -411 484 93 C ATOM 742 CG2 VAL B 28 -16.112 23.473 -28.358 1.00 34.06 C ANISOU 742 CG2 VAL B 28 4185 3763 4993 -454 265 202 C ATOM 0 H VAL B 28 -16.657 26.116 -27.466 1.00 32.35 H new ATOM 0 HA VAL B 28 -16.893 26.157 -30.165 1.00 33.55 H new ATOM 0 HB VAL B 28 -16.358 23.907 -30.329 1.00 34.01 H new ATOM 0 HG11 VAL B 28 -14.044 24.083 -29.976 1.00 33.95 H new ATOM 0 HG12 VAL B 28 -14.599 25.401 -30.657 1.00 33.95 H new ATOM 0 HG13 VAL B 28 -14.278 25.386 -29.106 1.00 33.95 H new ATOM 0 HG21 VAL B 28 -15.526 22.714 -28.506 1.00 34.06 H new ATOM 0 HG22 VAL B 28 -15.830 23.949 -27.561 1.00 34.06 H new ATOM 0 HG23 VAL B 28 -17.023 23.160 -28.241 1.00 34.06 H new ATOM 743 N ARG B 29 -19.074 24.852 -30.241 1.00 29.48 N ANISOU 743 N ARG B 29 3983 2961 4255 -122 292 -6 N ATOM 744 CA ARG B 29 -20.448 24.351 -30.206 1.00 27.44 C ANISOU 744 CA ARG B 29 3697 2702 4025 -43 191 -13 C ATOM 745 C ARG B 29 -20.494 22.941 -30.774 1.00 35.74 C ANISOU 745 C ARG B 29 4663 3709 5207 38 85 40 C ATOM 746 O ARG B 29 -20.397 22.759 -32.002 1.00 35.46 O ANISOU 746 O ARG B 29 4726 3550 5196 167 91 3 O ATOM 747 CB ARG B 29 -21.362 25.289 -30.993 1.00 27.99 C ANISOU 747 CB ARG B 29 3954 2674 4009 82 231 -123 C ATOM 748 CG ARG B 29 -22.824 24.929 -31.014 1.00 31.78 C ANISOU 748 CG ARG B 29 4418 3145 4512 172 135 -152 C ATOM 749 CD ARG B 29 -23.561 25.833 -32.007 1.00 30.10 C ANISOU 749 CD ARG B 29 4409 2808 4219 316 172 -267 C ATOM 750 NE ARG B 29 -23.226 27.237 -31.805 1.00 27.57 N ANISOU 750 NE ARG B 29 4212 2491 3770 261 289 -325 N ATOM 751 CZ ARG B 29 -22.591 27.995 -32.695 1.00 33.85 C ANISOU 751 CZ ARG B 29 5180 3183 4501 310 384 -377 C ATOM 752 NH1 ARG B 29 -22.233 27.490 -33.864 1.00 32.30 N ANISOU 752 NH1 ARG B 29 5052 2870 4350 418 379 -380 N ATOM 753 NH2 ARG B 29 -22.321 29.262 -32.419 1.00 31.47 N ANISOU 753 NH2 ARG B 29 4983 2890 4084 250 486 -426 N ATOM 0 H ARG B 29 -18.744 24.920 -31.032 1.00 29.48 H new ATOM 0 HA ARG B 29 -20.761 24.322 -29.288 1.00 27.44 H new ATOM 0 HB2 ARG B 29 -21.273 26.182 -30.624 1.00 27.99 H new ATOM 0 HB3 ARG B 29 -21.044 25.327 -31.909 1.00 27.99 H new ATOM 0 HG2 ARG B 29 -22.934 23.999 -31.266 1.00 31.78 H new ATOM 0 HG3 ARG B 29 -23.204 25.029 -30.127 1.00 31.78 H new ATOM 0 HD2 ARG B 29 -23.334 25.572 -32.913 1.00 30.10 H new ATOM 0 HD3 ARG B 29 -24.518 25.711 -31.908 1.00 30.10 H new ATOM 0 HE ARG B 29 -23.454 27.600 -31.060 1.00 27.57 H new ATOM 0 HH11 ARG B 29 -22.411 26.669 -34.051 1.00 32.30 H new ATOM 0 HH12 ARG B 29 -21.823 27.982 -34.438 1.00 32.30 H new ATOM 0 HH21 ARG B 29 -22.556 29.597 -31.663 1.00 31.47 H new ATOM 0 HH22 ARG B 29 -21.910 29.750 -32.996 1.00 31.47 H new ATOM 754 N PRO B 30 -20.609 21.917 -29.931 1.00 29.10 N ANISOU 754 N PRO B 30 3645 2961 4450 -35 -14 128 N ATOM 755 CA PRO B 30 -20.719 20.551 -30.442 1.00 32.01 C ANISOU 755 CA PRO B 30 3930 3286 4945 42 -124 179 C ATOM 756 C PRO B 30 -21.946 20.380 -31.323 1.00 30.18 C ANISOU 756 C PRO B 30 3781 2958 4729 203 -179 116 C ATOM 757 O PRO B 30 -23.015 20.928 -31.051 1.00 30.56 O ANISOU 757 O PRO B 30 3870 3022 4720 223 -182 64 O ATOM 758 CB PRO B 30 -20.820 19.702 -29.170 1.00 33.21 C ANISOU 758 CB PRO B 30 3893 3568 5159 -83 -214 277 C ATOM 759 CG PRO B 30 -20.136 20.521 -28.126 1.00 33.86 C ANISOU 759 CG PRO B 30 3951 3753 5159 -237 -135 293 C ATOM 760 CD PRO B 30 -20.458 21.948 -28.462 1.00 25.71 C ANISOU 760 CD PRO B 30 3086 2680 4003 -201 -24 190 C ATOM 0 HA PRO B 30 -19.970 20.300 -31.005 1.00 32.01 H new ATOM 0 HB2 PRO B 30 -21.744 19.527 -28.934 1.00 33.21 H new ATOM 0 HB3 PRO B 30 -20.388 18.841 -29.284 1.00 33.21 H new ATOM 0 HG2 PRO B 30 -20.453 20.291 -27.239 1.00 33.86 H new ATOM 0 HG3 PRO B 30 -19.178 20.368 -28.134 1.00 33.86 H new ATOM 0 HD2 PRO B 30 -21.270 22.246 -28.024 1.00 25.71 H new ATOM 0 HD3 PRO B 30 -19.750 22.551 -28.186 1.00 25.71 H new ATOM 761 N LYS B 31 -21.770 19.610 -32.396 1.00 26.79 N ANISOU 761 N LYS B 31 3375 2425 4379 322 -224 118 N ATOM 762 CA LYS B 31 -22.876 19.227 -33.248 1.00 27.32 C ANISOU 762 CA LYS B 31 3500 2398 4484 480 -298 68 C ATOM 763 C LYS B 31 -23.791 18.254 -32.496 1.00 29.83 C ANISOU 763 C LYS B 31 3660 2788 4885 450 -422 125 C ATOM 764 O LYS B 31 -23.393 17.676 -31.478 1.00 30.04 O ANISOU 764 O LYS B 31 3536 2923 4955 319 -459 216 O ATOM 765 CB LYS B 31 -22.328 18.612 -34.538 1.00 33.89 C ANISOU 765 CB LYS B 31 4390 3107 5381 604 -314 61 C ATOM 766 CG LYS B 31 -21.638 19.629 -35.460 1.00 42.56 C ANISOU 766 CG LYS B 31 5674 4109 6386 657 -187 -12 C ATOM 767 CD LYS B 31 -21.043 18.942 -36.695 1.00 45.33 C ANISOU 767 CD LYS B 31 6072 4346 6805 772 -200 -14 C ATOM 768 CE LYS B 31 -20.373 19.933 -37.641 1.00 49.55 C ANISOU 768 CE LYS B 31 6801 4783 7245 823 -68 -87 C ATOM 769 NZ LYS B 31 -21.342 20.950 -38.137 1.00 62.52 N ANISOU 769 NZ LYS B 31 8626 6347 8781 920 -33 -184 N ATOM 0 H LYS B 31 -21.007 19.300 -32.644 1.00 26.79 H new ATOM 0 HA LYS B 31 -23.405 20.005 -33.486 1.00 27.32 H new ATOM 0 HB2 LYS B 31 -21.696 17.912 -34.311 1.00 33.89 H new ATOM 0 HB3 LYS B 31 -23.056 18.191 -35.021 1.00 33.89 H new ATOM 0 HG2 LYS B 31 -22.277 20.303 -35.738 1.00 42.56 H new ATOM 0 HG3 LYS B 31 -20.936 20.088 -34.972 1.00 42.56 H new ATOM 0 HD2 LYS B 31 -20.394 18.278 -36.413 1.00 45.33 H new ATOM 0 HD3 LYS B 31 -21.745 18.469 -37.169 1.00 45.33 H new ATOM 0 HE2 LYS B 31 -19.642 20.376 -37.183 1.00 49.55 H new ATOM 0 HE3 LYS B 31 -19.989 19.456 -38.393 1.00 49.55 H new ATOM 0 HZ1 LYS B 31 -21.246 21.047 -39.016 1.00 62.52 H new ATOM 0 HZ2 LYS B 31 -22.172 20.682 -37.957 1.00 62.52 H new ATOM 0 HZ3 LYS B 31 -21.188 21.728 -37.734 1.00 62.52 H new ATOM 770 N PRO B 32 -25.021 18.041 -32.988 1.00 34.87 N ANISOU 770 N PRO B 32 4320 4301 4627 124 -247 -73 N ATOM 771 CA PRO B 32 -26.035 17.349 -32.162 1.00 31.61 C ANISOU 771 CA PRO B 32 3853 3947 4209 123 -222 -96 C ATOM 772 C PRO B 32 -25.644 15.965 -31.642 1.00 29.81 C ANISOU 772 C PRO B 32 3617 3705 4005 72 -151 -96 C ATOM 773 O PRO B 32 -25.924 15.661 -30.469 1.00 29.61 O ANISOU 773 O PRO B 32 3562 3698 3991 92 -132 -101 O ATOM 774 CB PRO B 32 -27.239 17.287 -33.109 1.00 36.89 C ANISOU 774 CB PRO B 32 4491 4682 4843 103 -243 -118 C ATOM 775 CG PRO B 32 -27.092 18.529 -33.932 1.00 34.74 C ANISOU 775 CG PRO B 32 4249 4396 4555 136 -303 -109 C ATOM 776 CD PRO B 32 -25.628 18.643 -34.194 1.00 31.32 C ANISOU 776 CD PRO B 32 3872 3881 4146 123 -291 -82 C ATOM 0 HA PRO B 32 -26.190 17.824 -31.331 1.00 31.61 H new ATOM 0 HB2 PRO B 32 -27.221 16.488 -33.659 1.00 36.89 H new ATOM 0 HB3 PRO B 32 -28.078 17.277 -32.622 1.00 36.89 H new ATOM 0 HG2 PRO B 32 -27.594 18.464 -34.760 1.00 34.74 H new ATOM 0 HG3 PRO B 32 -27.426 19.307 -33.458 1.00 34.74 H new ATOM 0 HD2 PRO B 32 -25.370 18.169 -35.000 1.00 31.32 H new ATOM 0 HD3 PRO B 32 -25.355 19.567 -34.309 1.00 31.32 H new ATOM 777 N LEU B 33 -25.018 15.103 -32.449 1.00 30.82 N ANISOU 777 N LEU B 33 3770 3800 4140 8 -110 -90 N ATOM 778 CA LEU B 33 -24.683 13.770 -31.941 1.00 31.93 C ANISOU 778 CA LEU B 33 3903 3927 4303 -40 -41 -91 C ATOM 779 C LEU B 33 -23.603 13.835 -30.863 1.00 33.55 C ANISOU 779 C LEU B 33 4129 4077 4543 -16 -20 -68 C ATOM 780 O LEU B 33 -23.704 13.160 -29.830 1.00 32.61 O ANISOU 780 O LEU B 33 3984 3967 4441 -19 16 -72 O ATOM 781 CB LEU B 33 -24.239 12.847 -33.075 1.00 33.71 C ANISOU 781 CB LEU B 33 4155 4128 4525 -112 -2 -90 C ATOM 782 CG LEU B 33 -23.918 11.412 -32.617 1.00 46.94 C ANISOU 782 CG LEU B 33 5824 5790 6222 -164 70 -92 C ATOM 783 CD1 LEU B 33 -25.095 10.728 -31.924 1.00 50.92 C ANISOU 783 CD1 LEU B 33 6270 6359 6718 -173 86 -116 C ATOM 784 CD2 LEU B 33 -23.396 10.547 -33.773 1.00 55.16 C ANISOU 784 CD2 LEU B 33 6899 6800 7258 -231 108 -90 C ATOM 0 H LEU B 33 -24.786 15.261 -33.262 1.00 30.82 H new ATOM 0 HA LEU B 33 -25.488 13.406 -31.540 1.00 31.93 H new ATOM 0 HB2 LEU B 33 -24.938 12.815 -33.747 1.00 33.71 H new ATOM 0 HB3 LEU B 33 -23.454 13.225 -33.500 1.00 33.71 H new ATOM 0 HG LEU B 33 -23.212 11.500 -31.958 1.00 46.94 H new ATOM 0 HD11 LEU B 33 -24.838 9.831 -31.658 1.00 50.92 H new ATOM 0 HD12 LEU B 33 -25.349 11.237 -31.139 1.00 50.92 H new ATOM 0 HD13 LEU B 33 -25.847 10.680 -32.535 1.00 50.92 H new ATOM 0 HD21 LEU B 33 -23.205 9.653 -33.448 1.00 55.16 H new ATOM 0 HD22 LEU B 33 -24.068 10.500 -34.471 1.00 55.16 H new ATOM 0 HD23 LEU B 33 -22.585 10.940 -34.131 1.00 55.16 H new ATOM 785 N LEU B 34 -22.541 14.611 -31.103 1.00 30.86 N ANISOU 785 N LEU B 34 3834 3676 4215 5 -42 -42 N ATOM 786 CA LEU B 34 -21.510 14.787 -30.086 1.00 28.68 C ANISOU 786 CA LEU B 34 3579 3346 3972 30 -29 -17 C ATOM 787 C LEU B 34 -22.100 15.373 -28.805 1.00 29.11 C ANISOU 787 C LEU B 34 3603 3430 4027 92 -57 -25 C ATOM 788 O LEU B 34 -21.738 14.954 -27.699 1.00 30.25 O ANISOU 788 O LEU B 34 3739 3558 4195 99 -25 -18 O ATOM 789 CB LEU B 34 -20.387 15.682 -30.621 1.00 27.52 C ANISOU 789 CB LEU B 34 3485 3136 3835 46 -60 15 C ATOM 790 CG LEU B 34 -19.329 16.052 -29.570 1.00 29.23 C ANISOU 790 CG LEU B 34 3725 3296 4085 78 -58 44 C ATOM 791 CD1 LEU B 34 -18.715 14.796 -28.999 1.00 30.45 C ANISOU 791 CD1 LEU B 34 3877 3426 4267 35 14 52 C ATOM 792 CD2 LEU B 34 -18.271 16.955 -30.151 1.00 29.92 C ANISOU 792 CD2 LEU B 34 3862 3325 4180 93 -92 77 C ATOM 0 H LEU B 34 -22.403 15.037 -31.838 1.00 30.86 H new ATOM 0 HA LEU B 34 -21.140 13.916 -29.873 1.00 28.68 H new ATOM 0 HB2 LEU B 34 -19.951 15.231 -31.361 1.00 27.52 H new ATOM 0 HB3 LEU B 34 -20.776 16.497 -30.975 1.00 27.52 H new ATOM 0 HG LEU B 34 -19.764 16.542 -28.854 1.00 29.23 H new ATOM 0 HD11 LEU B 34 -18.048 15.034 -28.336 1.00 30.45 H new ATOM 0 HD12 LEU B 34 -19.406 14.258 -28.582 1.00 30.45 H new ATOM 0 HD13 LEU B 34 -18.296 14.288 -29.711 1.00 30.45 H new ATOM 0 HD21 LEU B 34 -17.619 17.171 -29.467 1.00 29.92 H new ATOM 0 HD22 LEU B 34 -17.829 16.504 -30.887 1.00 29.92 H new ATOM 0 HD23 LEU B 34 -18.684 17.772 -30.473 1.00 29.92 H new ATOM 793 N LEU B 35 -23.019 16.334 -28.933 1.00 28.93 N ANISOU 793 N LEU B 35 3563 3451 3976 138 -114 -39 N ATOM 794 CA LEU B 35 -23.629 16.936 -27.743 1.00 33.44 C ANISOU 794 CA LEU B 35 4108 4054 4545 202 -142 -47 C ATOM 795 C LEU B 35 -24.386 15.898 -26.930 1.00 32.69 C ANISOU 795 C LEU B 35 3961 4007 4452 185 -96 -66 C ATOM 796 O LEU B 35 -24.313 15.893 -25.694 1.00 31.36 O ANISOU 796 O LEU B 35 3781 3837 4298 219 -86 -63 O ATOM 797 CB LEU B 35 -24.554 18.081 -28.148 1.00 29.79 C ANISOU 797 CB LEU B 35 3634 3634 4049 252 -209 -60 C ATOM 798 CG LEU B 35 -25.168 18.988 -27.065 1.00 28.57 C ANISOU 798 CG LEU B 35 3460 3508 3886 330 -250 -67 C ATOM 799 CD1 LEU B 35 -24.105 19.723 -26.225 1.00 33.60 C ANISOU 799 CD1 LEU B 35 4139 4081 4547 374 -269 -42 C ATOM 800 CD2 LEU B 35 -26.176 19.962 -27.648 1.00 36.67 C ANISOU 800 CD2 LEU B 35 4472 4583 4876 370 -310 -81 C ATOM 0 H LEU B 35 -23.299 16.647 -29.684 1.00 28.93 H new ATOM 0 HA LEU B 35 -22.920 17.290 -27.184 1.00 33.44 H new ATOM 0 HB2 LEU B 35 -24.059 18.651 -28.757 1.00 29.79 H new ATOM 0 HB3 LEU B 35 -25.287 17.696 -28.653 1.00 29.79 H new ATOM 0 HG LEU B 35 -25.642 18.397 -26.460 1.00 28.57 H new ATOM 0 HD11 LEU B 35 -24.544 20.278 -25.561 1.00 33.60 H new ATOM 0 HD12 LEU B 35 -23.538 19.074 -25.780 1.00 33.60 H new ATOM 0 HD13 LEU B 35 -23.563 20.281 -26.805 1.00 33.60 H new ATOM 0 HD21 LEU B 35 -26.540 20.514 -26.939 1.00 36.67 H new ATOM 0 HD22 LEU B 35 -25.739 20.526 -28.305 1.00 36.67 H new ATOM 0 HD23 LEU B 35 -26.894 19.468 -28.074 1.00 36.67 H new ATOM 801 N LYS B 36 -25.104 15.000 -27.613 1.00 32.51 N ANISOU 801 N LYS B 36 3910 4028 4414 133 -69 -85 N ATOM 802 CA LYS B 36 -25.809 13.906 -26.947 1.00 30.18 C ANISOU 802 CA LYS B 36 3566 3778 4121 107 -24 -101 C ATOM 803 C LYS B 36 -24.866 13.031 -26.130 1.00 31.08 C ANISOU 803 C LYS B 36 3692 3846 4271 82 34 -87 C ATOM 804 O LYS B 36 -25.192 12.636 -25.002 1.00 35.47 O ANISOU 804 O LYS B 36 4214 4425 4836 98 57 -92 O ATOM 805 CB LYS B 36 -26.538 13.054 -27.987 1.00 35.31 C ANISOU 805 CB LYS B 36 4195 4469 4751 45 -4 -119 C ATOM 806 CG LYS B 36 -27.318 11.883 -27.400 1.00 44.19 C ANISOU 806 CG LYS B 36 5268 5644 5878 12 41 -135 C ATOM 0 H LYS B 36 -25.194 15.010 -28.468 1.00 32.51 H new ATOM 0 HA LYS B 36 -26.449 14.298 -26.333 1.00 30.18 H new ATOM 0 HB2 LYS B 36 -27.149 13.620 -28.483 1.00 35.31 H new ATOM 0 HB3 LYS B 36 -25.890 12.712 -28.622 1.00 35.31 H new ATOM 807 N LEU B 37 -23.704 12.695 -26.690 1.00 26.55 N ANISOU 807 N LEU B 37 3163 3208 3716 42 61 -68 N ATOM 808 CA LEU B 37 -22.727 11.901 -25.945 1.00 24.00 C ANISOU 808 CA LEU B 37 2853 2838 3428 19 116 -52 C ATOM 809 C LEU B 37 -22.245 12.637 -24.707 1.00 27.02 C ANISOU 809 C LEU B 37 3244 3194 3830 79 97 -36 C ATOM 810 O LEU B 37 -22.116 12.036 -23.632 1.00 32.71 O ANISOU 810 O LEU B 37 3946 3913 4570 80 134 -34 O ATOM 811 CB LEU B 37 -21.544 11.540 -26.833 1.00 27.96 C ANISOU 811 CB LEU B 37 3404 3274 3944 -28 143 -31 C ATOM 812 CG LEU B 37 -21.847 10.767 -28.120 1.00 35.40 C ANISOU 812 CG LEU B 37 4349 4231 4869 -92 165 -44 C ATOM 813 CD1 LEU B 37 -20.526 10.239 -28.678 1.00 37.97 C ANISOU 813 CD1 LEU B 37 4722 4487 5215 -135 206 -19 C ATOM 814 CD2 LEU B 37 -22.853 9.645 -27.891 1.00 38.58 C ANISOU 814 CD2 LEU B 37 4704 4691 5263 -129 202 -70 C ATOM 0 H LEU B 37 -23.465 12.912 -27.487 1.00 26.55 H new ATOM 0 HA LEU B 37 -23.167 11.085 -25.659 1.00 24.00 H new ATOM 0 HB2 LEU B 37 -21.088 12.361 -27.075 1.00 27.96 H new ATOM 0 HB3 LEU B 37 -20.921 11.015 -26.306 1.00 27.96 H new ATOM 0 HG LEU B 37 -22.262 11.362 -28.765 1.00 35.40 H new ATOM 0 HD11 LEU B 37 -20.694 9.745 -29.495 1.00 37.97 H new ATOM 0 HD12 LEU B 37 -19.934 10.984 -28.867 1.00 37.97 H new ATOM 0 HD13 LEU B 37 -20.110 9.653 -28.026 1.00 37.97 H new ATOM 0 HD21 LEU B 37 -23.017 9.182 -28.727 1.00 38.58 H new ATOM 0 HD22 LEU B 37 -22.498 9.020 -27.240 1.00 38.58 H new ATOM 0 HD23 LEU B 37 -23.685 10.018 -27.560 1.00 38.58 H new ATOM 815 N LEU B 38 -21.934 13.929 -24.840 1.00 29.24 N ANISOU 815 N LEU B 38 3555 3452 4105 130 39 -24 N ATOM 816 CA LEU B 38 -21.471 14.679 -23.676 1.00 32.57 C ANISOU 816 CA LEU B 38 3988 3845 4541 188 16 -9 C ATOM 817 C LEU B 38 -22.563 14.766 -22.614 1.00 34.44 C ANISOU 817 C LEU B 38 4178 4143 4766 233 7 -30 C ATOM 818 O LEU B 38 -22.293 14.595 -21.418 1.00 31.03 O ANISOU 818 O LEU B 38 3738 3699 4352 255 26 -24 O ATOM 819 CB LEU B 38 -21.022 16.075 -24.092 1.00 30.67 C ANISOU 819 CB LEU B 38 3790 3570 4294 233 -49 7 C ATOM 820 CG LEU B 38 -19.955 16.153 -25.187 1.00 36.32 C ANISOU 820 CG LEU B 38 4553 4228 5021 196 -48 31 C ATOM 821 CD1 LEU B 38 -19.606 17.612 -25.451 1.00 33.79 C ANISOU 821 CD1 LEU B 38 4269 3878 4693 247 -118 47 C ATOM 822 CD2 LEU B 38 -18.717 15.343 -24.820 1.00 33.34 C ANISOU 822 CD2 LEU B 38 4198 3790 4679 158 8 57 C ATOM 0 H LEU B 38 -21.983 14.376 -25.573 1.00 29.24 H new ATOM 0 HA LEU B 38 -20.714 14.208 -23.293 1.00 32.57 H new ATOM 0 HB2 LEU B 38 -21.802 16.567 -24.393 1.00 30.67 H new ATOM 0 HB3 LEU B 38 -20.684 16.532 -23.306 1.00 30.67 H new ATOM 0 HG LEU B 38 -20.313 15.763 -26.000 1.00 36.32 H new ATOM 0 HD11 LEU B 38 -18.930 17.663 -26.145 1.00 33.79 H new ATOM 0 HD12 LEU B 38 -20.401 18.088 -25.739 1.00 33.79 H new ATOM 0 HD13 LEU B 38 -19.265 18.016 -24.638 1.00 33.79 H new ATOM 0 HD21 LEU B 38 -18.062 15.413 -25.532 1.00 33.34 H new ATOM 0 HD22 LEU B 38 -18.337 15.687 -23.997 1.00 33.34 H new ATOM 0 HD23 LEU B 38 -18.963 14.413 -24.698 1.00 33.34 H new ATOM 823 N LYS B 39 -23.808 14.989 -23.028 1.00 27.99 N ANISOU 823 N LYS B 39 3325 3392 3916 246 -20 -54 N ATOM 824 CA LYS B 39 -24.873 15.093 -22.030 1.00 28.53 C ANISOU 824 CA LYS B 39 3347 3522 3972 292 -28 -71 C ATOM 825 C LYS B 39 -25.172 13.754 -21.362 1.00 29.37 C ANISOU 825 C LYS B 39 3411 3656 4091 253 36 -80 C ATOM 826 O LYS B 39 -25.672 13.743 -20.233 1.00 31.35 O ANISOU 826 O LYS B 39 3630 3939 4342 292 40 -86 O ATOM 827 CB LYS B 39 -26.128 15.699 -22.661 1.00 32.55 C ANISOU 827 CB LYS B 39 3827 4096 4442 317 -74 -91 C ATOM 828 CG LYS B 39 -25.922 17.154 -23.038 1.00 38.19 C ANISOU 828 CG LYS B 39 4579 4788 5143 372 -142 -84 C ATOM 829 CD LYS B 39 -27.177 17.824 -23.548 1.00 43.91 C ANISOU 829 CD LYS B 39 5275 5579 5830 404 -188 -102 C ATOM 830 CE LYS B 39 -26.973 19.328 -23.642 1.00 40.74 C ANISOU 830 CE LYS B 39 4911 5153 5417 470 -257 -94 C ATOM 831 NZ LYS B 39 -28.263 20.052 -23.818 1.00 46.16 N ANISOU 831 NZ LYS B 39 5565 5908 6066 518 -303 -112 N ATOM 0 H LYS B 39 -24.053 15.080 -23.847 1.00 27.99 H new ATOM 0 HA LYS B 39 -24.564 15.685 -21.326 1.00 28.53 H new ATOM 0 HB2 LYS B 39 -26.370 15.191 -23.451 1.00 32.55 H new ATOM 0 HB3 LYS B 39 -26.869 15.628 -22.040 1.00 32.55 H new ATOM 0 HG2 LYS B 39 -25.596 17.639 -22.264 1.00 38.19 H new ATOM 0 HG3 LYS B 39 -25.233 17.211 -23.719 1.00 38.19 H new ATOM 0 HD2 LYS B 39 -27.409 17.468 -24.420 1.00 43.91 H new ATOM 0 HD3 LYS B 39 -27.919 17.629 -22.955 1.00 43.91 H new ATOM 0 HE2 LYS B 39 -26.531 19.645 -22.839 1.00 40.74 H new ATOM 0 HE3 LYS B 39 -26.385 19.529 -24.387 1.00 40.74 H new ATOM 0 HZ1 LYS B 39 -28.106 20.861 -24.153 1.00 46.16 H new ATOM 0 HZ2 LYS B 39 -28.786 19.596 -24.376 1.00 46.16 H new ATOM 0 HZ3 LYS B 39 -28.669 20.131 -23.030 1.00 46.16 H new ATOM 832 N SER B 40 -24.822 12.631 -21.994 1.00 24.41 N ANISOU 832 N SER B 40 2786 3014 3476 179 86 -79 N ATOM 833 CA SER B 40 -25.004 11.327 -21.357 1.00 30.75 C ANISOU 833 CA SER B 40 3553 3835 4294 138 148 -85 C ATOM 834 C SER B 40 -24.101 11.125 -20.140 1.00 34.02 C ANISOU 834 C SER B 40 3981 4205 4742 154 177 -67 C ATOM 835 O SER B 40 -24.349 10.205 -19.355 1.00 31.33 O ANISOU 835 O SER B 40 3606 3886 4413 136 222 -72 O ATOM 836 CB SER B 40 -24.795 10.192 -22.359 1.00 34.83 C ANISOU 836 CB SER B 40 4076 4342 4816 55 193 -88 C ATOM 837 OG SER B 40 -23.427 10.020 -22.658 1.00 31.98 O ANISOU 837 OG SER B 40 3767 3905 4481 27 216 -66 O ATOM 0 H SER B 40 -24.481 12.603 -22.783 