USER MOD reduce.3.24.130724 H: found=0, std=0, add=1444, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER METAL BINDING PROTEIN 28-MAR-11 3RAV TITLE HORSE SPLEEN APO-FERRITIN WITH BOUND PENTOBARBITAL COMPND MOL_ID: 1; COMPND 2 MOLECULE: FERRITIN LIGHT CHAIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: FERRITIN L SUBUNIT SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; SOURCE 3 ORGANISM_COMMON: DOMESTIC HORSE; SOURCE 4 ORGANISM_TAXID: 9796; SOURCE 5 ORGAN: SPLEEN KEYWDS 4-HELIX BUNDLE, IRON, IRON STORAGE, METAL-BINDING, METAL BINDING KEYWDS 2 PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR S.H.OAKLEY,L.S.VEDULA,J.XI,R.LIU,R.G.ECKENHOFF,P.J.LOLL REVDAT 1 11-MAY-11 3RAV 0 JRNL AUTH S.H.OAKLEY,L.S.VEDULA,J.XI,R.LIU,R.G.ECKENHOFF,P.J.LOLL JRNL TITL HIGH RESOLUTION VIEW OF BARBITURATE RECOGNITION BY A PROTEIN JRNL TITL 2 BINDING SITE JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.90 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE- REMARK 3 : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO, REMARK 3 : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL REMARK 3 : MORIARTY,REETAL PAI,RANDY READ,JANE REMARK 3 : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM REMARK 3 : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH, REMARK 3 : LAURENT STORONI,TOM TERWILLIGER,PETER REMARK 3 : ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.90 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 45.62 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 0.840 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 3 NUMBER OF REFLECTIONS : 21072 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.176 REMARK 3 R VALUE (WORKING SET) : 0.174 REMARK 3 FREE R VALUE : 0.208 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.150 REMARK 3 FREE R VALUE TEST SET COUNT : 1994 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 45.6330 - 4.5780 1.00 2640 147 0.2090 0.2000 REMARK 3 2 4.5780 - 3.6340 1.00 2669 109 0.1610 0.1790 REMARK 3 3 3.6340 - 3.1750 1.00 2654 120 0.1590 0.2090 REMARK 3 4 3.1750 - 2.8850 1.00 2601 147 0.1610 0.2360 REMARK 3 5 2.8850 - 2.6780 1.00 2625 144 0.1590 0.2010 REMARK 3 6 2.6780 - 2.5200 1.00 2633 157 0.1620 0.1740 REMARK 3 7 2.5200 - 2.3940 1.00 2615 125 0.1660 0.2480 REMARK 3 8 2.3940 - 2.2900 1.00 2608 153 0.1700 0.2070 REMARK 3 9 2.2900 - 2.2010 1.00 2597 168 0.1660 0.2010 REMARK 3 10 2.2010 - 2.1250 1.00 2588 154 0.1620 0.2270 REMARK 3 11 2.1250 - 2.0590 1.00 2657 127 0.1760 0.1820 REMARK 3 12 2.0590 - 2.0000 1.00 2608 158 0.1860 0.2260 REMARK 3 13 2.0000 - 1.9470 1.00 2602 169 0.2060 0.2450 REMARK 3 14 1.9470 - 1.9000 0.99 2605 116 0.2330 0.2620 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.30 REMARK 3 SHRINKAGE RADIUS : 1.06 REMARK 3 K_SOL : 0.40 REMARK 3 B_SOL : 42.87 REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.200 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : NULL REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 21.63 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 22.47 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.00000 REMARK 3 B22 (A**2) : 0.00000 REMARK 3 B33 (A**2) : -0.00000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : -0.00000 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 : 0.007 1461 REMARK 3 ANGLE : 0.959 1981 REMARK 3 CHIRALITY : 0.065 218 REMARK 3 PLANARITY : 0.003 253 REMARK 3 DIHEDRAL : 15.726 555 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 3RAV COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 04-APR-11. REMARK 100 THE RCSB ID CODE IS RCSB064703. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : 110 REMARK 200 PH : 7 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : NSLS REMARK 200 BEAMLINE : X6A REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9774 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : NULL REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : CRYSTALCLEAR REMARK 200 DATA SCALING SOFTWARE : CRYSTALCLEAR REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 21095 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.900 REMARK 200 RESOLUTION RANGE LOW (A) : 45.620 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 7.800 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 200 DATA REDUNDANCY : 34.090 REMARK 200 R MERGE (I) : 0.10900 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 20.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.90 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.97 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 34.09 REMARK 200 R MERGE FOR SHELL (I) : 0.52700 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 7.800 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MR, MR 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 (%): 62.30 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.30 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2-1.6 M (NH4)2SO4 AND 0.1-0.275 M REMARK 280 CDSO4, 0.5 MM THIOPENTAL WERE MIXED WITH EQUAL VOLUMES OF REMARK 280 APOFERRITIN SOLUTION AND EQUILIBRATED OVER 0.7-1 ML, VAPOR REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 291K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: F 4 3 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -X,Y,-Z REMARK 290 4555 X,-Y,-Z REMARK 290 5555 Z,X,Y REMARK 290 6555 Z,-X,-Y REMARK 290 7555 -Z,-X,Y REMARK 290 8555 -Z,X,-Y REMARK 290 9555 Y,Z,X REMARK 290 10555 -Y,Z,-X REMARK 290 11555 Y,-Z,-X REMARK 290 12555 -Y,-Z,X REMARK 290 13555 Y,X,-Z REMARK 290 14555 -Y,-X,-Z REMARK 290 15555 Y,-X,Z REMARK 290 16555 -Y,X,Z REMARK 290 17555 X,Z,-Y REMARK 290 18555 -X,Z,Y REMARK 290 19555 -X,-Z,-Y REMARK 290 20555 X,-Z,Y REMARK 290 21555 Z,Y,-X REMARK 290 22555 Z,-Y,X REMARK 290 23555 -Z,Y,X REMARK 290 24555 -Z,-Y,-X REMARK 290 25555 X,Y+1/2,Z+1/2 REMARK 290 26555 -X,-Y+1/2,Z+1/2 REMARK 290 27555 -X,Y+1/2,-Z+1/2 REMARK 290 28555 X,-Y+1/2,-Z+1/2 REMARK 290 29555 Z,X+1/2,Y+1/2 REMARK 290 30555 Z,-X+1/2,-Y+1/2 REMARK 290 31555 -Z,-X+1/2,Y+1/2 REMARK 290 32555 -Z,X+1/2,-Y+1/2 REMARK 290 33555 Y,Z+1/2,X+1/2 REMARK 290 34555 -Y,Z+1/2,-X+1/2 REMARK 290 35555 Y,-Z+1/2,-X+1/2 REMARK 290 36555 -Y,-Z+1/2,X+1/2 REMARK 290 37555 Y,X+1/2,-Z+1/2 REMARK 290 38555 -Y,-X+1/2,-Z+1/2 REMARK 290 39555 Y,-X+1/2,Z+1/2 REMARK 290 40555 -Y,X+1/2,Z+1/2 REMARK 290 41555 X,Z+1/2,-Y+1/2 REMARK 290 42555 -X,Z+1/2,Y+1/2 REMARK 290 43555 -X,-Z+1/2,-Y+1/2 REMARK 290 44555 X,-Z+1/2,Y+1/2 REMARK 290 45555 Z,Y+1/2,-X+1/2 REMARK 290 46555 Z,-Y+1/2,X+1/2 REMARK 290 47555 -Z,Y+1/2,X+1/2 REMARK 290 48555 -Z,-Y+1/2,-X+1/2 REMARK 290 49555 X+1/2,Y,Z+1/2 REMARK 290 50555 -X+1/2,-Y,Z+1/2 REMARK 290 51555 -X+1/2,Y,-Z+1/2 REMARK 290 52555 X+1/2,-Y,-Z+1/2 REMARK 290 53555 Z+1/2,X,Y+1/2 REMARK 290 54555 Z+1/2,-X,-Y+1/2 REMARK 290 55555 -Z+1/2,-X,Y+1/2 REMARK 290 56555 -Z+1/2,X,-Y+1/2 REMARK 290 57555 Y+1/2,Z,X+1/2 REMARK 290 58555 -Y+1/2,Z,-X+1/2 REMARK 290 59555 Y+1/2,-Z,-X+1/2 REMARK 290 60555 -Y+1/2,-Z,X+1/2 REMARK 290 61555 Y+1/2,X,-Z+1/2 REMARK 290 62555 -Y+1/2,-X,-Z+1/2 REMARK 290 63555 Y+1/2,-X,Z+1/2 REMARK 290 64555 -Y+1/2,X,Z+1/2 REMARK 290 65555 X+1/2,Z,-Y+1/2 REMARK 290 66555 -X+1/2,Z,Y+1/2 REMARK 290 67555 -X+1/2,-Z,-Y+1/2 REMARK 290 68555 X+1/2,-Z,Y+1/2 REMARK 290 69555 Z+1/2,Y,-X+1/2 REMARK 290 70555 Z+1/2,-Y,X+1/2 REMARK 290 71555 -Z+1/2,Y,X+1/2 REMARK 290 72555 -Z+1/2,-Y,-X+1/2 REMARK 290 73555 X+1/2,Y+1/2,Z REMARK 290 74555 -X+1/2,-Y+1/2,Z REMARK 290 75555 -X+1/2,Y+1/2,-Z REMARK 290 76555 X+1/2,-Y+1/2,-Z REMARK 290 77555 Z+1/2,X+1/2,Y REMARK 290 78555 Z+1/2,-X+1/2,-Y REMARK 290 79555 -Z+1/2,-X+1/2,Y REMARK 290 80555 -Z+1/2,X+1/2,-Y REMARK 290 81555 Y+1/2,Z+1/2,X REMARK 290 82555 -Y+1/2,Z+1/2,-X REMARK 290 83555 Y+1/2,-Z+1/2,-X REMARK 290 84555 -Y+1/2,-Z+1/2,X REMARK 290 85555 Y+1/2,X+1/2,-Z REMARK 290 86555 -Y+1/2,-X+1/2,-Z REMARK 290 87555 Y+1/2,-X+1/2,Z REMARK 290 88555 -Y+1/2,X+1/2,Z REMARK 290 89555 X+1/2,Z+1/2,-Y REMARK 290 90555 -X+1/2,Z+1/2,Y REMARK 290 91555 -X+1/2,-Z+1/2,-Y REMARK 290 92555 X+1/2,-Z+1/2,Y REMARK 290 93555 Z+1/2,Y+1/2,-X REMARK 290 94555 Z+1/2,-Y+1/2,X REMARK 290 95555 -Z+1/2,Y+1/2,X REMARK 290 96555 -Z+1/2,-Y+1/2,-X 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 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 6 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 6 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 7 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 8 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 9 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 9 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 9 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 10 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 10 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 10 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 11 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 11 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 12 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 12 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 12 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 13 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 13 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 13 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 14 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 14 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 14 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 15 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 15 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 15 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 16 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 16 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 16 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 17 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 17 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 17 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 18 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 18 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 18 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 19 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 19 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 19 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 20 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 20 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 20 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 21 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 21 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 21 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 22 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 22 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 22 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 23 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 23 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 23 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 24 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 24 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 24 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 25 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 25 0.000000 1.000000 0.000000 91.24000 REMARK 290 SMTRY3 25 0.000000 0.000000 1.000000 91.24000 REMARK 290 SMTRY1 26 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 26 0.000000 -1.000000 0.000000 91.24000 REMARK 290 SMTRY3 26 0.000000 0.000000 1.000000 91.24000 REMARK 290 SMTRY1 27 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 27 0.000000 1.000000 0.000000 91.24000 REMARK 290 SMTRY3 27 0.000000 0.000000 -1.000000 91.24000 REMARK 290 SMTRY1 28 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 28 0.000000 -1.000000 0.000000 91.24000 REMARK 290 SMTRY3 28 0.000000 0.000000 -1.000000 91.24000 REMARK 290 SMTRY1 29 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 29 1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY3 29 0.000000 1.000000 0.000000 91.24000 REMARK 290 SMTRY1 30 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 30 -1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY3 30 0.000000 -1.000000 0.000000 91.24000 REMARK 290 SMTRY1 31 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 31 -1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY3 31 0.000000 1.000000 0.000000 91.24000 REMARK 290 SMTRY1 32 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 32 1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY3 32 0.000000 -1.000000 0.000000 91.24000 REMARK 290 SMTRY1 33 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 33 0.000000 0.000000 1.000000 91.24000 REMARK 290 SMTRY3 33 1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY1 34 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 34 0.000000 0.000000 1.000000 91.24000 REMARK 290 SMTRY3 34 -1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY1 35 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 35 0.000000 0.000000 -1.000000 91.24000 REMARK 290 SMTRY3 35 -1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY1 36 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 36 0.000000 0.000000 -1.000000 91.24000 REMARK 290 SMTRY3 36 1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY1 37 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 37 1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY3 37 0.000000 0.000000 -1.000000 91.24000 REMARK 290 SMTRY1 38 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 38 -1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY3 38 0.000000 0.000000 -1.000000 91.24000 REMARK 290 SMTRY1 39 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 39 -1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY3 39 0.000000 0.000000 1.000000 91.24000 REMARK 290 SMTRY1 40 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 40 1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY3 40 0.000000 0.000000 1.000000 91.24000 REMARK 290 SMTRY1 41 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 41 0.000000 0.000000 1.000000 91.24000 REMARK 290 SMTRY3 41 0.000000 -1.000000 0.000000 91.24000 REMARK 290 SMTRY1 42 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 42 0.000000 0.000000 1.000000 91.24000 REMARK 290 SMTRY3 42 0.000000 1.000000 0.000000 91.24000 REMARK 290 SMTRY1 43 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 43 0.000000 0.000000 -1.000000 91.24000 REMARK 290 SMTRY3 43 0.000000 -1.000000 0.000000 91.24000 REMARK 290 SMTRY1 44 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 44 0.000000 0.000000 -1.000000 91.24000 REMARK 290 SMTRY3 44 0.000000 1.000000 0.000000 91.24000 REMARK 290 SMTRY1 45 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 45 0.000000 1.000000 0.000000 91.24000 REMARK 290 SMTRY3 45 -1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY1 46 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 46 0.000000 -1.000000 0.000000 91.24000 REMARK 290 SMTRY3 46 1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY1 47 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 47 0.000000 1.000000 0.000000 91.24000 REMARK 290 SMTRY3 47 1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY1 48 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 48 0.000000 -1.000000 0.000000 91.24000 REMARK 290 SMTRY3 48 -1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY1 49 1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY2 49 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 49 0.000000 0.000000 1.000000 91.24000 REMARK 290 SMTRY1 50 -1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY2 50 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 50 0.000000 0.000000 1.000000 91.24000 REMARK 290 SMTRY1 51 -1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY2 51 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 51 0.000000 0.000000 -1.000000 91.24000 REMARK 290 SMTRY1 52 1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY2 52 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 52 0.000000 0.000000 -1.000000 91.24000 REMARK 290 SMTRY1 53 0.000000 0.000000 1.000000 91.24000 REMARK 290 SMTRY2 53 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 53 0.000000 1.000000 0.000000 91.24000 REMARK 290 SMTRY1 54 0.000000 0.000000 1.000000 91.24000 REMARK 290 SMTRY2 54 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 54 0.000000 -1.000000 0.000000 91.24000 REMARK 290 SMTRY1 55 0.000000 0.000000 -1.000000 91.24000 REMARK 290 SMTRY2 55 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 55 0.000000 1.000000 0.000000 91.24000 REMARK 290 SMTRY1 56 0.000000 0.000000 -1.000000 91.24000 REMARK 290 SMTRY2 56 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 56 0.000000 -1.000000 0.000000 91.24000 REMARK 290 SMTRY1 57 0.000000 1.000000 0.000000 91.24000 REMARK 290 SMTRY2 57 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 57 1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY1 58 0.000000 -1.000000 0.000000 91.24000 REMARK 290 SMTRY2 58 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 58 -1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY1 59 0.000000 1.000000 0.000000 91.24000 REMARK 290 SMTRY2 59 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 59 -1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY1 60 0.000000 -1.000000 0.000000 91.24000 REMARK 290 SMTRY2 60 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 60 1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY1 61 0.000000 1.000000 0.000000 91.24000 REMARK 290 SMTRY2 61 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 61 0.000000 0.000000 -1.000000 91.24000 REMARK 290 SMTRY1 62 0.000000 -1.000000 0.000000 91.24000 REMARK 290 SMTRY2 62 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 62 0.000000 0.000000 -1.000000 91.24000 REMARK 290 SMTRY1 63 0.000000 1.000000 0.000000 91.24000 REMARK 290 SMTRY2 63 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 63 0.000000 0.000000 1.000000 91.24000 REMARK 290 SMTRY1 64 0.000000 -1.000000 0.000000 91.24000 REMARK 290 SMTRY2 64 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 64 0.000000 0.000000 1.000000 91.24000 REMARK 290 SMTRY1 65 1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY2 65 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 