1.00 24.41 H new ATOM 0 HA SER B 40 -25.920 11.309 -21.040 1.00 30.75 H new ATOM 0 HB2 SER B 40 -25.156 9.367 -21.997 1.00 34.83 H new ATOM 0 HB3 SER B 40 -25.285 10.382 -23.174 1.00 34.83 H new ATOM 0 HG SER B 40 -23.067 10.771 -22.767 1.00 31.98 H new ATOM 838 N VAL B 41 -23.035 11.907 -19.985 1.00 31.84 N ANISOU 838 N VAL B 41 3753 3864 4481 182 155 -45 N ATOM 839 CA VAL B 41 -22.222 11.809 -18.777 1.00 33.65 C ANISOU 839 CA VAL B 41 3994 4053 4739 202 177 -28 C ATOM 840 C VAL B 41 -22.346 13.074 -17.926 1.00 32.73 C ANISOU 840 C VAL B 41 3886 3937 4614 285 121 -25 C ATOM 841 O VAL B 41 -21.480 13.369 -17.109 1.00 34.39 O ANISOU 841 O VAL B 41 4123 4097 4845 310 121 -6 O ATOM 842 CB VAL B 41 -20.758 11.475 -19.107 1.00 33.13 C ANISOU 842 CB VAL B 41 3977 3907 4704 161 206 0 C ATOM 843 CG1 VAL B 41 -20.676 10.065 -19.647 1.00 27.50 C ANISOU 843 CG1 VAL B 41 3251 3196 4001 84 271 -4 C ATOM 844 CG2 VAL B 41 -20.150 12.464 -20.091 1.00 33.77 C ANISOU 844 CG2 VAL B 41 4106 3946 4778 171 159 15 C ATOM 0 H VAL B 41 -22.769 12.491 -20.557 1.00 31.84 H new ATOM 0 HA VAL B 41 -22.564 11.072 -18.248 1.00 33.65 H new ATOM 0 HB VAL B 41 -20.241 11.543 -18.289 1.00 33.13 H new ATOM 0 HG11 VAL B 41 -19.753 9.852 -19.856 1.00 27.50 H new ATOM 0 HG12 VAL B 41 -21.008 9.443 -18.981 1.00 27.50 H new ATOM 0 HG13 VAL B 41 -21.214 9.994 -20.451 1.00 27.50 H new ATOM 0 HG21 VAL B 41 -19.229 12.217 -20.271 1.00 33.77 H new ATOM 0 HG22 VAL B 41 -20.656 12.450 -20.919 1.00 33.77 H new ATOM 0 HG23 VAL B 41 -20.177 13.356 -19.712 1.00 33.77 H new ATOM 845 N GLY B 42 -23.436 13.811 -18.100 1.00 28.31 N ANISOU 845 N GLY B 42 3304 3432 4021 328 75 -44 N ATOM 846 CA GLY B 42 -23.822 14.888 -17.214 1.00 28.26 C ANISOU 846 CA GLY B 42 3297 3440 4001 410 27 -46 C ATOM 847 C GLY B 42 -23.469 16.279 -17.684 1.00 33.10 C ANISOU 847 C GLY B 42 3955 4019 4602 455 -41 -37 C ATOM 848 O GLY B 42 -23.711 17.239 -16.944 1.00 32.89 O ANISOU 848 O GLY B 42 3935 3997 4563 526 -84 -38 O ATOM 0 H GLY B 42 -23.982 13.692 -18.754 1.00 28.31 H new ATOM 0 HA2 GLY B 42 -24.781 14.844 -17.077 1.00 28.26 H new ATOM 0 HA3 GLY B 42 -23.405 14.740 -16.351 1.00 28.26 H new ATOM 849 N ALA B 43 -22.915 16.432 -18.882 1.00 31.85 N ANISOU 849 N ALA B 43 3830 3826 4445 419 -52 -27 N ATOM 850 CA ALA B 43 -22.741 17.783 -19.385 1.00 30.56 C ANISOU 850 CA ALA B 43 3706 3640 4267 463 -119 -20 C ATOM 851 C ALA B 43 -24.116 18.405 -19.561 1.00 33.78 C ANISOU 851 C ALA B 43 4080 4120 4637 508 -161 -45 C ATOM 852 O ALA B 43 -25.106 17.722 -19.831 1.00 39.46 O ANISOU 852 O ALA B 43 4752 4902 5341 483 -138 -65 O ATOM 853 CB ALA B 43 -21.955 17.795 -20.700 1.00 31.93 C ANISOU 853 CB ALA B 43 3916 3768 4447 414 -122 -4 C ATOM 0 H ALA B 43 -22.645 15.798 -19.397 1.00 31.85 H new ATOM 0 HA ALA B 43 -22.223 18.302 -18.750 1.00 30.56 H new ATOM 0 HB1 ALA B 43 -21.856 18.709 -21.010 1.00 31.93 H new ATOM 0 HB2 ALA B 43 -21.078 17.406 -20.557 1.00 31.93 H new ATOM 0 HB3 ALA B 43 -22.433 17.278 -21.367 1.00 31.93 H new ATOM 854 N GLN B 44 -24.186 19.701 -19.368 1.00 35.60 N ANISOU 854 N GLN B 44 4334 4339 4851 575 -224 -42 N ATOM 855 CA GLN B 44 -25.461 20.386 -19.322 1.00 41.71 C ANISOU 855 CA GLN B 44 5078 5179 5589 630 -264 -63 C ATOM 856 C GLN B 44 -25.612 21.463 -20.382 1.00 38.48 C ANISOU 856 C GLN B 44 4695 4767 5157 650 -325 -63 C ATOM 857 O GLN B 44 -26.726 21.685 -20.867 1.00 39.53 O ANISOU 857 O GLN B 44 4796 4963 5262 665 -346 -81 O ATOM 858 CB GLN B 44 -25.632 20.989 -17.923 1.00 44.56 C ANISOU 858 CB GLN B 44 5439 5544 5946 706 -285 -64 C ATOM 859 CG GLN B 44 -26.730 21.969 -17.733 1.00 54.03 C ANISOU 859 CG GLN B 44 6623 6796 7109 780 -337 -80 C ATOM 860 CD GLN B 44 -26.745 22.453 -16.301 1.00 51.12 C ANISOU 860 CD GLN B 44 6260 6422 6739 851 -350 -79 C ATOM 861 OE1 GLN B 44 -26.188 21.798 -15.413 1.00 50.63 O ANISOU 861 OE1 GLN B 44 6198 6337 6703 837 -309 -71 O ATOM 862 NE2 GLN B 44 -27.358 23.602 -16.066 1.00 49.06 N ANISOU 862 NE2 GLN B 44 6008 6182 6449 928 -407 -87 N ATOM 0 H GLN B 44 -23.502 20.211 -19.260 1.00 35.60 H new ATOM 0 HA GLN B 44 -26.154 19.734 -19.511 1.00 41.71 H new ATOM 0 HB2 GLN B 44 -25.768 20.261 -17.297 1.00 44.56 H new ATOM 0 HB3 GLN B 44 -24.799 21.421 -17.679 1.00 44.56 H new ATOM 0 HG2 GLN B 44 -26.612 22.720 -18.335 1.00 54.03 H new ATOM 0 HG3 GLN B 44 -27.581 21.560 -17.953 1.00 54.03 H new ATOM 0 HE21 GLN B 44 -27.734 24.028 -16.711 1.00 49.06 H new ATOM 0 HE22 GLN B 44 -27.380 23.922 -15.268 1.00 49.06 H new ATOM 863 N LYS B 45 -24.517 22.097 -20.782 1.00 31.10 N ANISOU 863 N LYS B 45 3816 3761 4238 649 -353 -41 N ATOM 864 CA LYS B 45 -24.497 23.250 -21.669 1.00 27.84 C ANISOU 864 CA LYS B 45 3435 3334 3807 674 -416 -36 C ATOM 865 C LYS B 45 -24.531 22.799 -23.125 1.00 28.40 C ANISOU 865 C LYS B 45 3503 3414 3874 610 -402 -38 C ATOM 866 O LYS B 45 -24.415 21.612 -23.447 1.00 30.84 O ANISOU 866 O LYS B 45 3793 3730 4195 544 -345 -40 O ATOM 867 CB LYS B 45 -23.208 24.053 -21.471 1.00 32.29 C ANISOU 867 CB LYS B 45 4062 3814 4392 694 -448 -8 C ATOM 868 CG LYS B 45 -22.850 24.540 -20.100 1.00 44.31 C ANISOU 868 CG LYS B 45 5605 5308 5925 750 -464 0 C ATOM 869 CD LYS B 45 -21.353 24.847 -20.175 1.00 48.19 C ANISOU 869 CD LYS B 45 6153 5710 6447 732 -475 35 C ATOM 870 CE LYS B 45 -20.751 25.420 -18.921 1.00 57.42 C ANISOU 870 CE LYS B 45 7354 6834 7630 783 -498 49 C ATOM 871 NZ LYS B 45 -19.387 25.946 -19.241 1.00 58.04 N ANISOU 871 NZ LYS B 45 7490 6829 7733 768 -524 85 N ATOM 0 H LYS B 45 -23.730 21.855 -20.532 1.00 31.10 H new ATOM 0 HA LYS B 45 -25.273 23.793 -21.461 1.00 27.84 H new ATOM 0 HB2 LYS B 45 -22.472 23.506 -21.787 1.00 32.29 H new ATOM 0 HB3 LYS B 45 -23.255 24.828 -22.052 1.00 32.29 H new ATOM 0 HG2 LYS B 45 -23.360 25.330 -19.862 1.00 44.31 H new ATOM 0 HG3 LYS B 45 -23.038 23.868 -19.427 1.00 44.31 H new ATOM 0 HD2 LYS B 45 -20.881 24.030 -20.399 1.00 48.19 H new ATOM 0 HD3 LYS B 45 -21.202 25.470 -20.903 1.00 48.19 H new ATOM 0 HE2 LYS B 45 -21.312 26.130 -18.573 1.00 57.42 H new ATOM 0 HE3 LYS B 45 -20.696 24.739 -18.233 1.00 57.42 H new ATOM 0 HZ1 LYS B 45 -19.170 26.582 -18.658 1.00 58.04 H new ATOM 0 HZ2 LYS B 45 -18.794 25.284 -19.192 1.00 58.04 H new ATOM 0 HZ3 LYS B 45 -19.385 26.285 -20.064 1.00 58.04 H new ATOM 872 N ASP B 46 -24.655 23.778 -24.020 1.00 34.18 N ANISOU 872 N ASP B 46 4258 4144 4587 630 -457 -36 N ATOM 873 CA ASP B 46 -24.517 23.558 -25.455 1.00 30.13 C ANISOU 873 CA ASP B 46 3752 3627 4069 576 -454 -33 C ATOM 874 C ASP B 46 -23.201 24.075 -26.030 1.00 35.43 C ANISOU 874 C ASP B 46 4482 4219 4760 561 -475 -3 C ATOM 875 O ASP B 46 -22.885 23.751 -27.179 1.00 30.23 O ANISOU 875 O ASP B 46 3835 3550 4103 510 -463 3 O ATOM 876 CB ASP B 46 -25.710 24.166 -26.206 1.00 32.04 C ANISOU 876 CB ASP B 46 3970 3931 4274 600 -497 -54 C ATOM 877 CG ASP B 46 -26.996 23.377 -25.977 1.00 46.02 C ANISOU 877 CG ASP B 46 5677 5784 6025 590 -466 -80 C ATOM 878 OD1 ASP B 46 -27.050 22.607 -25.000 1.00 45.17 O ANISOU 878 OD1 ASP B 46 5545 5687 5932 585 -422 -84 O ATOM 879 OD2 ASP B 46 -27.944 23.500 -26.777 1.00 53.68 O ANISOU 879 OD2 ASP B 46 6621 6808 6968 586 -484 -95 O ATOM 0 H ASP B 46 -24.823 24.594 -23.808 1.00 34.18 H new ATOM 0 HA ASP B 46 -24.507 22.597 -25.583 1.00 30.13 H new ATOM 0 HB2 ASP B 46 -25.839 25.083 -25.917 1.00 32.04 H new ATOM 0 HB3 ASP B 46 -25.513 24.193 -27.155 1.00 32.04 H new ATOM 880 N THR B 47 -22.489 24.952 -25.307 1.00 27.80 N ANISOU 880 N THR B 47 3554 3202 3807 609 -511 16 N ATOM 881 CA THR B 47 -21.232 25.548 -25.743 1.00 29.20 C ANISOU 881 CA THR B 47 3786 3304 4004 602 -537 49 C ATOM 882 C THR B 47 -20.188 25.369 -24.642 1.00 33.35 C ANISOU 882 C THR B 47 4337 3771 4563 606 -517 72 C ATOM 883 O THR B 47 -20.505 25.463 -23.451 1.00 33.62 O ANISOU 883 O THR B 47 4359 3818 4597 649 -519 63 O ATOM 884 CB THR B 47 -21.422 27.028 -26.100 1.00 28.65 C ANISOU 884 CB THR B 47 3745 3227 3914 659 -617 53 C ATOM 885 OG1 THR B 47 -21.982 27.726 -24.980 1.00 36.21 O ANISOU 885 OG1 THR B 47 4698 4202 4859 732 -651 40 O ATOM 886 CG2 THR B 47 -22.397 27.153 -27.276 1.00 28.31 C ANISOU 886 CG2 THR B 47 3677 3240 3839 648 -634 32 C ATOM 0 H THR B 47 -22.737 25.219 -24.528 1.00 27.80 H new ATOM 0 HA THR B 47 -20.923 25.100 -26.546 1.00 29.20 H new ATOM 0 HB THR B 47 -20.560 27.406 -26.335 1.00 28.65 H new ATOM 0 HG1 THR B 47 -22.084 28.536 -25.177 1.00 36.21 H new ATOM 0 HG21 THR B 47 -22.516 28.089 -27.500 1.00 28.31 H new ATOM 0 HG22 THR B 47 -22.040 26.680 -28.044 1.00 28.31 H new ATOM 0 HG23 THR B 47 -23.253 26.769 -27.029 1.00 28.31 H new ATOM 887 N TYR B 48 -18.950 25.076 -25.041 1.00 30.61 N ANISOU 887 N TYR B 48 4024 3364 4245 562 -496 104 N ATOM 888 CA TYR B 48 -17.897 24.684 -24.110 1.00 27.48 C ANISOU 888 CA TYR B 48 3646 2913 3883 552 -466 129 C ATOM 889 C TYR B 48 -16.563 25.298 -24.512 1.00 32.05 C ANISOU 889 C TYR B 48 4278 3414 4483 544 -494 171 C ATOM 890 O TYR B 48 -16.373 25.749 -25.643 1.00 32.38 O ANISOU 890 O TYR B 48 4340 3446 4518 530 -520 182 O ATOM 891 CB TYR B 48 -17.736 23.163 -24.051 1.00 29.87 C ANISOU 891 CB TYR B 48 3921 3226 4203 488 -383 125 C ATOM 892 CG TYR B 48 -18.980 22.418 -23.657 1.00 32.60 C ANISOU 892 CG TYR B 48 4212 3645 4531 488 -350 87 C ATOM 893 CD1 TYR B 48 -19.966 22.121 -24.591 1.00 33.90 C ANISOU 893 CD1 TYR B 48 4345 3867 4667 466 -346 61 C ATOM 894 CD2 TYR B 48 -19.197 22.058 -22.335 1.00 36.20 C ANISOU 894 CD2 TYR B 48 4646 4113 4994 511 -328 78 C ATOM 895 CE1 TYR B 48 -21.120 21.449 -24.219 1.00 30.08 C ANISOU 895 CE1 TYR B 48 3808 3452 4167 464 -318 30 C ATOM 896 CE2 TYR B 48 -20.351 21.395 -21.954 1.00 34.87 C ANISOU 896 CE2 TYR B 48 4425 4015 4809 512 -299 46 C ATOM 897 CZ TYR B 48 -21.300 21.092 -22.897 1.00 34.87 C ANISOU 897 CZ TYR B 48 4393 4071 4784 488 -294 23 C ATOM 898 OH TYR B 48 -22.441 20.427 -22.513 1.00 39.54 O ANISOU 898 OH TYR B 48 4931 4732 5359 487 -267 -5 O ATOM 0 H TYR B 48 -18.698 25.100 -25.863 1.00 30.61 H new ATOM 0 HA TYR B 48 -18.160 25.010 -23.235 1.00 27.48 H new ATOM 0 HB2 TYR B 48 -17.445 22.846 -24.920 1.00 29.87 H new ATOM 0 HB3 TYR B 48 -17.031 22.948 -23.420 1.00 29.87 H new ATOM 0 HD1 TYR B 48 -19.850 22.377 -25.478 1.00 33.90 H new ATOM 0 HD2 TYR B 48 -18.556 22.266 -21.694 1.00 36.20 H new ATOM 0 HE1 TYR B 48 -21.767 21.241 -24.854 1.00 30.08 H new ATOM 0 HE2 TYR B 48 -20.482 21.157 -21.065 1.00 34.87 H new ATOM 0 HH TYR B 48 -23.075 20.641 -23.021 1.00 39.54 H new ATOM 899 N THR B 49 -15.607 25.268 -23.590 1.00 30.79 N ANISOU 899 N THR B 49 4144 3203 4354 549 -485 197 N ATOM 900 CA THR B 49 -14.248 25.431 -24.068 1.00 27.72 C ANISOU 900 CA THR B 49 3796 2743 3992 519 -488 242 C ATOM 901 C THR B 49 -13.790 24.122 -24.694 1.00 29.67 C ANISOU 901 C THR B 49 4030 2987 4256 445 -413 250 C ATOM 902 O THR B 49 -14.323 23.037 -24.418 1.00 31.17 O ANISOU 902 O THR B 49 4183 3217 4445 419 -356 226 O ATOM 903 CB THR B 49 -13.280 25.832 -22.942 1.00 28.36 C ANISOU 903 CB THR B 49 3910 2764 4100 544 -505 273 C ATOM 904 OG1 THR B 49 -13.240 24.787 -21.965 1.00 31.01 O ANISOU 904 OG1 THR B 49 4220 3108 4453 526 -444 266 O ATOM 905 CG2 THR B 49 -13.710 27.121 -22.284 1.00 39.69 C ANISOU 905 CG2 THR B 49 5363 4198 5518 618 -580 264 C ATOM 0 H THR B 49 -15.713 25.162 -22.743 1.00 30.79 H new ATOM 0 HA THR B 49 -14.241 26.147 -24.722 1.00 27.72 H new ATOM 0 HB THR B 49 -12.400 25.968 -23.326 1.00 28.36 H new ATOM 0 HG1 THR B 49 -12.711 25.000 -21.348 1.00 31.01 H new ATOM 0 HG21 THR B 49 -13.084 27.350 -21.580 1.00 39.69 H new ATOM 0 HG22 THR B 49 -13.727 27.832 -22.944 1.00 39.69 H new ATOM 0 HG23 THR B 49 -14.596 27.011 -21.905 1.00 39.69 H new ATOM 906 N MET B 50 -12.775 24.229 -25.545 1.00 35.42 N ANISOU 906 N MET B 50 4169 4953 4337 214 -393 0 N ATOM 907 CA MET B 50 -12.183 23.034 -26.126 1.00 37.11 C ANISOU 907 CA MET B 50 4468 5155 4476 173 -356 -7 C ATOM 908 C MET B 50 -11.682 22.085 -25.035 1.00 32.79 C ANISOU 908 C MET B 50 3928 4622 3908 220 -282 -41 C ATOM 909 O MET B 50 -11.848 20.866 -25.132 1.00 35.53 O ANISOU 909 O MET B 50 4318 4965 4218 189 -261 -40 O ATOM 910 CB MET B 50 -11.052 23.448 -27.061 1.00 46.51 C ANISOU 910 CB MET B 50 5716 6330 5624 151 -359 -15 C ATOM 911 CG MET B 50 -10.564 22.346 -27.943 1.00 50.93 C ANISOU 911 CG MET B 50 6365 6877 6108 97 -335 -21 C ATOM 912 SD MET B 50 -11.855 21.986 -29.146 1.00 51.54 S ANISOU 912 SD MET B 50 6468 6940 6175 3 -405 28 S ATOM 913 CE MET B 50 -11.323 20.353 -29.663 1.00 58.39 C ANISOU 913 CE MET B 50 7431 7797 6959 -36 -358 6 C ATOM 0 H MET B 50 -12.420 24.972 -25.795 1.00 35.42 H new ATOM 0 HA MET B 50 -12.856 22.553 -26.633 1.00 37.11 H new ATOM 0 HB2 MET B 50 -11.355 24.184 -27.615 1.00 46.51 H new ATOM 0 HB3 MET B 50 -10.310 23.779 -26.531 1.00 46.51 H new ATOM 0 HG2 MET B 50 -9.745 22.608 -28.392 1.00 50.93 H new ATOM 0 HG3 MET B 50 -10.359 21.556 -27.418 1.00 50.93 H new ATOM 0 HE1 MET B 50 -11.936 20.010 -30.332 1.00 58.39 H new ATOM 0 HE2 MET B 50 -10.431 20.407 -30.040 1.00 58.39 H new ATOM 0 HE3 MET B 50 -11.314 19.758 -28.897 1.00 58.39 H new ATOM 914 N LYS B 51 -11.059 22.625 -23.988 1.00 28.61 N ANISOU 914 N LYS B 51 3358 4106 3406 293 -247 -70 N ATOM 915 CA LYS B 51 -10.621 21.779 -22.884 1.00 31.13 C ANISOU 915 CA LYS B 51 3681 4438 3710 336 -182 -100 C ATOM 916 C LYS B 51 -11.801 21.033 -22.264 1.00 27.23 C ANISOU 916 C LYS B 51 3152 3963 3233 326 -181 -83 C ATOM 917 O LYS B 51 -11.702 19.838 -21.968 1.00 36.51 O ANISOU 917 O LYS B 51 4362 5137 4372 314 -147 -90 O ATOM 918 CB LYS B 51 -9.892 22.626 -21.836 1.00 33.13 C ANISOU 918 CB LYS B 51 3889 4704 3996 416 -152 -129 C ATOM 919 CG LYS B 51 -9.074 21.817 -20.830 1.00 37.67 C ANISOU 919 CG LYS B 51 4482 5283 4547 459 -84 -163 C ATOM 0 H LYS B 51 -10.884 23.462 -23.899 1.00 28.61 H new ATOM 0 HA LYS B 51 -10.005 21.113 -23.228 1.00 31.13 H new ATOM 0 HB2 LYS B 51 -9.302 23.247 -22.291 1.00 33.13 H new ATOM 0 HB3 LYS B 51 -10.545 23.157 -21.353 1.00 33.13 H new ATOM 920 N GLU B 52 -12.930 21.719 -22.075 1.00 34.97 N ANISOU 920 N GLU B 52 4060 4959 4266 327 -223 -61 N ATOM 921 CA GLU B 52 -14.111 21.088 -21.484 1.00 32.44 C ANISOU 921 CA GLU B 52 3698 4663 3964 315 -224 -43 C ATOM 922 C GLU B 52 -14.607 19.913 -22.325 1.00 39.15 C ANISOU 922 C GLU B 52 4607 5496 4771 241 -241 -15 C ATOM 923 O GLU B 52 -14.877 18.826 -21.798 1.00 32.82 O ANISOU 923 O GLU B 52 3816 4705 3950 232 -213 -13 O ATOM 924 CB GLU B 52 -15.228 22.114 -21.335 1.00 35.59 C ANISOU 924 CB GLU B 52 4011 5080 4432 325 -273 -26 C ATOM 925 CG GLU B 52 -15.230 22.923 -20.067 1.00 44.91 C ANISOU 925 CG GLU B 52 5110 6292 5660 401 -251 -54 C ATOM 926 CD GLU B 52 -16.518 23.718 -19.917 1.00 56.84 C ANISOU 926 CD GLU B 52 6534 7824 7241 405 -299 -38 C ATOM 927 OE1 GLU B 52 -16.743 24.630 -20.740 1.00 57.14 O ANISOU 927 OE1 GLU B 52 6560 7839 7313 389 -360 -23 O ATOM 928 OE2 GLU B 52 -17.319 23.413 -18.999 1.00 59.25 O ANISOU 928 OE2 GLU B 52 6780 8167 7567 422 -279 -41 O ATOM 0 H GLU B 52 -13.032 22.548 -22.281 1.00 34.97 H new ATOM 0 HA GLU B 52 -13.856 20.747 -20.613 1.00 32.44 H new ATOM 0 HB2 GLU B 52 -15.180 22.726 -22.086 1.00 35.59 H new ATOM 0 HB3 GLU B 52 -16.077 21.650 -21.401 1.00 35.59 H new ATOM 0 HG2 GLU B 52 -15.122 22.333 -19.305 1.00 44.91 H new ATOM 0 HG3 GLU B 52 -14.472 23.529 -20.067 1.00 44.91 H new ATOM 929 N VAL B 53 -14.758 20.113 -23.637 1.00 31.10 N ANISOU 929 N VAL B 53 3627 4450 3739 185 -290 8 N ATOM 930 CA VAL B 53 -15.271 19.024 -24.469 1.00 22.28 C ANISOU 930 CA VAL B 53 2568 3315 2583 113 -310 35 C ATOM 931 C VAL B 53 -14.348 17.816 -24.412 1.00 26.41 C ANISOU 931 C VAL B 53 3166 3826 3045 110 -259 9 C ATOM 932 O VAL B 53 -14.815 16.673 -24.321 1.00 30.69 O ANISOU 932 O VAL B 53 3731 4366 3565 80 -254 21 O ATOM 933 CB VAL B 53 -15.511 19.485 -25.925 1.00 35.58 C ANISOU 933 CB VAL B 53 4288 4973 4259 51 -372 63 C ATOM 934 CG1 VAL B 53 -16.507 20.601 -25.966 1.00 38.17 C ANISOU 934 CG1 VAL B 53 4540 5307 4654 51 -429 89 C ATOM 935 CG2 VAL B 53 -14.247 19.907 -26.592 1.00 44.13 C ANISOU 935 CG2 VAL B 53 5425 6037 5304 53 -360 40 C ATOM 0 H VAL B 53 -14.577 20.844 -24.052 1.00 31.10 H new ATOM 0 HA VAL B 53 -16.131 18.758 -24.109 1.00 22.28 H new ATOM 0 HB VAL B 53 -15.863 18.723 -26.412 1.00 35.58 H new ATOM 0 HG11 VAL B 53 -16.646 20.878 -26.885 1.00 38.17 H new ATOM 0 HG12 VAL B 53 -17.348 20.298 -25.590 1.00 38.17 H new ATOM 0 HG13 VAL B 53 -16.174 21.352 -25.450 1.00 38.17 H new ATOM 0 HG21 VAL B 53 -14.438 20.188 -27.500 1.00 44.13 H new ATOM 0 HG22 VAL B 53 -13.853 20.645 -26.102 1.00 44.13 H new ATOM 0 HG23 VAL B 53 -13.626 19.162 -26.609 1.00 44.13 H new ATOM 936 N LEU B 54 -13.026 18.042 -24.456 1.00 29.56 N ANISOU 936 N LEU B 54 3601 4214 3417 142 -223 -26 N ATOM 937 CA LEU B 54 -12.095 16.922 -24.441 1.00 28.35 C ANISOU 937 CA LEU B 54 3516 4045 3209 141 -178 -55 C ATOM 938 C LEU B 54 -12.208 16.148 -23.140 1.00 24.69 C ANISOU 938 C LEU B 54 3028 3598 2755 176 -138 -66 C ATOM 939 O LEU B 54 -12.176 14.908 -23.142 1.00 26.20 O ANISOU 939 O LEU B 54 3266 3777 2913 151 -125 -68 O ATOM 940 CB LEU B 54 -10.659 17.412 -24.652 1.00 28.27 C ANISOU 940 CB LEU B 54 3539 4024 3177 173 -146 -93 C ATOM 941 CG LEU B 54 -10.354 17.974 -26.055 1.00 39.54 C ANISOU 941 CG LEU B 54 5009 5435 4578 127 -180 -85 C ATOM 942 CD1 LEU B 54 -9.005 18.657 -26.079 1.00 41.92 C ANISOU 942 CD1 LEU B 54 5324 5735 4869 166 -149 -118 C ATOM 943 CD2 LEU B 54 -10.446 16.908 -27.134 1.00 36.29 C ANISOU 943 CD2 LEU B 54 4675 5002 4111 59 -193 -80 C ATOM 0 H LEU B 54 -12.662 18.820 -24.494 1.00 29.56 H new ATOM 0 HA LEU B 54 -12.325 16.326 -25.171 1.00 28.35 H new ATOM 0 HB2 LEU B 54 -10.468 18.100 -23.996 1.00 28.27 H new ATOM 0 HB3 LEU B 54 -10.053 16.676 -24.476 1.00 28.27 H new ATOM 0 HG LEU B 54 -11.036 18.635 -26.253 1.00 39.54 H new ATOM 0 HD11 LEU B 54 -8.833 19.003 -26.969 1.00 41.92 H new ATOM 0 HD12 LEU B 54 -9.001 19.389 -25.442 1.00 41.92 H new ATOM 0 HD13 LEU B 54 -8.315 18.018 -25.842 1.00 41.92 H new ATOM 0 HD21 LEU B 54 -10.248 17.303 -27.997 1.00 36.29 H new ATOM 0 HD22 LEU B 54 -9.807 16.202 -26.947 1.00 36.29 H new ATOM 0 HD23 LEU B 54 -11.342 16.537 -27.147 1.00 36.29 H new ATOM 944 N PHE B 55 -12.357 16.857 -22.015 1.00 25.82 N ANISOU 944 N PHE B 55 3098 3771 2943 232 -121 -72 N ATOM 945 CA PHE B 55 -12.500 16.154 -20.749 1.00 28.56 C ANISOU 945 CA PHE B 55 3419 4139 3295 261 -84 -80 C ATOM 946 C PHE B 55 -13.812 15.386 -20.699 1.00 26.06 C ANISOU 946 C PHE B 55 3085 3835 2983 214 -111 -41 C ATOM 947 O PHE B 55 -13.839 14.222 -20.278 1.00 26.06 O ANISOU 947 O PHE B 55 3111 3833 2958 199 -94 -40 O ATOM 948 CB PHE B 55 -12.402 17.133 -19.577 1.00 27.72 C ANISOU 948 CB PHE B 55 3236 4063 3232 330 -61 -96 C ATOM 949 CG PHE B 55 -10.988 17.399 -19.127 1.00 31.47 C ANISOU 949 CG PHE B 55 3733 4527 3696 385 -16 -137 C ATOM 950 CD1 PHE B 55 -10.201 16.367 -18.653 1.00 32.30 C ANISOU 950 CD1 PHE B 55 3886 4620 3768 394 25 -159 C ATOM 951 CD2 PHE B 55 -10.463 18.685 -19.139 1.00 33.44 C ANISOU 951 CD2 PHE B 55 3955 4779 3973 427 -20 -153 C ATOM 952 CE1 PHE B 55 -8.904 16.603 -18.218 1.00 38.00 C ANISOU 952 CE1 PHE B 55 4626 5330 4483 444 64 -196 C ATOM 953 CE2 PHE B 55 -9.171 18.923 -18.699 1.00 35.09 C ANISOU 953 CE2 PHE B 55 4182 4977 4173 477 20 -188 C ATOM 954 CZ PHE B 55 -8.394 17.882 -18.242 1.00 37.77 C ANISOU 954 CZ PHE B 55 4568 5304 4480 486 63 -210 C ATOM 0 H PHE B 55 -12.377 17.715 -21.968 1.00 25.82 H new ATOM 0 HA PHE B 55 -11.775 15.514 -20.675 1.00 28.56 H new ATOM 0 HB2 PHE B 55 -12.815 17.973 -19.832 1.00 27.72 H new ATOM 0 HB3 PHE B 55 -12.910 16.782 -18.829 1.00 27.72 H new ATOM 0 HD1 PHE B 55 -10.545 15.503 -18.625 1.00 32.30 H new ATOM 0 HD2 PHE B 55 -10.983 19.392 -19.445 1.00 33.44 H new ATOM 0 HE1 PHE B 55 -8.380 15.898 -17.911 1.00 38.00 H new ATOM 0 HE2 PHE B 55 -8.828 19.787 -18.712 1.00 35.09 H new ATOM 0 HZ PHE B 55 -7.526 18.043 -17.950 1.00 37.77 H new ATOM 955 N TYR B 56 -14.914 16.007 -21.139 1.00 24.67 N ANISOU 955 N TYR B 56 2863 3670 2840 187 -158 -9 N ATOM 956 CA TYR B 56 -16.186 15.290 -21.177 1.00 24.25 C ANISOU 956 CA TYR B 56 2793 3628 2793 138 -188 31 C ATOM 957 C TYR B 56 -16.122 14.086 -22.112 1.00 28.60 C ANISOU 957 C TYR B 56 3430 4143 3293 75 -205 44 C ATOM 958 O TYR B 56 -16.684 13.024 -21.809 1.00 27.46 O ANISOU 958 O TYR B 56 3295 4003 3137 46 -207 64 O ATOM 959 CB TYR B 56 -17.320 16.226 -21.596 1.00 24.19 C ANISOU 959 CB TYR B 56 2724 3634 2835 120 -240 61 C ATOM 960 CG TYR B 56 -17.971 16.945 -20.435 1.00 27.56 C ANISOU 960 CG TYR B 56 3049 4107 3316 168 -228 58 C ATOM 961 CD1 TYR B 56 -17.889 18.332 -20.316 1.00 29.75 C ANISOU 961 CD1 TYR B 56 3270 4393 3640 213 -240 42 C ATOM 962 CD2 TYR B 56 -18.692 16.244 -19.474 1.00 32.30 C ANISOU 962 CD2 TYR B 56 3609 4744 3922 166 -209 70 C ATOM 963 CE1 TYR B 56 -18.507 19.002 -19.246 1.00 33.11 C ANISOU 963 CE1 TYR B 56 3600 4863 4117 259 -230 33 C ATOM 964 CE2 TYR B 56 -19.311 16.904 -18.404 1.00 36.89 C ANISOU 964 CE2 TYR B 56 4094 5374 4549 209 -195 63 C ATOM 965 CZ TYR B 56 -19.208 18.276 -18.302 1.00 33.74 C ANISOU 965 CZ TYR B 56 3640 4983 4196 257 -204 42 C ATOM 966 OH TYR B 56 -19.802 18.931 -17.257 1.00 43.76 O ANISOU 966 OH TYR B 56 4815 6302 5512 302 -190 29 O ATOM 0 H TYR B 56 -14.943 16.822 -21.412 1.00 24.67 H new ATOM 0 HA TYR B 56 -16.364 14.963 -20.281 1.00 24.25 H new ATOM 0 HB2 TYR B 56 -16.973 16.883 -22.220 1.00 24.19 H new ATOM 0 HB3 TYR B 56 -17.994 15.714 -22.069 1.00 24.19 H new ATOM 0 HD1 TYR B 56 -17.419 18.820 -20.953 1.00 29.75 H new ATOM 0 HD2 TYR B 56 -18.765 15.319 -19.543 1.00 32.30 H new ATOM 0 HE1 TYR B 56 -18.445 19.927 -19.174 1.00 33.11 H new ATOM 0 HE2 TYR B 56 -19.787 16.421 -17.768 1.00 36.89 H new ATOM 0 HH TYR B 56 -20.192 18.375 -16.763 1.00 43.76 H new ATOM 967 N LEU B 57 -15.453 14.234 -23.261 1.00 27.66 N ANISOU 967 N LEU B 57 3375 3990 3145 53 -219 33 N ATOM 968 CA LEU B 57 -15.375 13.129 -24.213 1.00 27.67 C ANISOU 968 CA LEU B 57 3460 3957 3097 -6 -237 40 C ATOM 969 C LEU B 57 -14.567 11.960 -23.659 1.00 25.27 C ANISOU 969 C LEU B 57 3204 3641 2758 9 -194 11 C ATOM 970 O LEU B 57 -14.950 10.795 -23.841 1.00 25.92 O ANISOU 970 O LEU B 57 3326 3708 2816 -32 -209 27 O ATOM 971 CB LEU B 57 -14.774 13.626 -25.528 1.00 21.92 C ANISOU 971 CB LEU B 57 2786 3201 2341 -32 -257 31 C ATOM 972 CG LEU B 57 -14.653 12.602 -26.651 1.00 35.79 C ANISOU 972 CG LEU B 57 4631 4923 4043 -93 -276 32 C ATOM 973 CD1 LEU B 57 -15.998 11.970 -26.988 1.00 35.68 C ANISOU 973 CD1 LEU B 57 4615 4904 4036 -153 -326 81 C ATOM 974 CD2 LEU B 57 -14.058 13.317 -27.871 1.00 29.42 C ANISOU 974 CD2 LEU B 57 3867 4101 3211 -116 -293 22 C ATOM 0 H LEU B 57 -15.046 14.952 -23.502 1.00 27.66 H new ATOM 0 HA LEU B 57 -16.274 12.803 -24.373 1.00 27.67 H new ATOM 0 HB2 LEU B 57 -15.314 14.365 -25.848 1.00 21.92 H new ATOM 0 HB3 LEU B 57 -13.890 13.980 -25.343 1.00 21.92 H new ATOM 0 HG LEU B 57 -14.076 11.875 -26.370 1.00 35.79 H new ATOM 0 HD11 LEU B 57 -15.883 11.326 -27.704 1.00 35.68 H new ATOM 0 HD12 LEU B 57 -16.350 11.521 -26.204 1.00 35.68 H new ATOM 0 HD13 LEU B 57 -16.618 12.660 -27.271 1.00 35.68 H new ATOM 0 HD21 LEU B 57 -13.969 12.688 -28.604 1.00 29.42 H new ATOM 0 HD22 LEU B 57 -14.643 14.043 -28.138 1.00 29.42 H new ATOM 0 HD23 LEU B 57 -13.185 13.673 -27.644 1.00 29.42 H new ATOM 975 N GLY B 58 -13.437 12.241 -23.011 1.00 26.71 N ANISOU 975 N GLY B 58 3386 3826 2938 68 -145 -30 N ATOM 976 CA GLY B 58 -12.705 11.172 -22.352 1.00 24.41 C ANISOU 976 CA GLY B 58 3131 3522 2622 86 -108 -57 C ATOM 977 C GLY B 58 -13.538 10.498 -21.281 1.00 24.06 C ANISOU 977 C GLY B 58 3045 3501 2594 82 -107 -31 C ATOM 978 O GLY B 58 -13.536 9.273 -21.156 1.00 25.86 O ANISOU 978 O GLY B 58 3316 3713 2799 57 -110 -28 O ATOM 0 H GLY B 58 -13.088 13.024 -22.944 1.00 26.71 H new ATOM 0 HA2 GLY B 58 -12.430 10.514 -23.010 1.00 24.41 H new ATOM 0 HA3 GLY B 58 -11.896 11.531 -21.955 1.00 24.41 H new ATOM 979 N GLN B 59 -14.267 11.293 -20.497 1.00 24.60 N ANISOU 979 N GLN B 59 3030 3612 2704 107 -106 -12 N ATOM 980 CA GLN B 59 -15.161 10.731 -19.485 1.00 25.26 C ANISOU 980 CA GLN B 59 3067 3729 2803 99 -105 15 C ATOM 981 C GLN B 59 -16.198 9.814 -20.118 1.00 25.56 C ANISOU 981 C GLN B 59 3128 3755 2828 28 -151 59 C ATOM 982 O GLN B 59 -16.494 8.732 -19.589 1.00 27.52 O ANISOU 982 O GLN B 59 3387 4006 3063 5 -152 75 O ATOM 983 CB GLN B 59 -15.840 11.874 -18.725 1.00 25.03 C ANISOU 983 CB GLN B 59 2940 3748 2821 134 -99 24 C ATOM 984 CG GLN B 59 -16.760 11.468 -17.609 1.00 30.54 C ANISOU 984 CG GLN B 59 3577 4492 3535 130 -91 49 C ATOM 985 CD GLN B 59 -17.079 12.655 -16.714 1.00 28.47 C ANISOU 985 CD GLN B 59 3222 4279 3316 183 -71 39 C ATOM 986 OE1 GLN B 59 -16.180 13.290 -16.189 1.00 27.61 O ANISOU 986 OE1 GLN B 59 3104 4173 3213 240 -36 2 O ATOM 987 NE2 GLN B 59 -18.356 12.966 -16.560 1.00 30.06 N ANISOU 987 NE2 GLN B 59 3353 4518 3550 164 -95 69 N ATOM 0 H GLN B 59 -14.259 12.152 -20.534 1.00 24.60 H new ATOM 0 HA GLN B 59 -14.641 10.196 -18.865 1.00 25.26 H new ATOM 0 HB2 GLN B 59 -15.150 12.450 -18.359 1.00 25.03 H new ATOM 0 HB3 GLN B 59 -16.345 12.405 -19.360 1.00 25.03 H new ATOM 0 HG2 GLN B 59 -17.581 11.105 -17.977 1.00 30.54 H new ATOM 0 HG3 GLN B 59 -16.348 10.764 -17.085 1.00 30.54 H new ATOM 0 HE21 GLN B 59 -18.963 12.495 -16.946 1.00 30.06 H new ATOM 0 HE22 GLN B 59 -18.579 13.639 -16.074 1.00 30.06 H new ATOM 988 N TYR B 60 -16.742 10.218 -21.269 1.00 25.42 N ANISOU 988 N TYR B 60 3122 3723 2815 -10 -194 79 N ATOM 989 CA TYR B 60 -17.703 9.383 -21.980 1.00 25.19 C ANISOU 989 CA TYR B 60 3120 3678 2773 -80 -243 121 C ATOM 990 C TYR B 60 -17.095 8.038 -22.357 1.00 31.23 C ANISOU 990 C TYR B 60 3974 4401 3491 -108 -245 108 C ATOM 991 O TYR B 60 -17.693 6.983 -22.113 1.00 25.01 O ANISOU 991 O TYR B 60 3197 3610 2694 -145 -265 137 O ATOM 992 CB TYR B 60 -18.210 10.112 -23.224 1.00 23.91 C ANISOU 992 CB TYR B 60 2963 3500 2620 -114 -289 141 C ATOM 993 CG TYR B 60 -19.089 9.231 -24.062 1.00 27.63 C ANISOU 993 CG TYR B 60 3474 3948 3075 -187 -342 182 C ATOM 994 CD1 TYR B 60 -20.430 9.062 -23.735 1.00 23.65 C ANISOU 994 CD1 TYR B 60 2914 3470 2603 -218 -373 230 C ATOM 995 CD2 TYR B 60 -18.582 8.561 -25.175 1.00 27.39 C ANISOU 995 CD2 TYR B 60 3536 3872 2998 -226 -361 171 C ATOM 996 CE1 TYR B 60 -21.251 8.243 -24.485 1.00 26.52 C ANISOU 996 CE1 TYR B 60 3314 3810 2953 -286 -424 271 C ATOM 997 CE2 TYR B 60 -19.394 7.743 -25.933 1.00 27.40 C ANISOU 997 CE2 TYR B 60 3577 3850 2985 -293 -412 208 C ATOM 998 CZ TYR B 60 -20.728 7.595 -25.580 1.00 28.54 C ANISOU 998 CZ TYR B 60 3665 4017 3162 -322 -444 260 C ATOM 999 OH TYR B 60 -21.545 6.789 -26.309 1.00 32.62 O ANISOU 999 OH TYR B 60 4220 4509 3666 -389 -498 300 O ATOM 0 H TYR B 60 -16.567 10.969 -21.650 1.00 25.42 H new ATOM 0 HA TYR B 60 -18.452 9.211 -21.388 1.00 25.19 H new ATOM 0 HB2 TYR B 60 -18.704 10.903 -22.957 1.00 23.91 H new ATOM 0 HB3 TYR B 60 -17.455 10.414 -23.753 1.00 23.91 H new ATOM 0 HD1 TYR B 60 -20.780 9.508 -22.998 1.00 23.65 H new ATOM 0 HD2 TYR B 60 -17.688 8.667 -25.408 1.00 27.39 H new ATOM 0 HE1 TYR B 60 -22.145 8.131 -24.253 1.00 26.52 H new ATOM 0 HE2 TYR B 60 -19.051 7.295 -26.673 1.00 27.40 H new ATOM 0 HH TYR B 60 -21.103 6.422 -26.922 1.00 32.62 H new ATOM 1000 N ILE B 61 -15.889 8.059 -22.928 1.00 26.49 N ANISOU 1000 N ILE B 61 3436 3768 2861 -91 -225 64 N ATOM 1001 CA ILE B 61 -15.232 6.822 -23.345 1.00 27.85 C ANISOU 1001 CA ILE B 61 3693 3897 2990 -113 -226 43 C ATOM 1002 C ILE B 61 -15.050 5.891 -22.154 1.00 30.95 C ANISOU 1002 C ILE B 61 4080 4295 3384 -96 -205 39 C ATOM 1003 O ILE B 61 -15.204 4.666 -22.270 1.00 29.15 O ANISOU 1003 O ILE B 61 3899 4041 3136 -133 -229 49 O ATOM 1004 CB ILE B 61 -13.893 7.152 -24.035 1.00 27.71 C ANISOU 1004 CB ILE B 61 3730 3853 2946 -88 -199 -11 C ATOM 1005 CG1 ILE B 61 -14.156 7.735 -25.434 1.00 26.24 C ANISOU 1005 CG1 ILE B 61 3570 3655 2744 -128 -234 -1 C ATOM 1006 CG2 ILE B 61 -12.946 5.934 -24.061 1.00 28.51 C ANISOU 1006 CG2 ILE B 61 3905 3916 3013 -86 -184 -50 C ATOM 1007 CD1 ILE B 61 -12.917 8.420 -26.029 1.00 28.29 C ANISOU 1007 CD1 ILE B 61 3861 3904 2983 -101 -204 -48 C ATOM 0 H ILE B 61 -15.438 8.775 -23.081 1.00 26.49 H new ATOM 0 HA ILE B 61 -15.790 6.357 -23.988 1.00 27.85 H new ATOM 0 HB ILE B 61 -13.432 7.829 -23.516 1.00 27.71 H new ATOM 0 HG12 ILE B 61 -14.445 7.025 -26.028 1.00 26.24 H new ATOM 0 HG13 ILE B 61 -14.883 8.376 -25.383 1.00 26.24 H new ATOM 0 HG21 ILE B 61 -12.117 6.178 -24.501 1.00 28.51 H new ATOM 0 HG22 ILE B 61 -12.758 5.650 -23.153 1.00 28.51 H new ATOM 0 HG23 ILE B 61 -13.367 5.207 -24.546 1.00 28.51 H new ATOM 0 HD11 ILE B 61 -13.131 8.770 -26.908 1.00 28.29 H new ATOM 0 HD12 ILE B 61 -12.640 9.147 -25.450 1.00 28.29 H new ATOM 0 HD13 ILE B 61 -12.196 7.776 -26.105 1.00 28.29 H new ATOM 1008 N MET B 62 -14.739 6.455 -20.987 1.00 23.20 N ANISOU 1008 N MET B 62 3042 3348 2427 -42 -163 27 N ATOM 1009 CA MET B 62 -14.570 5.627 -19.800 1.00 24.65 C ANISOU 1009 CA MET B 62 3217 3538 2610 -29 -144 26 C ATOM 1010 C MET B 62 -15.910 5.084 -19.292 1.00 27.43 C ANISOU 1010 C MET B 62 3528 3920 2975 -72 -175 83 C ATOM 1011 O MET B 62 -15.986 3.929 -18.857 1.00 33.82 O ANISOU 1011 O MET B 62 4363 4718 3771 -97 -188 96 O ATOM 1012 CB MET B 62 -13.822 6.421 -18.723 1.00 24.81 C ANISOU 1012 CB MET B 62 3192 3586 2650 40 -92 -4 C ATOM 1013 CG MET B 62 -12.346 6.569 -19.091 1.00 27.53 C ANISOU 1013 CG MET B 62 3589 3893 2977 79 -61 -60 C ATOM 1014 SD MET B 62 -11.284 7.450 -17.919 1.00 29.78 S ANISOU 1014 SD MET B 62 3834 4200 3283 160 -2 -100 S ATOM 1015 CE MET B 62 -11.241 9.080 -18.688 1.00 27.33 C ANISOU 1015 CE MET B 62 3490 3904 2990 184 0 -108 C ATOM 0 H MET B 62 -14.624 7.298 -20.865 1.00 23.20 H new ATOM 0 HA MET B 62 -14.037 4.851 -20.033 1.00 24.65 H new ATOM 0 HB2 MET B 62 -14.225 7.298 -18.622 1.00 24.81 H new ATOM 0 HB3 MET B 62 -13.904 5.971 -17.867 1.00 24.81 H new ATOM 0 HG2 MET B 62 -11.978 5.681 -19.221 1.00 27.53 H new ATOM 0 HG3 MET B 62 -12.294 7.025 -19.945 1.00 27.53 H new ATOM 0 HE1 MET B 62 -10.745 9.692 -18.122 1.00 27.33 H new ATOM 0 HE2 MET B 62 -10.808 9.018 -19.554 1.00 27.33 H new ATOM 0 HE3 MET B 62 -12.147 9.408 -18.802 1.00 27.33 H new ATOM 1016 N THR B 63 -16.969 5.897 -19.303 1.00 29.93 N ANISOU 1016 N THR B 63 3777 4277 3320 -81 -189 116 N ATOM 1017 CA THR B 63 -18.270 5.401 -18.838 1.00 29.83 C ANISOU 1017 CA THR B 63 3718 4296 3319 -124 -217 170 C ATOM 1018 C THR B 63 -18.792 4.256 -19.708 1.00 33.80 C ANISOU 1018 C THR B 63 4283 4761 3800 -193 -271 202 C ATOM 1019 O THR B 63 -19.435 3.332 -19.202 1.00 33.91 O ANISOU 1019 O THR B 63 4290 4785 3809 -230 -292 239 O ATOM 1020 CB THR B 63 -19.299 6.528 -18.768 1.00 37.09 C ANISOU 1020 CB THR B 63 4551 5263 4278 -119 -223 195 C ATOM 1021 OG1 THR B 63 -19.669 6.961 -20.093 1.00 40.22 O ANISOU 1021 OG1 THR B 63 4970 5632 4678 -149 -263 207 O ATOM 1022 CG2 THR B 63 -18.751 7.669 -17.961 1.00 31.69 C ANISOU 1022 CG2 THR B 63 3810 4614 3618 -50 -174 160 C ATOM 0 H THR B 63 -16.960 6.715 -19.567 1.00 29.93 H new ATOM 0 HA THR B 63 -18.133 5.052 -17.943 1.00 29.83 H new ATOM 0 HB THR B 63 -20.100 6.198 -18.331 1.00 37.09 H new ATOM 0 HG1 THR B 63 -18.999 6.923 -20.598 1.00 40.22 H new ATOM 0 HG21 THR B 63 -19.408 8.381 -17.920 1.00 31.69 H new ATOM 0 HG22 THR B 63 -18.550 7.363 -17.063 1.00 31.69 H new ATOM 0 HG23 THR B 63 -17.941 8.001 -18.378 1.00 31.69 H new ATOM 1023 N LYS B 64 -18.541 4.294 -21.012 1.00 30.78 N ANISOU 1023 N LYS B 64 3961 4334 3400 -213 -296 190 N ATOM 1024 CA LYS B 64 -18.951 3.195 -21.883 1.00 29.07 C ANISOU 1024 CA LYS B 64 3810 4076 3158 -276 -349 215 C ATOM 1025 C LYS B 64 -17.897 2.094 -21.967 1.00 34.37 C ANISOU 1025 C LYS B 64 4565 4700 3796 -274 -344 177 C ATOM 1026 O LYS B 64 -18.102 1.110 -22.690 1.00 32.19 O ANISOU 1026 O LYS B 64 4350 4382 3497 -321 -388 189 O ATOM 1027 CB LYS B 64 -19.265 3.716 -23.294 1.00 29.99 C ANISOU 1027 CB LYS B 64 3955 4169 3270 -307 -383 221 C ATOM 1028 CG LYS B 64 -20.328 4.804 -23.317 1.00 37.44 C ANISOU 1028 CG LYS B 64 4818 5153 4253 -312 -398 258 C ATOM 1029 CD LYS B 64 -21.722 4.225 -23.077 1.00 34.51 C ANISOU 1029 CD LYS B 64 4411 4802 3901 -364 -440 320 C ATOM 1030 CE LYS B 64 -22.611 4.371 -24.313 1.00 50.41 C ANISOU 1030 CE LYS B 64 6441 6793 5919 -420 -499 357 C ATOM 1031 NZ LYS B 64 -23.762 3.431 -24.297 1.00 63.07 N ANISOU 1031 NZ LYS B 64 8040 8397 7527 -481 -547 415 N ATOM 0 H LYS B 64 -18.138 4.941 -21.411 1.00 30.78 H new ATOM 0 HA LYS B 64 -19.750 2.810 -21.490 1.00 29.07 H new ATOM 0 HB2 LYS B 64 -18.451 4.061 -23.692 1.00 29.99 H new ATOM 0 HB3 LYS B 64 -19.559 2.975 -23.847 1.00 29.99 H new ATOM 0 HG2 LYS B 64 -20.130 5.467 -22.637 1.00 37.44 H new ATOM 0 HG3 LYS B 64 -20.308 5.260 -24.173 1.00 37.44 H new ATOM 0 HD2 LYS B 64 -21.648 3.287 -22.840 1.00 34.51 H new ATOM 0 HD3 LYS B 64 -22.136 4.676 -22.325 1.00 34.51 H new ATOM 0 HE2 LYS B 64 -22.941 5.282 -24.365 1.00 50.41 H new ATOM 0 HE3 LYS B 64 -22.081 4.215 -25.110 1.00 50.41 H new ATOM 0 HZ1 LYS B 64 -24.252 3.548 -25.031 1.00 63.07 H new ATOM 0 HZ2 LYS B 64 -23.461 2.594 -24.272 1.00 63.07 H new ATOM 0 HZ3 LYS B 64 -24.263 3.587 -23.578 1.00 63.07 H new ATOM 1032 N ARG B 65 -16.771 2.248 -21.265 1.00 33.63 N ANISOU 1032 N ARG B 65 4472 4605 3700 -218 -295 131 N ATOM 1033 CA ARG B 65 -15.672 1.270 -21.278 1.00 33.21 C ANISOU 1033 CA ARG B 65 4492 4505 3622 -208 -288 88 C ATOM 1034 C ARG B 65 -15.259 0.871 -22.692 1.00 23.54 C ANISOU 1034 C ARG B 65 3350 3227 2366 -234 -314 61 C ATOM 1035 O ARG B 65 -15.053 -0.304 -22.996 1.00 36.09 O ANISOU 1035 O ARG B 65 5003 4774 3936 -261 -343 52 O ATOM 1036 CB ARG B 65 -16.000 0.021 -20.461 1.00 36.32 C ANISOU 1036 CB ARG B 65 4893 4892 4014 -235 -312 117 C ATOM 1037 CG ARG B 65 -15.736 0.146 -19.002 1.00 45.69 C ANISOU 1037 CG ARG B 65 6028 6115 5219 -198 -274 116 C ATOM 1038 CD ARG B 65 -15.602 -1.239 -18.414 1.00 50.71 C ANISOU 1038 CD ARG B 65 6700 6722 5845 -224 -301 127 C ATOM 1039 NE ARG B 65 -14.237 -1.766 -18.453 1.00 47.91 N ANISOU 1039 NE ARG B 65 6409 6316 5480 -192 -286 68 N ATOM 1040 CZ ARG B 65 -13.578 -2.159 -17.369 1.00 43.34 C ANISOU 1040 CZ ARG B 65 5826 5733 4906 -166 -267 54 C ATOM 1041 NH1 ARG B 65 -14.167 -2.075 -16.182 1.00 35.56 N ANISOU 1041 NH1 ARG B 65 4779 4798 3933 -171 -258 94 N ATOM 1042 NH2 ARG B 65 -12.344 -2.639 -17.465 1.00 43.48 N ANISOU 1042 NH2 ARG B 65 5901 5701 4920 -137 -257 -1 N ATOM 0 H ARG B 65 -16.620 2.929 -20.762 1.00 33.63 H new ATOM 0 HA ARG B 65 -14.921 1.720 -20.861 1.00 33.21 H new ATOM 0 HB2 ARG B 65 -16.936 -0.199 -20.590 1.00 36.32 H new ATOM 0 HB3 ARG B 65 -15.483 -0.723 -20.808 1.00 36.32 H new ATOM 0 HG2 ARG B 65 -14.925 0.656 -18.849 1.00 45.69 H new ATOM 0 HG3 ARG B 65 -16.459 0.627 -18.569 1.00 45.69 H new ATOM 0 HD2 ARG B 65 -15.907 -1.222 -17.493 1.00 50.71 H new ATOM 0 HD3 ARG B 65 -16.188 -1.844 -18.896 1.00 50.71 H new ATOM 0 HE ARG B 65 -13.843 -1.824 -19.215 1.00 47.91 H new ATOM 0 HH11 ARG B 65 -14.968 -1.768 -16.120 1.00 35.56 H new ATOM 0 HH12 ARG B 65 -13.747 -2.327 -15.475 1.00 35.56 H new ATOM 0 HH21 ARG B 65 -11.964 -2.698 -18.234 1.00 43.48 H new ATOM 0 HH22 ARG B 65 -11.925 -2.891 -16.758 1.00 43.48 H new ATOM 1043 N LEU B 66 -15.099 1.864 -23.561 1.00 25.18 N ANISOU 1043 N LEU B 66 3558 3440 2569 -226 -304 45 N ATOM 1044 CA LEU B 66 -14.668 1.579 -24.922 1.00 27.85 C ANISOU 1044 CA LEU B 66 3974 3736 2872 -252 -323 16 C ATOM 1045 C LEU B 66 -13.166 1.322 -25.028 1.00 28.18 C ANISOU 1045 C LEU B 66 4067 3747 2892 -211 -285 -55 C ATOM 1046 O LEU B 66 -12.702 0.872 -26.081 1.00 33.79 O ANISOU 1046 O LEU B 66 4847 4421 3570 -232 -298 -88 O ATOM 1047 CB LEU B 66 -15.033 2.750 -25.835 1.00 28.52 C ANISOU 1047 CB LEU