65 0.000000 -1.000000 0.000000 91.24000 REMARK 290 SMTRY1 66 -1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY2 66 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 66 0.000000 1.000000 0.000000 91.24000 REMARK 290 SMTRY1 67 -1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY2 67 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 67 0.000000 -1.000000 0.000000 91.24000 REMARK 290 SMTRY1 68 1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY2 68 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 68 0.000000 1.000000 0.000000 91.24000 REMARK 290 SMTRY1 69 0.000000 0.000000 1.000000 91.24000 REMARK 290 SMTRY2 69 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 69 -1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY1 70 0.000000 0.000000 1.000000 91.24000 REMARK 290 SMTRY2 70 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 70 1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY1 71 0.000000 0.000000 -1.000000 91.24000 REMARK 290 SMTRY2 71 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 71 1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY1 72 0.000000 0.000000 -1.000000 91.24000 REMARK 290 SMTRY2 72 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 72 -1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY1 73 1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY2 73 0.000000 1.000000 0.000000 91.24000 REMARK 290 SMTRY3 73 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 74 -1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY2 74 0.000000 -1.000000 0.000000 91.24000 REMARK 290 SMTRY3 74 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 75 -1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY2 75 0.000000 1.000000 0.000000 91.24000 REMARK 290 SMTRY3 75 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 76 1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY2 76 0.000000 -1.000000 0.000000 91.24000 REMARK 290 SMTRY3 76 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 77 0.000000 0.000000 1.000000 91.24000 REMARK 290 SMTRY2 77 1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY3 77 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 78 0.000000 0.000000 1.000000 91.24000 REMARK 290 SMTRY2 78 -1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY3 78 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 79 0.000000 0.000000 -1.000000 91.24000 REMARK 290 SMTRY2 79 -1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY3 79 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 80 0.000000 0.000000 -1.000000 91.24000 REMARK 290 SMTRY2 80 1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY3 80 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 81 0.000000 1.000000 0.000000 91.24000 REMARK 290 SMTRY2 81 0.000000 0.000000 1.000000 91.24000 REMARK 290 SMTRY3 81 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 82 0.000000 -1.000000 0.000000 91.24000 REMARK 290 SMTRY2 82 0.000000 0.000000 1.000000 91.24000 REMARK 290 SMTRY3 82 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 83 0.000000 1.000000 0.000000 91.24000 REMARK 290 SMTRY2 83 0.000000 0.000000 -1.000000 91.24000 REMARK 290 SMTRY3 83 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 84 0.000000 -1.000000 0.000000 91.24000 REMARK 290 SMTRY2 84 0.000000 0.000000 -1.000000 91.24000 REMARK 290 SMTRY3 84 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 85 0.000000 1.000000 0.000000 91.24000 REMARK 290 SMTRY2 85 1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY3 85 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 86 0.000000 -1.000000 0.000000 91.24000 REMARK 290 SMTRY2 86 -1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY3 86 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 87 0.000000 1.000000 0.000000 91.24000 REMARK 290 SMTRY2 87 -1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY3 87 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 88 0.000000 -1.000000 0.000000 91.24000 REMARK 290 SMTRY2 88 1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY3 88 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 89 1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY2 89 0.000000 0.000000 1.000000 91.24000 REMARK 290 SMTRY3 89 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 90 -1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY2 90 0.000000 0.000000 1.000000 91.24000 REMARK 290 SMTRY3 90 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 91 -1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY2 91 0.000000 0.000000 -1.000000 91.24000 REMARK 290 SMTRY3 91 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 92 1.000000 0.000000 0.000000 91.24000 REMARK 290 SMTRY2 92 0.000000 0.000000 -1.000000 91.24000 REMARK 290 SMTRY3 92 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 93 0.000000 0.000000 1.000000 91.24000 REMARK 290 SMTRY2 93 0.000000 1.000000 0.000000 91.24000 REMARK 290 SMTRY3 93 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 94 0.000000 0.000000 1.000000 91.24000 REMARK 290 SMTRY2 94 0.000000 -1.000000 0.000000 91.24000 REMARK 290 SMTRY3 94 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 95 0.000000 0.000000 -1.000000 91.24000 REMARK 290 SMTRY2 95 0.000000 1.000000 0.000000 91.24000 REMARK 290 SMTRY3 95 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 96 0.000000 0.000000 -1.000000 91.24000 REMARK 290 SMTRY2 96 0.000000 -1.000000 0.000000 91.24000 REMARK 290 SMTRY3 96 -1.000000 0.000000 0.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2, 3, 4 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 3420 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 16070 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -46.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 1.000000 0.000000 0.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 3 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 5650 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 33340 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -111.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 3 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 3 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 4 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT2 4 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 4 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 4 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: 24-MERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 99260 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 134620 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -879.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 3 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT1 4 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT1 5 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT2 5 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 5 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT1 6 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT2 6 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 6 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT1 7 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT2 7 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 7 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT1 8 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT2 8 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 8 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT1 9 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 9 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT3 9 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT1 10 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT2 10 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT3 10 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT1 11 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 11 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT3 11 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT1 12 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT2 12 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT3 12 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT1 13 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 13 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 13 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT1 14 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT2 14 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 14 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT1 15 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 15 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 15 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 16 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT2 16 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 16 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 17 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 17 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT3 17 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT1 18 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 18 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT3 18 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT1 19 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 19 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT3 19 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT1 20 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 20 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT3 20 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT1 21 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT2 21 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 21 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT1 22 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT2 22 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT3 22 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT1 23 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT2 23 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 23 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT1 24 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT2 24 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT3 24 -1.000000 0.000000 0.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 C1 RAV A 183 LIES ON A SPECIAL POSITION. REMARK 375 C12 RAV A 183 LIES ON A SPECIAL POSITION. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 SER A 1 REMARK 465 GLY A 156 REMARK 465 SER A 157 REMARK 465 LYS A 172 REMARK 465 HIS A 173 REMARK 465 ASP A 174 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 GLU A 136 CG CD OE1 OE2 REMARK 470 GLN A 158 CG CD OE1 NE2 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 A 241 O HOH A 261 2.18 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 OD2 ASP A 80 CD CD A 175 72555 2.09 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 VAL A 42 -58.04 -120.52 REMARK 500 PHE A 133 -46.84 -132.84 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 176 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH A 285 O REMARK 620 2 HOH A 276 O 136.2 REMARK 620 3 GLU A 56 OE1 64.9 158.3 REMARK 620 4 GLU A 60 OE2 59.8 111.6 82.1 REMARK 620 5 GLU A 60 OE1 106.1 66.3 117.9 49.5 REMARK 620 6 GLU A 57 OE2 157.7 65.0 94.9 110.3 74.0 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 179 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH A 277 O REMARK 620 2 GLU A 130 OE1 97.9 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 177 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH A 283 O REMARK 620 2 GLU A 53 OE1 152.6 REMARK 620 3 GLU A 56 OE2 66.6 99.4 REMARK 620 N 1 2 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 182 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 11 OE2 REMARK 620 2 GLU A 11 OE1 48.7 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 175 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 176 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 177 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 178 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 179 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 180 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 181 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 182 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE RAV A 183 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3F32 RELATED DB: PDB REMARK 900 RELATED ID: 3F33 RELATED DB: PDB REMARK 900 RELATED ID: 3F34 RELATED DB: PDB REMARK 900 RELATED ID: 3F35 RELATED DB: PDB REMARK 900 RELATED ID: 3F36 RELATED DB: PDB REMARK 900 RELATED ID: 3F37 RELATED DB: PDB REMARK 900 RELATED ID: 3F38 RELATED DB: PDB REMARK 900 RELATED ID: 3F39 RELATED DB: PDB REMARK 900 RELATED ID: 3RD0 RELATED DB: PDB DBREF 3RAV A 1 174 UNP P02791 FRIL_HORSE 2 175 SEQRES 1 A 174 SER SER GLN ILE ARG GLN ASN TYR SER THR GLU VAL GLU SEQRES 2 A 174 ALA ALA VAL ASN ARG LEU VAL ASN LEU TYR LEU ARG ALA SEQRES 3 A 174 SER TYR THR TYR LEU SER LEU GLY PHE TYR PHE ASP ARG SEQRES 4 A 174 ASP ASP VAL ALA LEU GLU GLY VAL CYS HIS PHE PHE ARG SEQRES 5 A 174 GLU LEU ALA GLU GLU LYS ARG GLU GLY ALA GLU ARG LEU SEQRES 6 A 174 LEU LYS MET GLN ASN GLN ARG GLY GLY ARG ALA LEU PHE SEQRES 7 A 174 GLN ASP LEU GLN LYS PRO SER GLN ASP GLU TRP GLY THR SEQRES 8 A 174 THR LEU ASP ALA MET LYS ALA ALA ILE VAL LEU GLU LYS SEQRES 9 A 174 SER LEU ASN GLN ALA LEU LEU ASP LEU HIS ALA LEU GLY SEQRES 10 A 174 SER ALA GLN ALA ASP PRO HIS LEU CYS ASP PHE LEU GLU SEQRES 11 A 174 SER HIS PHE LEU ASP GLU GLU VAL LYS LEU ILE LYS LYS SEQRES 12 A 174 MET GLY ASP HIS LEU THR ASN ILE GLN ARG LEU VAL GLY SEQRES 13 A 174 SER GLN ALA GLY LEU GLY GLU TYR LEU PHE GLU ARG LEU SEQRES 14 A 174 THR LEU LYS HIS ASP HET CD A 175 1 HET CD A 176 1 HET CD A 177 1 HET CD A 178 1 HET CD A 179 1 HET SO4 A 180 5 HET SO4 A 181 5 HET CD A 182 1 HET RAV A 183 32 HETNAM CD CADMIUM ION HETNAM SO4 SULFATE ION HETNAM RAV 5-ETHYL-5-[(2S)-PENTAN-2-YL]PYRIMIDINE-2,4,6(1H,3H,5H)- HETNAM 2 RAV TRIONE HETSYN RAV PENTOBARBITAL FORMUL 2 CD 6(CD 2+) FORMUL 7 SO4 2(O4 S 2-) FORMUL 10 RAV C11 H18 N2 O3 FORMUL 11 HOH *196(H2 O) HELIX 1 1 SER A 9 ASP A 38 1 30 HELIX 2 2 LEU A 44 GLY A 73 1 30 HELIX 3 3 THR A 91 GLN A 120 1 30 HELIX 4 4 ASP A 122 PHE A 133 1 12 HELIX 5 5 PHE A 133 VAL A 155 1 23 HELIX 6 6 GLN A 158 THR A 170 1 13 LINK CD CD A 176 O HOH A 285 1555 1555 2.18 LINK CD CD A 176 O HOH A 276 1555 1555 2.24 LINK OD2 ASP A 80 CD CD A 175 1555 1555 2.26 LINK CD CD A 179 O HOH A 277 1555 1555 2.30 LINK CD CD A 177 O HOH A 283 1555 1555 2.42 LINK OE1 GLU A 130 CD CD A 179 1555 1555 2.50 LINK OE1 GLU A 56 CD CD A 176 1555 1555 2.54 LINK OE1 GLU A 53 CD CD A 177 1555 1555 2.57 LINK OE2 GLU A 60 CD CD A 176 1555 1555 2.63 LINK OE1 GLU A 60 CD CD A 176 1555 1555 2.65 LINK OE2 GLU A 11 CD CD A 182 1555 1555 2.66 LINK OE2 GLU A 56 CD CD A 177 1555 1555 2.67 LINK OE1 GLU A 11 CD CD A 182 1555 1555 2.68 LINK OE2 GLU A 57 CD CD A 176 1555 1555 2.68 SITE *** AC1 2 ASP A 80 GLN A 82 SITE *** AC2 5 GLU A 56 GLU A 57 GLU A 60 HOH A 276 SITE *** AC2 5 HOH A 285 SITE *** AC3 3 GLU A 53 GLU A 56 HOH A 283 SITE *** AC4 1 ASP A 127 SITE *** AC5 2 GLU A 130 HOH A 277 SITE *** AC6 6 GLN A 6 ASN A 7 HOH A 239 HOH A 244 SITE *** AC6 6 HOH A 297 HOH A 318 SITE *** AC7 8 LYS A 143 ASP A 146 HIS A 147 HOH A 265 SITE *** AC7 8 HOH A 266 HOH A 278 HOH A 324 HOH A 362 SITE *** AC8 1 GLU A 11 SITE *** AC9 6 LEU A 24 SER A 27 TYR A 28 ALA A 55 SITE *** AC9 6 ARG A 59 LEU A 81 CRYST1 182.480 182.480 182.480 90.00 90.00 90.00 F 4 3 2 96 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 0.005480 0.000000 0.000000 0.00000 SCALE2 0.000000 0.005480 0.000000 0.00000 SCALE3 0.000000 0.000000 0.005480 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 NoAdj-H: A 59 ARGHH11B: A 59 ARG NH1B: A 183 RAV C17B:(H bumps) USER MOD NoAdj-H: A 59 ARGHH12B: A 59 ARG NH1B: A 183 RAV C17B:(H bumps) USER MOD NoAdj-H: A 183 RAVH17AB: A 183 RAV C17B: A 59 ARG NH1B:(H bumps) USER MOD Set 1.1: A 131 SER OG : rot -71:sc= 0.192 USER MOD Set 1.2: A 132 HIS : no HE2:sc= 0.0358 X(o=0.23,f=0.19) USER MOD Set 2.1: A 30 TYR OH : rot 174:sc= 1.31 USER MOD Set 2.2: A 144 MET CE :methyl -167:sc= -0.0215 (180deg=-0.0702) USER MOD Set 3.1: A 8 TYR OH : rot 156:sc= 1.3 USER MOD Set 3.2: A 17 ASN : amide:sc= 0.154 K(o=2.7,f=-3.2!) USER MOD Set 3.3: A 69 GLN : amide:sc= 1.24 K(o=2.7,f=-3.4) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 7 ASN : amide:sc= 1.69 K(o=1.7,f=0.54) USER MOD Single : A 9 SER OG : rot -40:sc= 0.0777 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 1.37 X(o=1.4,f=1.1) USER MOD Single : A 23 TYR OH : rot 6:sc= 0.996 USER MOD Single : A 27 SER OG : rot 76:sc= -2.03! USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 67:sc= 1.78 USER MOD Single : A 32 SER OG : rot 154:sc= 1.74 USER MOD Single : A 36 TYR OH : rot 163:sc= 0.986 USER MOD Single : A 48 CYS SG : rot -80:sc= 1.39! USER MOD Single : A 49 HIS A: no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 HIS B: no HD1:sc= 0.627 K(o=0.63,f=-4.1!) USER MOD Single : A 58 LYS NZ :NH3+ -142:sc= 1.99 (180deg=0.651) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -111:sc= -0.113 (180deg=-1.22) USER MOD Single : A 70 ASN : amide:sc= 0.915 K(o=0.91,f=-0.57!) USER MOD Single : A 71 GLN : amide:sc= 0.513 K(o=0.51,f=-1.2!) USER MOD Single : A 79 GLN : amide:sc= 1.03 K(o=1,f=-0.11) USER MOD Single : A 82 GLN : amide:sc= 0.512 K(o=0.51,f=-0.57) USER MOD Single : A 83 LYS NZ :NH3+ -138:sc= 0.459 (180deg=0.225) USER MOD Single : A 85 SER OG : rot -111:sc= 0.98 USER MOD Single : A 86 GLN : amide:sc= 0.76 X(o=0.76,f=0.62) USER MOD Single : A 91 THR OG1 : rot -154:sc= 1.5 USER MOD Single : A 92 THR OG1 : rot 66:sc= 1.9 USER MOD Single : A 96 MET CE :methyl 161:sc= -0.0776 (180deg=-0.491) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -35:sc= 1.65 USER MOD Single : A 107 ASN : amide:sc= 1.03 X(o=1,f=0.61) USER MOD Single : A 108 GLN : amide:sc= 2.37 X(o=2.4,f=2.1) USER MOD Single : A 114 HIS : no HD1:sc= 2.38 K(o=2.4,f=-8!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.0117 K(o=-0.012,f=-0.96) USER MOD Single : A 124 HIS : no HE2:sc= 1.42 K(o=1.4,f=-3.4!) USER MOD Single : A 126 CYS SG : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 169:sc= 1.46 (180deg=1.35) USER MOD Single : A 143 LYS NZ :NH3+ -143:sc= -0.207 (180deg=-0.884) USER MOD Single : A 147 HIS : no HE2:sc= 2.14 K(o=2.1,f=-3.8!) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 ASN : amide:sc= 0.581 K(o=0.58,f=-1.6!) USER MOD Single : A 152 GLN : amide:sc= 0.998 K(o=1,f=-1.1) USER MOD Single : A 164 TYR OH : rot 180:sc= 0 USER MOD Single : A 170 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 53.000 18.678 22.565 1.00 36.91 N ATOM 2 CA SER A 2 51.939 18.269 21.642 1.00 35.21 C ATOM 3 C SER A 2 51.706 19.301 20.546 1.00 34.19 C ATOM 4 O SER A 2 51.631 20.504 20.817 1.00 37.73 O ATOM 5 CB SER A 2 50.626 18.015 22.387 1.00 32.09 C ATOM 6 OG SER A 2 49.570 17.771 21.471 1.00 32.61 O ATOM 0 HA SER A 2 52.237 17.444 21.228 1.00 35.21 H new ATOM 0 HB2 SER A 2 50.727 17.255 22.981 1.00 32.09 H new ATOM 0 HB3 SER A 2 50.409 18.781 22.941 1.00 32.09 H new ATOM 0 HG SER A 2 48.858 17.632 21.894 1.00 32.61 H new ATOM 7 N GLN A 3 51.580 18.825 19.311 1.00 29.25 N ATOM 8 CA GLN A 3 51.368 19.700 18.164 1.00 26.06 C ATOM 9 C GLN A 3 50.058 20.471 18.265 1.00 25.10 C ATOM 10 O GLN A 3 49.940 21.580 17.741 1.00 28.60 O ATOM 11 CB GLN A 3 51.383 18.885 16.867 1.00 31.99 C ATOM 12 CG GLN A 3 50.292 17.816 16.806 1.00 32.18 C ATOM 13 CD GLN A 3 50.464 16.865 15.639 1.00 30.19 C ATOM 14 OE1 GLN A 3 51.146 17.187 14.670 1.00 33.23 O ATOM 15 NE2 GLN A 3 49.854 15.681 15.731 1.00 18.71 N ATOM 0 H GLN A 3 51.615 17.988 19.115 1.00 29.25 H new ATOM 0 HA GLN A 3 52.093 20.344 18.158 1.00 26.06 H new ATOM 0 HB2 GLN A 3 51.278 19.487 16.114 1.00 31.99 H new ATOM 0 HB3 GLN A 3 52.249 18.459 16.771 1.00 31.99 H new ATOM 0 HG2 GLN A 3 50.295 17.310 17.633 1.00 32.18 H new ATOM 0 HG3 GLN A 3 49.426 18.248 16.741 1.00 32.18 H new ATOM 0 HE21 GLN A 3 49.385 15.492 16.426 1.00 18.71 H new ATOM 0 HE22 GLN A 3 49.931 15.107 15.095 1.00 18.71 H new ATOM 16 N ILE A 4 49.072 19.902 18.947 1.00 20.17 N ATOM 17 CA ILE A 4 47.756 20.537 18.993 1.00 24.88 C ATOM 18 C ILE A 4 47.505 21.344 20.275 1.00 22.48 C ATOM 19 O ILE A 4 46.635 22.203 20.318 1.00 18.92 O ATOM 20 CB ILE A 4 46.615 19.506 18.809 1.00 23.05 C ATOM 21 CG1 ILE A 4 46.528 18.555 20.009 1.00 20.97 C ATOM 22 CG2 ILE A 4 46.794 18.724 17.528 1.00 18.43 C ATOM 23 CD1 ILE A 4 45.275 17.719 19.983 1.00 17.50 C ATOM 0 H ILE A 4 49.138 19.163 19.383 1.00 20.17 H new ATOM 0 HA ILE A 4 47.756 21.161 18.250 1.00 24.88 H new ATOM 0 HB ILE A 4 45.781 19.999 18.753 1.00 23.05 H new ATOM 0 HG12 ILE A 4 47.304 17.972 20.015 1.00 20.97 H new ATOM 0 HG13 ILE A 4 46.554 19.070 20.830 1.00 20.97 H new ATOM 0 HG21 ILE A 4 46.069 18.086 17.434 1.00 18.43 H new ATOM 0 HG22 ILE A 4 46.788 19.333 16.773 1.00 18.43 H new ATOM 0 HG23 ILE A 4 47.640 18.250 17.553 1.00 18.43 H new ATOM 0 HD11 ILE A 4 45.260 17.134 20.757 1.00 17.50 H new ATOM 0 HD12 ILE A 4 44.498 18.299 20.002 1.00 17.50 H new ATOM 0 HD13 ILE A 4 45.259 17.185 19.174 1.00 17.50 H new ATOM 24 N ARG A 5 48.268 21.062 21.320 1.00 19.54 N ATOM 25 CA ARG A 5 47.988 21.646 22.618 1.00 21.15 C ATOM 26 C ARG A 5 48.053 23.167 22.571 1.00 20.72 C ATOM 27 O ARG A 5 49.022 23.738 22.086 1.00 20.66 O ATOM 28 CB ARG A 5 48.960 21.106 23.659 1.00 19.62 C ATOM 29 CG ARG A 5 48.594 21.480 25.077 1.00 21.45 C ATOM 30 CD ARG A 5 49.543 20.797 26.042 1.00 22.47 C ATOM 31 NE ARG A 5 49.122 20.974 27.423 1.00 23.80 N ATOM 32 CZ ARG A 5 49.306 20.060 28.362 1.00 23.09 C ATOM 33 NH1 ARG A 5 49.908 18.924 28.054 1.00 18.82 N ATOM 34 NH2 ARG A 5 48.890 20.280 29.598 1.00 20.63 N ATOM 0 H ARG A 5 48.949 20.537 21.298 1.00 19.54 H new ATOM 0 HA ARG A 5 47.085 21.396 22.868 1.00 21.15 H new ATOM 0 HB2 ARG A 5 48.997 20.139 23.586 1.00 19.62 H new ATOM 0 HB3 ARG A 5 49.850 21.439 23.464 1.00 19.62 H new ATOM 0 HG2 ARG A 5 48.640 22.442 25.190 1.00 21.45 H new ATOM 0 HG3 ARG A 5 47.680 21.216 25.266 1.00 21.45 H new ATOM 0 HD2 ARG A 5 49.589 19.850 25.836 1.00 22.47 H new ATOM 0 HD3 ARG A 5 50.437 21.156 25.927 1.00 22.47 H new ATOM 0 HE ARG A 5 48.734 21.710 27.640 1.00 23.80 H new ATOM 0 HH11 ARG A 5 50.176 18.784 27.249 1.00 18.82 H new ATOM 0 HH12 ARG A 5 50.031 18.325 28.659 1.00 18.82 H new ATOM 0 HH21 ARG A 5 48.498 21.020 29.794 1.00 20.63 H new ATOM 0 HH22 ARG A 5 49.012 19.683 30.205 1.00 20.63 H new ATOM 35 N GLN A 6 47.007 23.814 23.070 1.00 19.06 N ATOM 36 CA GLN A 6 46.929 25.277 23.061 1.00 20.65 C ATOM 37 C GLN A 6 46.046 25.752 24.195 1.00 21.46 C ATOM 38 O GLN A 6 44.883 25.347 24.295 1.00 18.01 O ATOM 39 CB GLN A 6 46.374 25.771 21.720 1.00 21.00 C ATOM 40 CG GLN A 6 46.402 27.282 21.524 1.00 19.74 C ATOM 41 CD GLN A 6 45.966 27.676 20.111 1.00 23.33 C ATOM 42 OE1 GLN A 6 45.283 26.912 19.430 1.00 19.57 O ATOM 43 NE2 GLN A 6 46.365 28.861 19.668 1.00 22.43 N ATOM 0 H GLN A 6 46.326 23.425 23.422 1.00 19.06 H new ATOM 0 HA GLN A 6 47.821 25.639 23.180 1.00 20.65 H new ATOM 0 HB2 GLN A 6 46.881 25.357 21.004 1.00 21.00 H new ATOM 0 HB3 GLN A 6 45.458 25.465 21.633 1.00 21.00 H new ATOM 0 HG2 GLN A 6 45.817 27.704 22.173 1.00 19.74 H new ATOM 0 HG3 GLN A 6 47.298 27.614 21.691 1.00 19.74 H new ATOM 0 HE21 GLN A 6 46.842 29.370 20.171 1.00 22.43 H new ATOM 0 HE22 GLN A 6 46.147 29.120 18.878 1.00 22.43 H new ATOM 44 N ASN A 7 46.607 26.596 25.061 1.00 21.38 N ATOM 45 CA ASN A 7 45.885 27.132 26.210 1.00 20.65 C ATOM 46 C ASN A 7 45.416 26.048 27.172 1.00 21.30 C ATOM 47 O ASN A 7 44.398 26.210 27.827 1.00 19.63 O ATOM 48 CB ASN A 7 44.679 27.974 25.760 1.00 20.45 C ATOM 49 CG ASN A 7 44.169 28.903 26.859 1.00 24.83 C ATOM 50 OD1 ASN A 7 44.959 29.513 27.584 1.00 24.84 O ATOM 51 ND2 ASN A 7 42.847 29.003 26.996 1.00 22.42 N ATOM 0 H ASN A 7 47.419 26.873 24.997 1.00 21.38 H new ATOM 0 HA ASN A 7 46.517 27.694 26.685 1.00 20.65 H new ATOM 0 HB2 ASN A 7 44.928 28.502 24.985 1.00 20.45 H new ATOM 0 HB3 ASN A 7 43.962 27.383 25.482 1.00 20.45 H new ATOM 0 HD21 ASN A 7 42.515 29.508 27.608 1.00 22.42 H new ATOM 0 HD22 ASN A 7 42.326 28.563 26.472 1.00 22.42 H new ATOM 52 N TYR A 8 46.154 24.945 27.256 1.00 21.02 N ATOM 53 CA TYR A 8 45.757 23.828 28.110 1.00 20.62 C ATOM 54 C TYR A 8 46.812 23.612 29.197 1.00 21.62 C ATOM 55 O TYR A 8 47.871 23.039 28.954 1.00 22.73 O ATOM 56 CB TYR A 8 45.549 22.563 27.266 1.00 21.11 C ATOM 57 CG TYR A 8 44.813 21.443 27.971 1.00 20.93 C ATOM 58 CD1 TYR A 8 43.525 21.633 28.454 1.00 17.14 C ATOM 59 CD2 TYR A 8 45.407 20.196 28.153 1.00 16.46 C ATOM 60 CE1 TYR A 8 42.846 20.612 29.095 1.00 16.78 C ATOM 61 CE2 TYR A 8 44.734 19.166 28.805 1.00 15.51 C ATOM 62 CZ TYR A 8 43.451 19.383 29.274 1.00 18.60 C ATOM 63 OH TYR A 8 42.760 18.374 29.921 1.00 18.04 O ATOM 0 H TYR A 8 46.889 24.823 26.826 1.00 21.02 H new ATOM 0 HA TYR A 8 44.914 24.033 28.543 1.00 20.62 H new ATOM 0 HB2 TYR A 8 45.058 22.801 26.464 1.00 21.11 H new ATOM 0 HB3 TYR A 8 46.416 22.234 26.980 1.00 21.11 H new ATOM 0 HD1 TYR A 8 43.112 22.459 28.345 1.00 17.14 H new ATOM 0 HD2 TYR A 8 46.268 20.049 27.833 1.00 16.46 H new ATOM 0 HE1 TYR A 8 41.981 20.753 29.406 1.00 16.78 H new ATOM 0 HE2 TYR A 8 45.144 18.340 28.924 1.00 15.51 H new ATOM 0 HH TYR A 8 43.071 17.629 29.690 1.00 18.04 H new ATOM 64 N SER A 9 46.525 24.092 30.399 1.00 21.55 N ATOM 65 CA SER A 9 47.534 24.111 31.454 1.00 22.55 C ATOM 66 C SER A 9 47.817 22.713 32.025 1.00 24.59 C ATOM 67 O SER A 9 46.988 21.800 31.940 1.00 20.20 O ATOM 68 CB SER A 9 47.128 25.084 32.558 1.00 20.92 C ATOM 69 OG SER A 9 46.030 24.588 33.299 1.00 23.00 O ATOM 0 H SER A 9 45.759 24.410 30.626 1.00 21.55 H new ATOM 0 HA SER A 9 48.363 24.417 31.055 1.00 22.55 H new ATOM 0 HB2 SER A 9 47.880 25.236 33.152 1.00 20.92 H new ATOM 0 HB3 SER A 9 46.897 25.942 32.168 1.00 20.92 H new ATOM 0 HG SER A 9 45.481 24.224 32.777 1.00 23.00 H new ATOM 70 N THR A 10 49.006 22.540 32.585 1.00 19.78 N ATOM 71 CA THR A 10 49.374 21.269 33.185 1.00 21.75 C ATOM 72 C THR A 10 48.495 21.012 34.403 1.00 20.03 C ATOM 73 O THR A 10 48.202 19.869 34.730 1.00 21.03 O ATOM 74 CB THR A 10 50.853 21.255 33.617 1.00 28.54 C ATOM 75 OG1 THR A 10 51.088 22.348 34.507 1.00 27.98 O ATOM 76 CG2 THR A 10 51.772 21.396 32.401 1.00 27.72 C ATOM 0 H THR A 10 49.614 23.147 32.628 1.00 19.78 H new ATOM 0 HA THR A 10 49.245 20.574 32.521 1.00 21.75 H new ATOM 0 HB THR A 10 51.043 20.412 34.057 1.00 28.54 H new ATOM 0 HG1 THR A 10 51.893 22.346 34.748 1.00 27.98 H new ATOM 0 HG21 THR A 10 52.697 21.385 32.692 1.00 27.72 H new ATOM 0 HG22 THR A 10 51.617 20.658 31.790 1.00 27.72 H new ATOM 0 HG23 THR A 10 51.585 22.234 31.949 1.00 27.72 H new ATOM 77 N GLU A 11 48.075 22.085 35.065 1.00 19.49 N ATOM 78 CA GLU A 11 47.211 21.974 36.229 1.00 20.21 C ATOM 79 C GLU A 11 45.853 21.375 35.850 1.00 21.49 C ATOM 80 O GLU A 11 45.338 20.487 36.528 1.00 18.02 O ATOM 81 CB GLU A 11 47.007 23.344 36.883 1.00 24.07 C ATOM 82 CG GLU A 11 48.222 23.892 37.647 1.00 24.98 C ATOM 83 CD GLU A 11 49.208 24.647 36.761 1.00 31.55 C ATOM 84 OE1 GLU A 11 48.947 24.798 35.542 1.00 22.40 O ATOM 85 OE2 GLU A 11 50.255 25.087 37.289 1.00 34.16 O ATOM 0 H GLU A 11 48.282 22.892 34.852 1.00 19.49 H new ATOM 0 HA GLU A 11 47.645 21.382 36.863 1.00 20.21 H new ATOM 0 HB2 GLU A 11 46.762 23.982 36.195 1.00 24.07 H new ATOM 0 HB3 GLU A 11 46.257 23.285 37.496 1.00 24.07 H new ATOM 0 HG2 GLU A 11 47.913 24.483 38.351 1.00 24.98 H new ATOM 0 HG3 GLU A 11 48.683 23.155 38.078 1.00 24.98 H new ATOM 86 N VAL A 12 45.265 21.888 34.779 1.00 16.37 N ATOM 87 CA VAL A 12 43.990 21.379 34.310 1.00 17.35 C ATOM 88 C VAL A 12 44.123 19.945 33.827 1.00 17.48 C ATOM 89 O VAL A 12 43.284 19.105 34.140 1.00 16.58 O ATOM 90 CB VAL A 12 43.441 22.217 33.164 1.00 16.80 C ATOM 91 CG1 VAL A 12 42.299 21.462 32.470 1.00 16.26 C ATOM 92 CG2 VAL A 12 42.955 23.562 33.684 1.00 19.63 C ATOM 0 H VAL A 12 45.589 22.532 34.310 1.00 16.37 H new ATOM 0 HA VAL A 12 43.380 21.422 35.063 1.00 17.35 H new ATOM 0 HB VAL A 12 44.147 22.376 32.518 1.00 16.80 H new ATOM 0 HG11 VAL A 12 41.952 21.999 31.741 1.00 16.26 H new ATOM 0 HG12 VAL A 12 42.632 20.620 32.121 1.00 16.26 H new ATOM 0 HG13 VAL A 12 41.590 21.289 33.109 1.00 16.26 H new ATOM 0 HG21 VAL A 12 42.607 24.088 32.947 1.00 19.63 H new ATOM 0 HG22 VAL A 12 42.254 23.422 34.339 1.00 19.63 H new ATOM 0 HG23 VAL A 12 43.694 24.035 34.098 1.00 19.63 H new ATOM 93 N GLU A 13 45.173 19.675 33.059 1.00 16.93 N ATOM 94 CA GLU A 13 45.431 18.322 32.575 1.00 18.13 C ATOM 95 C GLU A 13 45.465 17.330 33.739 1.00 19.76 C ATOM 96 O GLU A 13 44.829 16.284 33.679 1.00 15.74 O ATOM 97 CB GLU A 13 46.751 18.267 31.790 1.00 18.75 C ATOM 98 CG GLU A 13 47.151 16.866 31.316 1.00 16.57 C ATOM 99 CD GLU A 13 48.541 16.852 30.689 1.00 23.67 C ATOM 100 OE1 GLU A 13 49.289 17.824 30.909 1.00 24.65 O ATOM 101 OE2 GLU A 13 48.888 15.886 29.981 1.00 23.07 O ATOM 0 H GLU A 13 45.749 20.261 32.806 1.00 16.93 H new ATOM 0 HA GLU A 13 44.708 18.073 31.978 1.00 18.13 H new ATOM 0 HB2 GLU A 13 46.679 18.849 31.017 1.00 18.75 H new ATOM 0 HB3 GLU A 13 47.461 18.622 32.348 1.00 18.75 H new ATOM 0 HG2 GLU A 13 47.129 16.253 32.067 1.00 16.57 H new ATOM 0 HG3 GLU A 13 46.502 16.546 30.670 1.00 16.57 H new ATOM 102 N ALA A 14 46.212 17.663 34.793 1.00 17.84 N ATOM 103 CA ALA A 14 46.305 16.799 35.967 1.00 19.62 C ATOM 104 C ALA A 14 44.951 16.653 36.670 1.00 17.33 C ATOM 105 O ALA A 14 44.552 15.555 37.056 1.00 19.79 O ATOM 106 CB ALA A 14 47.355 17.330 36.938 1.00 22.12 C ATOM 0 H ALA A 14 46.673 18.387 34.846 1.00 17.84 H new ATOM 0 HA ALA A 14 46.575 15.918 35.663 1.00 19.62 H new ATOM 0 HB1 ALA A 14 47.405 16.747 37.711 1.00 22.12 H new ATOM 0 HB2 ALA A 14 48.219 17.357 36.498 1.00 22.12 H new ATOM 0 HB3 ALA A 14 47.110 18.224 37.223 1.00 22.12 H new ATOM 107 N ALA A 15 44.251 17.767 36.847 1.00 18.74 N ATOM 108 CA ALA A 15 42.927 17.740 37.466 1.00 17.11 C ATOM 109 C ALA A 15 41.927 16.899 36.672 1.00 15.44 C ATOM 110 O ALA A 15 41.051 16.266 37.250 1.00 15.94 O ATOM 111 CB ALA A 15 42.391 19.158 37.633 1.00 17.72 C ATOM 0 H ALA A 15 44.523 18.550 36.617 1.00 18.74 H new ATOM 0 HA ALA A 15 43.031 17.324 38.336 1.00 17.11 H new ATOM 0 HB1 ALA A 15 41.513 19.126 38.044 1.00 17.72 H new ATOM 0 HB2 ALA A 15 42.993 19.668 38.197 1.00 17.72 H new ATOM 0 HB3 ALA A 15 42.325 19.584 36.764 1.00 17.72 H new ATOM 112 N VAL A 16 42.024 16.934 35.345 1.00 14.96 N ATOM 113 CA VAL A 16 41.119 16.149 34.514 1.00 14.56 C ATOM 114 C VAL A 16 41.414 14.668 34.732 1.00 16.20 C ATOM 115 O VAL A 16 40.508 13.859 34.851 1.00 14.74 O ATOM 116 CB VAL A 16 41.212 16.549 33.033 1.00 16.77 C ATOM 117 CG1 VAL A 16 40.582 15.482 32.130 1.00 14.64 C ATOM 118 CG2 VAL A 16 40.515 17.919 32.821 1.00 14.56 C ATOM 0 H VAL A 16 42.601 17.401 34.911 1.00 14.96 H new ATOM 0 HA VAL A 16 40.203 16.329 34.777 1.00 14.56 H new ATOM 0 HB VAL A 16 42.148 16.624 32.791 1.00 16.77 H new ATOM 0 HG11 VAL A 16 40.654 15.759 31.203 1.00 14.64 H new ATOM 0 HG12 VAL A 16 41.046 14.639 32.252 1.00 14.64 H new ATOM 0 HG13 VAL A 16 39.647 15.372 32.362 1.00 14.64 H new ATOM 0 HG21 VAL A 16 40.574 18.171 31.886 1.00 14.56 H new ATOM 0 HG22 VAL A 16 39.582 17.851 33.079 1.00 14.56 H new ATOM 0 HG23 VAL A 16 40.952 18.592 33.365 1.00 14.56 H new ATOM 119 N ASN A 17 42.689 14.313 34.836 1.00 15.15 N ATOM 120 CA ASN A 17 43.019 12.931 35.168 1.00 15.08 C ATOM 121 C ASN A 17 42.469 12.479 36.528 1.00 14.44 C ATOM 122 O ASN A 17 42.029 11.334 36.677 1.00 15.41 O ATOM 123 CB ASN A 17 44.526 12.699 35.109 1.00 15.10 C ATOM 124 CG ASN A 17 45.028 12.523 33.697 1.00 16.77 C ATOM 125 OD1 ASN A 17 44.295 12.060 32.817 1.00 17.81 O ATOM 126 ND2 ASN A 17 46.274 12.909 33.463 1.00 14.90 N ATOM 0 H ASN A 17 43.361 14.838 34.722 1.00 15.15 H new ATOM 0 HA ASN A 17 42.581 12.387 34.495 1.00 15.08 H new ATOM 0 HB2 ASN A 17 44.982 13.450 35.520 1.00 15.10 H new ATOM 0 HB3 ASN A 17 44.750 11.912 35.629 1.00 15.10 H new ATOM 0 HD21 ASN A 17 46.603 12.842 32.671 1.00 14.90 H new ATOM 0 HD22 ASN A 17 46.753 13.227 34.103 1.00 14.90 H new ATOM 127 N ARG A 18 42.498 13.368 37.516 1.00 16.55 N ATOM 128 CA ARG A 18 41.943 13.040 38.824 1.00 16.97 C ATOM 129 C ARG A 18 40.424 12.886 38.758 1.00 17.21 C ATOM 130 O ARG A 18 39.853 11.994 39.380 1.00 16.25 O ATOM 131 CB ARG A 18 42.347 14.085 39.871 1.00 19.35 C ATOM 132 CG ARG A 18 43.834 14.025 40.205 1.00 26.68 C ATOM 133 CD ARG A 18 44.182 14.898 41.410 1.00 34.91 C ATOM 134 NE ARG A 18 44.057 16.313 41.080 1.00 33.75 N ATOM 135 CZ ARG A 18 45.057 17.049 40.612 1.00 27.98 C ATOM 136 NH1 ARG A 18 46.259 16.507 40.443 1.00 33.02 N ATOM 137 NH2 ARG A 18 44.857 18.323 40.334 1.00 27.56 N ATOM 0 H ARG A 18 42.831 14.158 37.451 1.00 16.55 H new ATOM 0 HA ARG A 18 42.314 12.186 39.097 1.00 16.97 H new ATOM 0 HB2 ARG A 18 42.127 14.971 39.542 1.00 19.35 H new ATOM 0 HB3 ARG A 18 41.830 13.946 40.680 1.00 19.35 H new ATOM 0 HG2 ARG A 18 44.088 13.107 40.387 1.00 26.68 H new ATOM 0 HG3 ARG A 18 44.350 14.315 39.436 1.00 26.68 H new ATOM 0 HD2 ARG A 18 43.595 14.682 42.151 1.00 34.91 H new ATOM 0 HD3 ARG A 18 45.088 14.708 41.701 1.00 34.91 H new ATOM 0 HE ARG A 18 43.293 16.691 41.195 1.00 33.75 H new ATOM 0 HH11 ARG A 18 46.389 15.679 40.637 1.00 33.02 H new ATOM 0 HH12 ARG A 18 46.907 16.984 40.140 1.00 33.02 H new ATOM 0 HH21 ARG A 18 44.081 18.673 40.456 1.00 27.56 H new ATOM 0 HH22 ARG A 18 45.503 18.803 40.031 1.00 27.56 H new ATOM 138 N LEU A 19 39.776 13.743 37.982 1.00 16.34 N ATOM 139 CA LEU A 19 38.336 13.630 37.791 1.00 14.70 C ATOM 140 C LEU A 19 37.954 12.328 37.074 1.00 13.83 C ATOM 141 O LEU A 19 36.928 11.724 37.379 1.00 15.81 O ATOM 142 CB LEU A 19 37.812 14.836 37.017 1.00 15.49 C ATOM 143 CG LEU A 19 36.299 15.070 37.049 1.00 17.68 C ATOM 144 CD1 LEU A 19 35.811 15.244 38.483 1.00 18.29 C ATOM 145 CD2 LEU A 19 35.964 16.295 36.224 1.00 20.86 C ATOM 0 H LEU A 19 40.147 14.393 37.559 1.00 16.34 H new ATOM 0 HA LEU A 19 37.924 13.610 38.669 1.00 14.70 H new ATOM 0 HB2 LEU A 19 38.249 15.630 37.363 1.00 15.49 H new ATOM 0 HB3 LEU A 19 38.084 14.743 36.091 1.00 15.49 H new ATOM 0 HG LEU A 19 35.850 14.297 36.673 1.00 17.68 H new ATOM 0 HD11 LEU A 19 34.852 15.391 38.483 1.00 18.29 H new ATOM 0 HD12 LEU A 19 36.015 14.445 38.994 1.00 18.29 H new ATOM 0 HD13 LEU A 19 36.255 16.007 38.886 1.00 18.29 H new ATOM 0 HD21 LEU A 19 35.006 16.446 36.242 1.00 20.86 H new ATOM 0 HD22 LEU A 19 36.420 17.068 36.592 1.00 20.86 H new ATOM 0 HD23 LEU A 19 36.252 16.157 35.308 1.00 20.86 H new ATOM 146 N VAL A 20 38.769 11.900 36.122 1.00 13.39 N ATOM 147 CA VAL A 20 38.528 10.602 35.493 1.00 15.55 C ATOM 148 C VAL A 20 38.523 9.488 36.549 1.00 18.10 C ATOM 149 O VAL A 20 37.638 8.630 36.562 1.00 14.68 O ATOM 150 CB VAL A 20 39.559 10.278 34.400 1.00 15.01 C ATOM 151 CG1 VAL A 20 39.425 8.822 33.961 1.00 15.13 C ATOM 152 CG2 VAL A 20 39.388 11.220 33.196 1.00 17.20 C ATOM 0 H VAL A 20 39.453 12.331 35.828 1.00 13.39 H new ATOM 0 HA VAL A 20 37.658 10.653 35.067 1.00 15.55 H new ATOM 0 HB VAL A 20 40.447 10.411 34.767 1.00 15.01 H new ATOM 0 HG11 VAL A 20 40.080 8.630 33.272 1.00 15.13 H new ATOM 0 HG12 VAL A 20 39.576 8.239 34.722 1.00 15.13 H new ATOM 0 HG13 VAL A 20 38.533 8.670 33.610 1.00 15.13 H new ATOM 0 HG21 VAL A 20 40.046 11.001 32.518 1.00 17.20 H new ATOM 0 HG22 VAL A 20 38.497 11.116 32.827 1.00 17.20 H new ATOM 0 HG23 VAL A 20 39.513 12.138 33.483 1.00 17.20 H new ATOM 153 N ASN A 21 39.508 9.511 37.442 1.00 15.51 N ATOM 154 CA ASN A 21 39.581 8.519 38.505 1.00 15.93 C ATOM 155 C ASN A 21 38.322 8.561 39.378 1.00 15.13 C ATOM 156 O ASN A 21 37.768 7.519 39.714 1.00 17.88 O ATOM 157 CB ASN A 21 40.843 8.718 39.363 1.00 17.82 C ATOM 158 CG ASN A 21 41.104 7.543 40.307 1.00 18.34 C ATOM 159 OD1 ASN A 21 41.714 6.541 39.926 1.00 21.78 O ATOM 160 ND2 ASN A 21 40.645 7.664 41.531 1.00 18.06 N ATOM 0 H ASN A 21 40.142 10.092 37.449 1.00 15.51 H new ATOM 0 HA ASN A 21 39.635 7.644 38.090 1.00 15.93 H new ATOM 0 HB2 ASN A 21 41.610 8.838 38.781 1.00 17.82 H new ATOM 0 HB3 ASN A 21 40.752 9.532 39.883 1.00 17.82 H new ATOM 0 HD21 ASN A 21 40.766 7.031 42.100 1.00 18.06 H new ATOM 0 HD22 ASN A 21 40.224 8.377 41.764 1.00 18.06 H new ATOM 161 N LEU A 22 37.872 9.764 39.731 1.00 13.87 N ATOM 162 CA ALEU A 22 36.681 9.916 40.566 0.55 16.58 C ATOM 163 CA BLEU A 22 36.691 9.912 40.572 0.45 16.56 C ATOM 164 C LEU A 22 