B 66 4041 3838 2957 -265 -330 28 C ATOM 1048 CG LEU B 66 -16.504 3.163 -25.832 1.00 29.19 C ANISOU 1048 CG LEU B 66 4070 3952 3070 -302 -369 95 C ATOM 1049 CD1 LEU B 66 -16.675 4.379 -26.764 1.00 31.26 C ANISOU 1049 CD1 LEU B 66 4319 4224 3335 -311 -377 100 C ATOM 1050 CD2 LEU B 66 -17.434 2.020 -26.188 1.00 30.02 C ANISOU 1050 CD2 LEU B 66 4208 4034 3165 -365 -427 137 C ATOM 0 H LEU B 66 -15.232 2.695 -23.386 1.00 25.18 H new ATOM 0 HA LEU B 66 -15.126 0.769 -25.196 1.00 27.85 H new ATOM 0 HB2 LEU B 66 -14.499 3.518 -25.577 1.00 28.52 H new ATOM 0 HB3 LEU B 66 -14.781 2.521 -26.743 1.00 28.52 H new ATOM 0 HG LEU B 66 -16.759 3.415 -24.931 1.00 29.19 H new ATOM 0 HD11 LEU B 66 -17.606 4.653 -26.772 1.00 31.26 H new ATOM 0 HD12 LEU B 66 -16.126 5.112 -26.444 1.00 31.26 H new ATOM 0 HD13 LEU B 66 -16.401 4.139 -27.663 1.00 31.26 H new ATOM 0 HD21 LEU B 66 -18.352 2.333 -26.172 1.00 30.02 H new ATOM 0 HD22 LEU B 66 -17.220 1.693 -27.076 1.00 30.02 H new ATOM 0 HD23 LEU B 66 -17.326 1.302 -25.544 1.00 30.02 H new ATOM 1051 N TYR B 67 -12.400 1.580 -23.972 1.00 30.30 N ANISOU 1051 N TYR B 67 4304 4029 3179 -155 -238 -81 N ATOM 1052 CA TYR B 67 -10.964 1.343 -24.029 1.00 28.30 C ANISOU 1052 CA TYR B 67 4096 3746 2911 -114 -202 -148 C ATOM 1053 C TYR B 67 -10.659 -0.146 -23.884 1.00 30.42 C ANISOU 1053 C TYR B 67 4420 3968 3169 -129 -226 -166 C ATOM 1054 O TYR B 67 -11.336 -0.871 -23.149 1.00 32.24 O ANISOU 1054 O TYR B 67 4636 4200 3415 -150 -255 -127 O ATOM 1055 CB TYR B 67 -10.249 2.166 -22.947 1.00 27.93 C ANISOU 1055 CB TYR B 67 3996 3727 2890 -49 -148 -167 C ATOM 1056 CG TYR B 67 -10.726 1.941 -21.517 1.00 29.81 C ANISOU 1056 CG TYR B 67 4180 3989 3156 -36 -144 -133 C ATOM 1057 CD1 TYR B 67 -11.754 2.707 -20.976 1.00 31.52 C ANISOU 1057 CD1 TYR B 67 4322 4256 3396 -40 -147 -84 C ATOM 1058 CD2 TYR B 67 -10.146 0.968 -20.709 1.00 30.13 C ANISOU 1058 CD2 TYR B 67 4242 4004 3201 -22 -140 -151 C ATOM 1059 CE1 TYR B 67 -12.200 2.501 -19.657 1.00 27.40 C ANISOU 1059 CE1 TYR B 67 3750 3765 2897 -32 -140 -55 C ATOM 1060 CE2 TYR B 67 -10.582 0.754 -19.408 1.00 29.53 C ANISOU 1060 CE2 TYR B 67 4119 3955 3147 -17 -139 -118 C ATOM 1061 CZ TYR B 67 -11.599 1.521 -18.884 1.00 31.72 C ANISOU 1061 CZ TYR B 67 4323 4287 3441 -22 -136 -70 C ATOM 1062 OH TYR B 67 -12.017 1.297 -17.587 1.00 34.95 O ANISOU 1062 OH TYR B 67 4685 4729 3867 -20 -131 -40 O ATOM 0 H TYR B 67 -12.688 1.889 -23.223 1.00 30.30 H new ATOM 0 HA TYR B 67 -10.633 1.629 -24.895 1.00 28.30 H new ATOM 0 HB2 TYR B 67 -9.300 1.968 -22.988 1.00 27.93 H new ATOM 0 HB3 TYR B 67 -10.352 3.107 -23.160 1.00 27.93 H new ATOM 0 HD1 TYR B 67 -12.154 3.367 -21.495 1.00 31.52 H new ATOM 0 HD2 TYR B 67 -9.452 0.450 -21.047 1.00 30.13 H new ATOM 0 HE1 TYR B 67 -12.891 3.017 -19.308 1.00 27.40 H new ATOM 0 HE2 TYR B 67 -10.186 0.091 -18.889 1.00 29.53 H new ATOM 0 HH TYR B 67 -12.572 1.887 -17.366 1.00 34.95 H new ATOM 1063 N ASP B 68 -9.632 -0.598 -24.601 1.00 28.70 N ANISOU 1063 N ASP B 68 4267 3711 2928 -119 -217 -227 N ATOM 1064 CA ASP B 68 -9.179 -1.976 -24.496 1.00 33.95 C ANISOU 1064 CA ASP B 68 4987 4325 3588 -125 -240 -257 C ATOM 1065 C ASP B 68 -8.549 -2.190 -23.125 1.00 37.19 C ANISOU 1065 C ASP B 68 5369 4734 4029 -80 -214 -268 C ATOM 1066 O ASP B 68 -7.823 -1.324 -22.624 1.00 36.89 O ANISOU 1066 O ASP B 68 5297 4718 4003 -29 -163 -292 O ATOM 1067 CB ASP B 68 -8.153 -2.283 -25.591 1.00 36.26 C ANISOU 1067 CB ASP B 68 5348 4581 3850 -119 -230 -328 C ATOM 1068 CG ASP B 68 -7.645 -3.701 -25.533 1.00 40.60 C ANISOU 1068 CG ASP B 68 5954 5074 4399 -121 -257 -367 C ATOM 1069 OD1 ASP B 68 -6.539 -3.915 -25.006 1.00 40.06 O ANISOU 1069 OD1 ASP B 68 5891 4984 4344 -74 -227 -418 O ATOM 1070 OD2 ASP B 68 -8.372 -4.614 -25.979 1.00 54.13 O ANISOU 1070 OD2 ASP B 68 7705 6762 6102 -171 -314 -344 O ATOM 0 H ASP B 68 -9.184 -0.117 -25.156 1.00 28.70 H new ATOM 0 HA ASP B 68 -9.937 -2.572 -24.606 1.00 33.95 H new ATOM 0 HB2 ASP B 68 -8.555 -2.123 -26.459 1.00 36.26 H new ATOM 0 HB3 ASP B 68 -7.404 -1.672 -25.508 1.00 36.26 H new ATOM 1071 N GLU B 69 -8.833 -3.340 -22.505 1.00 33.09 N ANISOU 1071 N GLU B 69 4865 4188 3521 -100 -253 -249 N ATOM 1072 CA GLU B 69 -8.379 -3.538 -21.125 1.00 39.94 C ANISOU 1072 CA GLU B 69 5702 5058 4416 -66 -235 -249 C ATOM 1073 C GLU B 69 -6.858 -3.685 -21.016 1.00 38.54 C ANISOU 1073 C GLU B 69 5555 4843 4245 -12 -199 -324 C ATOM 1074 O GLU B 69 -6.272 -3.264 -20.015 1.00 42.25 O ANISOU 1074 O GLU B 69 5989 5327 4737 32 -162 -333 O ATOM 1075 CB GLU B 69 -9.062 -4.767 -20.517 1.00 44.70 C ANISOU 1075 CB GLU B 69 6315 5639 5028 -108 -292 -206 C ATOM 1076 CG GLU B 69 -10.094 -4.450 -19.437 1.00 50.71 C ANISOU 1076 CG GLU B 69 7007 6455 5806 -125 -295 -134 C ATOM 0 H GLU B 69 -9.271 -3.995 -22.850 1.00 33.09 H new ATOM 0 HA GLU B 69 -8.627 -2.741 -20.631 1.00 39.94 H new ATOM 0 HB2 GLU B 69 -9.496 -5.265 -21.227 1.00 44.70 H new ATOM 0 HB3 GLU B 69 -8.382 -5.346 -20.138 1.00 44.70 H new ATOM 1077 N LYS B 70 -6.194 -4.257 -22.025 1.00 35.87 N ANISOU 1077 N LYS B 70 5280 4459 3888 -15 -209 -381 N ATOM 1078 CA LYS B 70 -4.751 -4.466 -21.941 1.00 40.18 C ANISOU 1078 CA LYS B 70 5853 4969 4443 35 -177 -456 C ATOM 1079 C LYS B 70 -3.939 -3.319 -22.536 1.00 45.03 C ANISOU 1079 C LYS B 70 6458 5607 5044 74 -117 -499 C ATOM 1080 O LYS B 70 -2.927 -2.914 -21.956 1.00 47.93 O ANISOU 1080 O LYS B 70 6808 5974 5430 127 -73 -535 O ATOM 1081 CB LYS B 70 -4.366 -5.784 -22.618 1.00 46.51 C ANISOU 1081 CB LYS B 70 6727 5707 5238 17 -219 -502 C ATOM 1082 CG LYS B 70 -4.693 -7.017 -21.794 1.00 42.32 C ANISOU 1082 CG LYS B 70 6208 5138 4732 -5 -276 -476 C ATOM 1083 CD LYS B 70 -4.510 -8.274 -22.617 1.00 47.88 C ANISOU 1083 CD LYS B 70 6984 5780 5427 -29 -328 -517 C ATOM 0 H LYS B 70 -6.557 -4.527 -22.756 1.00 35.87 H new ATOM 0 HA LYS B 70 -4.534 -4.502 -20.996 1.00 40.18 H new ATOM 0 HB2 LYS B 70 -4.824 -5.845 -23.471 1.00 46.51 H new ATOM 0 HB3 LYS B 70 -3.415 -5.775 -22.807 1.00 46.51 H new ATOM 0 HG2 LYS B 70 -4.120 -7.050 -21.012 1.00 42.32 H new ATOM 0 HG3 LYS B 70 -5.607 -6.965 -21.474 1.00 42.32 H new ATOM 1084 N GLN B 71 -4.336 -2.793 -23.690 1.00 39.08 N ANISOU 1084 N GLN B 71 5717 4875 4258 47 -117 -497 N ATOM 1085 CA GLN B 71 -3.604 -1.702 -24.333 1.00 34.68 C ANISOU 1085 CA GLN B 71 5152 4341 3683 75 -65 -533 C ATOM 1086 C GLN B 71 -4.544 -0.501 -24.333 1.00 32.81 C ANISOU 1086 C GLN B 71 4863 4160 3445 60 -60 -472 C ATOM 1087 O GLN B 71 -5.253 -0.252 -25.313 1.00 37.19 O ANISOU 1087 O GLN B 71 5430 4728 3973 17 -82 -450 O ATOM 1088 CB GLN B 71 -3.144 -2.096 -25.773 1.00 30.69 C ANISOU 1088 CB GLN B 71 4712 3813 3138 54 -70 -589 C ATOM 1089 CG GLN B 71 -2.029 -3.150 -25.813 1.00 39.43 C ANISOU 1089 CG GLN B 71 5866 4866 4251 80 -67 -665 C ATOM 1090 CD GLN B 71 -1.721 -3.623 -27.235 1.00 45.79 C ANISOU 1090 CD GLN B 71 6734 5651 5013 54 -75 -720 C ATOM 0 H GLN B 71 -5.032 -3.055 -24.121 1.00 39.08 H new ATOM 0 HA GLN B 71 -2.787 -1.493 -23.854 1.00 34.68 H new ATOM 0 HB2 GLN B 71 -3.910 -2.431 -26.265 1.00 30.69 H new ATOM 0 HB3 GLN B 71 -2.838 -1.299 -26.233 1.00 30.69 H new ATOM 0 HG2 GLN B 71 -1.224 -2.781 -25.417 1.00 39.43 H new ATOM 0 HG3 GLN B 71 -2.288 -3.912 -25.271 1.00 39.43 H new ATOM 1091 N GLN B 72 -4.535 0.260 -23.233 1.00 30.62 N ANISOU 1091 N GLN B 72 4523 3913 3197 97 -32 -447 N ATOM 1092 CA GLN B 72 -5.636 1.186 -22.994 1.00 31.11 C ANISOU 1092 CA GLN B 72 4528 4024 3268 81 -39 -384 C ATOM 1093 C GLN B 72 -5.581 2.444 -23.849 1.00 33.83 C ANISOU 1093 C GLN B 72 4859 4400 3597 83 -18 -386 C ATOM 1094 O GLN B 72 -6.494 3.268 -23.756 1.00 30.65 O ANISOU 1094 O GLN B 72 4408 4034 3205 70 -29 -337 O ATOM 1095 CB GLN B 72 -5.701 1.565 -21.512 1.00 30.55 C ANISOU 1095 CB GLN B 72 4396 3979 3234 119 -18 -358 C ATOM 1096 CG GLN B 72 -5.792 0.347 -20.594 1.00 28.29 C ANISOU 1096 CG GLN B 72 4122 3665 2962 111 -43 -349 C ATOM 1097 CD GLN B 72 -6.629 0.629 -19.367 1.00 23.38 C ANISOU 1097 CD GLN B 72 3436 3084 2365 112 -45 -293 C ATOM 1098 OE1 GLN B 72 -6.922 1.775 -19.074 1.00 30.40 O ANISOU 1098 OE1 GLN B 72 4269 4019 3264 133 -19 -273 O ATOM 1099 NE2 GLN B 72 -7.015 -0.413 -18.653 1.00 26.16 N ANISOU 1099 NE2 GLN B 72 3795 3422 2725 88 -76 -267 N ATOM 0 H GLN B 72 -3.919 0.254 -22.633 1.00 30.62 H new ATOM 0 HA GLN B 72 -6.442 0.713 -23.255 1.00 31.11 H new ATOM 0 HB2 GLN B 72 -4.914 2.082 -21.280 1.00 30.55 H new ATOM 0 HB3 GLN B 72 -6.470 2.136 -21.362 1.00 30.55 H new ATOM 0 HG2 GLN B 72 -6.175 -0.398 -21.083 1.00 28.29 H new ATOM 0 HG3 GLN B 72 -4.900 0.079 -20.322 1.00 28.29 H new ATOM 0 HE21 GLN B 72 -6.787 -1.207 -18.893 1.00 26.16 H new ATOM 0 HE22 GLN B 72 -7.494 -0.298 -17.948 1.00 26.16 H new ATOM 1100 N HIS B 73 -4.565 2.614 -24.695 1.00 32.58 N ANISOU 1100 N HIS B 73 4738 4227 3413 96 7 -441 N ATOM 1101 CA HIS B 73 -4.650 3.688 -25.675 1.00 33.83 C ANISOU 1101 CA HIS B 73 4891 4413 3550 80 14 -435 C ATOM 1102 C HIS B 73 -5.530 3.314 -26.862 1.00 31.71 C ANISOU 1102 C HIS B 73 4662 4138 3248 12 -32 -413 C ATOM 1103 O HIS B 73 -5.829 4.177 -27.696 1.00 33.06 O ANISOU 1103 O HIS B 73 4828 4333 3401 -13 -38 -396 O ATOM 1104 CB HIS B 73 -3.247 4.063 -26.160 1.00 40.21 C ANISOU 1104 CB HIS B 73 5723 5216 4340 113 60 -499 C ATOM 1105 CG HIS B 73 -2.535 2.938 -26.840 1.00 39.75 C ANISOU 1105 CG HIS B 73 5733 5118 4253 102 59 -558 C ATOM 1106 ND1 HIS B 73 -2.581 2.741 -28.205 1.00 41.32 N ANISOU 1106 ND1 HIS B 73 5983 5313 4406 57 45 -578 N ATOM 1107 CD2 HIS B 73 -1.791 1.924 -26.337 1.00 37.43 C ANISOU 1107 CD2 HIS B 73 5465 4785 3973 130 68 -604 C ATOM 1108 CE1 HIS B 73 -1.872 1.669 -28.514 1.00 38.77 C ANISOU 1108 CE1 HIS B 73 5711 4951 4067 61 48 -637 C ATOM 1109 NE2 HIS B 73 -1.386 1.152 -27.399 1.00 32.11 N ANISOU 1109 NE2 HIS B 73 4853 4085 3262 105 60 -654 N ATOM 0 H HIS B 73 -3.848 2.140 -24.718 1.00 32.58 H new ATOM 0 HA HIS B 73 -5.061 4.451 -25.238 1.00 33.83 H new ATOM 0 HB2 HIS B 73 -3.313 4.813 -26.772 1.00 40.21 H new ATOM 0 HB3 HIS B 73 -2.719 4.361 -25.403 1.00 40.21 H new ATOM 0 HD2 HIS B 73 -1.592 1.778 -25.440 1.00 37.43 H new ATOM 0 HE1 HIS B 73 -1.738 1.335 -29.371 1.00 38.77 H new ATOM 0 HE2 HIS B 73 -0.896 0.447 -27.347 1.00 32.11 H new ATOM 1110 N ILE B 74 -5.950 2.058 -26.965 1.00 32.25 N ANISOU 1110 N ILE B 74 4335 4193 3726 -318 -83 -1252 N ATOM 1111 CA ILE B 74 -6.802 1.625 -28.063 1.00 31.21 C ANISOU 1111 CA ILE B 74 4251 3948 3658 -308 -230 -1169 C ATOM 1112 C ILE B 74 -8.254 1.741 -27.626 1.00 36.31 C ANISOU 1112 C ILE B 74 4802 4653 4341 -336 -249 -945 C ATOM 1113 O ILE B 74 -8.621 1.282 -26.537 1.00 36.08 O ANISOU 1113 O ILE B 74 4657 4706 4344 -384 -301 -811 O ATOM 1114 CB ILE B 74 -6.470 0.192 -28.501 1.00 34.58 C ANISOU 1114 CB ILE B 74 4701 4267 4171 -327 -478 -1169 C ATOM 1115 CG1 ILE B 74 -5.013 0.100 -28.950 1.00 50.38 C ANISOU 1115 CG1 ILE B 74 6798 6210 6134 -298 -455 -1397 C ATOM 1116 CG2 ILE B 74 -7.398 -0.236 -29.642 1.00 36.60 C ANISOU 1116 CG2 ILE B 74 5005 4406 4493 -317 -629 -1078 C ATOM 1117 CD1 ILE B 74 -4.508 -1.320 -29.071 1.00 51.24 C ANISOU 1117 CD1 ILE B 74 6910 6239 6321 -323 -683 -1405 C ATOM 0 H ILE B 74 -5.750 1.437 -26.404 1.00 32.25 H new ATOM 0 HA ILE B 74 -6.646 2.195 -28.832 1.00 31.21 H new ATOM 0 HB ILE B 74 -6.602 -0.403 -27.746 1.00 34.58 H new ATOM 0 HG12 ILE B 74 -4.918 0.544 -29.807 1.00 50.38 H new ATOM 0 HG13 ILE B 74 -4.456 0.581 -28.318 1.00 50.38 H new ATOM 0 HG21 ILE B 74 -7.182 -1.142 -29.913 1.00 36.60 H new ATOM 0 HG22 ILE B 74 -8.319 -0.200 -29.341 1.00 36.60 H new ATOM 0 HG23 ILE B 74 -7.281 0.363 -30.396 1.00 36.60 H new ATOM 0 HD11 ILE B 74 -3.582 -1.311 -29.358 1.00 51.24 H new ATOM 0 HD12 ILE B 74 -4.575 -1.762 -28.210 1.00 51.24 H new ATOM 0 HD13 ILE B 74 -5.043 -1.800 -29.722 1.00 51.24 H new ATOM 1118 N VAL B 75 -9.076 2.363 -28.472 1.00 36.34 N ANISOU 1118 N VAL B 75 4855 4614 4339 -306 -206 -906 N ATOM 1119 CA VAL B 75 -10.511 2.518 -28.248 1.00 33.18 C ANISOU 1119 CA VAL B 75 4378 4253 3974 -326 -226 -699 C ATOM 1120 C VAL B 75 -11.258 1.762 -29.334 1.00 35.87 C ANISOU 1120 C VAL B 75 4765 4467 4397 -324 -425 -614 C ATOM 1121 O VAL B 75 -11.057 2.025 -30.525 1.00 35.81 O ANISOU 1121 O VAL B 75 4872 4359 4376 -281 -417 -720 O ATOM 1122 CB VAL B 75 -10.934 4.000 -28.259 1.00 32.33 C ANISOU 1122 CB VAL B 75 4283 4214 3786 -293 9 -714 C ATOM 1123 CG1 VAL B 75 -12.455 4.124 -28.099 1.00 33.39 C ANISOU 1123 CG1 VAL B 75 4342 4383 3964 -313 -22 -497 C ATOM 1124 CG2 VAL B 75 -10.199 4.786 -27.181 1.00 35.60 C ANISOU 1124 CG2 VAL B 75 4652 4756 4117 -295 211 -799 C ATOM 0 H VAL B 75 -8.807 2.714 -29.209 1.00 36.34 H new ATOM 0 HA VAL B 75 -10.727 2.160 -27.373 1.00 33.18 H new ATOM 0 HB VAL B 75 -10.689 4.382 -29.116 1.00 32.33 H new ATOM 0 HG11 VAL B 75 -12.706 5.061 -28.108 1.00 33.39 H new ATOM 0 HG12 VAL B 75 -12.896 3.665 -28.831 1.00 33.39 H new ATOM 0 HG13 VAL B 75 -12.726 3.725 -27.257 1.00 33.39 H new ATOM 0 HG21 VAL B 75 -10.481 5.714 -27.208 1.00 35.60 H new ATOM 0 HG22 VAL B 75 -10.404 4.411 -26.310 1.00 35.60 H new ATOM 0 HG23 VAL B 75 -9.243 4.735 -27.338 1.00 35.60 H new ATOM 1125 N TYR B 76 -12.139 0.852 -28.924 1.00 35.79 N ANISOU 1125 N TYR B 76 4665 4462 4471 -370 -598 -421 N ATOM 1126 CA TYR B 76 -13.028 0.144 -29.838 1.00 41.03 C ANISOU 1126 CA TYR B 76 5355 5018 5217 -373 -787 -309 C ATOM 1127 C TYR B 76 -14.424 0.746 -29.731 1.00 44.24 C ANISOU 1127 C TYR B 76 5704 5474 5630 -378 -734 -136 C ATOM 1128 O TYR B 76 -15.066 0.670 -28.675 1.00 36.57 O ANISOU 1128 O TYR B 76 4615 4604 4677 -419 -731 15 O ATOM 1129 CB TYR B 76 -13.066 -1.354 -29.530 1.00 52.01 C ANISOU 1129 CB TYR B 76 6690 6371 6702 -421 -1032 -211 C ATOM 1130 CG TYR B 76 -11.743 -2.064 -29.731 1.00 58.26 C ANISOU 1130 CG TYR B 76 7540 7100 7497 -417 -1110 -374 C ATOM 1131 CD1 TYR B 76 -11.264 -2.335 -31.009 1.00 61.42 C ANISOU 1131 CD1 TYR B 76 8064 7365 7910 -381 -1186 -498 C ATOM 1132 CD2 TYR B 76 -10.976 -2.472 -28.645 1.00 60.81 C ANISOU 1132 CD2 TYR B 76 7797 7498 7813 -449 -1110 -403 C ATOM 1133 CE1 TYR B 76 -10.051 -2.985 -31.200 1.00 61.09 C ANISOU 1133 CE1 TYR B 76 8075 7265 7871 -376 -1258 -649 C ATOM 1134 CE2 TYR B 76 -9.764 -3.126 -28.826 1.00 66.23 C ANISOU 1134 CE2 TYR B 76 8535 8125 8503 -444 -1183 -552 C ATOM 1135 CZ TYR B 76 -9.308 -3.379 -30.105 1.00 65.95 C ANISOU 1135 CZ TYR B 76 8622 7957 8480 -408 -1256 -675 C ATOM 1136 OH TYR B 76 -8.105 -4.022 -30.290 1.00 68.03 O ANISOU 1136 OH TYR B 76 8938 8163 8748 -403 -1327 -825 O ATOM 0 H TYR B 76 -12.237 0.627 -28.100 1.00 35.79 H new ATOM 0 HA TYR B 76 -12.694 0.244 -30.743 1.00 41.03 H new ATOM 0 HB2 TYR B 76 -13.351 -1.478 -28.611 1.00 52.01 H new ATOM 0 HB3 TYR B 76 -13.735 -1.773 -30.094 1.00 52.01 H new ATOM 0 HD1 TYR B 76 -11.765 -2.076 -31.749 1.00 61.42 H new ATOM 0 HD2 TYR B 76 -11.280 -2.304 -27.782 1.00 60.81 H new ATOM 0 HE1 TYR B 76 -9.741 -3.154 -32.061 1.00 61.09 H new ATOM 0 HE2 TYR B 76 -9.262 -3.392 -28.090 1.00 66.23 H new ATOM 0 HH TYR B 76 -7.765 -4.201 -29.543 1.00 68.03 H new ATOM 1137 N CYS B 77 -14.901 1.337 -30.827 1.00 39.90 N ANISOU 1137 N CYS B 77 5239 4853 5069 -338 -693 -157 N ATOM 1138 CA CYS B 77 -16.145 2.091 -30.778 1.00 34.43 C ANISOU 1138 CA CYS B 77 4503 4210 4370 -335 -612 -18 C ATOM 1139 C CYS B 77 -17.127 1.688 -31.872 1.00 38.35 C ANISOU 1139 C CYS B 77 5043 4595 4934 -326 -760 83 C ATOM 1140 O CYS B 77 -18.090 2.421 -32.122 1.00 35.61 O ANISOU 1140 O CYS B 77 4690 4266 4576 -312 -683 168 O ATOM 1141 CB CYS B 77 -15.855 3.596 -30.844 1.00 37.74 C ANISOU 1141 CB CYS B 77 4969 4685 4685 -290 -348 -138 C ATOM 1142 SG CYS B 77 -14.692 4.108 -32.157 1.00 42.71 S ANISOU 1142 SG CYS B 77 5771 5204 5252 -226 -267 -398 S ATOM 0 H CYS B 77 -14.522 1.312 -31.599 1.00 39.90 H new ATOM 0 HA CYS B 77 -16.570 1.880 -29.932 1.00 34.43 H new ATOM 0 HB2 CYS B 77 -16.693 4.067 -30.973 1.00 37.74 H new ATOM 0 HB3 CYS B 77 -15.499 3.880 -29.988 1.00 37.74 H new ATOM 0 HG CYS B 77 -15.150 3.826 -33.230 1.00 42.71 H new ATOM 1143 N SER B 78 -16.923 0.534 -32.519 1.00 38.76 N ANISOU 1143 N SER B 78 5136 4534 5056 -336 -972 78 N ATOM 1144 CA SER B 78 -17.832 0.140 -33.594 1.00 44.47 C ANISOU 1144 CA SER B 78 5905 5148 5843 -327 -1115 169 C ATOM 1145 C SER B 78 -19.223 -0.152 -33.052 1.00 42.50 C ANISOU 1145 C SER B 78 5544 4949 5654 -367 -1198 409 C ATOM 1146 O SER B 78 -20.214 -0.016 -33.777 1.00 43.93 O ANISOU 1146 O SER B 78 5747 5078 5866 -356 -1241 504 O ATOM 1147 CB SER B 78 -17.305 -1.084 -34.340 1.00 45.74 C ANISOU 1147 CB SER B 78 6129 5181 6069 -332 -1331 117 C ATOM 1148 OG SER B 78 -17.542 -2.266 -33.596 1.00 57.92 O ANISOU 1148 OG SER B 78 7576 6743 7689 -386 -1512 250 O ATOM 0 H SER B 78 -16.284 -0.018 -32.355 1.00 38.76 H new ATOM 0 HA SER B 78 -17.886 0.884 -34.214 1.00 44.47 H new ATOM 0 HB2 SER B 78 -17.736 -1.150 -35.207 1.00 45.74 H new ATOM 0 HB3 SER B 78 -16.354 -0.984 -34.503 1.00 45.74 H new ATOM 0 HG SER B 78 -17.248 -2.928 -34.021 1.00 57.92 H new ATOM 1149 N ASN B 79 -19.319 -0.539 -31.782 1.00 42.01 N ANISOU 1149 N ASN B 79 5363 4991 5610 -415 -1218 510 N ATOM 1150 CA ASN B 79 -20.602 -0.822 -31.159 1.00 45.00 C ANISOU 1150 CA ASN B 79 5627 5428 6044 -457 -1292 738 C ATOM 1151 C ASN B 79 -21.131 0.359 -30.353 1.00 48.67 C ANISOU 1151 C ASN B 79 6022 6025 6447 -455 -1080 795 C ATOM 1152 O ASN B 79 -21.947 0.169 -29.448 1.00 51.37 O ANISOU 1152 O ASN B 79 6247 6452 6820 -497 -1109 967 O ATOM 1153 CB ASN B 79 -20.499 -2.077 -30.286 1.00 37.75 C ANISOU 1153 CB ASN B 79 4615 4534 5192 -514 -1467 835 C ATOM 1154 CG ASN B 79 -19.493 -1.939 -29.141 1.00 39.31 C ANISOU 1154 CG ASN B 79 4762 4835 5338 -531 -1362 747 C ATOM 1155 OD1 ASN B 79 -18.676 -1.006 -29.091 1.00 41.35 O ANISOU 1155 OD1 ASN B 79 5069 5132 5511 -497 -1170 587 O ATOM 1156 ND2 ASN B 79 -19.540 -2.890 -28.223 1.00 41.29 N ANISOU 1156 ND2 ASN B 79 4916 5131 5642 -585 -1491 851 N ATOM 0 H ASN B 79 -18.643 -0.644 -31.261 1.00 42.01 H new ATOM 0 HA ASN B 79 -21.242 -0.982 -31.870 1.00 45.00 H new ATOM 0 HB2 ASN B 79 -21.373 -2.279 -29.917 1.00 37.75 H new ATOM 0 HB3 ASN B 79 -20.245 -2.830 -30.842 1.00 37.75 H new ATOM 0 HD21 ASN B 79 -18.991 -2.876 -27.561 1.00 41.29 H new ATOM 0 HD22 ASN B 79 -20.119 -3.522 -28.288 1.00 41.29 H new ATOM 1157 N ASP B 80 -20.693 1.576 -30.675 1.00 42.49 N ANISOU 1157 N ASP B 80 5308 5260 5576 -408 -870 654 N ATOM 1158 CA ASP B 80 -21.071 2.763 -29.925 1.00 38.37 C ANISOU 1158 CA ASP B 80 4727 4864 4987 -402 -655 685 C ATOM 1159 C ASP B 80 -21.347 3.902 -30.895 1.00 41.81 C ANISOU 1159 C ASP B 80 5256 5260 5370 -347 -511 615 C ATOM 1160 O ASP B 80 -20.768 3.962 -31.986 1.00 35.92 O ANISOU 1160 O ASP B 80 4630 4409 4610 -307 -522 473 O ATOM 1161 CB ASP B 80 -19.960 3.181 -28.940 1.00 37.89 C ANISOU 1161 CB ASP B 80 4639 4903 4854 -406 -503 560 C ATOM 1162 CG ASP B 80 -20.450 4.146 -27.875 1.00 37.36 C ANISOU 1162 CG ASP B 80 4478 4984 4735 -417 -317 635 C ATOM 1163 OD1 ASP B 80 -20.929 3.669 -26.828 1.00 38.39 O ANISOU 1163 OD1 ASP B 80 4488 5197 4902 -467 -375 781 O ATOM 1164 OD2 ASP B 80 -20.375 5.376 -28.086 1.00 33.56 O ANISOU 1164 OD2 ASP B 80 4041 4535 4177 -377 -114 550 O ATOM 0 H ASP B 80 -20.167 1.732 -31.337 1.00 42.49 H new ATOM 0 HA ASP B 80 -21.868 2.560 -29.411 1.00 38.37 H new ATOM 0 HB2 ASP B 80 -19.599 2.389 -28.512 1.00 37.89 H new ATOM 0 HB3 ASP B 80 -19.234 3.593 -29.434 1.00 37.89 H new ATOM 1165 N LEU B 81 -22.230 4.815 -30.473 1.00 40.91 N ANISOU 1165 N LEU B 81 4821 5726 4996 -813 -1389 -499 N ATOM 1166 CA LEU B 81 -22.467 6.053 -31.212 1.00 43.36 C ANISOU 1166 CA LEU B 81 5234 5884 5355 -657 -1288 -524 C ATOM 1167 C LEU B 81 -21.169 6.800 -31.522 1.00 42.70 C ANISOU 1167 C LEU B 81 5303 5667 5253 -604 -1069 -594 C ATOM 1168 O LEU B 81 -21.094 7.536 -32.512 1.00 37.62 O ANISOU 1168 O LEU B 81 4837 4845 4613 -459 -1018 -589 O ATOM 1169 CB LEU B 81 -23.435 6.944 -30.431 1.00 44.37 C ANISOU 1169 CB LEU B 81 5141 6127 5591 -665 -1224 -579 C ATOM 1170 CG LEU B 81 -24.884 6.452 -30.534 1.00 49.78 C ANISOU 1170 CG LEU B 81 5732 6881 6300 -657 -1448 -498 C ATOM 1171 CD1 LEU B 81 -25.850 7.422 -29.884 1.00 53.53 C ANISOU 1171 CD1 LEU B 81 6009 7448 6883 -646 -1380 -551 C ATOM 1172 CD2 LEU B 81 -25.247 6.236 -31.984 1.00 55.76 C ANISOU 1172 CD2 LEU B 81 6719 7455 7012 -514 -1600 -404 C ATOM 0 H LEU B 81 -22.701 4.732 -29.758 1.00 40.91 H new ATOM 0 HA LEU B 81 -22.864 5.819 -32.065 1.00 43.36 H new ATOM 0 HB2 LEU B 81 -23.169 6.969 -29.499 1.00 44.37 H new ATOM 0 HB3 LEU B 81 -23.379 7.852 -30.766 1.00 44.37 H new ATOM 0 HG LEU B 81 -24.953 5.610 -30.057 1.00 49.78 H new ATOM 0 HD11 LEU B 81 -26.755 7.082 -29.966 1.00 53.53 H new ATOM 0 HD12 LEU B 81 -25.627 7.521 -28.945 1.00 53.53 H new ATOM 0 HD13 LEU B 81 -25.788 8.284 -30.324 1.00 53.53 H new ATOM 0 HD21 LEU B 81 -26.164 5.925 -32.045 1.00 55.76 H new ATOM 0 HD22 LEU B 81 -25.156 7.071 -32.468 1.00 55.76 H new ATOM 0 HD23 LEU B 81 -24.654 5.573 -32.371 1.00 55.76 H new ATOM 1173 N LEU B 82 -20.158 6.666 -30.665 1.00 30.93 N ANISOU 1173 N LEU B 82 3743 4263 3747 -719 -931 -662 N ATOM 1174 CA LEU B 82 -18.888 7.341 -30.926 1.00 30.46 C ANISOU 1174 CA LEU B 82 3825 4081 3668 -675 -721 -730 C ATOM 1175 C LEU B 82 -18.285 6.903 -32.257 1.00 30.26 C ANISOU 1175 C LEU B 82 4086 3857 3554 -577 -794 -661 C ATOM 1176 O LEU B 82 -17.646 7.704 -32.950 1.00 40.75 O ANISOU 1176 O LEU B 82 5582 5022 4879 -469 -658 -693 O ATOM 1177 CB LEU B 82 -17.907 7.073 -29.785 1.00 34.53 C ANISOU 1177 CB LEU B 82 4217 4730 4171 -827 -589 -804 C ATOM 1178 CG LEU B 82 -16.537 7.731 -29.949 1.00 31.54 C ANISOU 1178 CG LEU B 82 3971 4240 3773 -796 -365 -879 C ATOM 1179 CD1 LEU B 82 -16.681 9.236 -30.104 1.00 38.57 C ANISOU 1179 CD1 LEU B 82 4866 5046 4742 -685 -184 -951 C ATOM 1180 CD2 LEU B 82 -15.670 7.409 -28.749 1.00 30.22 C ANISOU 1180 CD2 LEU B 82 3662 4223 3596 -954 -249 -950 C ATOM 0 H LEU B 82 -20.184 6.200 -29.943 1.00 30.93 H new ATOM 0 HA LEU B 82 -19.061 8.294 -30.980 1.00 30.46 H new ATOM 0 HB2 LEU B 82 -18.303 7.383 -28.955 1.00 34.53 H new ATOM 0 HB3 LEU B 82 -17.783 6.115 -29.700 1.00 34.53 H new ATOM 0 HG LEU B 82 -16.116 7.382 -30.750 1.00 31.54 H new ATOM 0 HD11 LEU B 82 -15.803 9.636 -30.207 1.00 38.57 H new ATOM 0 HD12 LEU B 82 -17.219 9.431 -30.888 1.00 38.57 H new ATOM 0 HD13 LEU B 82 -17.113 9.603 -29.317 1.00 38.57 H new ATOM 0 HD21 LEU B 82 -14.801 7.828 -28.855 1.00 30.22 H new ATOM 0 HD22 LEU B 82 -16.094 7.745 -27.944 1.00 30.22 H new ATOM 0 HD23 LEU B 82 -15.559 6.448 -28.678 1.00 30.22 H new ATOM 1181 N GLY B 83 -18.449 5.630 -32.616 1.00 33.16 N ANISOU 1181 N GLY B 83 4514 4237 3849 -615 -1005 -567 N ATOM 1182 CA GLY B 83 -17.963 5.163 -33.908 1.00 35.29 C ANISOU 1182 CA GLY B 83 5054 4321 4034 -520 -1092 -494 C ATOM 1183 C GLY B 83 -18.685 5.809 -35.074 1.00 42.81 C ANISOU 1183 C GLY B 83 6151 5106 5007 -347 -1148 -449 C ATOM 1184 O GLY B 83 -18.068 6.157 -36.086 1.00 40.98 O ANISOU 1184 O GLY B 83 6146 4687 4739 -234 -1094 -440 O ATOM 0 H GLY B 83 -18.833 5.031 -32.133 1.00 33.16 H new ATOM 0 HA2 GLY B 83 -17.013 5.348 -33.978 1.00 35.29 H new ATOM 0 HA3 GLY B 83 -18.069 4.200 -33.960 1.00 35.29 H new ATOM 1185 N ASP B 84 -20.001 5.981 -34.954 1.00 47.30 N ANISOU 1185 N ASP B 84 6594 5742 5637 -324 -1256 -420 N ATOM 1186 CA ASP B 84 -20.724 6.738 -35.968 1.00 49.57 C ANISOU 1186 CA ASP B 84 6997 5880 5956 -160 -1288 -389 C ATOM 1187 C ASP B 84 -20.197 8.165 -36.031 1.00 44.23 C ANISOU 1187 C ASP B 84 6364 5107 5334 -76 -1041 -483 C ATOM 1188 O ASP B 84 -19.978 8.712 -37.117 1.00 51.42 O ANISOU 1188 O ASP B 84 7482 5828 6229 66 -1006 -467 O ATOM 1189 CB ASP B 84 -22.223 6.719 -35.664 1.00 57.32 C ANISOU 1189 CB ASP B 84 7807 6971 7002 -163 -1431 -353 C ATOM 1190 CG ASP B 84 -22.778 5.310 -35.551 1.00 66.12 C ANISOU 1190 CG ASP B 84 8867 8189 8067 -251 -1675 -262 C ATOM 1191 OD1 ASP B 84 -22.219 4.391 -36.186 1.00 68.86 O ANISOU 1191 OD1 ASP B 84 9378 8462 8325 -253 -1778 -199 O ATOM 1192 OD2 ASP B 84 -23.768 5.118 -34.812 1.00 70.39 O ANISOU 1192 OD2 ASP B 84 9198 8887 8658 -320 -1762 -255 O ATOM 0 H ASP B 84 -20.482 5.675 -34.310 1.00 47.30 H new ATOM 0 HA ASP B 84 -20.584 6.326 -36.835 1.00 49.57 H new ATOM 0 HB2 ASP B 84 -22.388 7.195 -34.835 1.00 57.32 H new ATOM 0 HB3 ASP B 84 -22.698 7.195 -36.364 1.00 57.32 H new ATOM 1193 N LEU B 85 -19.966 8.769 -34.867 1.00 35.96 N ANISOU 1193 N LEU B 85 5125 4191 4349 -163 -867 -581 N ATOM 1194 CA LEU B 85 -19.443 10.130 -34.798 1.00 39.78 C ANISOU 1194 CA LEU B 85 5627 4599 4887 -97 -622 -677 C ATOM 1195 C LEU B 85 -18.085 10.254 -35.487 1.00 41.98 C ANISOU 1195 C LEU B 85 6136 4715 5101 -44 -501 -696 C ATOM 1196 O LEU B 85 -17.874 11.141 -36.321 1.00 48.25 O ANISOU 1196 O LEU B 85 7088 5339 5906 92 -405 -711 O ATOM 1197 CB LEU B 85 -19.320 10.538 -33.331 1.00 46.05 C ANISOU 1197 CB LEU B 85 6168 5582 5747 -225 -469 -776 C ATOM 1198 CG LEU B 85 -19.217 12.016 -32.979 1.00 59.01 C ANISOU 1198 CG LEU B 85 7744 7202 7474 -173 -236 -879 C ATOM 1199 CD1 LEU B 85 -20.554 12.674 -33.215 1.00 62.86 C ANISOU 1199 CD1 LEU B 85 8163 7684 8036 -83 -301 -859 C ATOM 1200 CD2 LEU B 85 -18.764 12.193 -31.540 1.00 60.90 C ANISOU 1200 CD2 LEU B 85 7763 7622 7755 -318 -82 -975 C ATOM 0 H LEU B 85 -20.107 8.404 -34.101 1.00 35.96 H new ATOM 0 HA LEU B 85 -20.058 10.718 -35.263 1.00 39.78 H new ATOM 0 HB2 LEU B 85 -20.089 10.179 -32.862 1.00 46.05 H new ATOM 0 HB3 LEU B 85 -18.536 10.096 -32.969 1.00 46.05 H new ATOM 0 HG LEU B 85 -18.553 12.439 -33.546 1.00 59.01 H new ATOM 0 HD11 LEU B 85 -20.495 13.616 -32.992 1.00 62.86 H new ATOM 0 HD12 LEU B 85 -20.802 12.577 -34.148 1.00 62.86 H new ATOM 0 HD13 LEU B 85 -21.226 12.252 -32.657 1.00 62.86 H new ATOM 0 HD21 LEU B 85 -18.704 13.139 -31.333 1.00 60.90 H new ATOM 0 HD22 LEU B 85 -19.404 11.773 -30.945 1.00 60.90 H new ATOM 0 HD23 LEU B 85 -17.894 11.781 -31.421 1.00 60.90 H new ATOM 1201 N PHE B 86 -17.153 9.364 -35.162 1.00 31.78 N ANISOU 1201 N PHE B 86 4866 3470 3740 -150 -506 -694 N ATOM 1202 CA PHE B 86 -15.796 9.471 -35.680 1.00 37.92 C ANISOU 1202 CA PHE B 86 5843 4109 4458 -116 -378 -720 C ATOM 1203 C PHE B 86 -15.613 8.795 -37.030 1.00 44.46 C ANISOU 1203 C PHE B 86 6930 4765 5199 -22 -528 -622 C ATOM 1204 O PHE B 86 -14.617 9.072 -37.710 1.00 46.61 O ANISOU 1204 O PHE B 86 7400 4883 5428 46 -424 -638 O ATOM 1205 CB PHE B 86 -14.815 8.900 -34.659 1.00 36.30 C ANISOU 1205 CB PHE B 86 5537 4035 4221 -275 -294 -772 C ATOM 1206 CG PHE B 86 -14.479 9.862 -33.543 1.00 36.74 C ANISOU 1206 CG PHE B 86 5413 4193 4353 -337 -63 -892 C ATOM 1207 CD1 PHE B 86 -15.131 11.090 -33.444 1.00 37.92 C ANISOU 1207 CD1 PHE B 86 5485 4330 4594 -260 41 -943 C ATOM 1208 CD2 PHE B 86 -13.534 9.532 -32.588 1.00 34.10 C ANISOU 1208 CD2 PHE B 86 4987 3972 4000 -473 45 -953 C ATOM 1209 CE1 PHE B 86 -14.826 11.979 -32.431 1.00 42.18 C ANISOU 1209 CE1 PHE B 86 5862 4961 5204 -315 253 -1053 C ATOM 1210 CE2 PHE B 86 -13.225 10.410 -31.561 1.00 38.79 C ANISOU 1210 CE2 PHE B 86 5416 4660 4663 -530 256 -1064 C ATOM 1211 CZ PHE B 86 -13.876 11.634 -31.479 1.00 44.16 C ANISOU 1211 CZ PHE B 86 6020 5324 5433 -452 360 -1114 C ATOM 0 H PHE B 86 -17.287 8.691 -34.643 1.00 31.78 H new ATOM 0 HA PHE B 86 -15.618 10.413 -35.824 1.00 37.92 H new ATOM 0 HB2 PHE B 86 -15.191 8.091 -34.277 1.00 36.30 H new ATOM 0 HB3 PHE B 86 -13.997 8.645 -35.114 1.00 36.30 H new ATOM 0 HD1 PHE B 86 -15.782 11.315 -34.070 1.00 37.92 H new ATOM 0 HD2 PHE B 86 -13.101 8.711 -32.636 1.00 34.10 H new ATOM 0 HE1 PHE B 86 -15.254 12.803 -32.387 1.00 42.18 H new ATOM 0 HE2 PHE B 86 -12.583 10.180 -30.928 1.00 38.79 H new ATOM 0 HZ PHE B 86 -13.676 12.222 -30.787 1.00 44.16 H new ATOM 1212 N GLY B 87 -16.553 7.941 -37.433 1.00 40.95 N ANISOU 1212 N GLY B 87 7073 5320 3165 1728 -614 -111 N ATOM 1213 CA GLY B 87 -16.492 7.252 -38.710 1.00 40.84 C ANISOU 1213 CA GLY B 87 7158 5331 3029 1850 -597 -176 C ATOM 1214 C GLY B 87 -15.491 6.121 -38.806 1.00 46.13 C ANISOU 1214 C GLY B 87 7747 5985 3794 1830 -560 -229 C ATOM 1215 O GLY B 87 -14.986 5.847 -39.899 1.00 53.40 O ANISOU 1215 O GLY B 87 8755 6912 4624 1921 -471 -252 O ATOM 0 H GLY B 87 -17.248 7.747 -36.965 1.00 40.95 H new ATOM 0 HA2 GLY B 87 -17.373 6.898 -38.909 1.00 40.84 H new ATOM 0 HA3 GLY B 87 -16.285 7.903 -39.399 1.00 40.84 H new ATOM 1216 N ALA B 88 -15.223 5.424 -37.702 1.00 43.68 N ANISOU 1216 N ALA B 88 7275 5658 3662 1716 -630 -254 N ATOM 1217 CA ALA B 88 -14.245 4.348 -37.670 1.00 46.11 C ANISOU 1217 CA ALA B 88 7493 5949 4079 1684 -598 -302 C ATOM 1218 C ALA B 88 -14.611 3.381 -36.557 1.00 45.94 C ANISOU 1218 C ALA B 88 7314 5931 4210 1589 -761 -360 C ATOM 1219 O ALA B 88 -15.206 3.793 -35.557 1.00 41.88 O ANISOU 1219 O ALA B 88 6733 5416 3764 1510 -845 -331 O ATOM 1220 CB ALA B 88 -12.828 4.887 -37.429 1.00 52.64 C ANISOU 1220 CB ALA B 88 8277 6726 4999 1616 -409 -227 C ATOM 0 H ALA B 88 -15.609 5.567 -36.947 1.00 43.68 H new ATOM 0 HA ALA B 88 -14.255 3.898 -38.529 1.00 46.11 H new ATOM 0 HB1 ALA B 88 -12.199 4.149 -37.413 1.00 52.64 H new ATOM 0 HB2 ALA B 88 -12.589 5.499 -38.142 1.00 52.64 H new ATOM 0 HB3 ALA B 88 -12.799 5.354 -36.579 1.00 52.64 H new ATOM 1221 N PRO B 89 -14.243 2.102 -36.688 1.00 42.77 N ANISOU 1221 N PRO B 89 6849 5535 3868 1592 -806 -440 N ATOM 1222 CA PRO B 89 -14.567 1.141 -35.624 1.00 42.29 C ANISOU 1222 CA PRO B 89 6635 5478 3957 1500 -962 -497 C ATOM 1223 C PRO B 89 -13.608 1.205 -34.447 1.00 42.31 C ANISOU 1223 C PRO B 89 6484 5435 4158 1356 -902 -451 C ATOM 1224 O PRO B 89 -13.925 0.657 -33.378 1.00 38.27 O ANISOU 1224 O PRO B 89 5839 4922 3779 1263 -1027 -479 O ATOM 1225 CB PRO B 89 -14.474 -0.213 -36.340 1.00 41.04 C ANISOU 1225 CB PRO B 89 6480 5341 3774 1569 -1017 -598 C ATOM 1226 CG PRO B 89 -13.444 0.007 -37.386 1.00 35.59 C ANISOU 1226 CG PRO B 89 5879 4634 3009 1638 -835 -575 C ATOM 1227 CD PRO B 89 -13.589 1.453 -37.835 1.00 42.03 C ANISOU 1227 CD PRO B 89 6823 5446 3702 1684 -725 -487 C ATOM 0 HA PRO B 89 -15.435 1.318 -35.228 1.00 42.29 H new ATOM 0 HB2 PRO B 89 -14.215 -0.921 -35.730 1.00 41.04 H new ATOM 0 HB3 PRO B 89 -15.325 -0.470 -36.728 1.00 41.04 H new ATOM 0 HG2 PRO B 89 -12.555 -0.158 -37.035 1.00 35.59 H new ATOM 0 HG3 PRO B 89 -13.573 -0.601 -38.131 1.00 35.59 H new ATOM 0 HD2 PRO B 89 -12.728 1.855 -38.030 1.00 42.03 H new ATOM 0 HD3 PRO B 89 -14.125 1.525 -38.640 1.00 42.03 H new ATOM 1228 N SER B 90 -12.453 1.849 -34.604 1.00 41.58 N ANISOU 1228 N SER B 90 6406 5304 4090 1335 -716 -381 N ATOM 1229 CA SER B 90 -11.439 1.859 -33.554 1.00 41.60 C ANISOU 1229 CA SER B 90 6264 5261 4280 1201 -648 -340 C ATOM 1230 C SER B 90 -10.440 2.965 -33.860 1.00 46.53 C ANISOU 1230 C SER B 90 6947 5850 4884 1198 -440 -245 C ATOM 1231 O SER B 90 -10.348 3.444 -34.994 1.00 42.11 O ANISOU 1231 O SER B 90 6530 5299 4172 1305 -343 -227 O ATOM 1232 CB SER B 90 -10.737 0.502 -33.436 1.00 45.83 C ANISOU 1232 CB SER B 90 6694 5789 4930 1170 -672 -413 C ATOM 1233 OG SER B 90 -10.128 0.134 -34.668 1.00 43.37 O ANISOU 1233 OG SER B 90 6476 5482 4521 1271 -572 -443 O ATOM 0 H SER B 90 -12.238 2.287 -35.312 1.00 41.58 H new ATOM 0 HA SER B 90 -11.865 2.027 -32.699 1.00 41.60 H new ATOM 0 HB2 SER B 90 -10.065 0.542 -32.738 1.00 45.83 H new ATOM 0 HB3 SER B 90 -11.379 -0.176 -33.173 1.00 45.83 H new ATOM 0 HG SER B 90 -9.748 -0.610 -34.582 1.00 43.37 H new ATOM 1234 N PHE B 91 -9.696 3.371 -32.831 1.00 33.40 N ANISOU 1234 N PHE B 91 5172 4145 3374 1075 -374 -183 N ATOM 1235 CA PHE B 91 -8.610 4.331 -33.001 1.00 38.30 C ANISOU 1235 CA PHE B 91 5826 4727 4001 1057 -173 -94 C ATOM 1236 C PHE B 91 -7.673 4.234 -31.805 1.00 39.09 C ANISOU 1236 C PHE B 91 5764 4782 4307 912 -129 -59 C ATOM 1237 O PHE B 91 -8.035 3.704 -30.751 1.00 34.51 O ANISOU 1237 O PHE B 91 5055 4203 3854 822 -257 -88 O ATOM 1238 CB PHE B 91 -9.135 5.767 -33.174 1.00 37.24 C ANISOU 1238 CB PHE B 91 5801 4594 3755 1088 -122 -11 C ATOM 1239 CG PHE B 91 -9.895 6.298 -31.985 1.00 37.58 C ANISOU 1239 CG PHE B 91 5768 4636 3873 997 -226 23 C ATOM 1240 CD1 PHE B 91 -9.241 6.984 -30.970 1.00 39.58 C ANISOU 1240 CD1 PHE B 91 5929 4848 4263 878 -150 101 C ATOM 1241 CD2 PHE B 91 -11.264 6.116 -31.885 1.00 38.28 C ANISOU 1241 CD2 PHE B 91 5881 4766 3898 1030 -400 -21 C ATOM 1242 CE1 PHE B 91 -9.939 7.471 -29.879 1.00 41.89 C ANISOU 1242 CE1 PHE B 91 6152 5140 4624 795 -246 133 C ATOM 1243 CE2 PHE B 91 -11.966 6.605 -30.799 1.00 42.44 C ANISOU 1243 CE2 PHE B 91 6339 5293 4493 948 -495 11 C ATOM 1244 CZ PHE B 91 -11.304 7.280 -29.793 1.00 39.47 C ANISOU 1244 CZ PHE B 91 5869 4875 4252 830 -419 87 C ATOM 0 H PHE B 91 -9.806 3.100 -32.022 1.00 33.40 H new ATOM 0 HA PHE B 91 -8.127 4.113 -33.813 1.00 38.30 H new ATOM 0 HB2 PHE B 91 -8.385 6.355 -33.354 1.00 37.24 H new ATOM 0 HB3 PHE B 91 -9.712 5.797 -33.953 1.00 37.24 H new ATOM 0 HD1 PHE B 91 -8.322 7.118 -31.024 1.00 39.58 H new ATOM 0 HD2 PHE B 91 -11.717 5.659 -32.557 1.00 38.28 H new ATOM 0 HE1 PHE B 91 -9.489 7.926 -29.204 1.00 41.89 H new ATOM 0 HE2 PHE B 91 -12.886 6.479 -30.746 1.00 42.44 H new ATOM 0 HZ PHE B 91 -11.776 7.605 -29.060 1.00 39.47 H new ATOM 1245 N SER B 92 -6.459 4.749 -31.979 1.00 37.38 N ANISOU 1245 N SER B 92 5554 4527 4123 890 54 3 N ATOM 1246 CA SER B 92 -5.490 4.817 -30.895 1.00 30.97 C ANISOU 1246 CA SER B 92 4600 3670 3499 755 119 48 C ATOM 1247 C SER B 92 -5.383 6.247 -30.397 1.00 34.24 C ANISOU 1247 C SER B 92 5031 4057 3922 702 210 156 C ATOM 1248 O SER B 92 -5.252 7.179 -31.196 1.00 37.27 O ANISOU 1248 O SER B 92 5543 4438 4179 774 329 211 O ATOM 1249 CB SER B 92 -4.113 4.316 -31.338 1.00 39.14 C ANISOU 1249 CB SER B 92 5611 4676 4585 755 261 42 C ATOM 1250 OG SER B 92 -3.178 4.446 -30.275 1.00 34.70 O ANISOU 1250 OG SER B 92 4913 4069 4203 623 327 90 O ATOM 0 H SER B 92 -6.177 5.067 -32.726 1.00 37.38 H new ATOM 0 HA SER B 92 -5.799 4.241 -30.179 1.00 30.97 H new ATOM 0 HB2 SER B 92 -4.172 3.388 -31.614 1.00 39.14 H new ATOM 0 HB3 SER B 92 -3.810 4.822 -32.108 1.00 39.14 H new ATOM 0 HG SER B 92 -3.194 3.752 -29.801 1.00 34.70 H new ATOM 1251 N VAL B 93 -5.397 6.406 -29.071 1.00 33.80 N ANISOU 1251 N VAL B 93 4842 3980 4019 575 158 185 N ATOM 1252 CA VAL B 93 -5.181 7.703 -28.453 1.00 35.65 C ANISOU 1252 CA VAL B 93 5071 4185 4290 508 246 288 C ATOM 1253 C VAL B 93 -3.814 8.257 -28.815 1.00 35.96 C ANISOU 1253 C VAL B 93 5134 4182 4347 499 458 354 C ATOM 1254 O VAL B 93 -3.598 9.472 -28.756 1.00 39.02 O ANISOU 1254 O VAL B 93 5570 4548 4707 486 565 443 O ATOM 1255 CB VAL B 93 -5.358 7.579 -26.921 1.00 34.66 C ANISOU 1255 CB VAL B 93 4782 4044 4344 367 146 297 C ATOM 1256 CG1 VAL B 93 -5.091 8.907 -26.226 1.00 44.03 C ANISOU 1256 CG1 VAL B 93 5955 5198 5579 291 237 403 C ATOM 1257 CG2 VAL B 93 -6.753 7.089 -26.602 1.00 37.90 C ANISOU 1257 CG2 VAL B 93 5176 4497 4727 381 -63 234 C ATOM 0 H VAL B 93 -5.532 5.766 -28.513 1.00 33.80 H new ATOM 0 HA VAL B 93 -5.839 8.331 -28.790 1.00 35.65 H new ATOM 0 HB VAL B 93 -4.711 6.936 -26.591 1.00 34.66 H new ATOM 0 HG11 VAL B 93 -5.209 8.801 -25.269 1.00 44.03 H new ATOM 0 HG12 VAL B 93 -4.182 9.192 -26.410 1.00 44.03 H new ATOM 0 HG13 VAL B 93 -5.712 9.576 -26.556 1.00 44.03 H new ATOM 0 HG21 VAL B 93 -6.858 7.013 -25.641 1.00 37.90 H new ATOM 0 HG22 VAL B 93 -7.404 7.718 -26.949 1.00 37.90 H new ATOM 0 HG23 VAL B 93 -6.893 6.221 -27.011 1.00 37.90 H new ATOM 1258 N LYS B 94 -2.883 7.396 -29.225 1.00 33.98 N ANISOU 1258 N LYS B 94 4853 3920 4139 510 522 313 N ATOM 1259 CA LYS B 94 -1.565 7.890 -29.602 1.00 41.26 C ANISOU 1259 CA LYS B 94 5798 4802 5076 504 725 375 C ATOM 1260 C LYS B 94 -1.603 8.675 -30.908 1.00 47.92 C ANISOU 1260 C LYS B 94 6822 5658 5727 630 837 409 C ATOM 1261 O LYS B 94 -0.671 9.440 -31.190 1.00 51.56 O ANISOU 1261 O LYS B 94 7322 6086 6181 627 1010 482 O ATOM 