35.450 9.336 39.894 1.00 15.47 C ATOM 165 O LEU A 22 34.637 8.696 40.537 1.00 14.13 O ATOM 166 CB ALEU A 22 36.426 11.388 40.919 0.55 15.86 C ATOM 167 CB BLEU A 22 36.472 11.385 40.942 0.45 15.90 C ATOM 168 CG ALEU A 22 37.468 12.071 41.800 0.55 15.75 C ATOM 169 CG BLEU A 22 35.647 11.641 42.200 0.45 15.15 C ATOM 170 CD1ALEU A 22 37.099 13.537 42.025 0.55 17.85 C ATOM 171 CD1BLEU A 22 36.323 11.044 43.428 0.45 16.30 C ATOM 172 CD2ALEU A 22 37.615 11.342 43.123 0.55 18.38 C ATOM 173 CD2BLEU A 22 35.393 13.139 42.392 0.45 20.19 C ATOM 0 H ALEU A 22 38.242 10.505 39.498 0.55 13.87 H new ATOM 0 H BLEU A 22 38.237 10.505 39.493 0.45 13.87 H new ATOM 0 HA ALEU A 22 36.851 9.423 41.384 0.55 16.56 H new ATOM 0 HA BLEU A 22 36.843 9.409 41.387 0.45 16.56 H new ATOM 0 HB2ALEU A 22 36.353 11.890 40.092 0.55 15.90 H new ATOM 0 HB2BLEU A 22 37.339 11.805 41.054 0.45 15.90 H new ATOM 0 HB3ALEU A 22 35.566 11.448 41.364 0.55 15.90 H new ATOM 0 HB3BLEU A 22 36.037 11.827 40.196 0.45 15.90 H new ATOM 0 HG ALEU A 22 38.323 12.039 41.344 0.55 15.15 H new ATOM 0 HG BLEU A 22 34.789 11.202 42.088 0.45 15.15 H new ATOM 0 HD11ALEU A 22 37.770 13.957 42.586 0.55 16.30 H new ATOM 0 HD11BLEU A 22 35.781 11.219 44.213 0.45 16.30 H new ATOM 0 HD12ALEU A 22 37.059 13.995 41.171 0.55 16.30 H new ATOM 0 HD12BLEU A 22 36.421 10.086 43.310 0.45 16.30 H new ATOM 0 HD13ALEU A 22 36.234 13.590 42.461 0.55 16.30 H new ATOM 0 HD13BLEU A 22 37.198 11.446 43.543 0.45 16.30 H new ATOM 0 HD21ALEU A 22 38.281 11.791 43.668 0.55 20.19 H new ATOM 0 HD21BLEU A 22 34.868 13.278 43.196 0.45 20.19 H new ATOM 0 HD22ALEU A 22 36.764 11.341 43.588 0.55 20.19 H new ATOM 0 HD22BLEU A 22 36.241 13.603 42.476 0.45 20.19 H new ATOM 0 HD23ALEU A 22 37.895 10.428 42.960 0.55 20.19 H new ATOM 0 HD23BLEU A 22 34.909 13.486 41.626 0.45 20.19 H new ATOM 174 N TYR A 23 35.315 9.574 38.593 1.00 14.56 N ATOM 175 CA TYR A 23 34.173 9.050 37.850 1.00 15.08 C ATOM 176 C TYR A 23 34.205 7.522 37.702 1.00 14.66 C ATOM 177 O TYR A 23 33.177 6.862 37.831 1.00 14.39 O ATOM 178 CB TYR A 23 34.057 9.719 36.475 1.00 15.20 C ATOM 179 CG TYR A 23 33.138 10.932 36.515 1.00 16.55 C ATOM 180 CD1 TYR A 23 31.829 10.849 36.059 1.00 17.42 C ATOM 181 CD2 TYR A 23 33.574 12.142 37.055 1.00 18.06 C ATOM 182 CE1 TYR A 23 30.970 11.954 36.119 1.00 19.05 C ATOM 183 CE2 TYR A 23 32.728 13.253 37.111 1.00 18.78 C ATOM 184 CZ TYR A 23 31.429 13.149 36.642 1.00 22.88 C ATOM 185 OH TYR A 23 30.592 14.244 36.698 1.00 24.40 O ATOM 0 H TYR A 23 35.870 10.034 38.124 1.00 14.56 H new ATOM 0 HA TYR A 23 33.386 9.266 38.374 1.00 15.08 H new ATOM 0 HB2 TYR A 23 34.938 9.990 36.171 1.00 15.20 H new ATOM 0 HB3 TYR A 23 33.719 9.078 35.830 1.00 15.20 H new ATOM 0 HD1 TYR A 23 31.517 10.046 35.708 1.00 17.42 H new ATOM 0 HD2 TYR A 23 34.442 12.211 37.383 1.00 18.06 H new ATOM 0 HE1 TYR A 23 30.096 11.884 35.809 1.00 19.05 H new ATOM 0 HE2 TYR A 23 33.036 14.058 37.461 1.00 18.78 H new ATOM 0 HH TYR A 23 29.818 14.018 36.462 1.00 24.40 H new ATOM 186 N LEU A 24 35.378 6.973 37.411 1.00 13.43 N ATOM 187 CA LEU A 24 35.530 5.519 37.355 1.00 15.86 C ATOM 188 C LEU A 24 35.248 4.888 38.722 1.00 16.98 C ATOM 189 O LEU A 24 34.632 3.826 38.813 1.00 15.69 O ATOM 190 CB LEU A 24 36.920 5.123 36.864 1.00 14.40 C ATOM 191 CG LEU A 24 37.275 5.508 35.430 1.00 17.22 C ATOM 192 CD1 LEU A 24 38.717 5.120 35.148 1.00 19.26 C ATOM 193 CD2 LEU A 24 36.314 4.856 34.426 1.00 19.64 C ATOM 0 H LEU A 24 36.095 7.418 37.244 1.00 13.43 H new ATOM 0 HA LEU A 24 34.880 5.182 36.719 1.00 15.86 H new ATOM 0 HB2 LEU A 24 37.576 5.523 37.456 1.00 14.40 H new ATOM 0 HB3 LEU A 24 37.009 4.161 36.950 1.00 14.40 H new ATOM 0 HG LEU A 24 37.182 6.468 35.327 1.00 17.22 H new ATOM 0 HD11 LEU A 24 38.946 5.363 34.237 1.00 19.26 H new ATOM 0 HD12 LEU A 24 39.304 5.586 35.764 1.00 19.26 H new ATOM 0 HD13 LEU A 24 38.823 4.163 35.263 1.00 19.26 H new ATOM 0 HD21 LEU A 24 36.561 5.116 33.525 1.00 19.64 H new ATOM 0 HD22 LEU A 24 36.365 3.891 34.509 1.00 19.64 H new ATOM 0 HD23 LEU A 24 35.407 5.148 34.609 1.00 19.64 H new ATOM 194 N ARG A 25 35.693 5.540 39.790 1.00 15.56 N ATOM 195 CA AARG A 25 35.419 5.014 41.126 0.51 16.94 C ATOM 196 CA BARG A 25 35.435 5.068 41.148 0.49 16.91 C ATOM 197 C ARG A 25 33.936 5.116 41.469 1.00 14.31 C ATOM 198 O ARG A 25 33.382 4.209 42.089 1.00 14.36 O ATOM 199 CB AARG A 25 36.250 5.716 42.196 0.51 19.99 C ATOM 200 CB BARG A 25 36.220 5.937 42.133 0.49 19.90 C ATOM 201 CG AARG A 25 35.577 5.691 43.555 0.51 22.23 C ATOM 202 CG BARG A 25 36.091 5.546 43.586 0.49 22.26 C ATOM 203 CD AARG A 25 36.126 4.625 44.499 0.51 23.62 C ATOM 204 CD BARG A 25 36.632 6.663 44.484 0.49 22.93 C ATOM 205 NE AARG A 25 36.951 5.242 45.528 0.51 24.90 N ATOM 206 NE BARG A 25 38.048 6.498 44.783 0.49 25.42 N ATOM 207 CZ AARG A 25 36.779 5.103 46.839 0.51 27.73 C ATOM 208 CZ BARG A 25 38.816 7.443 45.313 0.49 28.32 C ATOM 209 NH1AARG A 25 37.603 5.728 47.669 0.51 29.80 N ATOM 210 NH1BARG A 25 38.311 8.641 45.587 0.49 23.99 N ATOM 211 NH2AARG A 25 35.808 4.339 47.325 0.51 27.18 N ATOM 212 NH2BARG A 25 40.097 7.194 45.556 0.49 29.42 N ATOM 0 H AARG A 25 36.145 6.271 39.768 0.51 15.56 H new ATOM 0 H BARG A 25 36.152 6.266 39.750 0.49 15.56 H new ATOM 0 HA AARG A 25 35.672 4.078 41.113 0.51 16.91 H new ATOM 0 HA BARG A 25 35.723 4.145 41.225 0.49 16.91 H new ATOM 0 HB2AARG A 25 37.119 5.289 42.260 0.51 19.90 H new ATOM 0 HB2BARG A 25 37.158 5.910 41.888 0.49 19.90 H new ATOM 0 HB3AARG A 25 36.405 6.636 41.931 0.51 19.90 H new ATOM 0 HB3BARG A 25 35.928 6.857 42.034 0.49 19.90 H new ATOM 0 HG2AARG A 25 35.677 6.561 43.971 0.51 22.26 H new ATOM 0 HG2BARG A 25 35.161 5.372 43.800 0.49 22.26 H new ATOM 0 HG3AARG A 25 34.626 5.543 43.432 0.51 22.26 H new ATOM 0 HG3BARG A 25 36.579 4.724 43.751 0.49 22.26 H new ATOM 0 HD2AARG A 25 35.394 4.139 44.910 0.51 22.93 H new ATOM 0 HD2BARG A 25 36.493 7.519 44.050 0.49 22.93 H new ATOM 0 HD3AARG A 25 36.650 3.979 43.999 0.51 22.93 H new ATOM 0 HD3BARG A 25 36.129 6.680 45.313 0.49 22.93 H new ATOM 0 HE AARG A 25 37.603 5.737 45.266 0.51 25.42 H new ATOM 0 HE BARG A 25 38.410 5.739 44.605 0.49 25.42 H new ATOM 0 HH11AARG A 25 38.239 6.216 47.357 0.51 23.99 H new ATOM 0 HH11BARG A 25 37.484 8.807 45.421 0.49 23.99 H new ATOM 0 HH12AARG A 25 37.501 5.645 48.519 0.51 23.99 H new ATOM 0 HH12BARG A 25 38.811 9.250 45.930 0.49 23.99 H new ATOM 0 HH21AARG A 25 35.278 3.924 46.789 0.51 29.42 H new ATOM 0 HH21BARG A 25 40.428 6.422 45.370 0.49 29.42 H new ATOM 0 HH22AARG A 25 35.709 4.259 48.175 0.51 29.42 H new ATOM 0 HH22BARG A 25 40.596 7.804 45.899 0.49 29.42 H new ATOM 213 N ALA A 26 33.290 6.207 41.065 1.00 14.58 N ATOM 214 CA ALA A 26 31.845 6.334 41.258 1.00 13.50 C ATOM 215 C ALA A 26 31.117 5.223 40.506 1.00 13.96 C ATOM 216 O ALA A 26 30.187 4.605 41.023 1.00 12.89 O ATOM 217 CB ALA A 26 31.352 7.702 40.794 1.00 13.58 C ATOM 0 H ALA A 26 33.664 6.879 40.681 1.00 14.58 H new ATOM 0 HA ALA A 26 31.654 6.251 42.205 1.00 13.50 H new ATOM 0 HB1 ALA A 26 30.394 7.764 40.931 1.00 13.58 H new ATOM 0 HB2 ALA A 26 31.797 8.397 41.304 1.00 13.58 H new ATOM 0 HB3 ALA A 26 31.552 7.816 39.852 1.00 13.58 H new ATOM 218 N SER A 27 31.552 4.960 39.281 1.00 14.39 N ATOM 219 CA SER A 27 30.980 3.872 38.491 1.00 14.24 C ATOM 220 C SER A 27 31.095 2.514 39.204 1.00 17.04 C ATOM 221 O SER A 27 30.152 1.709 39.222 1.00 14.78 O ATOM 222 CB SER A 27 31.683 3.802 37.143 1.00 16.05 C ATOM 223 OG SER A 27 31.040 2.864 36.318 1.00 19.86 O ATOM 0 H SER A 27 32.178 5.398 38.886 1.00 14.39 H new ATOM 0 HA SER A 27 30.036 4.059 38.370 1.00 14.24 H new ATOM 0 HB2 SER A 27 31.677 4.675 36.720 1.00 16.05 H new ATOM 0 HB3 SER A 27 32.612 3.553 37.266 1.00 16.05 H new ATOM 0 HG SER A 27 30.326 3.194 36.022 1.00 19.86 H new ATOM 224 N TYR A 28 32.264 2.277 39.782 1.00 15.92 N ATOM 225 CA TYR A 28 32.562 1.056 40.519 1.00 16.73 C ATOM 226 C TYR A 28 31.654 0.947 41.742 1.00 15.51 C ATOM 227 O TYR A 28 31.105 -0.115 42.030 1.00 15.34 O ATOM 228 CB TYR A 28 34.038 1.080 40.958 1.00 14.69 C ATOM 229 CG TYR A 28 34.653 -0.271 41.279 1.00 17.07 C ATOM 230 CD1 TYR A 28 34.002 -1.460 40.967 1.00 17.55 C ATOM 231 CD2 TYR A 28 35.892 -0.350 41.907 1.00 18.41 C ATOM 232 CE1 TYR A 28 34.582 -2.693 41.265 1.00 17.15 C ATOM 233 CE2 TYR A 28 36.475 -1.572 42.213 1.00 16.99 C ATOM 234 CZ TYR A 28 35.819 -2.737 41.889 1.00 16.29 C ATOM 235 OH TYR A 28 36.409 -3.940 42.195 1.00 14.43 O ATOM 0 H TYR A 28 32.920 2.832 39.757 1.00 15.92 H new ATOM 0 HA TYR A 28 32.405 0.287 39.949 1.00 16.73 H new ATOM 0 HB2 TYR A 28 34.561 1.496 40.254 1.00 14.69 H new ATOM 0 HB3 TYR A 28 34.116 1.647 41.742 1.00 14.69 H new ATOM 0 HD1 TYR A 28 33.169 -1.432 40.554 1.00 17.55 H new ATOM 0 HD2 TYR A 28 36.340 0.435 42.127 1.00 18.41 H new ATOM 0 HE1 TYR A 28 34.141 -3.482 41.046 1.00 17.15 H new ATOM 0 HE2 TYR A 28 37.304 -1.603 42.634 1.00 16.99 H new ATOM 0 HH TYR A 28 37.150 -3.803 42.566 1.00 14.43 H new ATOM 236 N THR A 29 31.514 2.049 42.470 1.00 14.13 N ATOM 237 CA THR A 29 30.591 2.116 43.604 1.00 14.00 C ATOM 238 C THR A 29 29.157 1.735 43.213 1.00 15.24 C ATOM 239 O THR A 29 28.501 0.952 43.905 1.00 13.06 O ATOM 240 CB THR A 29 30.629 3.515 44.239 1.00 14.81 C ATOM 241 OG1 THR A 29 31.928 3.721 44.804 1.00 16.45 O ATOM 242 CG2 THR A 29 29.568 3.668 45.332 1.00 17.04 C ATOM 0 H THR A 29 31.948 2.777 42.324 1.00 14.13 H new ATOM 0 HA THR A 29 30.887 1.463 44.257 1.00 14.00 H new ATOM 0 HB THR A 29 30.442 4.173 43.552 1.00 14.81 H new ATOM 0 HG1 THR A 29 32.498 3.764 44.188 1.00 16.45 H new ATOM 0 HG21 THR A 29 29.619 4.560 45.711 1.00 17.04 H new ATOM 0 HG22 THR A 29 28.687 3.530 44.950 1.00 17.04 H new ATOM 0 HG23 THR A 29 29.724 3.012 46.029 1.00 17.04 H new ATOM 243 N TYR A 30 28.673 2.290 42.106 1.00 13.34 N ATOM 244 CA TYR A 30 27.318 1.988 41.620 1.00 15.21 C ATOM 245 C TYR A 30 27.150 0.547 41.148 1.00 15.48 C ATOM 246 O TYR A 30 26.072 -0.044 41.310 1.00 13.75 O ATOM 247 CB TYR A 30 26.898 2.963 40.508 1.00 11.99 C ATOM 248 CG TYR A 30 26.537 4.318 41.055 1.00 16.17 C ATOM 249 CD1 TYR A 30 25.709 4.428 42.166 1.00 18.58 C ATOM 250 CD2 TYR A 30 27.044 5.485 40.487 1.00 17.68 C ATOM 251 CE1 TYR A 30 25.371 5.661 42.688 1.00 18.29 C ATOM 252 CE2 TYR A 30 26.706 6.737 41.009 1.00 17.58 C ATOM 253 CZ TYR A 30 25.875 6.806 42.106 1.00 19.35 C ATOM 254 OH TYR A 30 25.540 8.017 42.631 1.00 19.28 O ATOM 0 H TYR A 30 29.110 2.846 41.617 1.00 13.34 H new ATOM 0 HA TYR A 30 26.732 2.102 42.385 1.00 15.21 H new ATOM 0 HB2 TYR A 30 27.622 3.055 39.869 1.00 11.99 H new ATOM 0 HB3 TYR A 30 26.140 2.597 40.027 1.00 11.99 H new ATOM 0 HD1 TYR A 30 25.376 3.657 42.565 1.00 18.58 H new ATOM 0 HD2 TYR A 30 27.613 5.430 39.753 1.00 17.68 H new ATOM 0 HE1 TYR A 30 24.808 5.719 43.426 1.00 18.29 H new ATOM 0 HE2 TYR A 30 27.038 7.514 40.621 1.00 17.58 H new ATOM 0 HH TYR A 30 25.975 8.621 42.242 1.00 19.28 H new ATOM 255 N LEU A 31 28.213 -0.013 40.570 1.00 13.03 N ATOM 256 CA LEU A 31 28.227 -1.435 40.222 1.00 14.95 C ATOM 257 C LEU A 31 27.979 -2.282 41.464 1.00 15.73 C ATOM 258 O LEU A 31 27.165 -3.207 41.449 1.00 15.74 O ATOM 259 CB LEU A 31 29.566 -1.825 39.587 1.00 15.32 C ATOM 260 CG LEU A 31 29.708 -3.289 39.171 1.00 21.70 C ATOM 261 CD1 LEU A 31 28.805 -3.592 37.987 1.00 17.26 C ATOM 262 CD2 LEU A 31 31.171 -3.619 38.838 1.00 19.08 C ATOM 0 H LEU A 31 28.934 0.411 40.371 1.00 13.03 H new ATOM 0 HA LEU A 31 27.520 -1.597 39.578 1.00 14.95 H new ATOM 0 HB2 LEU A 31 29.707 -1.270 38.804 1.00 15.32 H new ATOM 0 HB3 LEU A 31 30.275 -1.615 40.215 1.00 15.32 H new ATOM 0 HG LEU A 31 29.435 -3.848 39.915 1.00 21.70 H new ATOM 0 HD11 LEU A 31 28.905 -4.523 37.734 1.00 17.26 H new ATOM 0 HD12 LEU A 31 27.882 -3.421 38.232 1.00 17.26 H new ATOM 0 HD13 LEU A 31 29.051 -3.026 37.239 1.00 17.26 H new ATOM 0 HD21 LEU A 31 31.241 -4.550 38.577 1.00 19.08 H new ATOM 0 HD22 LEU A 31 31.472 -3.055 38.108 1.00 19.08 H new ATOM 0 HD23 LEU A 31 31.725 -3.460 39.619 1.00 19.08 H new ATOM 263 N SER A 32 28.684 -1.954 42.549 1.00 14.82 N ATOM 264 CA SER A 32 28.529 -2.681 43.807 1.00 15.74 C ATOM 265 C SER A 32 27.134 -2.493 44.407 1.00 13.74 C ATOM 266 O SER A 32 26.504 -3.459 44.858 1.00 13.93 O ATOM 267 CB SER A 32 29.612 -2.257 44.807 1.00 12.01 C ATOM 268 OG SER A 32 29.360 -2.814 46.083 1.00 14.40 O ATOM 0 H SER A 32 29.257 -1.313 42.576 1.00 14.82 H new ATOM 0 HA SER A 32 28.634 -3.626 43.614 1.00 15.74 H new ATOM 0 HB2 SER A 32 30.482 -2.545 44.490 1.00 12.01 H new ATOM 0 HB3 SER A 32 29.639 -1.289 44.871 1.00 12.01 H new ATOM 0 HG SER A 32 30.083 -2.890 46.504 1.00 14.40 H new ATOM 269 N LEU A 33 26.661 -1.248 44.420 1.00 13.30 N ATOM 270 CA LEU A 33 25.298 -0.950 44.874 1.00 16.05 C ATOM 271 C LEU A 33 24.270 -1.759 44.108 1.00 13.97 C ATOM 272 O LEU A 33 23.408 -2.387 44.710 1.00 16.73 O ATOM 273 CB LEU A 33 24.980 0.545 44.746 1.00 14.72 C ATOM 274 CG LEU A 33 25.393 1.397 45.946 1.00 16.85 C ATOM 275 CD1 LEU A 33 25.571 2.863 45.539 1.00 18.00 C ATOM 276 CD2 LEU A 33 24.367 1.257 47.078 1.00 15.69 C ATOM 0 H LEU A 33 27.112 -0.560 44.170 1.00 13.30 H new ATOM 0 HA LEU A 33 25.253 -1.198 45.811 1.00 16.05 H new ATOM 0 HB2 LEU A 33 25.422 0.889 43.954 1.00 14.72 H new ATOM 0 HB3 LEU A 33 24.026 0.648 44.606 1.00 14.72 H new ATOM 0 HG LEU A 33 26.249 1.076 46.271 1.00 16.85 H new ATOM 0 HD11 LEU A 33 25.832 3.385 46.314 1.00 18.00 H new ATOM 0 HD12 LEU A 33 26.259 2.929 44.858 1.00 18.00 H new ATOM 0 HD13 LEU A 33 24.734 3.205 45.187 1.00 18.00 H new ATOM 0 HD21 LEU A 33 24.641 1.802 47.832 1.00 15.69 H new ATOM 0 HD22 LEU A 33 23.497 1.552 46.765 1.00 15.69 H new ATOM 0 HD23 LEU A 33 24.313 0.328 47.353 1.00 15.69 H new ATOM 277 N GLY A 34 24.369 -1.741 42.780 1.00 14.62 N ATOM 278 CA GLY A 34 23.465 -2.494 41.924 1.00 17.59 C ATOM 279 C GLY A 34 23.394 -3.987 42.227 1.00 18.17 C ATOM 280 O GLY A 34 22.315 -4.560 42.405 1.00 16.18 O ATOM 0 H GLY A 34 24.964 -1.290 42.353 1.00 14.62 H new ATOM 0 HA2 GLY A 34 22.575 -2.118 42.004 1.00 17.59 H new ATOM 0 HA3 GLY A 34 23.740 -2.377 41.001 1.00 17.59 H new ATOM 281 N PHE A 35 24.544 -4.637 42.288 1.00 13.09 N ATOM 282 CA PHE A 35 24.535 -6.066 42.568 1.00 15.84 C ATOM 283 C PHE A 35 24.160 -6.447 43.997 1.00 13.97 C ATOM 284 O PHE A 35 23.671 -7.534 44.232 1.00 14.63 O ATOM 285 CB PHE A 35 25.826 -6.723 42.087 1.00 17.25 C ATOM 286 CG PHE A 35 25.820 -6.972 40.612 1.00 14.34 C ATOM 287 CD1 PHE A 35 25.142 -8.072 40.091 1.00 15.40 C ATOM 288 CD2 PHE A 35 26.433 -6.086 39.741 1.00 17.24 C ATOM 289 CE1 PHE A 35 25.102 -8.297 38.721 1.00 17.03 C ATOM 290 CE2 PHE A 35 26.393 -6.300 38.368 1.00 17.04 C ATOM 291 CZ PHE A 35 25.726 -7.410 37.859 1.00 19.39 C ATOM 0 H PHE A 35 25.320 -4.285 42.174 1.00 13.09 H new ATOM 0 HA PHE A 35 23.801 -6.430 42.049 1.00 15.84 H new ATOM 0 HB2 PHE A 35 26.579 -6.156 42.314 1.00 17.25 H new ATOM 0 HB3 PHE A 35 25.953 -7.563 42.554 1.00 17.25 H new ATOM 0 HD1 PHE A 35 24.712 -8.662 40.667 1.00 15.40 H new ATOM 0 HD2 PHE A 35 26.876 -5.341 40.078 1.00 17.24 H new ATOM 0 HE1 PHE A 35 24.658 -9.041 38.383 1.00 17.03 H new ATOM 0 HE2 PHE A 35 26.811 -5.703 37.791 1.00 17.04 H new ATOM 0 HZ PHE A 35 25.699 -7.556 36.941 1.00 19.39 H new ATOM 292 N TYR A 36 24.363 -5.537 44.942 1.00 13.64 N ATOM 293 CA TYR A 36 23.859 -5.736 46.292 1.00 15.20 C ATOM 294 C TYR A 36 22.322 -5.856 46.305 1.00 14.26 C ATOM 295 O TYR A 36 21.757 -6.747 46.952 1.00 16.74 O ATOM 296 CB TYR A 36 24.348 -4.610 47.222 1.00 13.42 C ATOM 297 CG TYR A 36 23.642 -4.603 48.557 1.00 16.13 C ATOM 298 CD1 TYR A 36 24.016 -5.475 49.576 1.00 15.24 C ATOM 299 CD2 TYR A 36 22.587 -3.730 48.792 1.00 16.07 C ATOM 300 CE1 TYR A 36 23.343 -5.478 50.800 1.00 18.06 C ATOM 301 CE2 TYR A 36 21.918 -3.715 50.003 1.00 16.95 C ATOM 302 CZ TYR A 36 22.296 -4.589 51.002 1.00 17.91 C ATOM 303 OH TYR A 36 21.622 -4.555 52.196 1.00 18.57 O ATOM 0 H TYR A 36 24.789 -4.800 44.822 1.00 13.64 H new ATOM 0 HA TYR A 36 24.212 -6.575 46.627 1.00 15.20 H new ATOM 0 HB2 TYR A 36 25.302 -4.707 47.366 1.00 13.42 H new ATOM 0 HB3 TYR A 36 24.213 -3.754 46.785 1.00 13.42 H new ATOM 0 HD1 TYR A 36 24.723 -6.063 49.440 1.00 15.24 H new ATOM 0 HD2 TYR A 36 22.325 -3.143 48.120 1.00 16.07 H new ATOM 0 HE1 TYR A 36 23.594 -6.069 51.473 1.00 18.06 H new ATOM 0 HE2 TYR A 36 21.218 -3.119 50.143 1.00 16.95 H new ATOM 0 HH TYR A 36 21.192 -3.836 52.255 1.00 18.57 H new ATOM 304 N PHE A 37 21.636 -4.984 45.572 1.00 15.05 N ATOM 305 CA PHE A 37 20.175 -5.045 45.526 1.00 13.63 C ATOM 306 C PHE A 37 19.635 -6.220 44.687 1.00 15.13 C ATOM 307 O PHE A 37 18.443 -6.547 44.737 1.00 18.40 O ATOM 308 CB PHE A 37 19.576 -3.677 45.129 1.00 16.08 C ATOM 309 CG PHE A 37 19.674 -2.653 46.233 1.00 14.19 C ATOM 310 CD1 PHE A 37 18.763 -2.659 47.285 1.00 13.99 C ATOM 311 CD2 PHE A 37 20.706 -1.730 46.257 1.00 15.46 C ATOM 312 CE1 PHE A 37 18.866 -1.755 48.321 1.00 13.97 C ATOM 313 CE2 PHE A 37 20.811 -0.814 47.293 1.00 13.07 C ATOM 314 CZ PHE A 37 19.887 -0.833 48.334 1.00 17.15 C ATOM 0 H PHE A 37 21.989 -4.358 45.100 1.00 15.05 H new ATOM 0 HA PHE A 37 19.870 -5.238 46.426 1.00 13.63 H new ATOM 0 HB2 PHE A 37 20.035 -3.343 44.343 1.00 16.08 H new ATOM 0 HB3 PHE A 37 18.645 -3.795 44.885 1.00 16.08 H new ATOM 0 HD1 PHE A 37 18.073 -3.283 47.289 1.00 13.99 H new ATOM 0 HD2 PHE A 37 21.335 -1.724 45.572 1.00 15.46 H new ATOM 0 HE1 PHE A 37 18.244 -1.769 49.012 1.00 13.97 H new ATOM 0 HE2 PHE A 37 21.498 -0.187 47.292 1.00 13.07 H new ATOM 0 HZ PHE A 37 19.960 -0.226 49.035 1.00 17.15 H new ATOM 315 N ASP A 38 20.529 -6.861 43.944 1.00 15.72 N ATOM 316 CA ASP A 38 20.214 -8.083 43.203 1.00 15.95 C ATOM 317 C ASP A 38 20.396 -9.358 44.063 1.00 15.43 C ATOM 318 O ASP A 38 20.099 -10.452 43.603 1.00 16.84 O ATOM 319 CB ASP A 38 21.075 -8.134 41.932 1.00 17.09 C ATOM 320 CG ASP A 38 20.839 -9.385 41.087 1.00 20.49 C ATOM 321 OD1 ASP A 38 19.726 -9.571 40.562 1.00 21.60 O ATOM 322 OD2 ASP A 38 21.792 -10.166 40.908 1.00 23.66 O ATOM 0 H ASP A 38 21.343 -6.599 43.853 1.00 15.72 H new ATOM 0 HA ASP A 38 19.276 -8.060 42.957 1.00 15.95 H new ATOM 0 HB2 ASP A 38 20.891 -7.349 41.393 1.00 17.09 H new ATOM 0 HB3 ASP A 38 22.011 -8.093 42.182 1.00 17.09 H new ATOM 323 N ARG A 39 20.891 -9.223 45.292 1.00 14.59 N ATOM 324 CA ARG A 39 