1262 CB LYS B 94 -0.580 6.725 -29.711 1.00 42.05 C ANISOU 1262 CB LYS B 94 5818 4888 5270 485 759 319 C ATOM 1263 CG LYS B 94 -0.333 5.973 -28.402 1.00 44.39 C ANISOU 1263 CG LYS B 94 5930 5167 5771 352 673 292 C ATOM 1264 CD LYS B 94 0.636 4.825 -28.642 1.00 50.89 C ANISOU 1264 CD LYS B 94 6689 5978 6671 346 713 235 C ATOM 1265 CE LYS B 94 1.100 4.191 -27.341 1.00 53.06 C ANISOU 1265 CE LYS B 94 6778 6226 7158 207 660 222 C ATOM 1266 NZ LYS B 94 1.858 2.929 -27.566 1.00 53.28 N ANISOU 1266 NZ LYS B 94 6740 6249 7255 206 667 151 N ATOM 0 H LYS B 94 -2.991 6.545 -29.290 1.00 33.98 H new ATOM 0 HA LYS B 94 -1.269 8.498 -28.907 1.00 41.26 H new ATOM 0 HB2 LYS B 94 -0.911 6.098 -30.373 1.00 42.05 H new ATOM 0 HB3 LYS B 94 0.267 7.063 -30.040 1.00 42.05 H new ATOM 0 HG2 LYS B 94 0.028 6.578 -27.735 1.00 44.39 H new ATOM 0 HG3 LYS B 94 -1.171 5.632 -28.052 1.00 44.39 H new ATOM 0 HD2 LYS B 94 0.209 4.152 -29.194 1.00 50.89 H new ATOM 0 HD3 LYS B 94 1.406 5.150 -29.135 1.00 50.89 H new ATOM 0 HE2 LYS B 94 1.659 4.820 -26.859 1.00 53.06 H new ATOM 0 HE3 LYS B 94 0.330 4.008 -26.780 1.00 53.06 H new ATOM 0 HZ1 LYS B 94 2.111 2.591 -26.783 1.00 53.28 H new ATOM 0 HZ2 LYS B 94 1.339 2.342 -27.989 1.00 53.28 H new ATOM 0 HZ3 LYS B 94 2.578 3.099 -28.061 1.00 53.28 H new ATOM 1267 N GLU B 95 -2.651 8.500 -31.713 1.00 40.49 N ANISOU 1267 N GLU B 95 5991 4762 4631 740 743 359 N ATOM 1268 CA GLU B 95 -2.797 9.230 -32.973 1.00 38.81 C ANISOU 1268 CA GLU B 95 5955 4565 4228 865 836 388 C ATOM 1269 C GLU B 95 -3.488 10.563 -32.691 1.00 43.98 C ANISOU 1269 C GLU B 95 6669 5219 4821 858 839 466 C ATOM 1270 O GLU B 95 -4.628 10.809 -33.093 1.00 45.59 O ANISOU 1270 O GLU B 95 6966 5461 4897 932 745 448 O ATOM 1271 CB GLU B 95 -3.581 8.398 -33.973 1.00 37.52 C ANISOU 1271 CB GLU B 95 5879 4449 3926 987 735 297 C ATOM 1272 CG GLU B 95 -3.043 7.011 -34.179 1.00 49.60 C ANISOU 1272 CG GLU B 95 7343 5983 5520 992 707 212 C ATOM 1273 CD GLU B 95 -3.942 6.205 -35.090 1.00 67.36 C ANISOU 1273 CD GLU B 95 9675 8282 7636 1110 590 121 C ATOM 1274 OE1 GLU B 95 -3.545 5.952 -36.248 1.00 71.56 O ANISOU 1274 OE1 GLU B 95 10304 8823 8060 1210 671 97 O ATOM 1275 OE2 GLU B 95 -5.061 5.846 -34.645 1.00 67.97 O ANISOU 1275 OE2 GLU B 95 9724 8389 7714 1102 416 74 O ATOM 0 H GLU B 95 -3.296 7.956 -31.545 1.00 40.49 H new ATOM 0 HA GLU B 95 -1.925 9.405 -33.361 1.00 38.81 H new ATOM 0 HB2 GLU B 95 -4.502 8.335 -33.674 1.00 37.52 H new ATOM 0 HB3 GLU B 95 -3.590 8.860 -34.826 1.00 37.52 H new ATOM 0 HG2 GLU B 95 -2.152 7.060 -34.560 1.00 49.60 H new ATOM 0 HG3 GLU B 95 -2.961 6.563 -33.323 1.00 49.60 H new ATOM 1276 N HIS B 96 -2.762 11.428 -31.975 1.00 42.87 N ANISOU 1276 N HIS B 96 5172 5279 5837 -608 307 249 N ATOM 1277 CA HIS B 96 -3.337 12.672 -31.458 1.00 46.85 C ANISOU 1277 CA HIS B 96 5698 5762 6341 -644 274 253 C ATOM 1278 C HIS B 96 -3.975 13.503 -32.563 1.00 40.70 C ANISOU 1278 C HIS B 96 4923 5033 5509 -586 303 252 C ATOM 1279 O HIS B 96 -5.134 13.920 -32.454 1.00 39.38 O ANISOU 1279 O HIS B 96 4788 4876 5298 -588 287 194 O ATOM 1280 CB HIS B 96 -2.258 13.490 -30.742 1.00 55.29 C ANISOU 1280 CB HIS B 96 6745 6780 7481 -695 252 343 C ATOM 1281 CG HIS B 96 -1.631 12.783 -29.582 1.00 62.26 C ANISOU 1281 CG HIS B 96 7625 7615 8416 -754 219 349 C ATOM 1282 ND1 HIS B 96 -2.336 11.929 -28.761 1.00 62.94 N ANISOU 1282 ND1 HIS B 96 7746 7681 8489 -788 191 271 N ATOM 1283 CD2 HIS B 96 -0.361 12.794 -29.112 1.00 66.41 C ANISOU 1283 CD2 HIS B 96 8116 8111 9005 -784 210 423 C ATOM 1284 CE1 HIS B 96 -1.528 11.450 -27.831 1.00 62.23 C ANISOU 1284 CE1 HIS B 96 7645 7548 8451 -834 166 300 C ATOM 1285 NE2 HIS B 96 -0.325 11.959 -28.022 1.00 65.55 N ANISOU 1285 NE2 HIS B 96 8023 7966 8920 -832 176 391 N ATOM 0 H HIS B 96 -1.933 11.311 -31.778 1.00 42.87 H new ATOM 0 HA HIS B 96 -4.036 12.435 -30.828 1.00 46.85 H new ATOM 0 HB2 HIS B 96 -1.565 13.724 -31.380 1.00 55.29 H new ATOM 0 HB3 HIS B 96 -2.649 14.321 -30.430 1.00 55.29 H new ATOM 0 HD1 HIS B 96 -3.171 11.738 -28.841 1.00 62.94 H new ATOM 0 HD2 HIS B 96 0.353 13.277 -29.462 1.00 66.41 H new ATOM 0 HE1 HIS B 96 -1.766 10.855 -27.157 1.00 62.23 H new ATOM 1286 N ARG B 97 -3.229 13.744 -33.640 1.00 38.55 N ANISOU 1286 N ARG B 97 4616 4793 5237 -530 345 315 N ATOM 1287 CA ARG B 97 -3.720 14.590 -34.721 1.00 39.21 C ANISOU 1287 CA ARG B 97 4702 4924 5271 -470 375 325 C ATOM 1288 C ARG B 97 -4.995 14.027 -35.342 1.00 39.38 C ANISOU 1288 C ARG B 97 4748 5002 5214 -425 386 229 C ATOM 1289 O ARG B 97 -5.937 14.779 -35.627 1.00 34.49 O ANISOU 1289 O ARG B 97 4149 4407 4548 -404 382 203 O ATOM 1290 CB ARG B 97 -2.632 14.754 -35.784 1.00 42.35 C ANISOU 1290 CB ARG B 97 5060 5346 5683 -417 423 405 C ATOM 0 H ARG B 97 -2.439 13.427 -33.762 1.00 38.55 H new ATOM 0 HA ARG B 97 -3.939 15.459 -34.349 1.00 39.21 H new ATOM 1291 N LYS B 98 -5.037 12.710 -35.574 1.00 38.96 N ANISOU 1291 N LYS B 98 4690 4972 5143 -408 401 177 N ATOM 1292 CA LYS B 98 -6.209 12.099 -36.201 1.00 38.02 C ANISOU 1292 CA LYS B 98 4588 4910 4947 -367 416 82 C ATOM 1293 C LYS B 98 -7.440 12.238 -35.320 1.00 35.91 C ANISOU 1293 C LYS B 98 4360 4626 4656 -412 373 2 C ATOM 1294 O LYS B 98 -8.559 12.420 -35.820 1.00 32.48 O ANISOU 1294 O LYS B 98 3943 4241 4157 -378 377 -60 O ATOM 1295 CB LYS B 98 -5.942 10.623 -36.504 1.00 41.62 C ANISOU 1295 CB LYS B 98 5033 5384 5396 -351 443 42 C ATOM 0 H LYS B 98 -4.405 12.161 -35.378 1.00 38.96 H new ATOM 0 HA LYS B 98 -6.379 12.567 -37.033 1.00 38.02 H new ATOM 1296 N ILE B 99 -7.265 12.133 -34.001 1.00 31.91 N ANISOU 1296 N ILE B 99 3870 4055 4201 -486 333 0 N ATOM 1297 CA ILE B 99 -8.426 12.256 -33.128 1.00 29.81 C ANISOU 1297 CA ILE B 99 3643 3769 3914 -532 293 -77 C ATOM 1298 C ILE B 99 -8.957 13.679 -33.164 1.00 29.62 C ANISOU 1298 C ILE B 99 3631 3748 3877 -528 278 -53 C ATOM 1299 O ILE B 99 -10.174 13.899 -33.255 1.00 30.90 O ANISOU 1299 O ILE B 99 3817 3939 3985 -516 269 -123 O ATOM 1300 CB ILE B 99 -8.080 11.808 -31.700 1.00 36.30 C ANISOU 1300 CB ILE B 99 4481 4519 4794 -613 254 -82 C ATOM 1301 CG1 ILE B 99 -7.772 10.314 -31.690 1.00 40.06 C ANISOU 1301 CG1 ILE B 99 4953 4996 5272 -611 272 -120 C ATOM 1302 CG2 ILE B 99 -9.229 12.099 -30.751 1.00 39.59 C ANISOU 1302 CG2 ILE B 99 4939 4909 5194 -664 213 -153 C ATOM 1303 CD1 ILE B 99 -7.103 9.856 -30.421 1.00 42.31 C ANISOU 1303 CD1 ILE B 99 5245 5211 5619 -679 241 -100 C ATOM 0 H ILE B 99 -6.513 11.996 -33.607 1.00 31.91 H new ATOM 0 HA ILE B 99 -9.129 11.670 -33.449 1.00 29.81 H new ATOM 0 HB ILE B 99 -7.301 12.303 -31.402 1.00 36.30 H new ATOM 0 HG12 ILE B 99 -8.597 9.819 -31.811 1.00 40.06 H new ATOM 0 HG13 ILE B 99 -7.201 10.102 -32.445 1.00 40.06 H new ATOM 0 HG21 ILE B 99 -8.991 11.809 -29.856 1.00 39.59 H new ATOM 0 HG22 ILE B 99 -9.410 13.052 -30.744 1.00 39.59 H new ATOM 0 HG23 ILE B 99 -10.021 11.622 -31.045 1.00 39.59 H new ATOM 0 HD11 ILE B 99 -6.932 8.902 -30.471 1.00 42.31 H new ATOM 0 HD12 ILE B 99 -6.264 10.329 -30.308 1.00 42.31 H new ATOM 0 HD13 ILE B 99 -7.682 10.041 -29.665 1.00 42.31 H new ATOM 1304 N TYR B 100 -8.052 14.665 -33.126 1.00 27.63 N ANISOU 1304 N TYR B 100 3362 3466 3671 -536 279 45 N ATOM 1305 CA TYR B 100 -8.463 16.065 -33.206 1.00 27.30 C ANISOU 1305 CA TYR B 100 3332 3422 3617 -529 272 76 C ATOM 1306 C TYR B 100 -9.212 16.350 -34.500 1.00 29.82 C ANISOU 1306 C TYR B 100 3651 3817 3863 -445 305 52 C ATOM 1307 O TYR B 100 -10.214 17.075 -34.500 1.00 29.51 O ANISOU 1307 O TYR B 100 3635 3792 3784 -435 293 19 O ATOM 1308 CB TYR B 100 -7.250 16.979 -33.086 1.00 27.56 C ANISOU 1308 CB TYR B 100 3344 3415 3713 -547 278 187 C ATOM 1309 CG TYR B 100 -6.982 17.374 -31.651 1.00 35.35 C ANISOU 1309 CG TYR B 100 4346 4326 4760 -637 233 205 C ATOM 1310 CD1 TYR B 100 -7.584 18.496 -31.095 1.00 32.31 C ANISOU 1310 CD1 TYR B 100 3989 3912 4375 -669 210 207 C ATOM 1311 CD2 TYR B 100 -6.148 16.601 -30.846 1.00 32.19 C ANISOU 1311 CD2 TYR B 100 3933 3884 4414 -688 215 219 C ATOM 1312 CE1 TYR B 100 -7.345 18.855 -29.780 1.00 32.63 C ANISOU 1312 CE1 TYR B 100 4043 3884 4469 -753 170 222 C ATOM 1313 CE2 TYR B 100 -5.907 16.948 -29.519 1.00 33.37 C ANISOU 1313 CE2 TYR B 100 4095 3968 4616 -771 172 235 C ATOM 1314 CZ TYR B 100 -6.512 18.074 -28.998 1.00 35.82 C ANISOU 1314 CZ TYR B 100 4433 4251 4925 -805 150 235 C ATOM 1315 OH TYR B 100 -6.286 18.428 -27.683 1.00 43.58 O ANISOU 1315 OH TYR B 100 5431 5170 5959 -889 108 248 O ATOM 0 H TYR B 100 -7.204 14.542 -33.055 1.00 27.63 H new ATOM 0 HA TYR B 100 -9.066 16.241 -32.467 1.00 27.30 H new ATOM 0 HB2 TYR B 100 -6.470 16.530 -33.449 1.00 27.56 H new ATOM 0 HB3 TYR B 100 -7.392 17.776 -33.620 1.00 27.56 H new ATOM 0 HD1 TYR B 100 -8.156 19.014 -31.614 1.00 32.31 H new ATOM 0 HD2 TYR B 100 -5.746 15.841 -31.201 1.00 32.19 H new ATOM 0 HE1 TYR B 100 -7.742 19.617 -29.424 1.00 32.63 H new ATOM 0 HE2 TYR B 100 -5.346 16.428 -28.991 1.00 33.37 H new ATOM 0 HH TYR B 100 -5.669 17.953 -27.367 1.00 43.58 H new ATOM 1316 N THR B 101 -8.718 15.818 -35.614 1.00 33.96 N ANISOU 1316 N THR B 101 4147 4390 4366 -383 348 71 N ATOM 1317 CA THR B 101 -9.396 16.003 -36.889 1.00 31.10 C ANISOU 1317 CA THR B 101 3782 4105 3929 -301 380 46 C ATOM 1318 C THR B 101 -10.822 15.476 -36.827 1.00 31.97 C ANISOU 1318 C THR B 101 3916 4256 3975 -295 363 -69 C ATOM 1319 O THR B 101 -11.762 16.135 -37.292 1.00 32.34 O ANISOU 1319 O THR B 101 3975 4346 3967 -255 364 -96 O ATOM 1320 CB THR B 101 -8.606 15.300 -37.995 1.00 30.98 C ANISOU 1320 CB THR B 101 3733 4132 3904 -244 427 76 C ATOM 1321 OG1 THR B 101 -7.305 15.895 -38.105 1.00 36.08 O ANISOU 1321 OG1 THR B 101 4357 4745 4609 -247 444 184 O ATOM 1322 CG2 THR B 101 -9.348 15.399 -39.329 1.00 33.87 C ANISOU 1322 CG2 THR B 101 4097 4584 4187 -158 460 44 C ATOM 0 H THR B 101 -7.997 15.350 -35.652 1.00 33.96 H new ATOM 0 HA THR B 101 -9.442 16.952 -37.086 1.00 31.10 H new ATOM 0 HB THR B 101 -8.511 14.361 -37.769 1.00 30.98 H new ATOM 0 HG1 THR B 101 -6.834 15.663 -37.449 1.00 36.08 H new ATOM 0 HG21 THR B 101 -8.835 14.949 -40.019 1.00 33.87 H new ATOM 0 HG22 THR B 101 -10.218 14.978 -39.247 1.00 33.87 H new ATOM 0 HG23 THR B 101 -9.462 16.332 -39.568 1.00 33.87 H new ATOM 1323 N MET B 102 -11.008 14.275 -36.268 1.00 33.98 N ANISOU 1323 N MET B 102 4176 4499 4235 -333 351 -138 N ATOM 1324 CA MET B 102 -12.357 13.719 -36.188 1.00 30.06 C ANISOU 1324 CA MET B 102 3702 4041 3679 -332 338 -254 C ATOM 1325 C MET B 102 -13.243 14.567 -35.286 1.00 32.40 C ANISOU 1325 C MET B 102 4030 4306 3975 -375 296 -282 C ATOM 1326 O MET B 102 -14.399 14.833 -35.619 1.00 33.76 O ANISOU 1326 O MET B 102 4215 4528 4087 -345 292 -345 O ATOM 1327 CB MET B 102 -12.319 12.265 -35.711 1.00 39.18 C ANISOU 1327 CB MET B 102 4861 5181 4844 -369 338 -320 C ATOM 1328 CG MET B 102 -11.594 11.333 -36.685 1.00 47.92 C ANISOU 1328 CG MET B 102 5939 6326 5941 -321 384 -306 C ATOM 1329 SD MET B 102 -11.476 9.606 -36.159 1.00 48.56 S ANISOU 1329 SD MET B 102 6028 6386 6036 -360 392 -378 S ATOM 1330 CE MET B 102 -10.556 9.783 -34.634 1.00 34.92 C ANISOU 1330 CE MET B 102 4311 4554 4403 -445 351 -315 C ATOM 0 H MET B 102 -10.385 13.781 -35.939 1.00 33.98 H new ATOM 0 HA MET B 102 -12.741 13.732 -37.079 1.00 30.06 H new ATOM 0 HB2 MET B 102 -11.881 12.225 -34.847 1.00 39.18 H new ATOM 0 HB3 MET B 102 -13.227 11.948 -35.584 1.00 39.18 H new ATOM 0 HG2 MET B 102 -12.050 11.365 -37.540 1.00 47.92 H new ATOM 0 HG3 MET B 102 -10.697 11.674 -36.829 1.00 47.92 H new ATOM 0 HE1 MET B 102 -10.404 8.908 -34.244 1.00 34.92 H new ATOM 0 HE2 MET B 102 -9.703 10.207 -34.818 1.00 34.92 H new ATOM 0 HE3 MET B 102 -11.061 10.330 -34.013 1.00 34.92 H new ATOM 1331 N ILE B 103 -12.699 15.041 -34.162 1.00 30.12 N ANISOU 1331 N ILE B 103 3753 3938 3755 -444 265 -233 N ATOM 1332 CA ILE B 103 -13.477 15.885 -33.260 1.00 31.32 C ANISOU 1332 CA ILE B 103 3935 4053 3911 -489 226 -255 C ATOM 1333 C ILE B 103 -13.892 17.179 -33.949 1.00 33.47 C ANISOU 1333 C ILE B 103 4209 4359 4149 -435 237 -218 C ATOM 1334 O ILE B 103 -15.030 17.642 -33.789 1.00 28.34 O ANISOU 1334 O ILE B 103 3581 3726 3459 -432 219 -273 O ATOM 1335 CB ILE B 103 -12.691 16.161 -31.962 1.00 32.65 C ANISOU 1335 CB ILE B 103 4113 4131 4160 -573 194 -202 C ATOM 1336 CG1 ILE B 103 -12.477 14.860 -31.194 1.00 27.29 C ANISOU 1336 CG1 ILE B 103 3440 3420 3507 -624 180 -251 C ATOM 1337 CG2 ILE B 103 -13.452 17.128 -31.086 1.00 31.68 C ANISOU 1337 CG2 ILE B 103 4023 3970 4043 -618 158 -218 C ATOM 1338 CD1 ILE B 103 -11.543 14.999 -29.992 1.00 34.40 C ANISOU 1338 CD1 ILE B 103 4344 4239 4488 -702 150 -193 C ATOM 0 H ILE B 103 -11.892 14.887 -33.908 1.00 30.12 H new ATOM 0 HA ILE B 103 -14.288 15.411 -33.019 1.00 31.32 H new ATOM 0 HB ILE B 103 -11.833 16.546 -32.200 1.00 32.65 H new ATOM 0 HG12 ILE B 103 -13.336 14.530 -30.889 1.00 27.29 H new ATOM 0 HG13 ILE B 103 -12.115 14.193 -31.799 1.00 27.29 H new ATOM 0 HG21 ILE B 103 -12.949 17.294 -30.274 1.00 31.68 H new ATOM 0 HG22 ILE B 103 -13.581 17.963 -31.562 1.00 31.68 H new ATOM 0 HG23 ILE B 103 -14.315 16.749 -30.859 1.00 31.68 H new ATOM 0 HD11 ILE B 103 -11.452 14.139 -29.552 1.00 34.40 H new ATOM 0 HD12 ILE B 103 -10.672 15.302 -30.292 1.00 34.40 H new ATOM 0 HD13 ILE B 103 -11.912 15.644 -29.368 1.00 34.40 H new ATOM 1339 N TYR B 104 -12.973 17.806 -34.694 1.00 29.29 N ANISOU 1339 N TYR B 104 3657 3836 3635 -394 267 -123 N ATOM 1340 CA TYR B 104 -13.289 19.083 -35.333 1.00 29.70 C ANISOU 1340 CA TYR B 104 3714 3913 3656 -342 282 -79 C ATOM 1341 C TYR B 104 -14.405 18.944 -36.361 1.00 34.77 C ANISOU 1341 C TYR B 104 4357 4645 4210 -265 298 -146 C ATOM 1342 O TYR B 104 -15.100 19.922 -36.656 1.00 38.31 O ANISOU 1342 O TYR B 104 4818 5116 4620 -228 298 -141 O ATOM 1343 CB TYR B 104 -12.047 19.704 -35.980 1.00 32.82 C ANISOU 1343 CB TYR B 104 4086 4298 4085 -312 316 34 C ATOM 1344 CG TYR B 104 -11.199 20.356 -34.931 1.00 33.53 C ANISOU 1344 CG TYR B 104 4182 4302 4256 -387 296 104 C ATOM 1345 CD1 TYR B 104 -11.746 21.293 -34.067 1.00 40.20 C ANISOU 1345 CD1 TYR B 104 5057 5102 5115 -432 267 102 C ATOM 1346 CD2 TYR B 104 -9.846 20.060 -34.814 1.00 31.50 C ANISOU 1346 CD2 TYR B 104 3899 4010 4060 -412 308 172 C ATOM 1347 CE1 TYR B 104 -10.987 21.886 -33.081 1.00 40.76 C ANISOU 1347 CE1 TYR B 104 5133 5095 5257 -505 249 162 C ATOM 1348 CE2 TYR B 104 -9.068 20.654 -33.821 1.00 37.05 C ANISOU 1348 CE2 TYR B 104 4603 4637 4835 -484 288 233 C ATOM 1349 CZ TYR B 104 -9.649 21.567 -32.965 1.00 41.14 C ANISOU 1349 CZ TYR B 104 5153 5113 5364 -531 259 227 C ATOM 1350 OH TYR B 104 -8.907 22.164 -31.980 1.00 43.20 O ANISOU 1350 OH TYR B 104 5418 5303 5695 -605 239 283 O ATOM 0 H TYR B 104 -12.177 17.513 -34.838 1.00 29.29 H new ATOM 0 HA TYR B 104 -13.601 19.676 -34.632 1.00 29.70 H new ATOM 0 HB2 TYR B 104 -11.536 19.020 -36.441 1.00 32.82 H new ATOM 0 HB3 TYR B 104 -12.312 20.358 -36.646 1.00 32.82 H new ATOM 0 HD1 TYR B 104 -12.642 21.526 -34.155 1.00 40.20 H new ATOM 0 HD2 TYR B 104 -9.455 19.458 -35.405 1.00 31.50 H new ATOM 0 HE1 TYR B 104 -11.374 22.498 -32.497 1.00 40.76 H new ATOM 0 HE2 TYR B 104 -8.168 20.437 -33.737 1.00 37.05 H new ATOM 0 HH TYR B 104 -8.116 21.885 -32.017 1.00 43.20 H new ATOM 1351 N ARG B 105 -14.553 17.765 -36.961 1.00 31.47 N ANISOU 1351 N ARG B 105 3921 4281 3754 -235 315 -205 N ATOM 1352 CA ARG B 105 -15.676 17.528 -37.852 1.00 32.74 C ANISOU 1352 CA ARG B 105 4081 4532 3828 -169 327 -282 C ATOM 1353 C ARG B 105 -17.002 17.531 -37.110 1.00 33.18 C ANISOU 1353 C ARG B 105 4162 4589 3855 -203 290 -378 C ATOM 1354 O ARG B 105 -18.059 17.595 -37.749 1.00 33.27 O ANISOU 1354 O ARG B 105 4174 4674 3793 -150 293 -440 O ATOM 1355 CB ARG B 105 -15.476 16.194 -38.570 1.00 39.25 C ANISOU 1355 CB ARG B 105 4882 5406 4624 -141 355 -328 C ATOM 1356 CG ARG B 105 -14.299 16.211 -39.520 1.00 40.60 C ANISOU 1356 CG ARG B 105 5025 5590 4810 -94 397 -240 C ATOM 1357 CD ARG B 105 -14.117 14.885 -40.200 1.00 48.59 C ANISOU 1357 CD ARG B 105 6016 6650 5795 -68 427 -286 C ATOM 1358 NE ARG B 105 -12.972 14.900 -41.105 1.00 62.55 N ANISOU 1358 NE ARG B 105 7757 8429 7579 -23 468 -201 N ATOM 1359 CZ ARG B 105 -12.337 13.806 -41.505 1.00 68.08 C ANISOU 1359 CZ ARG B 105 8437 9142 8287 -16 497 -208 C ATOM 1360 NH1 ARG B 105 -12.737 12.620 -41.068 1.00 68.63 N ANISOU 1360 NH1 ARG B 105 8514 9213 8351 -51 489 -295 N ATOM 1361 NH2 ARG B 105 -11.308 13.896 -42.337 1.00 67.13 N ANISOU 1361 NH2 ARG B 105 8293 9031 8182 26 535 -129 N ATOM 0 H ARG B 105 -14.019 17.098 -36.865 1.00 31.47 H new ATOM 0 HA ARG B 105 -15.708 18.251 -38.497 1.00 32.74 H new ATOM 0 HB2 ARG B 105 -15.345 15.494 -37.912 1.00 39.25 H new ATOM 0 HB3 ARG B 105 -16.281 15.973 -39.063 1.00 39.25 H new ATOM 0 HG2 ARG B 105 -14.431 16.902 -40.188 1.00 40.60 H new ATOM 0 HG3 ARG B 105 -13.492 16.439 -39.032 1.00 40.60 H new ATOM 0 HD2 ARG B 105 -13.994 14.192 -39.532 1.00 48.59 H new ATOM 0 HD3 ARG B 105 -14.920 14.662 -40.696 1.00 48.59 H new ATOM 0 HE ARG B 105 -12.694 15.660 -41.395 1.00 62.55 H new ATOM 0 HH11 ARG B 105 -13.404 12.563 -40.529 1.00 68.63 H new ATOM 0 HH12 ARG B 105 -12.329 11.907 -41.324 1.00 68.63 H new ATOM 0 HH21 ARG B 105 -11.050 14.666 -42.620 1.00 67.13 H new ATOM 0 HH22 ARG B 105 -10.899 13.184 -42.594 1.00 67.13 H new ATOM 1362 N ASN B 106 -16.976 17.468 -35.778 1.00 33.33 N ANISOU 1362 N ASN B 106 4203 4532 3929 -289 254 -392 N ATOM 1363 CA ASN B 106 -18.197 17.386 -34.988 1.00 31.47 C ANISOU 1363 CA ASN B 106 3994 4292 3672 -328 219 -486 C ATOM 1364 C ASN B 106 -18.360 18.594 -34.074 1.00 32.24 C ANISOU 1364 C ASN B 106 4118 4326 3806 -372 189 -446 C ATOM 1365 O ASN B 106 -19.187 18.567 -33.150 1.00 32.79 O ANISOU 1365 O ASN B 106 4212 4368 3877 -424 156 -513 O ATOM 1366 CB ASN B 106 -18.192 16.086 -34.177 1.00 31.74 C ANISOU 1366 CB ASN B 106 4036 4294 3730 -394 204 -557 C ATOM 1367 CG ASN B 106 -18.392 14.869 -35.056 1.00 