21.040 -10.379 46.192 1.00 15.12 C ATOM 325 C ARG A 39 19.676 -11.002 46.490 1.00 16.07 C ATOM 326 O ARG A 39 18.700 -10.273 46.646 1.00 14.21 O ATOM 327 CB ARG A 39 21.703 -9.972 47.517 1.00 15.40 C ATOM 328 CG ARG A 39 23.203 -9.677 47.422 1.00 16.38 C ATOM 329 CD ARG A 39 23.775 -9.104 48.715 1.00 16.51 C ATOM 330 NE ARG A 39 23.335 -9.783 49.939 1.00 21.07 N ATOM 331 CZ ARG A 39 23.940 -9.651 51.124 1.00 26.00 C ATOM 332 NH1 ARG A 39 25.041 -8.911 51.240 1.00 21.82 N ATOM 333 NH2 ARG A 39 23.467 -10.277 52.196 1.00 25.08 N ATOM 0 H ARG A 39 21.147 -8.474 45.628 1.00 14.59 H new ATOM 0 HA ARG A 39 21.606 -11.026 45.743 1.00 15.12 H new ATOM 0 HB2 ARG A 39 21.253 -9.185 47.861 1.00 15.40 H new ATOM 0 HB3 ARG A 39 21.566 -10.682 48.164 1.00 15.40 H new ATOM 0 HG2 ARG A 39 23.676 -10.494 47.198 1.00 16.38 H new ATOM 0 HG3 ARG A 39 23.360 -9.051 46.698 1.00 16.38 H new ATOM 0 HD2 ARG A 39 24.743 -9.142 48.670 1.00 16.51 H new ATOM 0 HD3 ARG A 39 23.530 -8.167 48.774 1.00 16.51 H new ATOM 0 HE ARG A 39 22.647 -10.297 49.891 1.00 21.07 H new ATOM 0 HH11 ARG A 39 25.367 -8.514 50.550 1.00 21.82 H new ATOM 0 HH12 ARG A 39 25.426 -8.830 52.005 1.00 21.82 H new ATOM 0 HH21 ARG A 39 22.767 -10.772 52.131 1.00 25.08 H new ATOM 0 HH22 ARG A 39 23.861 -10.188 52.955 1.00 25.08 H new ATOM 334 N ASP A 40 19.608 -12.334 46.584 1.00 14.44 N ATOM 335 CA ASP A 40 18.333 -13.005 46.867 1.00 17.20 C ATOM 336 C ASP A 40 17.763 -12.599 48.227 1.00 15.28 C ATOM 337 O ASP A 40 16.552 -12.676 48.440 1.00 17.82 O ATOM 338 CB ASP A 40 18.449 -14.533 46.769 1.00 15.31 C ATOM 339 CG ASP A 40 19.114 -15.144 47.984 1.00 20.64 C ATOM 340 OD1 ASP A 40 20.352 -15.281 47.961 1.00 20.46 O ATOM 341 OD2 ASP A 40 18.403 -15.479 48.960 1.00 20.01 O ATOM 0 H ASP A 40 20.280 -12.862 46.489 1.00 14.44 H new ATOM 0 HA ASP A 40 17.714 -12.709 46.181 1.00 17.20 H new ATOM 0 HB2 ASP A 40 17.564 -14.915 46.662 1.00 15.31 H new ATOM 0 HB3 ASP A 40 18.956 -14.766 45.975 1.00 15.31 H new ATOM 342 N ASP A 41 18.625 -12.155 49.141 1.00 15.24 N ATOM 343 CA ASP A 41 18.169 -11.726 50.459 1.00 17.23 C ATOM 344 C ASP A 41 17.958 -10.201 50.561 1.00 16.83 C ATOM 345 O ASP A 41 17.737 -9.655 51.653 1.00 15.51 O ATOM 346 CB ASP A 41 19.119 -12.232 51.556 1.00 20.13 C ATOM 347 CG ASP A 41 20.511 -11.632 51.447 1.00 22.67 C ATOM 348 OD1 ASP A 41 20.817 -10.975 50.431 1.00 19.89 O ATOM 349 OD2 ASP A 41 21.305 -11.813 52.379 1.00 21.26 O ATOM 0 H ASP A 41 19.474 -12.095 49.017 1.00 15.24 H new ATOM 0 HA ASP A 41 17.296 -12.127 50.595 1.00 17.23 H new ATOM 0 HB2 ASP A 41 18.746 -12.019 52.426 1.00 20.13 H new ATOM 0 HB3 ASP A 41 19.182 -13.199 51.504 1.00 20.13 H new ATOM 350 N VAL A 42 18.042 -9.520 49.421 1.00 17.42 N ATOM 351 CA VAL A 42 17.714 -8.096 49.352 1.00 16.13 C ATOM 352 C VAL A 42 16.573 -7.920 48.349 1.00 14.25 C ATOM 353 O VAL A 42 15.506 -7.445 48.712 1.00 16.63 O ATOM 354 CB VAL A 42 18.944 -7.228 48.996 1.00 16.93 C ATOM 355 CG1 VAL A 42 18.554 -5.739 48.913 1.00 13.89 C ATOM 356 CG2 VAL A 42 20.051 -7.432 50.044 1.00 13.67 C ATOM 0 H VAL A 42 18.288 -9.865 48.673 1.00 17.42 H new ATOM 0 HA VAL A 42 17.429 -7.786 50.226 1.00 16.13 H new ATOM 0 HB VAL A 42 19.276 -7.504 48.127 1.00 16.93 H new ATOM 0 HG11 VAL A 42 19.337 -5.211 48.689 1.00 13.89 H new ATOM 0 HG12 VAL A 42 17.877 -5.619 48.229 1.00 13.89 H new ATOM 0 HG13 VAL A 42 18.202 -5.448 49.769 1.00 13.89 H new ATOM 0 HG21 VAL A 42 20.819 -6.885 49.815 1.00 13.67 H new ATOM 0 HG22 VAL A 42 19.720 -7.174 50.919 1.00 13.67 H new ATOM 0 HG23 VAL A 42 20.313 -8.366 50.061 1.00 13.67 H new ATOM 357 N ALA A 43 16.795 -8.354 47.109 1.00 14.17 N ATOM 358 CA ALA A 43 15.729 -8.545 46.138 1.00 17.07 C ATOM 359 C ALA A 43 14.876 -7.298 45.856 1.00 15.51 C ATOM 360 O ALA A 43 13.646 -7.326 45.982 1.00 15.99 O ATOM 361 CB ALA A 43 14.841 -9.735 46.554 1.00 13.10 C ATOM 0 H ALA A 43 17.577 -8.547 46.809 1.00 14.17 H new ATOM 0 HA ALA A 43 16.173 -8.736 45.297 1.00 17.07 H new ATOM 0 HB1 ALA A 43 14.134 -9.855 45.901 1.00 13.10 H new ATOM 0 HB2 ALA A 43 15.379 -10.541 46.598 1.00 13.10 H new ATOM 0 HB3 ALA A 43 14.451 -9.559 47.424 1.00 13.10 H new ATOM 362 N LEU A 44 15.528 -6.203 45.485 1.00 14.59 N ATOM 363 CA LEU A 44 14.806 -5.009 45.074 1.00 16.51 C ATOM 364 C LEU A 44 15.245 -4.622 43.681 1.00 16.89 C ATOM 365 O LEU A 44 16.162 -3.815 43.505 1.00 14.74 O ATOM 366 CB LEU A 44 15.064 -3.869 46.058 1.00 15.33 C ATOM 367 CG LEU A 44 14.424 -4.174 47.414 1.00 16.44 C ATOM 368 CD1 LEU A 44 15.022 -3.310 48.523 1.00 14.28 C ATOM 369 CD2 LEU A 44 12.894 -3.998 47.324 1.00 15.84 C ATOM 0 H LEU A 44 16.385 -6.132 45.464 1.00 14.59 H new ATOM 0 HA LEU A 44 13.853 -5.190 45.069 1.00 16.51 H new ATOM 0 HB2 LEU A 44 16.019 -3.739 46.167 1.00 15.33 H new ATOM 0 HB3 LEU A 44 14.704 -3.041 45.703 1.00 15.33 H new ATOM 0 HG LEU A 44 14.615 -5.097 47.644 1.00 16.44 H new ATOM 0 HD11 LEU A 44 14.596 -3.527 49.367 1.00 14.28 H new ATOM 0 HD12 LEU A 44 15.975 -3.481 48.588 1.00 14.28 H new ATOM 0 HD13 LEU A 44 14.875 -2.373 48.318 1.00 14.28 H new ATOM 0 HD21 LEU A 44 12.494 -4.193 48.186 1.00 15.84 H new ATOM 0 HD22 LEU A 44 12.687 -3.085 47.071 1.00 15.84 H new ATOM 0 HD23 LEU A 44 12.537 -4.606 46.658 1.00 15.84 H new ATOM 370 N GLU A 45 14.580 -5.199 42.690 1.00 16.55 N ATOM 371 CA GLU A 45 15.035 -5.095 41.314 1.00 18.59 C ATOM 372 C GLU A 45 15.030 -3.668 40.785 1.00 20.09 C ATOM 373 O GLU A 45 15.916 -3.294 40.017 1.00 18.51 O ATOM 374 CB GLU A 45 14.209 -5.994 40.378 1.00 25.20 C ATOM 375 CG GLU A 45 14.764 -6.002 38.951 1.00 28.96 C ATOM 376 CD GLU A 45 14.070 -6.997 38.032 1.00 44.79 C ATOM 377 OE1 GLU A 45 12.911 -7.379 38.321 1.00 40.93 O ATOM 378 OE2 GLU A 45 14.692 -7.397 37.019 1.00 50.81 O ATOM 0 H GLU A 45 13.860 -5.657 42.795 1.00 16.55 H new ATOM 0 HA GLU A 45 15.956 -5.399 41.324 1.00 18.59 H new ATOM 0 HB2 GLU A 45 14.200 -6.900 40.726 1.00 25.20 H new ATOM 0 HB3 GLU A 45 13.289 -5.686 40.364 1.00 25.20 H new ATOM 0 HG2 GLU A 45 14.679 -5.112 38.574 1.00 28.96 H new ATOM 0 HG3 GLU A 45 15.711 -6.208 38.982 1.00 28.96 H new ATOM 379 N GLY A 46 14.034 -2.877 41.179 1.00 16.73 N ATOM 380 CA GLY A 46 13.991 -1.486 40.757 1.00 20.35 C ATOM 381 C GLY A 46 15.203 -0.708 41.256 1.00 17.72 C ATOM 382 O GLY A 46 15.731 0.173 40.567 1.00 16.92 O ATOM 0 H GLY A 46 13.383 -3.125 41.684 1.00 16.73 H new ATOM 0 HA2 GLY A 46 13.954 -1.442 39.789 1.00 20.35 H new ATOM 0 HA3 GLY A 46 13.180 -1.071 41.091 1.00 20.35 H new ATOM 383 N VAL A 47 15.643 -1.032 42.465 1.00 14.33 N ATOM 384 CA VAL A 47 16.770 -0.347 43.069 1.00 16.13 C ATOM 385 C VAL A 47 18.055 -0.795 42.369 1.00 17.77 C ATOM 386 O VAL A 47 18.922 0.021 42.039 1.00 16.40 O ATOM 387 CB VAL A 47 16.848 -0.590 44.600 1.00 18.34 C ATOM 388 CG1 VAL A 47 17.963 0.260 45.221 1.00 19.42 C ATOM 389 CG2 VAL A 47 15.496 -0.271 45.276 1.00 16.61 C ATOM 0 H VAL A 47 15.298 -1.650 42.953 1.00 14.33 H new ATOM 0 HA VAL A 47 16.653 0.609 42.952 1.00 16.13 H new ATOM 0 HB VAL A 47 17.051 -1.527 44.747 1.00 18.34 H new ATOM 0 HG11 VAL A 47 18.000 0.098 46.177 1.00 19.42 H new ATOM 0 HG12 VAL A 47 18.813 0.021 44.820 1.00 19.42 H new ATOM 0 HG13 VAL A 47 17.782 1.199 45.060 1.00 19.42 H new ATOM 0 HG21 VAL A 47 15.566 -0.429 46.230 1.00 16.61 H new ATOM 0 HG22 VAL A 47 15.267 0.658 45.119 1.00 16.61 H new ATOM 0 HG23 VAL A 47 14.805 -0.842 44.904 1.00 16.61 H new ATOM 390 N CYS A 48 18.162 -2.096 42.126 1.00 16.00 N ATOM 391 CA CYS A 48 19.282 -2.629 41.375 1.00 16.05 C ATOM 392 C CYS A 48 19.412 -1.923 40.032 1.00 17.01 C ATOM 393 O CYS A 48 20.500 -1.489 39.654 1.00 16.74 O ATOM 394 CB CYS A 48 19.117 -4.138 41.149 1.00 16.91 C ATOM 395 SG CYS A 48 20.350 -4.803 40.005 1.00 28.38 S ATOM 0 H CYS A 48 17.594 -2.685 42.389 1.00 16.00 H new ATOM 0 HA CYS A 48 20.087 -2.475 41.893 1.00 16.05 H new ATOM 0 HB2 CYS A 48 19.187 -4.599 41.999 1.00 16.91 H new ATOM 0 HB3 CYS A 48 18.229 -4.315 40.802 1.00 16.91 H new ATOM 0 HG CYS A 48 20.016 -4.570 38.876 1.00 28.38 H new ATOM 396 N HIS A 49 18.306 -1.812 39.299 1.00 17.69 N ATOM 397 CA AHIS A 49 18.349 -1.175 37.989 0.53 19.95 C ATOM 398 CA BHIS A 49 18.316 -1.166 37.986 0.47 19.96 C ATOM 399 C HIS A 49 18.743 0.298 38.070 1.00 19.74 C ATOM 400 O HIS A 49 19.529 0.767 37.253 1.00 18.17 O ATOM 401 CB AHIS A 49 17.016 -1.319 37.257 0.53 21.80 C ATOM 402 CB BHIS A 49 16.937 -1.261 37.320 0.47 21.80 C ATOM 403 CG AHIS A 49 17.054 -0.819 35.848 0.53 24.29 C ATOM 404 CG BHIS A 49 16.607 -2.624 36.793 0.47 24.26 C ATOM 405 ND1AHIS A 49 17.611 -1.546 34.817 0.53 28.21 N ATOM 406 ND1BHIS A 49 17.574 -3.533 36.421 0.47 26.58 N ATOM 407 CD2AHIS A 49 16.625 0.343 35.301 0.53 25.07 C ATOM 408 CD2BHIS A 49 15.417 -3.233 36.575 0.47 28.67 C ATOM 409 CE1AHIS A 49 17.512 -0.857 33.694 0.53 28.86 C ATOM 410 CE1BHIS A 49 16.995 -4.642 35.998 0.47 28.87 C ATOM 411 NE2AHIS A 49 16.918 0.292 33.960 0.53 29.66 N ATOM 412 NE2BHIS A 49 15.686 -4.487 36.081 0.47 28.11 N ATOM 0 H AHIS A 49 17.531 -2.096 39.540 0.53 17.69 H new ATOM 0 H BHIS A 49 17.536 -2.105 39.545 0.47 17.69 H new ATOM 0 HA AHIS A 49 19.036 -1.637 37.484 0.53 19.96 H new ATOM 0 HA BHIS A 49 18.968 -1.640 37.446 0.47 19.96 H new ATOM 0 HB2AHIS A 49 16.756 -2.253 37.254 0.53 21.80 H new ATOM 0 HB2BHIS A 49 16.259 -1.000 37.963 0.47 21.80 H new ATOM 0 HB3AHIS A 49 16.332 -0.835 37.746 0.53 21.80 H new ATOM 0 HB3BHIS A 49 16.896 -0.624 36.590 0.47 21.80 H new ATOM 0 HD2AHIS A 49 16.210 1.044 35.749 0.53 28.67 H new ATOM 0 HD2BHIS A 49 14.575 -2.870 36.731 0.47 28.67 H new ATOM 0 HE1AHIS A 49 17.810 -1.134 32.858 0.53 28.87 H new ATOM 0 HE1BHIS A 49 17.434 -5.403 35.693 0.47 28.87 H new ATOM 0 HE2AHIS A 49 16.743 0.909 33.387 0.53 28.11 H new ATOM 0 HE2BHIS A 49 15.098 -5.075 35.862 0.47 28.11 H new ATOM 413 N PHE A 50 18.198 1.019 39.051 1.00 16.54 N ATOM 414 CA PHE A 50 18.530 2.428 39.262 1.00 16.35 C ATOM 415 C PHE A 50 20.045 2.626 39.394 1.00 18.92 C ATOM 416 O PHE A 50 20.623 3.521 38.775 1.00 17.29 O ATOM 417 CB PHE A 50 17.798 2.970 40.505 1.00 18.56 C ATOM 418 CG PHE A 50 18.140 4.407 40.862 1.00 18.71 C ATOM 419 CD1 PHE A 50 17.538 5.471 40.201 1.00 23.01 C ATOM 420 CD2 PHE A 50 19.024 4.685 41.892 1.00 17.81 C ATOM 421 CE1 PHE A 50 17.838 6.789 40.541 1.00 20.93 C ATOM 422 CE2 PHE A 50 19.328 6.003 42.239 1.00 19.56 C ATOM 423 CZ PHE A 50 18.728 7.052 41.559 1.00 22.04 C ATOM 0 H PHE A 50 17.626 0.705 39.612 1.00 16.54 H new ATOM 0 HA PHE A 50 18.233 2.928 38.486 1.00 16.35 H new ATOM 0 HB2 PHE A 50 16.842 2.904 40.357 1.00 18.56 H new ATOM 0 HB3 PHE A 50 18.007 2.402 41.263 1.00 18.56 H new ATOM 0 HD1 PHE A 50 16.926 5.301 39.522 1.00 23.01 H new ATOM 0 HD2 PHE A 50 19.420 3.985 42.358 1.00 17.81 H new ATOM 0 HE1 PHE A 50 17.437 7.491 40.081 1.00 20.93 H new ATOM 0 HE2 PHE A 50 19.932 6.177 42.925 1.00 19.56 H new ATOM 0 HZ PHE A 50 18.926 7.931 41.790 1.00 22.04 H new ATOM 424 N PHE A 51 20.693 1.782 40.186 1.00 15.11 N ATOM 425 CA PHE A 51 22.130 1.933 40.405 1.00 15.75 C ATOM 426 C PHE A 51 22.985 1.422 39.235 1.00 16.18 C ATOM 427 O PHE A 51 24.028 1.998 38.918 1.00 15.22 O ATOM 428 CB PHE A 51 22.536 1.289 41.739 1.00 12.82 C ATOM 429 CG PHE A 51 22.086 2.079 42.947 1.00 17.34 C ATOM 430 CD1 PHE A 51 22.408 3.421 43.065 1.00 16.20 C ATOM 431 CD2 PHE A 51 21.326 1.489 43.949 1.00 14.57 C ATOM 432 CE1 PHE A 51 21.999 4.159 44.172 1.00 16.73 C ATOM 433 CE2 PHE A 51 20.913 2.219 45.054 1.00 17.59 C ATOM 434 CZ PHE A 51 21.248 3.559 45.164 1.00 15.85 C ATOM 0 H PHE A 51 20.328 1.123 40.602 1.00 15.11 H new ATOM 0 HA PHE A 51 22.311 2.885 40.453 1.00 15.75 H new ATOM 0 HB2 PHE A 51 22.161 0.396 41.787 1.00 12.82 H new ATOM 0 HB3 PHE A 51 23.501 1.193 41.764 1.00 12.82 H new ATOM 0 HD1 PHE A 51 22.904 3.834 42.396 1.00 16.20 H new ATOM 0 HD2 PHE A 51 21.091 0.592 43.878 1.00 14.57 H new ATOM 0 HE1 PHE A 51 22.231 5.057 44.244 1.00 16.73 H new ATOM 0 HE2 PHE A 51 20.411 1.809 45.721 1.00 17.59 H new ATOM 0 HZ PHE A 51 20.969 4.052 45.902 1.00 15.85 H new ATOM 435 N ARG A 52 22.545 0.353 38.585 1.00 16.84 N ATOM 436 CA ARG A 52 23.259 -0.151 37.410 1.00 19.12 C ATOM 437 C ARG A 52 23.275 0.903 36.328 1.00 18.81 C ATOM 438 O ARG A 52 24.267 1.068 35.624 1.00 18.00 O ATOM 439 CB ARG A 52 22.595 -1.410 36.854 1.00 20.77 C ATOM 440 CG ARG A 52 22.605 -2.590 37.812 1.00 32.46 C ATOM 441 CD ARG A 52 23.977 -3.239 37.908 1.00 33.20 C ATOM 442 NE ARG A 52 24.494 -3.649 36.602 1.00 34.63 N ATOM 443 CZ ARG A 52 24.089 -4.728 35.936 1.00 39.68 C ATOM 444 NH1 ARG A 52 23.147 -5.514 36.444 1.00 41.28 N ATOM 445 NH2 ARG A 52 24.627 -5.022 34.755 1.00 34.82 N ATOM 0 H ARG A 52 21.843 -0.094 38.802 1.00 16.84 H new ATOM 0 HA ARG A 52 24.164 -0.367 37.686 1.00 19.12 H new ATOM 0 HB2 ARG A 52 21.677 -1.203 36.620 1.00 20.77 H new ATOM 0 HB3 ARG A 52 23.046 -1.667 36.034 1.00 20.77 H new ATOM 0 HG2 ARG A 52 22.327 -2.292 38.692 1.00 32.46 H new ATOM 0 HG3 ARG A 52 21.957 -3.249 37.518 1.00 32.46 H new ATOM 0 HD2 ARG A 52 24.598 -2.617 38.318 1.00 33.20 H new ATOM 0 HD3 ARG A 52 23.926 -4.013 38.490 1.00 33.20 H new ATOM 0 HE ARG A 52 25.101 -3.159 36.240 1.00 34.63 H new ATOM 0 HH11 ARG A 52 22.796 -5.327 37.206 1.00 41.28 H new ATOM 0 HH12 ARG A 52 22.888 -6.210 36.011 1.00 41.28 H new ATOM 0 HH21 ARG A 52 25.236 -4.515 34.422 1.00 34.82 H new ATOM 0 HH22 ARG A 52 24.365 -5.719 34.325 1.00 34.82 H new ATOM 446 N GLU A 53 22.160 1.604 36.178 1.00 18.65 N ATOM 447 CA GLU A 53 22.081 2.676 35.181 1.00 21.60 C ATOM 448 C GLU A 53 23.039 3.811 35.516 1.00 17.39 C ATOM 449 O GLU A 53 23.657 4.395 34.632 1.00 18.70 O ATOM 450 CB GLU A 53 20.659 3.202 35.097 1.00 20.05 C ATOM 451 CG GLU A 53 19.716 2.221 34.446 1.00 30.21 C ATOM 452 CD GLU A 53 20.142 1.896 33.024 1.00 39.99 C ATOM 453 OE1 GLU A 53 20.451 2.849 32.268 1.00 45.64 O ATOM 454 OE2 GLU A 53 20.185 0.695 32.671 1.00 42.84 O ATOM 0 H GLU A 53 21.442 1.481 36.635 1.00 18.65 H new ATOM 0 HA GLU A 53 22.339 2.309 34.321 1.00 21.60 H new ATOM 0 HB2 GLU A 53 20.341 3.408 35.990 1.00 20.05 H new ATOM 0 HB3 GLU A 53 20.654 4.032 34.595 1.00 20.05 H new ATOM 0 HG2 GLU A 53 19.684 1.405 34.970 1.00 30.21 H new ATOM 0 HG3 GLU A 53 18.819 2.589 34.440 1.00 30.21 H new ATOM 455 N LEU A 54 23.162 4.122 36.801 1.00 16.74 N ATOM 456 CA LEU A 54 24.087 5.176 37.216 1.00 18.05 C ATOM 457 C LEU A 54 25.527 4.751 36.986 1.00 15.21 C ATOM 458 O LEU A 54 26.369 5.575 36.646 1.00 15.11 O ATOM 459 CB LEU A 54 23.876 5.553 38.682 1.00 16.77 C ATOM 460 CG LEU A 54 22.606 6.342 38.963 1.00 20.51 C ATOM 461 CD1 LEU A 54 22.392 6.513 40.444 1.00 18.85 C ATOM 462 CD2 LEU A 54 22.658 7.683 38.244 1.00 27.61 C ATOM 0 H LEU A 54 22.729 3.744 37.440 1.00 16.74 H new ATOM 0 HA LEU A 54 23.903 5.958 36.672 1.00 18.05 H new ATOM 0 HB2 LEU A 54 23.861 4.741 39.212 1.00 16.77 H new ATOM 0 HB3 LEU A 54 24.638 6.073 38.982 1.00 16.77 H new ATOM 0 HG LEU A 54 21.846 5.845 38.622 1.00 20.51 H new ATOM 0 HD11 LEU A 54 21.578 7.018 40.597 1.00 18.85 H new ATOM 0 HD12 LEU A 54 22.315 5.641 40.863 1.00 18.85 H new ATOM 0 HD13 LEU A 54 23.145 6.990 40.827 1.00 18.85 H new ATOM 0 HD21 LEU A 54 21.846 8.180 38.427 1.00 27.61 H new ATOM 0 HD22 LEU A 54 23.424 8.189 38.557 1.00 27.61 H new ATOM 0 HD23 LEU A 54 22.737 7.535 37.289 1.00 27.61 H new ATOM 463 N ALA A 55 25.810 3.461 37.163 1.00 15.29 N ATOM 464 CA ALA A 55 27.153 2.941 36.915 1.00 14.93 C ATOM 465 C ALA A 55 27.539 3.206 35.468 1.00 18.44 C ATOM 466 O ALA A 55 28.652 3.626 35.168 1.00 17.11 O ATOM 467 CB ALA A 55 27.227 1.437 37.228 1.00 15.45 C ATOM 0 H ALA A 55 25.240 2.873 37.425 1.00 15.29 H new ATOM 0 HA ALA A 55 27.779 3.395 37.501 1.00 14.93 H new ATOM 0 HB1 ALA A 55 28.126 1.114 37.056 1.00 15.45 H new ATOM 0 HB2 ALA A 55 27.003 1.289 38.160 1.00 15.45 H new ATOM 0 HB3 ALA A 55 26.599 0.958 36.665 1.00 15.45 H new ATOM 468 N GLU A 56 26.595 2.971 34.570 1.00 16.24 N ATOM 469 CA GLU A 56 26.819 3.221 33.155 1.00 19.23 C ATOM 470 C GLU A 56 27.007 4.717 32.870 1.00 17.85 C ATOM 471 O GLU A 56 27.911 5.093 32.130 1.00 18.67 O ATOM 472 CB GLU A 56 25.667 2.638 32.340 1.00 20.88 C ATOM 473 CG GLU A 56 25.551 3.148 30.913 1.00 31.11 C ATOM 474 CD GLU A 56 24.274 2.643 30.254 1.00 39.88 C ATOM 475 OE1 GLU A 56 23.701 3.365 29.411 1.00 45.70 O ATOM 476 OE2 GLU A 56 23.837 1.524 30.602 1.00 41.30 O ATOM 0 H GLU A 56 25.814 2.665 34.760 1.00 16.24 H new ATOM 0 HA GLU A 56 27.641 2.780 32.890 1.00 19.23 H new ATOM 0 HB2 GLU A 56 25.765 1.673 32.315 1.00 20.88 H new ATOM 0 HB3 GLU A 56 24.836 2.827 32.803 1.00 20.88 H new ATOM 0 HG2 GLU A 56 25.558 4.118 30.911 1.00 31.11 H new ATOM 0 HG3 GLU A 56 26.321 2.858 30.399 1.00 31.11 H new ATOM 477 N GLU A 57 26.165 5.564 33.464 1.00 17.22 N ATOM 478 CA GLU A 57 26.326 7.018 33.324 1.00 20.48 C ATOM 479 C GLU A 57 27.693 7.542 33.783 1.00 18.89 C ATOM 480 O GLU A 57 28.281 8.403 33.123 1.00 17.04 O ATOM 481 CB GLU A 57 25.204 7.785 34.040 1.00 21.25 C ATOM 482 CG GLU A 57 23.815 7.569 33.430 1.00 27.22 C ATOM 483 CD GLU A 57 23.803 7.789 31.917 1.00 36.15 C ATOM 484 OE1 GLU A 57 23.958 8.952 31.483 1.00 41.75 O ATOM 485 OE2 GLU A 57 23.647 6.797 31.160 1.00 40.01 O ATOM 0 H GLU A 57 25.498 5.322 33.950 1.00 17.22 H new ATOM 0 HA GLU A 57 26.269 7.183 32.370 1.00 20.48 H new ATOM 0 HB2 GLU A 57 25.184 7.515 34.972 1.00 21.25 H new ATOM 0 HB3 GLU A 57 25.411 8.733 34.023 1.00 21.25 H new ATOM 0 HG2 GLU A 57 23.515 6.668 33.626 1.00 27.22 H new ATOM 0 HG3 GLU A 57 23.183 8.175 33.848 1.00 27.22 H new ATOM 486 N LYS A 58 28.193 7.036 34.908 1.00 15.59 N ATOM 487 CA LYS A 58 29.491 7.475 35.417 1.00 16.16 C ATOM 488 C LYS A 58 30.636 6.981 34.533 1.00 16.23 C ATOM 489 O LYS A 58 31.591 7.706 34.285 1.00 15.86 O ATOM 490 CB LYS A 58 29.700 7.043 36.873 1.00 15.75 C ATOM 491 CG LYS A 58 28.701 7.648 37.847 1.00 16.17 C ATOM 492 CD LYS A 58 28.638 9.169 37.682 1.00 18.87 C ATOM 493 CE LYS A 58 27.470 9.748 38.441 1.00 23.87 C ATOM 494 NZ LYS A 58 27.257 11.204 38.182 1.00 19.73 N ATOM 0 H LYS A 58 27.800 6.441 35.389 1.00 15.59 H new ATOM 0 HA LYS A 58 29.494 8.445 35.392 1.00 16.16 H new ATOM 0 HB2 LYS A 58 29.644 6.076 36.925 1.00 15.75 H new ATOM 0 HB3 LYS A 58 30.597 7.290 37.148 1.00 15.75 H new ATOM 0 HG2 LYS A 58 27.823 7.265 37.696 1.00 16.17 H new ATOM 0 HG3 LYS A 58 28.955 7.427 38.757 1.00 16.17 H new ATOM 0 HD2 LYS A 58 29.464 9.567 38.000 1.00 18.87 H new ATOM 0 HD3 LYS A 58 28.559 9.393 36.741 1.00 18.87 H new ATOM 0 HE2 LYS A 58 26.665 9.263 38.202 1.00 23.87 H new ATOM 0 HE3 LYS A 58 27.611 9.613 39.391 1.00 23.87 H new ATOM 0 HZ1 LYS A 58 27.011 11.607 38.936 1.00 19.73 H new ATOM 0 HZ2 LYS A 58 28.014 11.567 37.885 1.00 19.73 H new ATOM 0 HZ3 LYS A 58 26.619 11.307 37.570 1.00 19.73 H new ATOM 495 N ARG A 59 30.541 5.746 34.065 1.00 13.92 N ATOM 496 CA AARG A 59 31.540 5.232 33.138 0.52 18.63 C ATOM 497 CA BARG A 59 31.508 5.202 33.124 0.48 18.64 C ATOM 498 C ARG A 59 31.563 6.080 31.870 1.00 20.34 C ATOM 499 O ARG A 59 32.640 6.407 31.349 1.00 19.17 O ATOM 500 CB AARG A 59 31.279 3.766 32.795 0.52 20.08 C ATOM 501 CB BARG A 59 31.106 3.763 32.785 0.48 20.13 C ATOM 502 CG AARG A 59 32.233 3.218 31.753 0.52 23.18 C ATOM 503 CG BARG A 59 31.776 3.152 31.580 0.48 23.15 C ATOM 504 CD AARG A 59 31.820 1.839 31.274 0.52 24.17 C ATOM 505 CD BARG A 59 31.475 1.656 31.493 0.48 24.09 C ATOM 506 NE AARG A 59 30.441 1.810 30.793 0.52 25.25 N ATOM 507 NE BARG A 59 30.105 1.348 31.072 0.48 24.90 N ATOM 508 CZ AARG A 59 30.050 2.253 29.603 0.52 25.76 C ATOM 509 CZ BARG A 59 29.191 0.762 31.842 0.48 24.49 C ATOM 510 NH1AARG A 59 30.931 2.777 28.760 0.52 23.83 N ATOM 511 NH1BARG A 59 29.487 0.420 33.089 0.48 25.73 N ATOM 512 NH2AARG A 59 28.772 2.174 29.256 0.52 27.68 N ATOM 513 NH2BARG A 59 27.978 0.513 31.368 0.48 25.48 N ATOM 0 H AARG A 59 29.914 5.193 34.268 0.52 13.92 H new ATOM 0 H BARG A 59 29.914 5.199 34.283 0.48 13.92 H new ATOM 0 HA AARG A 59 32.407 5.284 33.570 0.52 18.64 H new ATOM 0 HA BARG A 59 32.395 5.194 33.515 0.48 18.64 H new ATOM 0 HB2AARG A 59 31.350 3.233 33.602 0.52 20.13 H new ATOM 0 HB2BARG A 59 31.295 3.204 33.555 0.48 20.13 H new ATOM 0 HB3AARG A 59 30.369 3.672 32.473 0.52 20.13 H new ATOM 0 HB3BARG A 59 30.146 3.739 32.645 0.48 20.13 H new ATOM 0 HG2AARG A 59 32.269 3.825 30.997 0.52 23.15 H new ATOM 0 HG2BARG A 59 31.469 3.596 30.774 0.48 23.15 H new ATOM 0 HG3AARG A 59 33.128 3.176 32.125 0.52 23.15 H new ATOM 0 HG3BARG A 59 32.735 3.291 31.632 0.48 23.15 H new ATOM 0 HD2AARG A 59 32.415 1.554 30.563 0.52 24.09 H new ATOM 0 HD2BARG A 59 32.095 1.246 30.870 0.48 24.09 H new ATOM 0 HD3AARG A 59 31.921 1.203 31.999 0.52 24.09 H new ATOM 0 HD3BARG A 59 31.636 1.252 32.360 0.48 24.09 H new ATOM 0 HE AARG A 59 29.841 1.484 31.316 0.52 24.90 H new ATOM 0 HE BARG A 59 29.876 1.561 30.271 0.48 24.90 H new ATOM 0 HH11AARG A 59 31.760 2.831 28.983 0.52 25.73 H new ATOM 0 HH12AARG A 59 30.673 3.062 27.991 0.52 25.73 H new ATOM 0 HH21AARG A 59 28.199 1.837 29.801 0.52 25.48 H new ATOM 0 HH21BARG A 59 27.779 0.730 30.560 0.48 25.48 H new ATOM 0 HH22AARG A 59 28.517 2.460 28.486 0.52 25.48 H new ATOM 0 HH22BARG A 59 27.390 0.134 31.869 0.48 25.48 H new ATOM 514 N GLU A 60 30.388 6.466 31.391 1.00 17.61 N ATOM 515 CA GLU A 60 30.299 7.311 30.205 1.00 17.73 C ATOM 516 C GLU A 60 30.888 8.698 30.426 1.00 17.65 C ATOM 517 O GLU A 60 31.534 9.241 29.530 1.00 17.78 O ATOM 518 CB GLU A 60 28.854 7.405 29.713 1.00 19.81 C ATOM 519 CG GLU A 60 28.420 6.159 28.988 1.00 23.92 C ATOM 520 CD GLU A 60 26.926 6.065 28.852 1.00 32.19 C ATOM 521 OE1 GLU A 60 26.234 7.019 29.275 1.00 31.84 O ATOM 522 OE2 GLU A 60 26.450 5.036 28.327 1.00 37.74 O ATOM 0 H GLU A 60 29.630 6.251 31.736 1.00 17.61 H new ATOM 0 HA GLU A 60 30.836 6.887 29.518 1.00 17.73 H new ATOM 0 HB2 GLU A 60 28.266 7.559 30.469 1.00 19.81 H new ATOM 0 HB3 GLU A 60 28.764 8.169 29.123 1.00 19.81 H new ATOM 0 HG2 GLU A 60 28.824 6.144 28.106 1.00 23.92 H new ATOM 0 HG3 GLU A 60 28.748 5.380 29.464 1.00 23.92 H new ATOM 523 N GLY A 61 30.660 9.270 31.607 1.00 16.63 N ATOM 524 CA GLY A 61 31.304 10.517 31.997 1.00 16.96 C ATOM 525 C GLY A 61 32.830 10.440 31.971 1.00 17.57 C ATOM 526 O GLY A 61 33.499 11.337 31.451 1.00 15.86 O ATOM 0 H GLY A 61 30.129 8.946 32.201 1.00 16.63 H new ATOM 0 HA2 GLY A 61 31.012 11.225 31.402 1.00 16.96 H new ATOM 0 HA3 GLY A 61 31.013 10.759 32.890 1.00 16.96 H new ATOM 527 N ALA A 62 33.390 9.375 32.543 1.00 16.66 N ATOM 528 CA ALA A 62 34.839 9.162 32.500 1.00 15.50 C ATOM 529 C ALA A 62 35.366 9.142 31.066 1.00 16.08 C ATOM 530 O ALA A 62 36.390 9.756 30.755 1.00 16.02 O ATOM 531 CB ALA A 62 35.213 7.870 33.222 1.00 15.65 C ATOM 0 H ALA A 62 32.951 8.765 32.960 1.00 16.66 H new ATOM 0 HA ALA A 62 35.257 9.909 32.956 1.00 15.50 H new ATOM 0 HB1 ALA A 62 36.174 7.744 33.184 1.00 15.65 H new ATOM 0 HB2 ALA A 62 34.931 7.923 34.148 1.00 15.65 H new ATOM 0 HB3 ALA A 62 34.772 7.120 32.793 1.00 15.65 H new ATOM 532 N GLU A 63 34.661 8.439 30.186 1.00 13.95 N ATOM 533 CA GLU A 63 35.081 8.339 28.793 1.00 16.45 C ATOM 534 C GLU A 63 34.988 9.673 28.044 1.00 15.72 C ATOM 535 O GLU A 63 35.814 9.965 27.186 1.00 17.16 O ATOM 536 CB GLU A 63 34.284 7.238 28.091 1.00 18.97 C ATOM 537 CG GLU A 63 34.664 5.850 28.623 1.00 21.25 C ATOM 538 CD GLU A 63 33.678 4.766 28.248 1.00 30.24 C ATOM 539 OE1 GLU A 63 32.671 5.073 27.571 1.00 34.65 O ATOM 540 OE2 GLU A 63 33.907 3.605 28.649 1.00 29.08 O ATOM 0 H GLU A 63 33.938 8.013 30.375 1.00 13.95 H new ATOM 0 HA GLU A 63 36.022 8.102 28.785 1.00 16.45 H new ATOM 0 HB2 GLU A 63 33.335 7.389 28.223 1.00 18.97 H new ATOM 0 HB3 GLU A 63 34.447 7.276 27.136 1.00 18.97 H new ATOM 0 HG2 GLU A 63 35.541 5.611 28.283 1.00 21.25 H new ATOM 0 HG3 GLU A 63 34.736 5.891 29.589 1.00 21.25 H new ATOM 541 N ARG A 64 33.994 10.484 28.385 1.00 18.19 N ATOM 542 CA ARG A 64 33.863 11.807 27.790 1.00 19.37 C ATOM 543 C ARG A 64 35.037 12.706 28.203 1.00 18.87 C ATOM 544 O ARG A 64 35.543 13.498 27.405 1.00 15.89 O ATOM 545 CB ARG A 64 32.534 12.443 28.200 1.00 22.95 C ATOM 546 CG ARG A 64 32.250 13.776 27.539 1.00 36.51 C ATOM 547 CD ARG A 64 30.863 14.303 27.902 1.00 37.86 C ATOM 548 NE ARG A 64 29.818 13.317 27.629 1.00 46.50 N ATOM 549 CZ ARG A 64 29.220 13.173 26.450 1.00 50.27 C ATOM 550 NH1 ARG A 64 29.571 13.950 25.431 1.00 50.22 N ATOM 551 NH2 ARG A 64 28.278 12.251 26.287 1.00 53.31 N ATOM 0 H ARG A 64 33.385 10.287 28.959 1.00 18.19 H new ATOM 0 HA ARG A 64 33.878 11.712 26.825 1.00 19.37 H new ATOM 0 HB2 ARG A 64 31.814 11.829 27.987 1.00 22.95 H new ATOM 0 HB3 ARG A 64 32.529 12.564 29.162 1.00 22.95 H new ATOM 0 HG2 ARG A 64 32.922 14.421 27.809 1.00 36.51 H new ATOM 0 HG3 ARG A 64 32.318 13.681 26.576 1.00 36.51 H new ATOM 0 HD2 ARG A 64 30.844 14.543 28.842 1.00 37.86 H new ATOM 0 HD3 ARG A 64 30.683 15.113 27.399 1.00 37.86 H new ATOM 0 HE ARG A 64 29.575 12.798 28.271 1.00 46.50 H new ATOM 0 HH11 ARG A 64 30.184 14.544 25.535 1.00 50.22 H new ATOM 0 HH12 ARG A 64 29.185 13.858 24.668 1.00 50.22 H new ATOM 0 HH21 ARG A 64 28.053 11.745 26.945 1.00 53.31 H new ATOM 0 HH22 ARG A 64 27.893 12.160 25.523 1.00 53.31 H new ATOM 552 N LEU A 65 35.457 12.575 29.459 1.00 16.10 N ATOM 553 CA LEU A 65 36.608 13.303 29.973 1.00 15.59 C ATOM 554 C LEU A 65 37.896 12.848 29.288 1.00 15.68 C ATOM 555 O LEU A 65 38.741 13.665 28.908 1.00 15.69 O ATOM 556 CB LEU A 65 36.727 13.114 31.489 1.00 14.72 C ATOM 557 CG LEU A 65 35.694 13.832 32.361 1.00 15.54 C ATOM 558 CD1 LEU A 65 35.658 13.189 33.763 1.00 17.17 C ATOM 559 CD2 LEU A 65 35.997 15.339 32.456 1.00 17.86 C ATOM 0 H LEU A 65 35.080 12.060 30.036 1.00 16.10 H new ATOM 0 HA LEU A 65 36.475 14.244 29.781 1.00 15.59 H new ATOM 0 HB2 LEU A 65 36.675 12.164 31.680 1.00 14.72 H new ATOM 0 HB3 LEU A 65 37.610 13.410 31.762 1.00 14.72 H new ATOM 0 HG LEU A 65 34.821 13.737 31.949 1.00 15.54 H new ATOM 0 HD11 LEU A 65 35.002 13.647 34.312 1.00 17.17 H new ATOM 0 HD12 LEU A 65 35.416 12.253 33.684 1.00 17.17 H new ATOM 0 HD13 LEU A 65 36.533 13.263 34.176 1.00 17.17 H new ATOM 0 HD21 LEU A 65 35.329 15.769 33.013 1.00 17.86 H new ATOM 0 HD22 LEU A 65 36.875 15.469 32.847 1.00 17.86 H new ATOM 0 HD23 LEU A 65 35.978 15.730 31.568 1.00 17.86 H new ATOM 560 N LEU A 66 38.043 11.541 29.140 1.00 13.36 N ATOM 561 CA LEU A 66 39.200 10.977 28.436 1.00 14.85 C ATOM 562 C LEU A 66 39.283 11.463 26.974 1.00 16.12 C ATOM 563 O LEU A 66 40.353 11.784 26.467 1.00 14.59 O ATOM 564 CB LEU A 66 39.174 9.450 28.518 1.00 11.86 C ATOM 565 CG LEU A 66 39.458 8.903 29.927 1.00 15.85 C ATOM 566 CD1 LEU A 66 39.162 7.410 30.013 1.00 16.54 C ATOM 567 CD2 LEU A 66 40.910 9.187 30.326 1.00 14.72 C ATOM 0 H LEU A 66 37.487 10.957 29.438 1.00 13.36 H new ATOM 0 HA LEU A 66 40.002 11.296 28.878 1.00 14.85 H new ATOM 0 HB2 LEU A 66 38.305 9.133 28.225 1.00 11.86 H new ATOM 0 HB3 LEU A 66 39.830 9.089 27.901 1.00 11.86 H new ATOM 0 HG LEU A 66 38.868 9.358 30.549 1.00 15.85 H new ATOM 0 HD11 LEU A 66 39.350 7.094 30.911 1.00 16.54 H new ATOM 0 HD12 LEU A 66 38.228 7.253 29.804 1.00 16.54 H new ATOM 0 HD13 LEU A 66 39.720 6.932 29.379 1.00 16.54 H new ATOM 0 HD21 LEU A 66 41.076 8.837 31.215 1.00 14.72 H new ATOM 0 HD22 LEU A 66 41.509 8.759 29.694 1.00 14.72 H new ATOM 0 HD23 LEU A 66 41.066 10.144 30.321 1.00 14.72 H new ATOM 568 N LYS A 67 38.144 11.514 26.301 1.00 15.33 N ATOM 569 CA LYS A 67 38.103 12.025 24.938 1.00 15.04 C ATOM 570 C LYS A 67 38.566 13.488 24.875 1.00 18.32 C ATOM 571 O LYS A 67 39.358 13.871 24.011 1.00 16.94 O ATOM 572 CB LYS A 67 36.687 11.884 24.392 1.00 18.89 C ATOM 573 CG LYS A 67 36.513 12.430 22.994 1.00 21.62 C ATOM 574 CD LYS A 67 35.084 12.235 22.516 1.00 28.85 C ATOM 575 CE LYS A 67 34.834 12.951 21.194 1.00 33.29 C ATOM 576 NZ LYS A 67 33.456 12.665 20.686 1.00 37.11 N ATOM 0 H LYS A 67 37.384 11.259 26.613 1.00 15.33 H new ATOM 0 HA LYS A 67 38.714 11.506 24.391 1.00 15.04 H new ATOM 0 HB2 LYS A 67 36.440 10.946 24.396 1.00 18.89 H new ATOM 0 HB3 LYS A 67 36.073 12.342 24.987 1.00 18.89 H new ATOM 0 HG2 LYS A 67 36.738 13.373 22.980 1.00 21.62 H new ATOM 0 HG3 LYS A 67 37.125 11.983 22.389 1.00 21.62 H new ATOM 0 HD2 LYS A 67 34.903 11.288 22.411 1.00 28.85 H new ATOM 0 HD3 LYS A 67 34.469 12.569 23.187 1.00 28.85 H new ATOM 0 HE2 LYS A 67 34.947 13.907 21.313 1.00 33.29 H new ATOM 0 HE3 LYS A 67 35.490 12.667 20.539 1.00 33.29 H new ATOM 0 HZ1 LYS A 67 33.329 13.091 19.915 1.00 37.11 H new ATOM 0 HZ2 LYS A 67 33.362 11.789 20.560 1.00 37.11 H new ATOM 0 HZ3 LYS A 67 32.856 12.945 21.281 1.00 37.11 H new ATOM 577 N MET A 68 38.068 14.293 25.804 1.00 15.92 N ATOM 578 CA MET A 68 38.400 15.709 25.875 1.00 18.65 C ATOM 579 C MET A 68 39.879 15.900 26.189 1.00 16.85 C ATOM 580 O MET A 68 40.529 16.756 25.605 1.00 18.54 O ATOM 581 CB MET A 68 37.517 16.407 26.921 1.00 16.62 C ATOM 582 CG MET A 68 37.751 17.922 27.067 1.00 17.81 C ATOM 583 SD MET A 68 39.142 18.283 28.165 1.00 23.56 S ATOM 584 CE MET A 68 38.406 17.969 29.761 1.00 20.12 C ATOM 0 H MET A 68 37.524 14.031 26.416 1.00 15.92 H new ATOM 0 HA MET A 68 38.227 16.114 25.011 1.00 18.65 H new ATOM 0 HB2 MET A 68 36.587 16.258 26.690 1.00 16.62 H new ATOM 0 HB3 MET A 68 37.666 15.986 27.782 1.00 16.62 H new ATOM 0 HG2 MET A 68 37.919 18.309 26.194 1.00 17.81 H new ATOM 0 HG3 MET A 68 36.948 18.342 27.413 1.00 17.81 H new ATOM 0 HE1 MET A 68 38.307 18.805 30.242 1.00 20.12 H new ATOM 0 HE2 MET A 68 37.534 17.561 29.641 1.00 20.12 H new ATOM 0 HE3 MET A 68 38.976 17.370 30.268 1.00 20.12 H new ATOM 585 N GLN A 69 40.407 15.112 27.122 1.00 15.49 N ATOM 586 CA GLN A 69 41.839 15.138 27.419 1.00 15.39 C ATOM 587 C GLN A 69 42.636 15.034 26.109 1.00 15.51 C ATOM 588 O GLN A 69 43.483 15.882 25.825 1.00 14.40 O ATOM 589 CB GLN A 69 42.196 14.016 28.403 1.00 14.51 C ATOM 590 CG GLN A 69 43.658 13.939 28.847 1.00 16.46 C ATOM 591 CD GLN A 69 43.998 14.976 29.905 1.00 16.83 C ATOM 592 OE1 GLN A 69 44.100 16.171 29.614 1.00 19.01 O ATOM 593 NE2 GLN A 69 44.143 14.529 31.140 1.00 16.72 N ATOM 0 H GLN A 69 39.954 14.555 27.595 1.00 15.49 H new ATOM 0 HA GLN A 69 42.073 15.978 27.845 1.00 15.39 H new ATOM 0 HB2 GLN A 69 41.643 14.118 29.194 1.00 14.51 H new ATOM 0 HB3 GLN A 69 41.957 13.168 27.997 1.00 14.51 H new ATOM 0 HG2 GLN A 69 43.841 13.053 29.196 1.00 16.46 H new ATOM 0 HG3 GLN A 69 44.234 14.065 28.077 1.00 16.46 H new ATOM 0 HE21 GLN A 69 44.065 13.689 31.305 1.00 16.72 H new ATOM 0 HE22 GLN A 69 44.316 15.078 31.779 1.00 16.72 H new ATOM 594 N ASN A 70 42.339 14.013 25.306 1.00 14.37 N ATOM 595 CA ASN A 70 43.018 13.809 24.025 1.00 16.23 C ATOM 596 C ASN A 70 42.755 14.925 23.015 1.00 15.77 C ATOM 597 O ASN A 70 43.659 15.308 22.281 1.00 15.69 O ATOM 598 CB ASN A 70 42.674 12.445 23.394 1.00 15.86 C ATOM 599 CG ASN A 70 43.504 11.297 23.969 1.00 17.35 C ATOM 600 OD1 ASN A 70 44.521 11.516 24.626 1.00 19.44 O ATOM 601 ND2 ASN A 70 43.075 10.064 23.701 1.00 14.26 N ATOM 0 H ASN A 70 41.741 13.421 25.487 1.00 14.37 H new ATOM 0 HA ASN A 70 43.964 13.826 24.240 1.00 16.23 H new ATOM 0 HB2 ASN A 70 41.732 12.258 23.532 1.00 15.86 H new ATOM 0 HB3 ASN A 70 42.816 12.492 22.436 1.00 15.86 H new ATOM 0 HD21 ASN A 70 43.514 9.384 23.991 1.00 14.26 H new ATOM 0 HD22 ASN A 70 42.359 9.949 23.238 1.00 14.26 H new ATOM 602 N GLN A 71 41.525 15.430 22.968 1.00 15.78 N ATOM 603 CA GLN A 71 41.188 16.531 22.059 1.00 16.07 C ATOM 604 C GLN A 71 42.063 17.755 22.304 1.00 18.05 C ATOM 605 O GLN A 71 42.445 18.449 21.359 1.00 17.47 O ATOM 606 CB GLN A 71 39.722 16.938 22.203 1.00 18.37 C ATOM 607 CG GLN A 71 38.739 15.969 21.597 1.00 21.46 C ATOM 608 CD GLN A 71 37.305 16.437 21.770 1.00 29.17 C ATOM 609 OE1 GLN A 71 36.892 16.811 22.870 1.00 30.26 O ATOM 610 NE2 GLN A 71 36.545 16.431 20.684 1.00 30.97 N ATOM 0 H GLN A 71 40.870 15.152 23.452 1.00 15.78 H new ATOM 0 HA GLN A 71 41.348 16.203 21.160 1.00 16.07 H new ATOM 0 HB2 GLN A 71 39.518 17.040 23.146 1.00 18.37 H new ATOM 0 HB3 GLN A 71 39.598 17.807 21.790 1.00 18.37 H new ATOM 0 HG2 GLN A 71 38.932 15.861 20.653 1.00 21.46 H new ATOM 0 HG3 GLN A 71 38.847 15.098 22.010 1.00 21.46 H new ATOM 0 HE21 GLN A 71 36.869 16.163 19.934 1.00 30.97 H new ATOM 0 HE22 GLN A 71 35.728 16.695 20.730 1.00 30.97 H new ATOM 611 N ARG A 72 42.372 18.005 23.577 1.00 17.54 N ATOM 612 CA ARG A 72 43.191 19.149 23.995 1.00 16.66 C ATOM 613 C ARG A 72 44.691 18.882 23.977 1.00 18.55 C ATOM 614 O ARG A 72 45.489 19.802 24.160 1.00 19.84 O ATOM 615 CB ARG A 72 42.791 19.618 25.400 1.00 15.42 C ATOM 616 CG ARG A 72 41.347 20.117 25.524 1.00 16.28 C ATOM 617 CD ARG A 72 41.089 21.400 24.723 1.00 17.26 C ATOM 618 NE ARG A 72 41.997 22.498 25.070 1.00 18.50 N ATOM 619 CZ ARG A 72 41.789 23.389 26.036 1.00 17.37 C ATOM 620 NH1 ARG A 72 40.695 23.329 26.790 1.00 16.28 N ATOM 621 NH2 ARG A 72 42.687 24.352 26.251 1.00 18.28 N ATOM 0 H ARG A 72 42.110 17.511 24.230 1.00 17.54 H new ATOM 0 HA ARG A 72 43.015 19.839 23.337 1.00 16.66 H new ATOM 0 HB2 ARG A 72 42.921 18.885 26.021 1.00 15.42 H new ATOM 0 HB3 ARG A 72 43.391 20.330 25.672 1.00 15.42 H new ATOM 0 HG2 ARG A 72 40.742 19.423 25.218 1.00 16.28 H new ATOM 0 HG3 ARG A 72 41.144 20.278 26.459 1.00 16.28 H new ATOM 0 HD2 ARG A 72 41.175 21.205 23.777 1.00 17.26 H new ATOM 0 HD3 ARG A 72 40.174 21.687 24.871 1.00 17.26 H new ATOM 0 HE ARG A 72 42.722 22.572 24.613 1.00 18.50 H new ATOM 0 HH11 ARG A 72 40.113 22.710 26.655 1.00 16.28 H new ATOM 0 HH12 ARG A 72 40.569 23.909 27.412 1.00 16.28 H new ATOM 0 HH21 ARG A 72 43.396 24.395 25.766 1.00 18.28 H new ATOM 0 HH22 ARG A 72 42.557 24.930 26.874 1.00 18.28 H new ATOM 622 N GLY A 73 45.076 17.627 23.787 1.00 14.82 N ATOM 623 CA GLY A 73 46.481 17.274 23.692 1.00 15.21 C ATOM 624 C GLY A 73 47.091 16.974 25.037 1.00 18.75 C ATOM 625 O GLY A 73 48.307 16.950 25.193 1.00 20.59 O ATOM 0 H GLY A 73 44.535 16.963 23.710 1.00 14.82 H new ATOM 0 HA2 GLY A 73 46.579 16.500 23.116 1.00 15.21 H new ATOM 0 HA3 GLY A 73 46.967 18.002 23.274 1.00 15.21 H new ATOM 626 N GLY A 74 46.235 16.736 26.022 1.00 17.42 N ATOM 627 CA GLY A 74 46.690 16.272 27.319 1.00 18.80 C ATOM 628 C GLY A 74 46.915 14.773 27.256 1.00 18.13 C ATOM 629 O GLY A 74 46.581 14.130 26.273 1.00 16.18 O ATOM 0 H GLY A 74 45.384 16.838 25.957 1.00 17.42 H new ATOM 0 HA2 GLY A 74 47.512 16.724 27.567 1.00 18.80 H new ATOM 0 HA3 GLY A 74 46.033 16.484 28.000 1.00 18.80 H new ATOM 630 N ARG A 75 47.502 14.210 28.299 1.00 18.23 N ATOM 631 CA ARG A 75 47.804 12.792 28.271 1.00 17.51 C ATOM 632 C ARG A 75 47.116 12.087 29.423 1.00 18.97 C ATOM 633 O ARG A 75 47.316 12.446 30.584 1.00 17.59 O ATOM 634 CB ARG A 75 49.314 12.569 28.295 1.00 18.82 C ATOM 635 CG ARG A 75 50.004 13.075 27.019 1.00 25.93 C ATOM 636 CD ARG A 75 49.584 12.245 25.789 1.00 22.02 C ATOM 637 NE ARG A 75 50.077 12.799 24.521 1.00 27.82 N ATOM 638 CZ ARG A 75 49.294 13.318 23.578 1.00 25.78 C ATOM 639 NH1 ARG A 75 47.971 13.359 23.748 1.00 21.71 N ATOM 640 NH2 ARG A 75 49.829 13.799 22.458 1.00 31.89 N ATOM 0 H ARG A 75 47.730 14.622 29.019 1.00 18.23 H new ATOM 0 HA ARG A 75 47.465 12.411 27.446 1.00 17.51 H new ATOM 0 HB2 ARG A 75 49.693 13.022 29.065 1.00 18.82 H new ATOM 0 HB3 ARG A 75 49.496 11.623 28.404 1.00 18.82 H new ATOM 0 HG2 ARG A 75 49.779 14.007 26.875 1.00 25.93 H new ATOM 0 HG3 ARG A 75 50.967 13.029 27.129 1.00 25.93 H new ATOM 0 HD2 ARG A 75 49.915 11.339 25.889 1.00 22.02 H new ATOM 0 HD3 ARG A 75 48.616 12.192 25.757 1.00 22.02 H new ATOM 0 HE ARG A 75 50.925 12.787 24.379 1.00 27.82 H new ATOM 0 HH11 ARG A 75 47.620 13.049 24.470 1.00 21.71 H new ATOM 0 HH12 ARG A 75 47.469 13.695 23.136 1.00 21.71 H new ATOM 0 HH21 ARG A 75 50.681 13.775 22.343 1.00 31.89 H new ATOM 0 HH22 ARG A 75 49.323 14.134 21.849 1.00 31.89 H new ATOM 641 N ALA A 76 46.294 11.097 29.084 1.00 16.74 N ATOM 642 CA ALA A 76 45.596 10.304 30.083 1.00 16.18 C ATOM 643 C ALA A 76 46.577 9.535 30.950 1.00 19.51 C ATOM 644 O ALA A 76 47.487 8.876 30.447 1.00 17.48 O ATOM 645 CB ALA A 76 44.613 9.352 29.422 1.00 16.37 C ATOM 0 H ALA A 76 46.128 10.869 28.272 1.00 16.74 H new ATOM 0 HA ALA A 76 45.100 10.912 30.653 1.00 16.18 H new ATOM 0 HB1 ALA A 76 44.158 8.832 30.103 1.00 16.37 H new ATOM 0 HB2 ALA A 76 43.961 9.860 28.914 1.00 16.37 H new ATOM 0 HB3 ALA A 76 45.092 8.755 28.826 1.00 16.37 H new ATOM 646 N LEU A 77 46.386 9.634 32.258 1.00 16.56 N ATOM 647 CA LEU A 77 47.131 8.837 33.211 1.00 17.72 C ATOM 648 C LEU A 77 46.127 8.204 34.155 1.00 17.14 C ATOM 649 O LEU A 77 45.298 8.899 34.746 1.00 18.71 O ATOM 650 CB LEU A 77 48.098 9.708 33.999 1.00 16.73 C ATOM 651 CG LEU A 77 49.238 10.243 33.139 