40.25 C ANISOU 1367 CG ASN B 106 5094 5443 4757 -351 234 -623 C ATOM 1368 OD1 ASN B 106 -19.517 14.557 -35.439 1.00 38.76 O ANISOU 1368 OD1 ASN B 106 4907 5319 4502 -324 235 -715 O ATOM 1369 ND2 ASN B 106 -17.291 14.196 -35.420 1.00 34.23 N ANISOU 1369 ND2 ASN B 106 4311 4672 4024 -344 261 -576 N ATOM 0 H ASN B 106 -16.253 17.472 -35.313 1.00 33.33 H new ATOM 0 HA ASN B 106 -18.955 17.385 -35.593 1.00 31.47 H new ATOM 0 HB2 ASN B 106 -17.351 16.006 -33.701 1.00 31.74 H new ATOM 0 HB3 ASN B 106 -18.894 16.120 -33.508 1.00 31.74 H new ATOM 0 HD21 ASN B 106 -17.356 13.516 -35.942 1.00 34.23 H new ATOM 0 HD22 ASN B 106 -16.520 14.445 -35.131 1.00 34.23 H new ATOM 1370 N LEU B 107 -17.641 19.679 -34.364 1.00 32.48 N ANISOU 1370 N LEU B 107 4144 4334 3862 -349 204 -343 N ATOM 1371 CA LEU B 107 -17.692 20.906 -33.582 1.00 42.01 C ANISOU 1371 CA LEU B 107 5377 5480 5107 -388 183 -295 C ATOM 1372 C LEU B 107 -17.684 22.097 -34.519 1.00 40.12 C ANISOU 1372 C LEU B 107 5134 5273 4837 -313 211 -226 C ATOM 1373 O LEU B 107 -17.106 22.045 -35.608 1.00 38.38 O ANISOU 1373 O LEU B 107 4890 5096 4597 -249 248 -179 O ATOM 1374 CB LEU B 107 -16.469 21.081 -32.668 1.00 44.90 C ANISOU 1374 CB LEU B 107 5745 5755 5561 -463 172 -218 C ATOM 1375 CG LEU B 107 -16.108 20.146 -31.529 1.00 48.02 C ANISOU 1375 CG LEU B 107 6145 6092 6008 -549 143 -251 C ATOM 1376 CD1 LEU B 107 -14.715 20.454 -31.096 1.00 41.05 C ANISOU 1376 CD1 LEU B 107 5251 5145 5201 -592 145 -152 C ATOM 1377 CD2 LEU B 107 -17.069 20.376 -30.384 1.00 51.66 C ANISOU 1377 CD2 LEU B 107 6642 6512 6473 -612 102 -315 C ATOM 0 H LEU B 107 -17.102 19.719 -35.033 1.00 32.48 H new ATOM 0 HA LEU B 107 -18.496 20.851 -33.043 1.00 42.01 H new ATOM 0 HB2 LEU B 107 -15.696 21.102 -33.254 1.00 44.90 H new ATOM 0 HB3 LEU B 107 -16.551 21.964 -32.275 1.00 44.90 H new ATOM 0 HG LEU B 107 -16.166 19.220 -31.811 1.00 48.02 H new ATOM 0 HD11 LEU B 107 -14.465 19.865 -30.367 1.00 41.05 H new ATOM 0 HD12 LEU B 107 -14.108 20.322 -31.841 1.00 41.05 H new ATOM 0 HD13 LEU B 107 -14.665 21.376 -30.799 1.00 41.05 H new ATOM 0 HD21 LEU B 107 -16.846 19.782 -29.650 1.00 51.66 H new ATOM 0 HD22 LEU B 107 -17.003 21.297 -30.086 1.00 51.66 H new ATOM 0 HD23 LEU B 107 -17.975 20.197 -30.681 1.00 51.66 H new ATOM 1378 N VAL B 108 -18.273 23.190 -34.051 1.00 34.22 N ANISOU 1378 N VAL B 108 4414 4498 4090 -324 196 -216 N ATOM 1379 CA VAL B 108 -18.179 24.494 -34.698 1.00 40.55 C ANISOU 1379 CA VAL B 108 5222 5308 4877 -267 223 -138 C ATOM 1380 C VAL B 108 -17.594 25.485 -33.701 1.00 43.46 C ANISOU 1380 C VAL B 108 5614 5583 5318 -336 212 -67 C ATOM 1381 O VAL B 108 -18.031 25.533 -32.544 1.00 40.15 O ANISOU 1381 O VAL B 108 5218 5111 4927 -410 176 -107 O ATOM 1382 CB VAL B 108 -19.544 24.979 -35.210 1.00 38.05 C ANISOU 1382 CB VAL B 108 4917 5057 4482 -201 222 -192 C ATOM 1383 CG1 VAL B 108 -19.390 26.357 -35.823 1.00 39.91 C ANISOU 1383 CG1 VAL B 108 5164 5293 4706 -142 252 -105 C ATOM 1384 CG2 VAL B 108 -20.090 23.995 -36.234 1.00 39.54 C ANISOU 1384 CG2 VAL B 108 5080 5346 4598 -133 234 -264 C ATOM 0 H VAL B 108 -18.748 23.196 -33.334 1.00 34.22 H new ATOM 0 HA VAL B 108 -17.602 24.420 -35.474 1.00 40.55 H new ATOM 0 HB VAL B 108 -20.170 25.032 -34.471 1.00 38.05 H new ATOM 0 HG11 VAL B 108 -20.251 26.665 -36.147 1.00 39.91 H new ATOM 0 HG12 VAL B 108 -19.057 26.974 -35.153 1.00 39.91 H new ATOM 0 HG13 VAL B 108 -18.763 26.314 -36.562 1.00 39.91 H new ATOM 0 HG21 VAL B 108 -20.951 24.305 -36.554 1.00 39.54 H new ATOM 0 HG22 VAL B 108 -19.473 23.928 -36.980 1.00 39.54 H new ATOM 0 HG23 VAL B 108 -20.194 23.123 -35.822 1.00 39.54 H new ATOM 1385 N VAL B 109 -16.605 26.271 -34.139 1.00 38.75 N ANISOU 1385 N VAL B 109 5011 4962 4750 -316 245 37 N ATOM 1386 CA VAL B 109 -16.061 27.310 -33.268 1.00 39.83 C ANISOU 1386 CA VAL B 109 5169 5012 4951 -380 240 106 C ATOM 1387 C VAL B 109 -17.074 28.442 -33.155 1.00 41.55 C ANISOU 1387 C VAL B 109 5422 5228 5138 -358 238 98 C ATOM 1388 O VAL B 109 -17.642 28.891 -34.160 1.00 35.22 O ANISOU 1388 O VAL B 109 4622 4488 4273 -268 264 102 O ATOM 1389 CB VAL B 109 -14.712 27.822 -33.796 1.00 37.30 C ANISOU 1389 CB VAL B 109 4832 4670 4670 -365 280 216 C ATOM 1390 CG1 VAL B 109 -14.117 28.821 -32.807 1.00 37.72 C ANISOU 1390 CG1 VAL B 109 4906 4632 4793 -442 274 280 C ATOM 1391 CG2 VAL B 109 -13.742 26.670 -34.007 1.00 37.69 C ANISOU 1391 CG2 VAL B 109 4845 4729 4746 -377 284 222 C ATOM 0 H VAL B 109 -16.245 26.220 -34.918 1.00 38.75 H new ATOM 0 HA VAL B 109 -15.899 26.938 -32.387 1.00 39.83 H new ATOM 0 HB VAL B 109 -14.862 28.259 -34.649 1.00 37.30 H new ATOM 0 HG11 VAL B 109 -13.266 29.142 -33.144 1.00 37.72 H new ATOM 0 HG12 VAL B 109 -14.724 29.570 -32.698 1.00 37.72 H new ATOM 0 HG13 VAL B 109 -13.982 28.387 -31.950 1.00 37.72 H new ATOM 0 HG21 VAL B 109 -12.898 27.014 -34.340 1.00 37.69 H new ATOM 0 HG22 VAL B 109 -13.594 26.213 -33.164 1.00 37.69 H new ATOM 0 HG23 VAL B 109 -14.114 26.048 -34.651 1.00 37.69 H new ATOM 1392 N VAL B 110 -17.280 28.929 -31.933 1.00 39.88 N ANISOU 1392 N VAL B 110 5238 4945 4970 -438 209 91 N ATOM 1393 CA VAL B 110 -18.280 29.962 -31.654 1.00 38.32 C ANISOU 1393 CA VAL B 110 5076 4736 4748 -428 205 77 C ATOM 1394 C VAL B 110 -17.714 31.361 -31.816 1.00 44.67 C ANISOU 1394 C VAL B 110 5899 5496 5578 -417 241 179 C ATOM 1395 O VAL B 110 -18.304 32.202 -32.499 1.00 50.75 O ANISOU 1395 O VAL B 110 6685 6298 6300 -344 267 197 O ATOM 1396 CB VAL B 110 -18.842 29.766 -30.232 1.00 37.81 C ANISOU 1396 CB VAL B 110 5035 4614 4716 -523 157 13 C ATOM 1397 CG1 VAL B 110 -19.641 30.986 -29.828 1.00 34.71 C ANISOU 1397 CG1 VAL B 110 4680 4191 4315 -525 156 18 C ATOM 1398 CG2 VAL B 110 -19.718 28.524 -30.181 1.00 36.20 C ANISOU 1398 CG2 VAL B 110 4820 4463 4471 -520 127 -99 C ATOM 0 H VAL B 110 -16.843 28.670 -31.239 1.00 39.88 H new ATOM 0 HA VAL B 110 -18.996 29.870 -32.302 1.00 38.32 H new ATOM 0 HB VAL B 110 -18.105 29.650 -29.612 1.00 37.81 H new ATOM 0 HG11 VAL B 110 -19.994 30.860 -28.933 1.00 34.71 H new ATOM 0 HG12 VAL B 110 -19.067 31.768 -29.842 1.00 34.71 H new ATOM 0 HG13 VAL B 110 -20.375 31.113 -30.449 1.00 34.71 H new ATOM 0 HG21 VAL B 110 -20.066 28.410 -29.283 1.00 36.20 H new ATOM 0 HG22 VAL B 110 -20.456 28.622 -30.803 1.00 36.20 H new ATOM 0 HG23 VAL B 110 -19.192 27.746 -30.424 1.00 36.20 H new ATOM 1399 N ASN B 111 -16.593 31.645 -31.166 1.00 52.50 N ANISOU 1399 N ASN B 111 6890 6413 6644 -490 244 244 N ATOM 1400 CA ASN B 111 -16.005 32.974 -31.214 1.00 68.53 C ANISOU 1400 CA ASN B 111 8940 8394 8705 -492 280 338 C ATOM 1401 C ASN B 111 -14.558 32.905 -31.680 1.00 81.74 C ANISOU 1401 C ASN B 111 10583 10054 10419 -494 313 421 C ATOM 1402 O ASN B 111 -13.990 33.901 -32.126 1.00 87.14 O ANISOU 1402 O ASN B 111 11277 10718 11115 -470 356 503 O ATOM 1403 CB ASN B 111 -16.092 33.653 -29.847 1.00 67.94 C ANISOU 1403 CB ASN B 111 8898 8232 8685 -590 256 341 C ATOM 1404 CG ASN B 111 -15.550 32.788 -28.727 1.00 68.76 C ANISOU 1404 CG ASN B 111 8988 8289 8847 -693 213 312 C ATOM 1405 OD1 ASN B 111 -14.992 31.719 -28.965 1.00 70.40 O ANISOU 1405 OD1 ASN B 111 9162 8525 9061 -692 204 299 O ATOM 1406 ND2 ASN B 111 -15.709 33.252 -27.493 1.00 71.18 N ANISOU 1406 ND2 ASN B 111 9323 8525 9197 -781 186 302 N ATOM 1407 OXT ASN B 111 -13.929 31.849 -31.635 1.00 86.60 O ANISOU 1407 OXT ASN B 111 11167 10681 11056 -518 298 407 O ATOM 0 H ASN B 111 -16.156 31.078 -30.689 1.00 52.50 H new ATOM 0 HA ASN B 111 -16.508 33.504 -31.852 1.00 68.53 H new ATOM 0 HB2 ASN B 111 -15.599 34.488 -29.873 1.00 67.94 H new ATOM 0 HB3 ASN B 111 -17.017 33.876 -29.659 1.00 67.94 H new ATOM 0 HD21 ASN B 111 -15.416 32.800 -26.823 1.00 71.18 H new ATOM 0 HD22 ASN B 111 -16.105 34.005 -27.364 1.00 71.18 H new TER 1408 ASN B 111 ATOM 1409 N THR C 17 -0.549 1.745 -17.723 1.00 47.31 N ANISOU 1409 N THR C 17 5550 6465 5962 689 -529 839 N ATOM 1410 CA THR C 17 -0.935 3.094 -18.116 1.00 42.63 C ANISOU 1410 CA THR C 17 4928 5876 5395 629 -426 763 C ATOM 1411 C THR C 17 -2.390 3.101 -18.553 1.00 37.18 C ANISOU 1411 C THR C 17 4356 5127 4644 612 -345 722 C ATOM 1412 O THR C 17 -2.763 2.477 -19.545 1.00 35.22 O ANISOU 1412 O THR C 17 4153 4813 4415 708 -289 741 O ATOM 1413 CB THR C 17 -0.052 3.647 -19.247 1.00 40.71 C ANISOU 1413 CB THR C 17 4569 5621 5276 709 -348 759 C ATOM 1414 OG1 THR C 17 1.322 3.597 -18.844 1.00 45.38 O ANISOU 1414 OG1 THR C 17 5051 6266 5926 728 -426 800 O ATOM 1415 CG2 THR C 17 -0.427 5.092 -19.561 1.00 38.49 C ANISOU 1415 CG2 THR C 17 4254 5350 5019 638 -247 679 C ATOM 0 HA THR C 17 -0.814 3.669 -17.344 1.00 42.63 H new ATOM 0 HB THR C 17 -0.188 3.106 -20.041 1.00 40.71 H new ATOM 0 HG1 THR C 17 1.462 2.890 -18.413 1.00 45.38 H new ATOM 0 HG21 THR C 17 0.138 5.425 -20.275 1.00 38.49 H new ATOM 0 HG22 THR C 17 -1.356 5.133 -19.838 1.00 38.49 H new ATOM 0 HG23 THR C 17 -0.303 5.638 -18.769 1.00 38.49 H new ATOM 1416 N SER C 18 -3.205 3.820 -17.791 1.00 32.28 N ANISOU 1416 N SER C 18 3784 4532 3950 489 -339 667 N ATOM 1417 CA SER C 18 -4.635 3.862 -18.019 1.00 26.69 C ANISOU 1417 CA SER C 18 3192 3775 3172 457 -272 626 C ATOM 1418 C SER C 18 -4.979 4.685 -19.255 1.00 26.89 C ANISOU 1418 C SER C 18 3196 3759 3263 489 -134 576 C ATOM 1419 O SER C 18 -4.223 5.562 -19.691 1.00 28.38 O ANISOU 1419 O SER C 18 3276 3970 3537 496 -88 554 O ATOM 1420 CB SER C 18 -5.335 4.478 -16.808 1.00 31.11 C ANISOU 1420 CB SER C 18 3802 4379 3639 310 -306 578 C ATOM 1421 OG SER C 18 -4.950 5.836 -16.683 1.00 31.15 O ANISOU 1421 OG SER C 18 3718 4431 3688 237 -264 524 O ATOM 0 H SER C 18 -2.940 4.297 -17.126 1.00 32.28 H new ATOM 0 HA SER C 18 -4.937 2.951 -18.157 1.00 26.69 H new ATOM 0 HB2 SER C 18 -6.297 4.412 -16.910 1.00 31.11 H new ATOM 0 HB3 SER C 18 -5.101 3.990 -16.003 1.00 31.11 H new ATOM 0 HG SER C 18 -4.210 5.882 -16.289 1.00 31.15 H new ATOM 1422 N PHE C 19 -6.162 4.404 -19.813 1.00 27.02 N ANISOU 1422 N PHE C 19 3318 3713 3236 507 -68 558 N ATOM 1423 CA PHE C 19 -6.724 5.297 -20.820 1.00 24.65 C ANISOU 1423 CA PHE C 19 3013 3376 2978 511 64 501 C ATOM 1424 C PHE C 19 -6.777 6.732 -20.308 1.00 29.35 C ANISOU 1424 C PHE C 19 3556 4022 3573 391 96 431 C ATOM 1425 O PHE C 19 -6.495 7.683 -21.048 1.00 27.76 O ANISOU 1425 O PHE C 19 3280 3820 3448 400 183 393 O ATOM 1426 CB PHE C 19 -8.127 4.831 -21.237 1.00 25.52 C ANISOU 1426 CB PHE C 19 3257 3419 3021 521 118 486 C ATOM 1427 CG PHE C 19 -8.871 5.863 -22.039 1.00 26.22 C ANISOU 1427 CG PHE C 19 3353 3477 3134 496 247 418 C ATOM 1428 CD1 PHE C 19 -8.666 5.967 -23.408 1.00 31.29 C ANISOU 1428 CD1 PHE C 19 3955 4070 3862 595 341 418 C ATOM 1429 CD2 PHE C 19 -9.764 6.737 -21.429 1.00 20.97 C ANISOU 1429 CD2 PHE C 19 2732 2830 2405 373 275 354 C ATOM 1430 CE1 PHE C 19 -9.326 6.920 -24.157 1.00 29.45 C ANISOU 1430 CE1 PHE C 19 3726 3810 3653 573 459 357 C ATOM 1431 CE2 PHE C 19 -10.417 7.714 -22.171 1.00 24.87 C ANISOU 1431 CE2 PHE C 19 3228 3297 2924 350 394 292 C ATOM 1432 CZ PHE C 19 -10.209 7.795 -23.545 1.00 27.39 C ANISOU 1432 CZ PHE C 19 3508 3568 3330 451 486 293 C ATOM 0 H PHE C 19 -6.642 3.716 -19.625 1.00 27.02 H new ATOM 0 HA PHE C 19 -6.144 5.271 -21.597 1.00 24.65 H new ATOM 0 HB2 PHE C 19 -8.051 4.016 -21.758 1.00 25.52 H new ATOM 0 HB3 PHE C 19 -8.640 4.613 -20.443 1.00 25.52 H new ATOM 0 HD1 PHE C 19 -8.074 5.385 -23.827 1.00 31.29 H new ATOM 0 HD2 PHE C 19 -9.926 6.667 -20.516 1.00 20.97 H new ATOM 0 HE1 PHE C 19 -9.178 6.975 -25.073 1.00 29.45 H new ATOM 0 HE2 PHE C 19 -10.992 8.312 -21.751 1.00 24.87 H new ATOM 0 HZ PHE C 19 -10.660 8.433 -24.049 1.00 27.39 H new ATOM 1433 N ALA C 20 -7.135 6.911 -19.040 1.00 27.62 N ANISOU 1433 N ALA C 20 3377 3849 3269 277 27 414 N ATOM 1434 CA ALA C 20 -7.222 8.259 -18.495 1.00 26.49 C ANISOU 1434 CA ALA C 20 3189 3755 3120 158 55 347 C ATOM 1435 C ALA C 20 -5.895 8.992 -18.619 1.00 25.94 C ANISOU 1435 C ALA C 20 2975 3735 3148 169 52 347 C ATOM 1436 O ALA C 20 -5.872 10.182 -18.959 1.00 28.96 O ANISOU 1436 O ALA C 20 3298 4130 3576 128 131 291 O ATOM 1437 CB ALA C 20 -7.695 8.204 -17.037 1.00 24.80 C ANISOU 1437 CB ALA C 20 3038 3586 2799 39 -34 337 C ATOM 0 H ALA C 20 -7.328 6.279 -18.489 1.00 27.62 H new ATOM 0 HA ALA C 20 -7.873 8.759 -19.012 1.00 26.49 H new ATOM 0 HB1 ALA C 20 -7.751 9.104 -16.680 1.00 24.80 H new ATOM 0 HB2 ALA C 20 -8.569 7.786 -16.996 1.00 24.80 H new ATOM 0 HB3 ALA C 20 -7.065 7.687 -16.511 1.00 24.80 H new ATOM 1438 N GLU C 21 -4.774 8.297 -18.373 1.00 31.30 N ANISOU 1438 N GLU C 21 3591 4439 3861 227 -36 410 N ATOM 1439 CA GLU C 21 -3.469 8.940 -18.487 1.00 28.15 C ANISOU 1439 CA GLU C 21 3053 4087 3557 242 -42 413 C ATOM 1440 C GLU C 21 -3.101 9.200 -19.944 1.00 36.66 C ANISOU 1440 C GLU C 21 4068 5121 4740 346 61 410 C ATOM 1441 O GLU C 21 -2.528 10.247 -20.270 1.00 33.28 O ANISOU 1441 O GLU C 21 3541 4718 4385 330 113 375 O ATOM 1442 CB GLU C 21 -2.396 8.087 -17.809 1.00 30.79 C ANISOU 1442 CB GLU C 21 3342 4460 3897 276 -167 483 C ATOM 1443 CG GLU C 21 -1.003 8.741 -17.825 1.00 33.63 C ANISOU 1443 CG GLU C 21 3553 4872 4351 286 -183 490 C ATOM 1444 CD GLU C 21 -0.003 8.060 -16.904 1.00 42.71 C ANISOU 1444 CD GLU C 21 4660 6073 5494 289 -315 551 C ATOM 1445 OE1 GLU C 21 1.151 8.541 -16.838 1.00 46.03 O ANISOU 1445 OE1 GLU C 21 4963 6539 5988 294 -338 559 O ATOM 1446 OE2 GLU C 21 -0.358 7.050 -16.255 1.00 38.31 O1- ANISOU 1446 OE2 GLU C 21 4186 5511 4860 287 -397 590 O1- ATOM 0 H GLU C 21 -4.753 7.468 -18.144 1.00 31.30 H new ATOM 0 HA GLU C 21 -3.519 9.798 -18.037 1.00 28.15 H new ATOM 0 HB2 GLU C 21 -2.657 7.919 -16.890 1.00 30.79 H new ATOM 0 HB3 GLU C 21 -2.348 7.226 -18.252 1.00 30.79 H new ATOM 0 HG2 GLU C 21 -0.658 8.728 -18.731 1.00 33.63 H new ATOM 0 HG3 GLU C 21 -1.088 9.672 -17.567 1.00 33.63 H new ATOM 1447 N TYR C 22 -3.424 8.263 -20.838 1.00 32.65 N ANISOU 1447 N TYR C 22 3616 4546 4243 454 91 446 N ATOM 1448 CA TYR C 22 -3.170 8.501 -22.260 1.00 29.56 C ANISOU 1448 CA TYR C 22 3175 4109 3948 552 195 441 C ATOM 1449 C TYR C 22 -3.968 9.694 -22.754 1.00 31.98 C ANISOU 1449 C TYR C 22 3489 4399 4261 494 312 363 C ATOM 1450 O TYR C 22 -3.452 10.528 -23.515 1.00 34.59 O ANISOU 1450 O TYR C 22 3731 4732 4681 520 387 336 O ATOM 1451 CB TYR C 22 -3.523 7.265 -23.085 1.00 29.35 C ANISOU 1451 CB TYR C 22 3222 4011 3919 670 208 490 C ATOM 1452 CG TYR C 22 -2.511 6.154 -23.069 1.00 33.07 C ANISOU 1452 CG TYR C 22 3656 4485 4424 764 123 569 C ATOM 1453 CD1 TYR C 22 -2.852 4.890 -22.611 1.00 35.82 C ANISOU 1453 CD1 TYR C 22 4094 4815 4702 791 43 621 C ATOM 1454 CD2 TYR C 22 -1.228 6.350 -23.562 1.00 37.54 C ANISOU 1454 CD2 TYR C 22 4098 5070 5096 832 125 594 C ATOM 1455 CE1 TYR C 22 -1.941 3.860 -22.623 1.00 35.25 C ANISOU 1455 CE1 TYR C 22 3989 4743 4661 880 -33 694 C ATOM 1456 CE2 TYR C 22 -0.305 5.324 -23.570 1.00 42.90 C ANISOU 1456 CE2 TYR C 22 4743 5750 5807 921 48 667 C ATOM 1457 CZ TYR C 22 -0.667 4.085 -23.100 1.00 44.44 C ANISOU 1457 CZ TYR C 22 5028 5927 5930 944 -30 717 C ATOM 1458 OH TYR C 22 0.249 3.062 -23.108 1.00 46.43 O ANISOU 1458 OH TYR C 22 5246 6179 6215 1033 -106 791 O ATOM 0 H TYR C 22 -3.781 7.504 -20.649 1.00 32.65 H new ATOM 0 HA TYR C 22 -2.225 8.690 -22.367 1.00 29.56 H new ATOM 0 HB2 TYR C 22 -4.368 6.914 -22.764 1.00 29.35 H new ATOM 0 HB3 TYR C 22 -3.661 7.540 -24.005 1.00 29.35 H new ATOM 0 HD1 TYR C 22 -3.711 4.736 -22.290 1.00 35.82 H new ATOM 0 HD2 TYR C 22 -0.987 7.185 -23.892 1.00 37.54 H new ATOM 0 HE1 TYR C 22 -2.182 3.018 -22.312 1.00 35.25 H new ATOM 0 HE2 TYR C 22 0.555 5.470 -23.891 1.00 42.90 H new ATOM 0 HH TYR C 22 0.976 3.339 -23.424 1.00 46.43 H new ATOM 1459 N TRP C 23 -5.235 9.791 -22.342 1.00 28.42 N ANISOU 1459 N TRP C 23 3147 3932 3719 417 330 325 N ATOM 1460 CA TRP C 23 -6.098 10.837 -22.857 1.00 30.65 C ANISOU 1460 CA TRP C 23 3450 4193 4004 367 443 254 C ATOM 1461 C TRP C 23 -5.609 12.196 -22.350 1.00 39.11 C ANISOU 1461 C TRP C 23 4427 5328 5105 270 455 202 C ATOM 1462 O TRP C 23 -5.754 13.207 -23.047 1.00 33.13 O ANISOU 1462 O TRP C 23 3627 4560 4400 259 556 150 O ATOM 1463 CB TRP C 23 -7.558 10.550 -22.465 1.00 31.95 C ANISOU 1463 CB TRP C 23 3755 4325 4059 306 452 230 C ATOM 1464 CG TRP C 23 -8.605 11.433 -23.126 1.00 33.83 C ANISOU 1464 CG TRP C 23 4033 4526 4294 270 574 162 C ATOM 1465 CD1 TRP C 23 -9.227 12.519 -22.567 1.00 34.00 C ANISOU 1465 CD1 TRP C 23 4065 4576 4276 148 607 95 C ATOM 1466 CD2 TRP C 23 -9.162 11.288 -24.443 1.00 31.25 C ANISOU 1466 CD2 TRP C 23 3743 4127 4005 354 677 155 C ATOM 1467 NE1 TRP C 23 -10.119 13.066 -23.462 1.00 30.34 N ANISOU 1467 NE1 TRP C 23 3641 4063 3825 152 725 48 N ATOM 1468 CE2 TRP C 23 -10.095 12.332 -24.620 1.00 31.26 C ANISOU 1468 CE2 TRP C 23 3773 4118 3988 277 770 83 C ATOM 1469 CE3 TRP C 23 -8.955 10.384 -25.492 1.00 36.69 C ANISOU 1469 CE3 TRP C 23 4441 4760 4740 487 701 203 C ATOM 1470 CZ2 TRP C 23 -10.833 12.488 -25.803 1.00 33.61 C ANISOU 1470 CZ2 TRP C 23 4109 4349 4311 328 883 59 C ATOM 1471 CZ3 TRP C 23 -9.687 10.544 -26.672 1.00 34.89 C ANISOU 1471 CZ3 TRP C 23 4252 4466 4538 537 815 178 C ATOM 1472 CH2 TRP C 23 -10.603 11.589 -26.817 1.00 30.52 C ANISOU 1472 CH2 TRP C 23 3726 3904 3965 459 903 107 C ATOM 0 H TRP C 23 -5.604 9.264 -21.771 1.00 28.42 H new ATOM 0 HA TRP C 23 -6.063 10.857 -23.826 1.00 30.65 H new ATOM 0 HB2 TRP C 23 -7.757 9.625 -22.679 1.00 31.95 H new ATOM 0 HB3 TRP C 23 -7.641 10.643 -21.503 1.00 31.95 H new ATOM 0 HD1 TRP C 23 -9.070 12.840 -21.708 1.00 34.00 H new ATOM 0 HE1 TRP C 23 -10.611 13.756 -23.318 1.00 30.34 H new ATOM 0 HE3 TRP C 23 -8.342 9.690 -25.405 1.00 36.69 H new ATOM 0 HZ2 TRP C 23 -11.454 13.174 -25.897 1.00 33.61 H new ATOM 0 HZ3 TRP C 23 -9.562 9.945 -27.372 1.00 34.89 H new ATOM 0 HH2 TRP C 23 -11.068 11.678 -27.618 1.00 30.52 H new HETATM 1473 N1 G2B C 24 -5.378 12.244 -21.024 1.00 30.46 N HETATM 1474 C2 G2B C 24 -3.888 13.456 -19.543 1.00 34.32 C