1.00 22.32 C ATOM 652 CD1 LEU A 77 50.057 11.263 33.922 1.00 25.71 C ATOM 653 CD2 LEU A 77 50.105 9.081 32.640 1.00 19.88 C ATOM 0 H LEU A 77 45.817 10.169 32.617 1.00 16.56 H new ATOM 0 HA LEU A 77 47.650 8.160 32.748 1.00 17.72 H new ATOM 0 HB2 LEU A 77 47.614 10.453 34.388 1.00 16.73 H new ATOM 0 HB3 LEU A 77 48.466 9.194 34.734 1.00 16.73 H new ATOM 0 HG LEU A 77 48.872 10.696 32.364 1.00 22.32 H new ATOM 0 HD11 LEU A 77 50.778 11.596 33.365 1.00 25.71 H new ATOM 0 HD12 LEU A 77 49.487 12.002 34.187 1.00 25.71 H new ATOM 0 HD13 LEU A 77 50.428 10.842 34.713 1.00 25.71 H new ATOM 0 HD21 LEU A 77 50.828 9.428 32.094 1.00 19.88 H new ATOM 0 HD22 LEU A 77 50.474 8.603 33.399 1.00 19.88 H new ATOM 0 HD23 LEU A 77 49.562 8.476 32.111 1.00 19.88 H new ATOM 654 N PHE A 78 46.202 6.889 34.286 1.00 17.86 N ATOM 655 CA PHE A 78 45.257 6.169 35.121 1.00 18.11 C ATOM 656 C PHE A 78 45.906 5.758 36.433 1.00 18.87 C ATOM 657 O PHE A 78 47.092 5.439 36.471 1.00 21.96 O ATOM 658 CB PHE A 78 44.739 4.951 34.367 1.00 16.47 C ATOM 659 CG PHE A 78 43.955 5.302 33.126 1.00 16.56 C ATOM 660 CD1 PHE A 78 42.626 5.695 33.218 1.00 20.77 C ATOM 661 CD2 PHE A 78 44.558 5.265 31.876 1.00 18.19 C ATOM 662 CE1 PHE A 78 41.901 6.016 32.080 1.00 20.36 C ATOM 663 CE2 PHE A 78 43.843 5.598 30.725 1.00 18.08 C ATOM 664 CZ PHE A 78 42.514 5.965 30.828 1.00 18.60 C ATOM 0 H PHE A 78 46.792 6.396 33.901 1.00 17.86 H new ATOM 0 HA PHE A 78 44.510 6.751 35.331 1.00 18.11 H new ATOM 0 HB2 PHE A 78 45.490 4.389 34.119 1.00 16.47 H new ATOM 0 HB3 PHE A 78 44.177 4.428 34.959 1.00 16.47 H new ATOM 0 HD1 PHE A 78 42.218 5.743 34.052 1.00 20.77 H new ATOM 0 HD2 PHE A 78 45.451 5.015 31.805 1.00 18.19 H new ATOM 0 HE1 PHE A 78 41.008 6.265 32.152 1.00 20.36 H new ATOM 0 HE2 PHE A 78 44.258 5.573 29.893 1.00 18.08 H new ATOM 0 HZ PHE A 78 42.029 6.178 30.063 1.00 18.60 H new ATOM 665 N GLN A 79 45.120 5.769 37.501 1.00 19.13 N ATOM 666 CA GLN A 79 45.574 5.271 38.791 1.00 21.87 C ATOM 667 C GLN A 79 44.709 4.099 39.243 1.00 18.60 C ATOM 668 O GLN A 79 43.663 3.837 38.657 1.00 18.19 O ATOM 669 CB GLN A 79 45.540 6.395 39.832 1.00 21.85 C ATOM 670 CG GLN A 79 46.322 7.657 39.412 1.00 27.94 C ATOM 671 CD GLN A 79 47.831 7.433 39.303 1.00 36.69 C ATOM 672 OE1 GLN A 79 48.368 6.406 39.751 1.00 35.22 O ATOM 673 NE2 GLN A 79 48.528 8.405 38.708 1.00 38.43 N ATOM 0 H GLN A 79 44.312 6.064 37.499 1.00 19.13 H new ATOM 0 HA GLN A 79 46.488 4.959 38.700 1.00 21.87 H new ATOM 0 HB2 GLN A 79 44.617 6.639 40.002 1.00 21.85 H new ATOM 0 HB3 GLN A 79 45.904 6.062 40.667 1.00 21.85 H new ATOM 0 HG2 GLN A 79 45.986 7.967 38.557 1.00 27.94 H new ATOM 0 HG3 GLN A 79 46.153 8.363 40.056 1.00 27.94 H new ATOM 0 HE21 GLN A 79 48.124 9.103 38.409 1.00 38.43 H new ATOM 0 HE22 GLN A 79 49.381 8.333 38.624 1.00 38.43 H new ATOM 674 N ASP A 80 45.148 3.404 40.290 1.00 23.36 N ATOM 675 CA ASP A 80 44.352 2.333 40.880 1.00 23.41 C ATOM 676 C ASP A 80 42.964 2.852 41.187 1.00 21.59 C ATOM 677 O ASP A 80 42.794 4.009 41.571 1.00 21.92 O ATOM 678 CB ASP A 80 44.979 1.815 42.180 1.00 22.17 C ATOM 679 CG ASP A 80 46.324 1.167 41.977 1.00 24.21 C ATOM 680 OD1 ASP A 80 46.674 0.783 40.845 1.00 21.50 O ATOM 681 OD2 ASP A 80 47.050 1.020 42.980 1.00 27.72 O ATOM 0 H ASP A 80 45.906 3.538 40.674 1.00 23.36 H new ATOM 0 HA ASP A 80 44.315 1.603 40.242 1.00 23.41 H new ATOM 0 HB2 ASP A 80 45.073 2.553 42.802 1.00 22.17 H new ATOM 0 HB3 ASP A 80 44.377 1.174 42.589 1.00 22.17 H new ATOM 682 N LEU A 81 41.960 2.004 41.009 1.00 21.67 N ATOM 683 CA LEU A 81 40.620 2.347 41.445 1.00 21.00 C ATOM 684 C LEU A 81 40.366 1.719 42.798 1.00 21.73 C ATOM 685 O LEU A 81 40.315 0.498 42.923 1.00 18.92 O ATOM 686 CB LEU A 81 39.553 1.838 40.479 1.00 21.35 C ATOM 687 CG LEU A 81 39.416 2.417 39.085 1.00 22.75 C ATOM 688 CD1 LEU A 81 38.065 1.947 38.607 1.00 22.02 C ATOM 689 CD2 LEU A 81 39.494 3.941 39.100 1.00 21.94 C ATOM 0 H LEU A 81 42.035 1.231 40.640 1.00 21.67 H new ATOM 0 HA LEU A 81 40.564 3.315 41.484 1.00 21.00 H new ATOM 0 HB2 LEU A 81 39.695 0.884 40.377 1.00 21.35 H new ATOM 0 HB3 LEU A 81 38.696 1.951 40.918 1.00 21.35 H new ATOM 0 HG LEU A 81 40.134 2.127 38.502 1.00 22.75 H new ATOM 0 HD11 LEU A 81 37.904 2.282 37.711 1.00 22.02 H new ATOM 0 HD12 LEU A 81 38.044 0.977 38.598 1.00 22.02 H new ATOM 0 HD13 LEU A 81 37.377 2.279 39.204 1.00 22.02 H new ATOM 0 HD21 LEU A 81 39.403 4.279 38.195 1.00 21.94 H new ATOM 0 HD22 LEU A 81 38.779 4.296 39.651 1.00 21.94 H new ATOM 0 HD23 LEU A 81 40.350 4.218 39.464 1.00 21.94 H new ATOM 690 N GLN A 82 40.200 2.568 43.800 1.00 18.73 N ATOM 691 CA GLN A 82 39.909 2.118 45.135 1.00 19.95 C ATOM 692 C GLN A 82 38.555 1.432 45.151 1.00 22.41 C ATOM 693 O GLN A 82 37.624 1.875 44.481 1.00 16.08 O ATOM 694 CB GLN A 82 39.933 3.310 46.087 1.00 22.98 C ATOM 695 CG GLN A 82 41.343 3.837 46.251 1.00 29.56 C ATOM 696 CD GLN A 82 42.261 2.769 46.810 1.00 31.83 C ATOM 697 OE1 GLN A 82 41.899 2.105 47.779 1.00 32.83 O ATOM 698 NE2 GLN A 82 43.435 2.572 46.190 1.00 28.59 N ATOM 0 H GLN A 82 40.254 3.422 43.718 1.00 18.73 H new ATOM 0 HA GLN A 82 40.579 1.480 45.427 1.00 19.95 H new ATOM 0 HB2 GLN A 82 39.358 4.013 45.747 1.00 22.98 H new ATOM 0 HB3 GLN A 82 39.579 3.047 46.951 1.00 22.98 H new ATOM 0 HG2 GLN A 82 41.680 4.141 45.394 1.00 29.56 H new ATOM 0 HG3 GLN A 82 41.338 4.606 46.843 1.00 29.56 H new ATOM 0 HE21 GLN A 82 43.652 3.058 45.515 1.00 28.59 H new ATOM 0 HE22 GLN A 82 43.971 1.959 46.468 1.00 28.59 H new ATOM 699 N LYS A 83 38.455 0.339 45.901 1.00 19.00 N ATOM 700 CA LYS A 83 37.190 -0.385 45.989 1.00 21.35 C ATOM 701 C LYS A 83 36.138 0.478 46.686 1.00 19.90 C ATOM 702 O LYS A 83 36.470 1.377 47.454 1.00 19.53 O ATOM 703 CB LYS A 83 37.379 -1.717 46.726 1.00 21.22 C ATOM 704 CG LYS A 83 37.637 -1.589 48.219 1.00 21.11 C ATOM 705 CD LYS A 83 37.736 -2.965 48.849 1.00 23.14 C ATOM 706 CE LYS A 83 37.865 -2.889 50.359 1.00 27.04 C ATOM 707 NZ LYS A 83 37.960 -4.257 50.957 1.00 36.09 N ATOM 0 H LYS A 83 39.099 0.003 46.362 1.00 19.00 H new ATOM 0 HA LYS A 83 36.881 -0.582 45.091 1.00 21.35 H new ATOM 0 HB2 LYS A 83 36.587 -2.261 46.593 1.00 21.22 H new ATOM 0 HB3 LYS A 83 38.121 -2.193 46.322 1.00 21.22 H new ATOM 0 HG2 LYS A 83 38.458 -1.095 48.372 1.00 21.11 H new ATOM 0 HG3 LYS A 83 36.921 -1.085 48.636 1.00 21.11 H new ATOM 0 HD2 LYS A 83 36.949 -3.483 48.618 1.00 23.14 H new ATOM 0 HD3 LYS A 83 38.502 -3.434 48.483 1.00 23.14 H new ATOM 0 HE2 LYS A 83 38.652 -2.374 50.594 1.00 27.04 H new ATOM 0 HE3 LYS A 83 37.100 -2.423 50.730 1.00 27.04 H new ATOM 0 HZ1 LYS A 83 37.461 -4.295 51.693 1.00 36.09 H new ATOM 0 HZ2 LYS A 83 37.668 -4.859 50.370 1.00 36.09 H new ATOM 0 HZ3 LYS A 83 38.808 -4.433 51.164 1.00 36.09 H new ATOM 708 N PRO A 84 34.856 0.220 46.406 1.00 18.96 N ATOM 709 CA PRO A 84 33.826 1.008 47.083 1.00 20.14 C ATOM 710 C PRO A 84 33.958 0.926 48.607 1.00 22.11 C ATOM 711 O PRO A 84 34.526 -0.025 49.139 1.00 21.00 O ATOM 712 CB PRO A 84 32.524 0.355 46.606 1.00 15.08 C ATOM 713 CG PRO A 84 32.879 -0.205 45.255 1.00 16.39 C ATOM 714 CD PRO A 84 34.283 -0.733 45.442 1.00 16.41 C ATOM 0 HA PRO A 84 33.881 1.954 46.878 1.00 20.14 H new ATOM 0 HB2 PRO A 84 32.231 -0.341 47.214 1.00 15.08 H new ATOM 0 HB3 PRO A 84 31.803 1.001 46.546 1.00 15.08 H new ATOM 0 HG2 PRO A 84 32.266 -0.909 44.989 1.00 16.39 H new ATOM 0 HG3 PRO A 84 32.844 0.477 44.566 1.00 16.39 H new ATOM 0 HD2 PRO A 84 34.285 -1.640 45.786 1.00 16.41 H new ATOM 0 HD3 PRO A 84 34.778 -0.745 44.608 1.00 16.41 H new ATOM 715 N SER A 85 33.427 1.935 49.285 1.00 21.83 N ATOM 716 CA SER A 85 33.590 2.118 50.726 1.00 24.52 C ATOM 717 C SER A 85 32.853 1.081 51.571 1.00 22.59 C ATOM 718 O SER A 85 33.156 0.905 52.748 1.00 22.74 O ATOM 719 CB SER A 85 33.103 3.518 51.113 1.00 26.51 C ATOM 720 OG SER A 85 31.715 3.665 50.825 1.00 31.37 O ATOM 0 H SER A 85 32.951 2.548 48.914 1.00 21.83 H new ATOM 0 HA SER A 85 34.535 2.004 50.912 1.00 24.52 H new ATOM 0 HB2 SER A 85 33.260 3.671 52.058 1.00 26.51 H new ATOM 0 HB3 SER A 85 33.611 4.188 50.629 1.00 26.51 H new ATOM 0 HG SER A 85 31.616 4.204 50.188 1.00 31.37 H new ATOM 721 N GLN A 86 31.872 0.409 50.977 1.00 21.22 N ATOM 722 CA GLN A 86 31.102 -0.603 51.690 1.00 21.46 C ATOM 723 C GLN A 86 30.973 -1.879 50.860 1.00 20.06 C ATOM 724 O GLN A 86 31.012 -1.826 49.640 1.00 20.75 O ATOM 725 CB GLN A 86 29.705 -0.069 52.032 1.00 20.11 C ATOM 726 CG GLN A 86 29.703 1.073 53.047 1.00 25.90 C ATOM 727 CD GLN A 86 28.337 1.708 53.211 1.00 32.43 C ATOM 728 OE1 GLN A 86 28.210 2.937 53.249 1.00 38.07 O ATOM 729 NE2 GLN A 86 27.302 0.875 53.321 1.00 27.60 N ATOM 0 H GLN A 86 31.636 0.525 50.158 1.00 21.22 H new ATOM 0 HA GLN A 86 31.575 -0.813 52.510 1.00 21.46 H new ATOM 0 HB2 GLN A 86 29.278 0.236 51.216 1.00 20.11 H new ATOM 0 HB3 GLN A 86 29.167 -0.798 52.379 1.00 20.11 H new ATOM 0 HG2 GLN A 86 30.005 0.738 53.906 1.00 25.90 H new ATOM 0 HG3 GLN A 86 30.339 1.750 52.767 1.00 25.90 H new ATOM 0 HE21 GLN A 86 27.429 0.025 53.290 1.00 27.60 H new ATOM 0 HE22 GLN A 86 26.507 1.188 53.423 1.00 27.60 H new ATOM 730 N ASP A 87 30.833 -3.018 51.534 1.00 17.81 N ATOM 731 CA ASP A 87 30.551 -4.296 50.881 1.00 19.71 C ATOM 732 C ASP A 87 29.053 -4.571 50.841 1.00 21.10 C ATOM 733 O ASP A 87 28.553 -5.249 49.936 1.00 20.47 O ATOM 734 CB ASP A 87 31.246 -5.438 51.627 1.00 22.56 C ATOM 735 CG ASP A 87 32.757 -5.375 51.510 1.00 24.58 C ATOM 736 OD1 ASP A 87 33.257 -4.885 50.476 1.00 21.96 O ATOM 737 OD2 ASP A 87 33.440 -5.821 52.453 1.00 25.04 O ATOM 0 H ASP A 87 30.899 -3.072 52.390 1.00 17.81 H new ATOM 0 HA ASP A 87 30.888 -4.243 49.973 1.00 19.71 H new ATOM 0 HB2 ASP A 87 30.996 -5.408 52.564 1.00 22.56 H new ATOM 0 HB3 ASP A 87 30.933 -6.287 51.277 1.00 22.56 H new ATOM 738 N GLU A 88 28.353 -4.048 51.845 1.00 19.72 N ATOM 739 CA GLU A 88 26.907 -4.210 51.978 1.00 20.85 C ATOM 740 C GLU A 88 26.304 -2.841 52.225 1.00 20.51 C ATOM 741 O GLU A 88 26.858 -2.043 52.982 1.00 19.34 O ATOM 742 CB GLU A 88 26.569 -5.145 53.141 1.00 23.04 C ATOM 743 CG GLU A 88 27.227 -6.497 53.036 1.00 28.28 C ATOM 744 CD GLU A 88 26.692 -7.490 54.057 1.00 39.91 C ATOM 745 OE1 GLU A 88 26.602 -7.138 55.252 1.00 41.89 O ATOM 746 OE2 GLU A 88 26.356 -8.625 53.658 1.00 43.19 O ATOM 0 H GLU A 88 28.709 -3.584 52.475 1.00 19.72 H new ATOM 0 HA GLU A 88 26.546 -4.602 51.168 1.00 20.85 H new ATOM 0 HB2 GLU A 88 26.839 -4.726 53.973 1.00 23.04 H new ATOM 0 HB3 GLU A 88 25.607 -5.264 53.182 1.00 23.04 H new ATOM 0 HG2 GLU A 88 27.090 -6.851 52.143 1.00 28.28 H new ATOM 0 HG3 GLU A 88 28.184 -6.397 53.158 1.00 28.28 H new ATOM 747 N TRP A 89 25.168 -2.569 51.590 1.00 17.73 N ATOM 748 CA TRP A 89 24.692 -1.192 51.471 1.00 18.77 C ATOM 749 C TRP A 89 23.435 -0.872 52.279 1.00 18.38 C ATOM 750 O TRP A 89 22.898 0.238 52.190 1.00 19.81 O ATOM 751 CB TRP A 89 24.507 -0.835 49.993 1.00 17.13 C ATOM 752 CG TRP A 89 25.824 -0.839 49.230 1.00 16.29 C ATOM 753 CD1 TRP A 89 26.304 -1.828 48.427 1.00 18.38 C ATOM 754 CD2 TRP A 89 26.823 0.188 49.242 1.00 16.67 C ATOM 755 NE1 TRP A 89 27.532 -1.472 47.918 1.00 14.66 N ATOM 756 CE2 TRP A 89 27.871 -0.239 48.404 1.00 16.07 C ATOM 757 CE3 TRP A 89 26.925 1.436 49.869 1.00 19.27 C ATOM 758 CZ2 TRP A 89 29.014 0.534 48.181 1.00 16.33 C ATOM 759 CZ3 TRP A 89 28.060 2.210 49.638 1.00 18.64 C ATOM 760 CH2 TRP A 89 29.088 1.752 48.808 1.00 17.64 C ATOM 0 H TRP A 89 24.662 -3.160 51.224 1.00 17.73 H new ATOM 0 HA TRP A 89 25.381 -0.635 51.867 1.00 18.77 H new ATOM 0 HB2 TRP A 89 23.896 -1.467 49.583 1.00 17.13 H new ATOM 0 HB3 TRP A 89 24.097 0.041 49.923 1.00 17.13 H new ATOM 0 HD1 TRP A 89 25.865 -2.628 48.248 1.00 18.38 H new ATOM 0 HE1 TRP A 89 28.008 -1.947 47.382 1.00 14.66 H new ATOM 0 HE3 TRP A 89 26.248 1.742 50.429 1.00 19.27 H new ATOM 0 HZ2 TRP A 89 29.699 0.234 47.628 1.00 16.33 H new ATOM 0 HZ3 TRP A 89 28.135 3.044 50.042 1.00 18.64 H new ATOM 0 HH2 TRP A 89 29.839 2.285 48.678 1.00 17.64 H new ATOM 761 N GLY A 90 22.984 -1.835 53.079 1.00 18.49 N ATOM 762 CA GLY A 90 21.867 -1.611 53.987 1.00 19.19 C ATOM 763 C GLY A 90 20.535 -1.447 53.267 1.00 17.94 C ATOM 764 O GLY A 90 20.204 -2.202 52.364 1.00 17.80 O ATOM 0 H GLY A 90 23.314 -2.628 53.110 1.00 18.49 H new ATOM 0 HA2 GLY A 90 21.805 -2.356 54.605 1.00 19.19 H new ATOM 0 HA3 GLY A 90 22.042 -0.817 54.517 1.00 19.19 H new ATOM 765 N THR A 91 19.749 -0.469 53.686 1.00 19.96 N ATOM 766 CA THR A 91 18.426 -0.259 53.102 1.00 19.41 C ATOM 767 C THR A 91 18.498 0.615 51.841 1.00 18.16 C ATOM 768 O THR A 91 19.532 1.210 51.547 1.00 16.42 O ATOM 769 CB THR A 91 17.486 0.398 54.117 1.00 21.02 C ATOM 770 OG1 THR A 91 17.999 1.688 54.478 1.00 18.28 O ATOM 771 CG2 THR A 91 17.356 -0.476 55.371 1.00 21.28 C ATOM 0 H THR A 91 19.959 0.087 54.308 1.00 19.96 H new ATOM 0 HA THR A 91 18.080 -1.131 52.856 1.00 19.41 H new ATOM 0 HB THR A 91 16.609 0.496 53.715 1.00 21.02 H new ATOM 0 HG1 THR A 91 17.724 1.895 55.244 1.00 18.28 H new ATOM 0 HG21 THR A 91 16.759 -0.048 56.004 1.00 21.28 H new ATOM 0 HG22 THR A 91 16.998 -1.343 55.125 1.00 21.28 H new ATOM 0 HG23 THR A 91 18.229 -0.590 55.778 1.00 21.28 H new ATOM 772 N THR A 92 17.398 0.687 51.099 1.00 16.02 N ATOM 773 CA THR A 92 17.295 1.616 49.977 1.00 16.90 C ATOM 774 C THR A 92 17.605 3.024 50.480 1.00 15.94 C ATOM 775 O THR A 92 18.321 3.787 49.842 1.00 17.89 O ATOM 776 CB THR A 92 15.878 1.604 49.374 1.00 18.20 C ATOM 777 OG1 THR A 92 15.508 0.266 49.028 1.00 17.83 O ATOM 778 CG2 THR A 92 15.792 2.505 48.127 1.00 20.59 C ATOM 0 H THR A 92 16.697 0.205 51.229 1.00 16.02 H new ATOM 0 HA THR A 92 17.924 1.345 49.290 1.00 16.90 H new ATOM 0 HB THR A 92 15.265 1.951 50.041 1.00 18.20 H new ATOM 0 HG1 THR A 92 15.436 -0.194 49.727 1.00 17.83 H new ATOM 0 HG21 THR A 92 14.891 2.478 47.770 1.00 20.59 H new ATOM 0 HG22 THR A 92 16.016 3.417 48.370 1.00 20.59 H new ATOM 0 HG23 THR A 92 16.416 2.188 47.455 1.00 20.59 H new ATOM 779 N LEU A 93 17.066 3.354 51.647 1.00 16.38 N ATOM 780 CA LEU A 93 17.325 4.638 52.287 1.00 17.13 C ATOM 781 C LEU A 93 18.819 4.866 52.529 1.00 17.79 C ATOM 782 O LEU A 93 19.352 5.921 52.183 1.00 18.86 O ATOM 783 CB LEU A 93 16.572 4.718 53.615 1.00 17.20 C ATOM 784 CG LEU A 93 16.769 6.007 54.405 1.00 21.57 C ATOM 785 CD1 LEU A 93 16.485 7.188 53.506 1.00 22.51 C ATOM 786 CD2 LEU A 93 15.859 6.026 55.622 1.00 24.64 C ATOM 0 H LEU A 93 16.539 2.840 52.091 1.00 16.38 H new ATOM 0 HA LEU A 93 17.012 5.332 51.686 1.00 17.13 H new ATOM 0 HB2 LEU A 93 15.625 4.607 53.439 1.00 17.20 H new ATOM 0 HB3 LEU A 93 16.847 3.972 54.170 1.00 17.20 H new ATOM 0 HG LEU A 93 17.686 6.058 54.718 1.00 21.57 H new ATOM 0 HD11 LEU A 93 16.609 8.011 54.004 1.00 22.51 H new ATOM 0 HD12 LEU A 93 17.093 7.173 52.750 1.00 22.51 H new ATOM 0 HD13 LEU A 93 15.571 7.139 53.186 1.00 22.51 H new ATOM 0 HD21 LEU A 93 15.995 6.850 56.115 1.00 24.64 H new ATOM 0 HD22 LEU A 93 14.934 5.969 55.336 1.00 24.64 H new ATOM 0 HD23 LEU A 93 16.067 5.270 56.194 1.00 24.64 H new ATOM 787 N ASP A 94 19.487 3.885 53.133 1.00 17.30 N ATOM 788 CA ASP A 94 20.929 3.976 53.343 1.00 19.01 C ATOM 789 C ASP A 94 21.639 4.186 52.011 1.00 18.09 C ATOM 790 O ASP A 94 22.547 5.013 51.889 1.00 16.73 O ATOM 791 CB ASP A 94 21.484 2.704 53.999 1.00 19.47 C ATOM 792 CG ASP A 94 21.043 2.533 55.444 1.00 24.17 C ATOM 793 OD1 ASP A 94 20.847 3.545 56.145 1.00 26.63 O ATOM 794 OD2 ASP A 94 20.902 1.371 55.884 1.00 23.79 O ATOM 0 H ASP A 94 19.126 3.162 53.427 1.00 17.30 H new ATOM 0 HA ASP A 94 21.089 4.729 53.933 1.00 19.01 H new ATOM 0 HB2 ASP A 94 21.198 1.932 53.486 1.00 19.47 H new ATOM 0 HB3 ASP A 94 22.453 2.725 53.963 1.00 19.47 H new ATOM 795 N ALA A 95 21.241 3.405 51.015 1.00 16.36 N ATOM 796 CA ALA A 95 21.910 3.425 49.722 1.00 18.69 C ATOM 797 C ALA A 95 21.730 4.757 49.003 1.00 15.82 C ATOM 798 O ALA A 95 22.670 5.278 48.398 1.00 17.00 O ATOM 799 CB ALA A 95 21.417 2.280 48.852 1.00 14.97 C ATOM 0 H ALA A 95 20.583 2.854 51.068 1.00 16.36 H new ATOM 0 HA ALA A 95 22.859 3.312 49.886 1.00 18.69 H new ATOM 0 HB1 ALA A 95 21.871 2.306 47.995 1.00 14.97 H new ATOM 0 HB2 ALA A 95 21.604 1.436 49.291 1.00 14.97 H new ATOM 0 HB3 ALA A 95 20.461 2.367 48.714 1.00 14.97 H new ATOM 800 N MET A 96 20.515 5.293 49.054 1.00 16.53 N ATOM 801 CA MET A 96 20.215 6.572 48.414 1.00 16.78 C ATOM 802 C MET A 96 20.963 7.725 49.087 1.00 17.48 C ATOM 803 O MET A 96 21.416 8.652 48.415 1.00 17.33 O ATOM 804 CB MET A 96 18.705 6.834 48.407 1.00 14.37 C ATOM 805 CG MET A 96 18.255 7.917 47.432 1.00 19.64 C ATOM 806 SD MET A 96 18.563 7.488 45.700 1.00 21.98 S ATOM 807 CE MET A 96 17.517 6.066 45.500 1.00 17.30 C ATOM 0 H MET A 96 19.846 4.931 49.456 1.00 16.53 H new ATOM 0 HA MET A 96 20.521 6.520 47.495 1.00 16.78 H new ATOM 0 HB2 MET A 96 18.246 6.008 48.189 1.00 14.37 H new ATOM 0 HB3 MET A 96 18.428 7.085 49.302 1.00 14.37 H new ATOM 0 HG2 MET A 96 17.307 8.081 47.555 1.00 19.64 H new ATOM 0 HG3 MET A 96 18.716 8.744 47.641 1.00 19.64 H new ATOM 0 HE1 MET A 96 17.354 5.914 44.556 1.00 17.30 H new ATOM 0 HE2 MET A 96 17.952 5.288 45.882 1.00 17.30 H new ATOM 0 HE3 MET A 96 16.673 6.219 45.953 1.00 17.30 H new ATOM 808 N LYS A 97 21.107 7.655 50.410 1.00 16.65 N ATOM 809 CA LYS A 97 21.903 8.638 51.146 1.00 21.13 C ATOM 810 C LYS A 97 23.372 8.605 50.723 1.00 21.12 C ATOM 811 O LYS A 97 23.996 9.647 50.543 1.00 17.62 O ATOM 812 CB LYS A 97 21.805 8.390 52.648 1.00 25.14 C ATOM 813 CG LYS A 97 20.526 8.902 53.288 1.00 26.72 C ATOM 814 CD LYS A 97 20.396 8.361 54.704 1.00 28.00 C ATOM 815 CE LYS A 97 19.301 9.082 55.486 1.00 35.02 C ATOM 816 NZ LYS A 97 19.078 8.407 56.804 1.00 33.88 N ATOM 0 H LYS A 97 20.751 7.045 50.901 1.00 16.65 H new ATOM 0 HA LYS A 97 21.542 9.514 50.936 1.00 21.13 H new ATOM 0 HB2 LYS A 97 21.877 7.437 52.812 1.00 25.14 H new ATOM 0 HB3 LYS A 97 22.562 8.811 53.084 1.00 25.14 H new ATOM 0 HG2 LYS A 97 20.530 9.872 53.304 1.00 26.72 H new ATOM 0 HG3 LYS A 97 19.760 8.630 52.759 1.00 26.72 H new ATOM 0 HD2 LYS A 97 20.199 7.412 54.671 1.00 28.00 H new ATOM 0 HD3 LYS A 97 21.243 8.459 55.167 1.00 28.00 H new ATOM 0 HE2 LYS A 97 19.552 10.008 55.628 1.00 35.02 H new ATOM 0 HE3 LYS A 97 18.477 9.086 54.974 1.00 35.02 H new ATOM 0 HZ1 LYS A 97 18.439 8.834 57.252 1.00 33.88 H new ATOM 0 HZ2 LYS A 