HETATM 1475 N2 G2B C 24 -2.824 13.092 -20.498 1.00 42.86 N HETATM 1476 CA G2B C 24 -5.231 13.511 -20.281 1.00 30.68 C HETATM 1477 C G2B C 24 -2.471 13.869 -21.590 1.00 46.03 C HETATM 1478 O G2B C 24 -2.928 14.969 -21.838 1.00 51.90 O HETATM 1479 CB G2B C 24 -6.324 13.778 -19.248 1.00 31.98 C HETATM 1480 N1 G2B C 25 -1.516 13.320 -22.355 1.00 43.43 N HETATM 1481 C2 G2B C 25 -1.222 13.057 -24.792 1.00 47.85 C HETATM 1482 N2 G2B C 25 -2.670 12.825 -24.910 1.00 48.80 N HETATM 1483 CA G2B C 25 -0.949 13.942 -23.564 1.00 46.40 C HETATM 1484 C G2B C 25 -3.411 13.680 -25.689 1.00 50.88 C HETATM 1485 O G2B C 25 -2.908 14.571 -26.353 1.00 51.25 O HETATM 1486 CB G2B C 25 0.561 14.188 -23.447 1.00 50.62 C TER 1487 G2B C 25 ATOM 1488 N THR D 17 -18.484 21.615 -15.651 1.00 53.37 N ANISOU 1488 N THR D 17 6595 6194 7489 148 154 487 N ATOM 1489 CA THR D 17 -17.156 21.082 -15.354 1.00 41.57 C ANISOU 1489 CA THR D 17 5103 4796 5897 162 161 400 C ATOM 1490 C THR D 17 -17.230 19.614 -14.978 1.00 32.31 C ANISOU 1490 C THR D 17 3993 3671 4611 184 0 365 C ATOM 1491 O THR D 17 -17.839 19.244 -13.976 1.00 36.84 O ANISOU 1491 O THR D 17 4540 4241 5218 124 -51 330 O ATOM 1492 CB THR D 17 -16.478 21.843 -14.217 1.00 41.52 C ANISOU 1492 CB THR D 17 4985 4821 5968 73 299 307 C ATOM 1493 OG1 THR D 17 -16.453 23.237 -14.537 1.00 51.40 O ANISOU 1493 OG1 THR D 17 6175 6024 7331 49 451 340 O ATOM 1494 CG2 THR D 17 -15.052 21.358 -14.049 1.00 41.03 C ANISOU 1494 CG2 THR D 17 4929 4857 5804 95 313 224 C ATOM 0 HA THR D 17 -16.630 21.189 -16.162 1.00 41.57 H new ATOM 0 HB THR D 17 -16.971 21.693 -13.395 1.00 41.52 H new ATOM 0 HG1 THR D 17 -17.141 23.436 -14.976 1.00 51.40 H new ATOM 0 HG21 THR D 17 -14.627 21.845 -13.326 1.00 41.03 H new ATOM 0 HG22 THR D 17 -15.055 20.410 -13.842 1.00 41.03 H new ATOM 0 HG23 THR D 17 -14.560 21.508 -14.872 1.00 41.03 H new ATOM 1495 N SER D 18 -16.622 18.785 -15.819 1.00 32.06 N ANISOU 1495 N SER D 18 4050 3686 4447 273 -81 378 N ATOM 1496 CA SER D 18 -16.661 17.341 -15.666 1.00 24.41 C ANISOU 1496 CA SER D 18 3155 2764 3358 309 -242 356 C ATOM 1497 C SER D 18 -15.793 16.892 -14.493 1.00 25.51 C ANISOU 1497 C SER D 18 3246 2983 3461 258 -231 239 C ATOM 1498 O SER D 18 -14.837 17.565 -14.097 1.00 27.13 O ANISOU 1498 O SER D 18 3384 3227 3698 223 -105 177 O ATOM 1499 CB SER D 18 -16.154 16.674 -16.939 1.00 26.14 C ANISOU 1499 CB SER D 18 3475 3010 3446 419 -316 401 C ATOM 1500 OG SER D 18 -14.780 17.035 -17.120 1.00 25.44 O ANISOU 1500 OG SER D 18 3364 2983 3321 436 -215 349 O ATOM 0 H SER D 18 -16.171 19.050 -16.501 1.00 32.06 H new ATOM 0 HA SER D 18 -17.580 17.081 -15.495 1.00 24.41 H new ATOM 0 HB2 SER D 18 -16.244 15.710 -16.874 1.00 26.14 H new ATOM 0 HB3 SER D 18 -16.681 16.958 -17.702 1.00 26.14 H new ATOM 0 HG SER D 18 -14.725 17.654 -17.686 1.00 25.44 H new ATOM 1501 N PHE D 19 -16.124 15.713 -13.964 1.00 24.59 N ANISOU 1501 N PHE D 19 3171 2895 3276 258 -370 211 N ATOM 1502 CA PHE D 19 -15.247 15.048 -13.012 1.00 23.36 C ANISOU 1502 CA PHE D 19 2994 2824 3058 228 -388 106 C ATOM 1503 C PHE D 19 -13.835 14.903 -13.577 1.00 27.43 C ANISOU 1503 C PHE D 19 3534 3411 3477 287 -350 71 C ATOM 1504 O PHE D 19 -12.850 15.120 -12.869 1.00 29.79 O ANISOU 1504 O PHE D 19 3773 3769 3778 247 -269 -16 O ATOM 1505 CB PHE D 19 -15.819 13.674 -12.638 1.00 18.31 C ANISOU 1505 CB PHE D 19 2417 2203 2337 241 -563 96 C ATOM 1506 CG PHE D 19 -14.861 12.842 -11.863 1.00 21.53 C ANISOU 1506 CG PHE D 19 2821 2701 2658 229 -600 -4 C ATOM 1507 CD1 PHE D 19 -14.766 12.975 -10.484 1.00 23.34 C ANISOU 1507 CD1 PHE D 19 2970 2954 2946 135 -558 -89 C ATOM 1508 CD2 PHE D 19 -13.989 11.974 -12.505 1.00 27.26 C ANISOU 1508 CD2 PHE D 19 3621 3491 3246 310 -670 -16 C ATOM 1509 CE1 PHE D 19 -13.833 12.243 -9.773 1.00 29.96 C ANISOU 1509 CE1 PHE D 19 3802 3877 3705 123 -587 -183 C ATOM 1510 CE2 PHE D 19 -13.073 11.246 -11.804 1.00 25.56 C ANISOU 1510 CE2 PHE D 19 3400 3359 2953 298 -700 -109 C ATOM 1511 CZ PHE D 19 -12.990 11.376 -10.440 1.00 31.33 C ANISOU 1511 CZ PHE D 19 4050 4112 3741 205 -659 -192 C ATOM 0 H PHE D 19 -16.849 15.287 -14.145 1.00 24.59 H new ATOM 0 HA PHE D 19 -15.195 15.595 -12.212 1.00 23.36 H new ATOM 0 HB2 PHE D 19 -16.629 13.796 -12.118 1.00 18.31 H new ATOM 0 HB3 PHE D 19 -16.070 13.202 -13.447 1.00 18.31 H new ATOM 0 HD1 PHE D 19 -15.333 13.560 -10.036 1.00 23.34 H new ATOM 0 HD2 PHE D 19 -14.030 11.887 -13.430 1.00 27.26 H new ATOM 0 HE1 PHE D 19 -13.773 12.334 -8.849 1.00 29.96 H new ATOM 0 HE2 PHE D 19 -12.504 10.661 -12.250 1.00 25.56 H new ATOM 0 HZ PHE D 19 -12.365 10.879 -9.964 1.00 31.33 H new ATOM 1512 N ALA D 20 -13.719 14.545 -14.863 1.00 22.92 N ANISOU 1512 N ALA D 20 3050 2836 2821 384 -407 138 N ATOM 1513 CA ALA D 20 -12.403 14.390 -15.469 1.00 24.77 C ANISOU 1513 CA ALA D 20 3313 3137 2961 444 -374 109 C ATOM 1514 C ALA D 20 -11.591 15.677 -15.369 1.00 26.28 C ANISOU 1514 C ALA D 20 3418 3333 3233 407 -190 77 C ATOM 1515 O ALA D 20 -10.397 15.642 -15.049 1.00 26.96 O ANISOU 1515 O ALA D 20 3477 3491 3277 402 -134 1 O ATOM 1516 CB ALA D 20 -12.553 13.944 -16.923 1.00 25.31 C ANISOU 1516 CB ALA D 20 3487 3187 2942 550 -455 197 C ATOM 0 H ALA D 20 -14.382 14.391 -15.389 1.00 22.92 H new ATOM 0 HA ALA D 20 -11.917 13.707 -14.981 1.00 24.77 H new ATOM 0 HB1 ALA D 20 -11.675 13.842 -17.323 1.00 25.31 H new ATOM 0 HB2 ALA D 20 -13.023 13.096 -16.955 1.00 25.31 H new ATOM 0 HB3 ALA D 20 -13.057 14.611 -17.416 1.00 25.31 H new ATOM 1517 N GLU D 21 -12.235 16.826 -15.576 1.00 25.43 N ANISOU 1517 N GLU D 21 3264 3152 3246 375 -94 133 N ATOM 1518 CA GLU D 21 -11.531 18.097 -15.465 1.00 30.31 C ANISOU 1518 CA GLU D 21 3798 3771 3949 336 83 106 C ATOM 1519 C GLU D 21 -11.172 18.408 -14.015 1.00 37.66 C ANISOU 1519 C GLU D 21 4630 4735 4946 236 159 6 C ATOM 1520 O GLU D 21 -10.080 18.927 -13.741 1.00 35.06 O ANISOU 1520 O GLU D 21 4244 4453 4623 216 272 -57 O ATOM 1521 CB GLU D 21 -12.373 19.218 -16.072 1.00 31.26 C ANISOU 1521 CB GLU D 21 3896 3799 4181 328 160 194 C ATOM 1522 CG GLU D 21 -11.676 20.572 -16.057 1.00 46.45 C ANISOU 1522 CG GLU D 21 5736 5719 6193 292 345 174 C ATOM 1523 CD GLU D 21 -12.370 21.603 -16.925 1.00 53.19 C ANISOU 1523 CD GLU D 21 6586 6488 7135 306 413 270 C ATOM 1524 OE1 GLU D 21 -11.863 22.742 -17.012 1.00 55.18 O ANISOU 1524 OE1 GLU D 21 6774 6730 7460 281 562 263 O ATOM 1525 OE2 GLU D 21 -13.417 21.275 -17.524 1.00 57.04 O1- ANISOU 1525 OE2 GLU D 21 7136 6919 7619 342 317 353 O1- ATOM 0 H GLU D 21 -13.068 16.889 -15.779 1.00 25.43 H new ATOM 0 HA GLU D 21 -10.700 18.029 -15.961 1.00 30.31 H new ATOM 0 HB2 GLU D 21 -12.596 18.987 -16.987 1.00 31.26 H new ATOM 0 HB3 GLU D 21 -13.209 19.286 -15.584 1.00 31.26 H new ATOM 0 HG2 GLU D 21 -11.635 20.899 -15.145 1.00 46.45 H new ATOM 0 HG3 GLU D 21 -10.761 20.463 -16.361 1.00 46.45 H new ATOM 1526 N TYR D 22 -12.065 18.092 -13.068 1.00 30.42 N ANISOU 1526 N TYR D 22 3688 3795 4075 174 99 -11 N ATOM 1527 CA TYR D 22 -11.718 18.278 -11.660 1.00 27.98 C ANISOU 1527 CA TYR D 22 3290 3522 3820 80 160 -109 C ATOM 1528 C TYR D 22 -10.542 17.407 -11.261 1.00 32.11 C ANISOU 1528 C TYR D 22 3829 4143 4230 97 121 -197 C ATOM 1529 O TYR D 22 -9.638 17.858 -10.543 1.00 28.36 O ANISOU 1529 O TYR D 22 3280 3713 3781 46 224 -278 O ATOM 1530 CB TYR D 22 -12.907 17.957 -10.760 1.00 27.32 C ANISOU 1530 CB TYR D 22 3188 3399 3794 16 85 -109 C ATOM 1531 CG TYR D 22 -13.937 19.039 -10.669 1.00 29.17 C ANISOU 1531 CG TYR D 22 3367 3544 4172 -37 163 -55 C ATOM 1532 CD1 TYR D 22 -15.232 18.815 -11.093 1.00 24.36 C ANISOU 1532 CD1 TYR D 22 2805 2865 3587 -19 72 29 C ATOM 1533 CD2 TYR D 22 -13.619 20.290 -10.139 1.00 36.17 C ANISOU 1533 CD2 TYR D 22 4152 4418 5175 -108 328 -89 C ATOM 1534 CE1 TYR D 22 -16.192 19.802 -11.008 1.00 33.70 C ANISOU 1534 CE1 TYR D 22 3936 3965 4904 -68 142 79 C ATOM 1535 CE2 TYR D 22 -14.574 21.282 -10.043 1.00 42.32 C ANISOU 1535 CE2 TYR D 22 4877 5114 6087 -159 400 -40 C ATOM 1536 CZ TYR D 22 -15.858 21.034 -10.488 1.00 41.08 C ANISOU 1536 CZ TYR D 22 4770 4887 5951 -138 306 45 C ATOM 1537 OH TYR D 22 -16.829 22.010 -10.401 1.00 45.48 O ANISOU 1537 OH TYR D 22 5276 5362 6644 -187 374 95 O ATOM 0 H TYR D 22 -12.852 17.779 -13.216 1.00 30.42 H new ATOM 0 HA TYR D 22 -11.471 19.209 -11.548 1.00 27.98 H new ATOM 0 HB2 TYR D 22 -13.333 17.149 -11.085 1.00 27.32 H new ATOM 0 HB3 TYR D 22 -12.578 17.765 -9.868 1.00 27.32 H new ATOM 0 HD1 TYR D 22 -15.461 17.984 -11.442 1.00 24.36 H new ATOM 0 HD2 TYR D 22 -12.752 20.458 -9.847 1.00 36.17 H new ATOM 0 HE1 TYR D 22 -17.059 19.637 -11.300 1.00 33.70 H new ATOM 0 HE2 TYR D 22 -14.355 22.110 -9.682 1.00 42.32 H new ATOM 0 HH TYR D 22 -16.497 22.706 -10.068 1.00 45.48 H new ATOM 1538 N TRP D 23 -10.545 16.149 -11.698 1.00 30.37 N ANISOU 1538 N TRP D 23 3701 3953 3883 166 -29 -185 N ATOM 1539 CA TRP D 23 -9.546 15.208 -11.268 1.00 34.69 C ANISOU 1539 CA TRP D 23 4269 4590 4323 180 -84 -267 C ATOM 1540 C TRP D 23 -8.161 15.571 -11.848 1.00 37.85 C ANISOU 1540 C TRP D 23 4664 5043 4674 224 11 -295 C ATOM 1541 O TRP D 23 -7.138 15.302 -11.219 1.00 30.53 O ANISOU 1541 O TRP D 23 3707 4189 3703 204 36 -384 O ATOM 1542 CB TRP D 23 -9.997 13.802 -11.668 1.00 29.39 C ANISOU 1542 CB TRP D 23 3702 3931 3534 246 -270 -237 C ATOM 1543 CG TRP D 23 -9.219 12.712 -11.046 1.00 30.59 C ANISOU 1543 CG TRP D 23 3874 4169 3582 250 -349 -322 C ATOM 1544 CD1 TRP D 23 -8.232 11.990 -11.617 1.00 27.39 C ANISOU 1544 CD1 TRP D 23 3527 3828 3051 323 -395 -343 C ATOM 1545 CD2 TRP D 23 -9.371 12.213 -9.711 1.00 30.37 C ANISOU 1545 CD2 TRP D 23 3805 4169 3566 176 -392 -398 C ATOM 1546 NE1 TRP D 23 -7.749 11.061 -10.723 1.00 26.80 N ANISOU 1546 NE1 TRP D 23 3451 3822 2910 300 -466 -428 N ATOM 1547 CE2 TRP D 23 -8.441 11.172 -9.549 1.00 25.76 C ANISOU 1547 CE2 TRP D 23 3260 3669 2859 210 -466 -462 C ATOM 1548 CE3 TRP D 23 -10.215 12.539 -8.647 1.00 28.26 C ANISOU 1548 CE3 TRP D 23 3473 3864 3401 84 -375 -417 C ATOM 1549 CZ2 TRP D 23 -8.308 10.461 -8.355 1.00 27.47 C ANISOU 1549 CZ2 TRP D 23 3452 3933 3052 155 -523 -545 C ATOM 1550 CZ3 TRP D 23 -10.098 11.827 -7.466 1.00 34.11 C ANISOU 1550 CZ3 TRP D 23 4191 4652 4118 29 -433 -499 C ATOM 1551 CH2 TRP D 23 -9.143 10.798 -7.326 1.00 30.10 C ANISOU 1551 CH2 TRP D 23 3723 4228 3486 65 -506 -562 C ATOM 0 H TRP D 23 -11.125 15.830 -12.247 1.00 30.37 H new ATOM 0 HA TRP D 23 -9.450 15.239 -10.303 1.00 34.69 H new ATOM 0 HB2 TRP D 23 -10.931 13.694 -11.431 1.00 29.39 H new ATOM 0 HB3 TRP D 23 -9.938 13.717 -12.632 1.00 29.39 H new ATOM 0 HD1 TRP D 23 -7.923 12.103 -12.487 1.00 27.39 H new ATOM 0 HE1 TRP D 23 -7.115 10.501 -10.878 1.00 26.80 H new ATOM 0 HE3 TRP D 23 -10.843 13.220 -8.730 1.00 28.26 H new ATOM 0 HZ2 TRP D 23 -7.676 9.785 -8.263 1.00 27.47 H new ATOM 0 HZ3 TRP D 23 -10.659 12.030 -6.752 1.00 34.11 H new ATOM 0 HH2 TRP D 23 -9.080 10.340 -6.519 1.00 30.10 H new HETATM 1552 N1 G2B D 24 -8.109 15.807 -13.170 1.00 28.00 N HETATM 1553 C2 G2B D 24 -6.949 17.182 -14.703 1.00 30.15 C HETATM 1554 N2 G2B D 24 -7.272 18.212 -13.708 1.00 34.24 N HETATM 1555 CA G2B D 24 -6.872 15.863 -13.949 1.00 31.11 C HETATM 1556 C G2B D 24 -6.381 18.659 -12.753 1.00 41.50 C HETATM 1557 O G2B D 24 -5.213 18.330 -12.675 1.00 42.86 O HETATM 1558 CB G2B D 24 -6.715 14.712 -14.947 1.00 35.35 C HETATM 1559 N1 G2B D 25 -6.884 19.558 -11.896 1.00 41.88 N HETATM 1560 C2 G2B D 25 -6.723 19.802 -9.491 1.00 53.79 C HETATM 1561 N2 G2B D 25 -6.851 18.345 -9.467 1.00 48.32 N HETATM 1562 CA G2B D 25 -6.075 20.153 -10.827 1.00 46.49 C HETATM 1563 C G2B D 25 -6.045 17.602 -8.643 1.00 52.08 C HETATM 1564 O G2B D 25 -5.265 18.097 -7.842 1.00 50.40 O HETATM 1565 CB G2B D 25 -5.979 21.672 -10.954 1.00 52.52 C TER 1566 G2B D 25 HETATM 1567 CG2 UCV C 101 -6.182 12.750 -28.393 1.00 47.80 C HETATM 1568 CB UCV C 101 -6.745 13.367 -27.116 1.00 48.62 C HETATM 1569 CG1 UCV C 101 -7.962 14.219 -27.484 1.00 53.64 C HETATM 1570 CA UCV C 101 -5.676 14.237 -26.475 1.00 48.55 C HETATM 1571 N1 UCV C 101 -4.732 13.430 -25.698 1.00 48.68 N HETATM 1572 C2 UCV C 101 -6.337 15.278 -25.557 1.00 50.87 C HETATM 1573 N2 UCV C 101 -5.352 15.775 -24.584 1.00 54.91 N HETATM 1574 C UCV C 101 -4.437 16.706 -24.891 1.00 63.54 C HETATM 1575 O UCV C 101 -4.377 17.206 -26.016 1.00 65.92 O HETATM 1576 N3 UCV C 101 -3.580 17.056 -23.932 1.00 64.81 N HETATM 1577 CG2 UCV D 101 -7.740 14.922 -7.021 1.00 56.48 C HETATM 1578 CB UCV D 101 -6.388 14.284 -7.307 1.00 54.06 C HETATM 1579 CG1 UCV D 101 -5.760 13.879 -5.978 1.00 49.24 C HETATM 1580 CA UCV D 101 -5.487 15.325 -7.956 1.00 54.41 C HETATM 1581 N1 UCV D 101 -6.241 16.281 -8.769 1.00 50.75 N HETATM 1582 C2 UCV D 101 -4.440 14.649 -8.846 1.00 60.96 C HETATM 1583 N2 UCV D 101 -3.791 15.697 -9.652 1.00 65.17 N HETATM 1584 C UCV D 101 -2.861 16.513 -9.128 1.00 66.97 C HETATM 1585 O UCV D 101 -2.490 16.414 -7.956 1.00 66.47 O HETATM 1586 N3 UCV D 101 -2.356 17.439 -9.932 1.00 68.29 N HETATM 1587 O HOH A 201 15.553 0.907 -4.186 1.00 38.82 O HETATM 1588 O HOH A 202 6.142 9.844 -2.318 1.00 40.63 O HETATM 1589 O HOH A 203 -3.324 -9.995 -8.423 1.00 62.26 O HETATM 1590 O HOH A 204 4.558 9.813 -9.664 1.00 40.73 O HETATM 1591 O HOH A 205 -20.918 0.507 -5.478 1.00 41.23 O HETATM 1592 O HOH A 206 4.878 2.882 -14.544 1.00 60.75 O HETATM 1593 O HOH A 207 -19.603 1.949 -16.972 1.00 33.97 O HETATM 1594 O HOH A 208 -18.395 -3.338 -9.495 1.00 59.83 O HETATM 1595 O HOH A 209 -23.420 9.891 -15.376 1.00 42.16 O HETATM 1596 O HOH A 210 -10.898 17.122 3.950 1.00 35.82 O HETATM 1597 O HOH A 211 -5.107 -1.485 -0.149 1.00 38.34 O HETATM 1598 O HOH A 212 16.914 4.079 -4.215 1.00 48.33 O HETATM 1599 O HOH A 213 -1.416 -1.738 -16.069 1.00 46.56 O HETATM 1600 O HOH A 214 -8.067 18.888 -5.640 1.00 51.66 O HETATM 1601 O HOH A 215 -7.531 3.872 4.044 1.00 46.44 O HETATM 1602 O HOH A 216 -22.602 7.701 -21.043 1.00 43.95 O HETATM 1603 O HOH A 217 -22.289 7.100 -6.583 1.00 44.80 O HETATM 1604 O HOH A 218 -17.699 -2.216 -5.067 1.00 51.16 O HETATM 1605 O HOH A 219 13.677 7.682 -2.173 1.00 37.89 O HETATM 1606 O HOH A 220 1.088 -4.779 -5.777 1.00 37.90 O HETATM 1607 O HOH A 221 -23.612 3.528 -18.947 1.00 50.72 O HETATM 1608 O HOH A 222 -3.470 -1.986 -18.425 1.00 52.85 O HETATM 1609 O HOH A 223 1.152 -7.030 -6.204 1.00 50.52 O HETATM 1610 O HOH A 224 5.622 2.716 2.132 1.00 52.23 O HETATM 1611 O HOH A 225 -14.492 12.402 3.364 1.00 41.17 O HETATM 1612 O HOH A 226 4.630 -3.829 -12.669 1.00 42.95 O HETATM 1613 O HOH A 227 -15.910 -2.688 -7.742 1.00 61.28 O HETATM 1614 O HOH A 228 -0.344 -6.519 -4.086 1.00 57.71 O HETATM 1615 O HOH A 229 6.047 1.405 -13.753 1.00 55.55 O HETATM 1616 O HOH A 230 6.255 -2.119 -14.148 1.00 55.09 O HETATM 1617 O HOH A 231 -2.062 -9.104 -4.114 1.00 58.65 O HETATM 1618 O HOH B 201 -14.002 12.144 -39.117 1.00 56.89 O HETATM 1619 O HOH B 202 -25.205 18.066 -15.229 1.00 48.36 O HETATM 1620 O HOH B 203 -16.486 -1.187 -27.790 1.00 45.86 O HETATM 1621 O HOH B 204 -24.076 22.366 -29.281 1.00 39.80 O HETATM 1622 O HOH B 205 -10.854 26.750 -26.299 1.00 53.25 O HETATM 1623 O HOH B 206 -11.293 -2.104 -35.458 1.00 53.47 O HETATM 1624 O HOH B 207 -29.552 18.930 -25.937 1.00 54.41 O HETATM 1625 O HOH B 208 -23.818 4.019 -28.406 1.00 46.65 O HETATM 1626 O HOH B 209 -12.095 -1.883 -20.714 1.00 40.90 O HETATM 1627 O HOH B 210 -10.901 -4.801 -23.639 1.00 54.16 O HETATM 1628 O HOH B 211 -9.987 3.126 -37.801 1.00 53.57 O HETATM 1629 O HOH B 212 -21.779 15.395 -33.923 1.00 32.64 O HETATM 1630 O HOH B 213 -28.339 16.784 -29.203 1.00 43.76 O HETATM 1631 O HOH B 214 -27.901 12.366 -23.864 1.00 42.87 O HETATM 1632 O HOH B 215 -5.609 14.243 -39.866 1.00 50.73 O HETATM 1633 O HOH B 216 -11.257 18.463 -39.140 1.00 47.65 O HETATM 1634 O HOH B 217 -11.055 12.925 -19.679 1.00 49.02 O HETATM 1635 O HOH B 218 -21.709 21.443 -18.516 1.00 41.95 O HETATM 1636 O HOH B 219 -14.528 23.122 -37.112 1.00 55.89 O HETATM 1637 O HOH B 220 -24.266 15.266 -35.537 1.00 33.71 O HETATM 1638 O HOH B 221 -21.042 33.557 -33.474 1.00 47.47 O HETATM 1639 O HOH B 222 -9.575 25.603 -24.073 1.00 42.66 O HETATM 1640 O HOH B 223 -20.576 -0.048 -24.746 1.00 53.36 O HETATM 1641 O HOH B 224 -28.464 16.640 -26.592 1.00 47.60 O HETATM 1642 O HOH C 201 -2.906 17.780 -27.696 1.00 53.58 O HETATM 1643 O HOH C 202 -2.442 5.623 -15.385 1.00 36.30 O HETATM 1644 O HOH C 203 -2.309 0.409 -21.178 1.00 38.40 O HETATM 1645 O HOH C 204 -2.297 16.125 -28.662 1.00 50.10 O HETATM 1646 O HOH C 205 2.461 5.882 -16.952 1.00 47.76 O HETATM 1647 O HOH C 206 0.121 10.283 -21.788 1.00 47.75 O HETATM 1648 O HOH D 201 -14.856 19.488 -18.471 1.00 42.81 O HETATM 1649 O HOH D 202 -19.842 19.678 -12.311 1.00 31.70 O HETATM 1650 O HOH D 203 -9.667 21.577 -12.300 1.00 52.62 O HETATM 1651 O HOH D 204 -22.098 23.128 -16.762 1.00 41.23 O CONECT 1461 1473 CONECT 1473 1461 1476 CONECT 1474 1475 1476 CONECT 1475 1474 1477 CONECT 1476 1473 1474 1479 CONECT 1477 1475 1478 1480 CONECT 1478 1477 CONECT 1479 1476 CONECT 1480 1477 1483 CONECT 1481 1482 1483 CONECT 1482 1481 1484 CONECT 1483 1480 1481 1486 CONECT 1484 1482 1485 1571 CONECT 1485 1484 CONECT 1486 1483 CONECT 1540 1552 CONECT 1552 1540 1555 CONECT 1553 1554 1555 CONECT 1554 1553 1556 CONECT 1555 1552 1553 1558 CONECT 1556 1554 1557 1559 CONECT 1557 1556 CONECT 1558 1555 CONECT 1559 1556 1562 CONECT 1560 1561 1562 CONECT 1561 1560 1563 CONECT 1562 1559 1560 1565 CONECT 1563 1561 1564 1581 CONECT 1564 1563 CONECT 1565 1562 CONECT 1567 1568 CONECT 1568 1567 1569 1570 CONECT 1569 1568 CONECT 1570 1568 1571 1572 CONECT 1571 1484 1570 CONECT 1572 1570 1573 CONECT 1573 1572 1574 CONECT 1574 1573 1575 1576 CONECT 1575 1574 CONECT 1576 1574 CONECT 1577 1578 CONECT 1578 1577 1579 1580 CONECT 1579 1578 CONECT 1580 1578 1581 1582 CONECT 1581 1563 1580 CONECT 1582 1580 1583 CONECT 1583 1582 1584 CONECT 1584 1583 1585 1586 CONECT 1585 1584 CONECT 1586 1584 END