97 18.831 7.563 56.667 1.00 33.88 H new ATOM 0 HZ3 LYS A 97 19.832 8.422 57.277 1.00 33.88 H new ATOM 817 N ALA A 98 23.919 7.400 50.572 1.00 18.40 N ATOM 818 CA ALA A 98 25.303 7.248 50.141 1.00 20.85 C ATOM 819 C ALA A 98 25.471 7.755 48.704 1.00 19.37 C ATOM 820 O ALA A 98 26.479 8.375 48.367 1.00 17.36 O ATOM 821 CB ALA A 98 25.761 5.788 50.276 1.00 18.79 C ATOM 0 H ALA A 98 23.505 6.660 50.714 1.00 18.40 H new ATOM 0 HA ALA A 98 25.868 7.785 50.718 1.00 20.85 H new ATOM 0 HB1 ALA A 98 26.683 5.710 49.984 1.00 18.79 H new ATOM 0 HB2 ALA A 98 25.691 5.511 51.203 1.00 18.79 H new ATOM 0 HB3 ALA A 98 25.199 5.220 49.726 1.00 18.79 H new ATOM 822 N ALA A 99 24.473 7.501 47.863 1.00 16.62 N ATOM 823 CA ALA A 99 24.501 7.965 46.474 1.00 15.75 C ATOM 824 C ALA A 99 24.513 9.489 46.400 1.00 18.14 C ATOM 825 O ALA A 99 25.233 10.073 45.597 1.00 18.17 O ATOM 826 CB ALA A 99 23.317 7.405 45.700 1.00 13.17 C ATOM 0 H ALA A 99 23.766 7.060 48.076 1.00 16.62 H new ATOM 0 HA ALA A 99 25.320 7.639 46.068 1.00 15.75 H new ATOM 0 HB1 ALA A 99 23.350 7.721 44.784 1.00 13.17 H new ATOM 0 HB2 ALA A 99 23.354 6.436 45.709 1.00 13.17 H new ATOM 0 HB3 ALA A 99 22.491 7.700 46.114 1.00 13.17 H new ATOM 827 N ILE A 100 23.719 10.148 47.233 1.00 15.44 N ATOM 828 CA AILE A 100 23.699 11.600 47.190 0.51 17.88 C ATOM 829 CA BILE A 100 23.688 11.606 47.252 0.49 17.91 C ATOM 830 C ILE A 100 25.016 12.177 47.727 1.00 18.24 C ATOM 831 O ILE A 100 25.506 13.174 47.204 1.00 17.11 O ATOM 832 CB AILE A 100 22.436 12.204 47.871 0.51 17.29 C ATOM 833 CB BILE A 100 22.559 12.142 48.149 0.49 17.42 C ATOM 834 CG1AILE A 100 22.230 13.660 47.439 0.51 18.34 C ATOM 835 CG1BILE A 100 21.207 11.831 47.512 0.49 16.86 C ATOM 836 CG2AILE A 100 22.507 12.066 49.379 0.51 17.58 C ATOM 837 CG2BILE A 100 22.734 13.635 48.382 0.49 17.38 C ATOM 838 CD1AILE A 100 20.810 14.155 47.652 0.51 17.59 C ATOM 839 CD1BILE A 100 20.052 12.620 48.086 0.49 17.63 C ATOM 0 H AILE A 100 23.199 9.786 47.814 0.51 15.44 H new ATOM 0 H BILE A 100 23.190 9.771 47.796 0.49 15.44 H new ATOM 0 HA AILE A 100 23.630 11.868 46.260 0.51 17.91 H new ATOM 0 HA BILE A 100 23.522 11.891 46.340 0.49 17.91 H new ATOM 0 HB AILE A 100 21.661 11.700 47.576 0.51 17.42 H new ATOM 0 HB BILE A 100 22.596 11.704 49.014 0.49 17.42 H new ATOM 0 HG12AILE A 100 22.841 14.227 47.934 0.51 16.86 H new ATOM 0 HG12BILE A 100 21.262 12.006 46.559 0.49 16.86 H new ATOM 0 HG13AILE A 100 22.459 13.748 46.501 0.51 16.86 H new ATOM 0 HG13BILE A 100 21.022 10.885 47.617 0.49 16.86 H new ATOM 0 HG21AILE A 100 21.710 12.449 49.777 0.51 17.38 H new ATOM 0 HG21BILE A 100 22.017 13.961 48.948 0.49 17.38 H new ATOM 0 HG22AILE A 100 22.567 11.127 49.616 0.51 17.38 H new ATOM 0 HG22BILE A 100 23.587 13.797 48.815 0.49 17.38 H new ATOM 0 HG23AILE A 100 23.290 12.533 49.710 0.51 17.38 H new ATOM 0 HG23BILE A 100 22.710 14.100 47.531 0.49 17.38 H new ATOM 0 HD11AILE A 100 20.742 15.078 47.362 0.51 17.63 H new ATOM 0 HD11BILE A 100 19.232 12.369 47.633 0.49 17.63 H new ATOM 0 HD12AILE A 100 20.196 13.608 47.137 0.51 17.63 H new ATOM 0 HD12BILE A 100 19.969 12.430 49.034 0.49 17.63 H new ATOM 0 HD13AILE A 100 20.584 14.095 48.593 0.51 17.63 H new ATOM 0 HD13BILE A 100 20.213 13.568 47.960 0.49 17.63 H new ATOM 840 N VAL A 101 25.602 11.533 48.732 1.00 18.02 N ATOM 841 CA VAL A 101 26.917 11.950 49.214 1.00 19.26 C ATOM 842 C VAL A 101 27.971 11.837 48.113 1.00 18.66 C ATOM 843 O VAL A 101 28.758 12.763 47.908 1.00 16.92 O ATOM 844 CB VAL A 101 27.364 11.165 50.462 1.00 19.80 C ATOM 845 CG1 VAL A 101 28.866 11.372 50.733 1.00 19.43 C ATOM 846 CG2 VAL A 101 26.540 11.603 51.659 1.00 23.90 C ATOM 0 H VAL A 101 25.261 10.860 49.145 1.00 18.02 H new ATOM 0 HA VAL A 101 26.831 12.881 49.471 1.00 19.26 H new ATOM 0 HB VAL A 101 27.220 10.219 50.305 1.00 19.80 H new ATOM 0 HG11 VAL A 101 29.125 10.870 51.521 1.00 19.43 H new ATOM 0 HG12 VAL A 101 29.378 11.062 49.970 1.00 19.43 H new ATOM 0 HG13 VAL A 101 29.042 12.315 50.879 1.00 19.43 H new ATOM 0 HG21 VAL A 101 26.822 11.108 52.444 1.00 23.90 H new ATOM 0 HG22 VAL A 101 26.669 12.552 51.811 1.00 23.90 H new ATOM 0 HG23 VAL A 101 25.601 11.429 51.487 1.00 23.90 H new ATOM 847 N LEU A 102 27.977 10.699 47.420 1.00 15.02 N ATOM 848 CA LEU A 102 28.828 10.476 46.244 1.00 17.93 C ATOM 849 C LEU A 102 28.661 11.544 45.147 1.00 19.64 C ATOM 850 O LEU A 102 29.646 12.069 44.604 1.00 16.43 O ATOM 851 CB LEU A 102 28.540 9.077 45.665 1.00 16.98 C ATOM 852 CG LEU A 102 29.306 8.603 44.429 1.00 21.65 C ATOM 853 CD1 LEU A 102 30.788 8.803 44.638 1.00 27.34 C ATOM 854 CD2 LEU A 102 28.996 7.140 44.108 1.00 20.38 C ATOM 0 H LEU A 102 27.482 10.025 47.620 1.00 15.02 H new ATOM 0 HA LEU A 102 29.747 10.542 46.546 1.00 17.93 H new ATOM 0 HB2 LEU A 102 28.699 8.431 46.371 1.00 16.98 H new ATOM 0 HB3 LEU A 102 27.594 9.039 45.454 1.00 16.98 H new ATOM 0 HG LEU A 102 29.019 9.133 43.669 1.00 21.65 H new ATOM 0 HD11 LEU A 102 31.269 8.501 43.852 1.00 27.34 H new ATOM 0 HD12 LEU A 102 30.970 9.744 44.786 1.00 27.34 H new ATOM 0 HD13 LEU A 102 31.078 8.292 45.410 1.00 27.34 H new ATOM 0 HD21 LEU A 102 29.495 6.868 43.322 1.00 20.38 H new ATOM 0 HD22 LEU A 102 29.250 6.583 44.860 1.00 20.38 H new ATOM 0 HD23 LEU A 102 28.046 7.040 43.938 1.00 20.38 H new ATOM 855 N GLU A 103 27.420 11.854 44.798 1.00 16.44 N ATOM 856 CA GLU A 103 27.176 12.832 43.738 1.00 17.23 C ATOM 857 C GLU A 103 27.583 14.248 44.136 1.00 16.84 C ATOM 858 O GLU A 103 28.101 15.002 43.315 1.00 15.43 O ATOM 859 CB GLU A 103 25.703 12.826 43.310 1.00 17.83 C ATOM 860 CG GLU A 103 25.252 11.531 42.656 1.00 17.15 C ATOM 861 CD GLU A 103 26.075 11.161 41.432 1.00 19.36 C ATOM 862 OE1 GLU A 103 26.518 12.061 40.688 1.00 19.75 O ATOM 863 OE2 GLU A 103 26.282 9.953 41.200 1.00 20.17 O ATOM 0 H GLU A 103 26.713 11.518 45.154 1.00 16.44 H new ATOM 0 HA GLU A 103 27.733 12.562 42.991 1.00 17.23 H new ATOM 0 HB2 GLU A 103 25.149 12.994 44.089 1.00 17.83 H new ATOM 0 HB3 GLU A 103 25.553 13.558 42.692 1.00 17.83 H new ATOM 0 HG2 GLU A 103 25.306 10.812 43.305 1.00 17.15 H new ATOM 0 HG3 GLU A 103 24.320 11.612 42.400 1.00 17.15 H new ATOM 864 N LYS A 104 27.332 14.620 45.386 1.00 16.20 N ATOM 865 CA LYS A 104 27.797 15.918 45.856 1.00 17.95 C ATOM 866 C LYS A 104 29.315 16.010 45.797 1.00 18.96 C ATOM 867 O LYS A 104 29.860 17.069 45.473 1.00 17.81 O ATOM 868 CB LYS A 104 27.261 16.216 47.254 1.00 18.58 C ATOM 869 CG LYS A 104 25.770 16.526 47.214 1.00 21.44 C ATOM 870 CD LYS A 104 25.161 16.568 48.592 1.00 26.48 C ATOM 871 CE LYS A 104 24.939 17.987 49.035 1.00 28.82 C ATOM 872 NZ LYS A 104 24.262 17.991 50.345 1.00 36.92 N ATOM 0 H LYS A 104 26.905 14.149 45.965 1.00 16.20 H new ATOM 0 HA LYS A 104 27.446 16.599 45.261 1.00 17.95 H new ATOM 0 HB2 LYS A 104 27.421 15.455 47.834 1.00 18.58 H new ATOM 0 HB3 LYS A 104 27.741 16.968 47.634 1.00 18.58 H new ATOM 0 HG2 LYS A 104 25.630 17.379 46.774 1.00 21.44 H new ATOM 0 HG3 LYS A 104 25.316 15.854 46.682 1.00 21.44 H new ATOM 0 HD2 LYS A 104 24.317 16.089 48.592 1.00 26.48 H new ATOM 0 HD3 LYS A 104 25.744 16.116 49.222 1.00 26.48 H new ATOM 0 HE2 LYS A 104 25.787 18.454 49.097 1.00 28.82 H new ATOM 0 HE3 LYS A 104 24.402 18.460 48.381 1.00 28.82 H new ATOM 0 HZ1 LYS A 104 24.130 18.831 50.609 1.00 36.92 H new ATOM 0 HZ2 LYS A 104 23.478 17.575 50.276 1.00 36.92 H new ATOM 0 HZ3 LYS A 104 24.769 17.569 50.943 1.00 36.92 H new ATOM 873 N SER A 105 30.005 14.908 46.095 1.00 16.58 N ATOM 874 CA SER A 105 31.462 14.925 45.987 1.00 18.83 C ATOM 875 C SER A 105 31.934 15.041 44.525 1.00 18.88 C ATOM 876 O SER A 105 32.885 15.778 44.233 1.00 18.67 O ATOM 877 CB SER A 105 32.102 13.733 46.723 1.00 21.27 C ATOM 878 OG SER A 105 31.924 12.515 46.014 1.00 29.62 O ATOM 0 H SER A 105 29.661 14.163 46.353 1.00 16.58 H new ATOM 0 HA SER A 105 31.773 15.727 46.435 1.00 18.83 H new ATOM 0 HB2 SER A 105 33.050 13.900 46.845 1.00 21.27 H new ATOM 0 HB3 SER A 105 31.712 13.652 47.607 1.00 21.27 H new ATOM 0 HG SER A 105 31.177 12.521 45.630 1.00 29.62 H new ATOM 879 N LEU A 106 31.256 14.361 43.597 1.00 15.49 N ATOM 880 CA LEU A 106 31.562 14.538 42.172 1.00 15.24 C ATOM 881 C LEU A 106 31.273 15.970 41.727 1.00 17.12 C ATOM 882 O LEU A 106 32.057 16.585 41.001 1.00 16.26 O ATOM 883 CB LEU A 106 30.756 13.566 41.296 1.00 19.61 C ATOM 884 CG LEU A 106 31.138 12.085 41.291 1.00 22.85 C ATOM 885 CD1 LEU A 106 30.197 11.283 40.370 1.00 20.97 C ATOM 886 CD2 LEU A 106 32.576 11.924 40.842 1.00 18.41 C ATOM 0 H LEU A 106 30.625 13.801 43.766 1.00 15.49 H new ATOM 0 HA LEU A 106 32.507 14.349 42.060 1.00 15.24 H new ATOM 0 HB2 LEU A 106 29.827 13.628 41.567 1.00 19.61 H new ATOM 0 HB3 LEU A 106 30.806 13.885 40.381 1.00 19.61 H new ATOM 0 HG LEU A 106 31.048 11.739 42.193 1.00 22.85 H new ATOM 0 HD11 LEU A 106 30.454 10.348 40.380 1.00 20.97 H new ATOM 0 HD12 LEU A 106 29.284 11.370 40.685 1.00 20.97 H new ATOM 0 HD13 LEU A 106 30.260 11.626 39.465 1.00 20.97 H new ATOM 0 HD21 LEU A 106 32.812 10.983 40.841 1.00 18.41 H new ATOM 0 HD22 LEU A 106 32.678 12.283 39.947 1.00 18.41 H new ATOM 0 HD23 LEU A 106 33.161 12.403 41.450 1.00 18.41 H new ATOM 887 N ASN A 107 30.129 16.495 42.148 1.00 17.81 N ATOM 888 CA ASN A 107 29.748 17.865 41.797 1.00 16.96 C ATOM 889 C ASN A 107 30.779 18.881 42.293 1.00 15.68 C ATOM 890 O ASN A 107 31.136 19.813 41.566 1.00 13.91 O ATOM 891 CB ASN A 107 28.359 18.190 42.365 1.00 16.09 C ATOM 892 CG ASN A 107 27.702 19.387 41.693 1.00 18.74 C ATOM 893 OD1 ASN A 107 27.843 19.599 40.487 1.00 17.63 O ATOM 894 ND2 ASN A 107 26.955 20.166 42.476 1.00 18.55 N ATOM 0 H ASN A 107 29.557 16.078 42.637 1.00 17.81 H new ATOM 0 HA ASN A 107 29.718 17.927 40.829 1.00 16.96 H new ATOM 0 HB2 ASN A 107 27.785 17.415 42.264 1.00 16.09 H new ATOM 0 HB3 ASN A 107 28.437 18.363 43.316 1.00 16.09 H new ATOM 0 HD21 ASN A 107 26.549 20.847 42.143 1.00 18.55 H new ATOM 0 HD22 ASN A 107 26.879 19.987 43.314 1.00 18.55 H new ATOM 895 N GLN A 108 31.247 18.713 43.529 1.00 18.57 N ATOM 896 CA GLN A 108 32.239 19.640 44.090 1.00 16.62 C ATOM 897 C GLN A 108 33.543 19.587 43.293 1.00 18.53 C ATOM 898 O GLN A 108 34.186 20.613 43.064 1.00 18.95 O ATOM 899 CB GLN A 108 32.524 19.345 45.564 1.00 18.87 C ATOM 900 CG GLN A 108 33.380 20.429 46.233 1.00 20.80 C ATOM 901 CD GLN A 108 32.723 21.805 46.151 1.00 22.92 C ATOM 902 OE1 GLN A 108 31.614 22.000 46.644 1.00 26.29 O ATOM 903 NE2 GLN A 108 33.399 22.757 45.511 1.00 23.04 N ATOM 0 H GLN A 108 31.008 18.077 44.057 1.00 18.57 H new ATOM 0 HA GLN A 108 31.861 20.531 44.027 1.00 16.62 H new ATOM 0 HB2 GLN A 108 31.684 19.262 46.041 1.00 18.87 H new ATOM 0 HB3 GLN A 108 32.977 18.490 45.637 1.00 18.87 H new ATOM 0 HG2 GLN A 108 33.527 20.196 47.163 1.00 20.80 H new ATOM 0 HG3 GLN A 108 34.251 20.461 45.807 1.00 20.80 H new ATOM 0 HE21 GLN A 108 34.173 22.585 45.178 1.00 23.04 H new ATOM 0 HE22 GLN A 108 33.061 23.544 45.430 1.00 23.04 H new ATOM 904 N ALA A 109 33.928 18.383 42.877 1.00 17.39 N ATOM 905 CA ALA A 109 35.103 18.200 42.031 1.00 18.66 C ATOM 906 C ALA A 109 34.940 18.917 40.696 1.00 16.96 C ATOM 907 O ALA A 109 35.888 19.537 40.198 1.00 15.78 O ATOM 908 CB ALA A 109 35.386 16.718 41.810 1.00 15.20 C ATOM 0 H ALA A 109 33.518 17.654 43.076 1.00 17.39 H new ATOM 0 HA ALA A 109 35.861 18.592 42.491 1.00 18.66 H new ATOM 0 HB1 ALA A 109 36.169 16.618 41.246 1.00 15.20 H new ATOM 0 HB2 ALA A 109 35.546 16.288 42.665 1.00 15.20 H new ATOM 0 HB3 ALA A 109 34.623 16.303 41.378 1.00 15.20 H new ATOM 909 N LEU A 110 33.750 18.820 40.104 1.00 16.59 N ATOM 910 CA LEU A 110 33.458 19.555 38.869 1.00 14.56 C ATOM 911 C LEU A 110 33.546 21.063 39.089 1.00 18.12 C ATOM 912 O LEU A 110 34.107 21.795 38.273 1.00 17.56 O ATOM 913 CB LEU A 110 32.056 19.201 38.349 1.00 19.00 C ATOM 914 CG LEU A 110 31.825 17.810 37.779 1.00 19.43 C ATOM 915 CD1 LEU A 110 30.334 17.542 37.629 1.00 21.10 C ATOM 916 CD2 LEU A 110 32.537 17.659 36.449 1.00 23.91 C ATOM 0 H LEU A 110 33.101 18.338 40.397 1.00 16.59 H new ATOM 0 HA LEU A 110 34.123 19.295 38.212 1.00 14.56 H new ATOM 0 HB2 LEU A 110 31.430 19.329 39.078 1.00 19.00 H new ATOM 0 HB3 LEU A 110 31.825 19.844 37.661 1.00 19.00 H new ATOM 0 HG LEU A 110 32.191 17.156 38.394 1.00 19.43 H new ATOM 0 HD11 LEU A 110 30.200 16.653 37.265 1.00 21.10 H new ATOM 0 HD12 LEU A 110 29.905 17.604 38.497 1.00 21.10 H new ATOM 0 HD13 LEU A 110 29.946 18.198 37.029 1.00 21.10 H new ATOM 0 HD21 LEU A 110 32.381 16.768 36.098 1.00 23.91 H new ATOM 0 HD22 LEU A 110 32.197 18.317 35.823 1.00 23.91 H new ATOM 0 HD23 LEU A 110 33.489 17.795 36.574 1.00 23.91 H new ATOM 917 N LEU A 111 32.964 21.529 40.185 1.00 16.79 N ATOM 918 CA LEU A 111 33.011 22.945 40.513 1.00 18.76 C ATOM 919 C LEU A 111 34.445 23.420 40.735 1.00 17.60 C ATOM 920 O LEU A 111 34.807 24.513 40.307 1.00 19.80 O ATOM 921 CB LEU A 111 32.132 23.268 41.732 1.00 15.79 C ATOM 922 CG LEU A 111 30.626 23.041 41.540 1.00 16.78 C ATOM 923 CD1 LEU A 111 29.886 23.208 42.871 1.00 20.32 C ATOM 924 CD2 LEU A 111 30.066 23.977 40.476 1.00 18.40 C ATOM 0 H LEU A 111 32.537 21.042 40.751 1.00 16.79 H new ATOM 0 HA LEU A 111 32.653 23.428 39.752 1.00 18.76 H new ATOM 0 HB2 LEU A 111 32.432 22.728 42.480 1.00 15.79 H new ATOM 0 HB3 LEU A 111 32.275 24.196 41.977 1.00 15.79 H new ATOM 0 HG LEU A 111 30.490 22.132 41.231 1.00 16.78 H new ATOM 0 HD11 LEU A 111 28.937 23.062 42.734 1.00 20.32 H new ATOM 0 HD12 LEU A 111 30.223 22.563 43.512 1.00 20.32 H new ATOM 0 HD13 LEU A 111 30.029 24.105 43.211 1.00 20.32 H new ATOM 0 HD21 LEU A 111 29.115 23.816 40.372 1.00 18.40 H new ATOM 0 HD22 LEU A 111 30.210 24.897 40.746 1.00 18.40 H new ATOM 0 HD23 LEU A 111 30.516 23.814 39.632 1.00 18.40 H new ATOM 925 N ASP A 112 35.252 22.600 41.401 1.00 18.07 N ATOM 926 CA ASP A 112 36.659 22.932 41.630 1.00 20.50 C ATOM 927 C ASP A 112 37.428 23.022 40.311 1.00 19.36 C ATOM 928 O ASP A 112 38.261 23.918 40.117 1.00 18.15 O ATOM 929 CB ASP A 112 37.329 21.885 42.531 1.00 20.60 C ATOM 930 CG ASP A 112 36.837 21.929 43.976 1.00 21.24 C ATOM 931 OD1 ASP A 112 36.181 22.904 44.390 1.00 19.70 O ATOM 932 OD2 ASP A 112 37.129 20.970 44.711 1.00 24.87 O ATOM 0 H ASP A 112 35.006 21.844 41.730 1.00 18.07 H new ATOM 0 HA ASP A 112 36.681 23.797 42.069 1.00 20.50 H new ATOM 0 HB2 ASP A 112 37.165 21.001 42.167 1.00 20.60 H new ATOM 0 HB3 ASP A 112 38.289 22.023 42.518 1.00 20.60 H new ATOM 933 N LEU A 113 37.161 22.083 39.407 1.00 19.19 N ATOM 934 CA LEU A 113 37.823 22.069 38.100 1.00 19.70 C ATOM 935 C LEU A 113 37.401 23.266 37.263 1.00 20.77 C ATOM 936 O LEU A 113 38.205 23.856 36.541 1.00 20.65 O ATOM 937 CB LEU A 113 37.528 20.766 37.350 1.00 17.33 C ATOM 938 CG LEU A 113 38.115 20.619 35.946 1.00 21.82 C ATOM 939 CD1 LEU A 113 39.641 20.792 35.914 1.00 21.01 C ATOM 940 CD2 LEU A 113 37.717 19.273 35.369 1.00 18.56 C ATOM 0 H LEU A 113 36.599 21.443 39.529 1.00 19.19 H new ATOM 0 HA LEU A 113 38.779 22.125 38.253 1.00 19.70 H new ATOM 0 HB2 LEU A 113 37.852 20.028 37.890 1.00 17.33 H new ATOM 0 HB3 LEU A 113 36.565 20.668 37.285 1.00 17.33 H new ATOM 0 HG LEU A 113 37.749 21.333 35.401 1.00 21.82 H new ATOM 0 HD11 LEU A 113 39.959 20.689 35.004 1.00 21.01 H new ATOM 0 HD12 LEU A 113 39.874 21.676 36.240 1.00 21.01 H new ATOM 0 HD13 LEU A 113 40.055 20.120 36.478 1.00 21.01 H new ATOM 0 HD21 LEU A 113 38.089 19.180 34.478 1.00 18.56 H new ATOM 0 HD22 LEU A 113 38.057 18.564 35.937 1.00 18.56 H new ATOM 0 HD23 LEU A 113 36.750 19.214 35.322 1.00 18.56 H new ATOM 941 N HIS A 114 36.129 23.625 37.364 1.00 20.35 N ATOM 942 CA HIS A 114 35.634 24.792 36.661 1.00 21.85 C ATOM 943 C HIS A 114 36.345 26.050 37.183 1.00 20.60 C ATOM 944 O HIS A 114 36.766 26.904 36.401 1.00 20.98 O ATOM 945 CB HIS A 114 34.115 24.915 36.807 1.00 20.35 C ATOM 946 CG HIS A 114 33.517 25.965 35.922 1.00 24.59 C ATOM 947 ND1 HIS A 114 33.621 27.314 36.193 1.00 27.56 N ATOM 948 CD2 HIS A 114 32.836 25.866 34.758 1.00 24.22 C ATOM 949 CE1 HIS A 114 33.024 28.001 35.235 1.00 28.49 C ATOM 950 NE2 HIS A 114 32.536 27.146 34.355 1.00 27.57 N ATOM 0 H HIS A 114 35.541 23.208 37.832 1.00 20.35 H new ATOM 0 HA HIS A 114 35.827 24.695 35.715 1.00 21.85 H new ATOM 0 HB2 HIS A 114 33.707 24.059 36.604 1.00 20.35 H new ATOM 0 HB3 HIS A 114 33.901 25.119 37.731 1.00 20.35 H new ATOM 0 HD2 HIS A 114 32.613 25.080 34.314 1.00 24.22 H new ATOM 0 HE1 HIS A 114 32.959 28.928 35.189 1.00 28.49 H new ATOM 0 HE2 HIS A 114 32.100 27.356 33.644 1.00 27.57 H new ATOM 951 N ALA A 115 36.494 26.156 38.502 1.00 21.43 N ATOM 952 CA ALA A 115 37.168 27.316 39.090 1.00 20.59 C ATOM 953 C ALA A 115 38.624 27.390 38.621 1.00 23.18 C ATOM 954 O ALA A 115 39.139 28.469 38.320 1.00 22.24 O ATOM 955 CB ALA A 115 37.085 27.286 40.620 1.00 20.21 C ATOM 0 H ALA A 115 36.215 25.574 39.071 1.00 21.43 H new ATOM 0 HA ALA A 115 36.711 28.115 38.786 1.00 20.59 H new ATOM 0 HB1 ALA A 115 37.538 28.063 40.984 1.00 20.21 H new ATOM 0 HB2 ALA A 115 36.155 27.296 40.894 1.00 20.21 H new ATOM 0 HB3 ALA A 115 37.510 26.480 40.952 1.00 20.21 H new ATOM 956 N LEU A 116 39.278 26.236 38.554 1.00 21.11 N ATOM 957 CA LEU A 116 40.641 26.146 38.042 1.00 22.83 C ATOM 958 C LEU A 116 40.713 26.603 36.581 1.00 23.88 C ATOM 959 O LEU A 116 41.609 27.363 36.204 1.00 27.11 O ATOM 960 CB LEU A 116 41.173 24.714 38.181 1.00 18.94 C ATOM 961 CG LEU A 116 42.562 24.453 37.604 1.00 23.94 C ATOM 962 CD1 LEU A 116 43.608 25.262 38.379 1.00 25.56 C ATOM 963 CD2 LEU A 116 42.881 22.963 37.653 1.00 21.08 C ATOM 0 H LEU A 116 38.945 25.483 38.804 1.00 21.11 H new ATOM 0 HA LEU A 116 41.199 26.738 38.570 1.00 22.83 H new ATOM 0 HB2 LEU A 116 41.186 24.483 39.123 1.00 18.94 H new ATOM 0 HB3 LEU A 116 40.546 24.112 37.750 1.00 18.94 H new ATOM 0 HG LEU A 116 42.580 24.735 36.676 1.00 23.94 H new ATOM 0 HD11 LEU A 116 44.488 25.092 38.008 1.00 25.56 H new ATOM 0 HD12 LEU A 116 43.404 26.208 38.307 1.00 25.56 H new ATOM 0 HD13 LEU A 116 43.595 24.999 39.312 1.00 25.56 H new ATOM 0 HD21 LEU A 116 43.765 22.809 37.284 1.00 21.08 H new ATOM 0 HD22 LEU A 116 42.857 22.657 38.573 1.00 21.08 H new ATOM 0 HD23 LEU A 116 42.224 22.474 37.133 1.00 21.08 H new ATOM 964 N GLY A 117 39.763 26.146 35.768 1.00 21.14 N ATOM 965 CA GLY A 117 39.719 26.503 34.360 1.00 23.78 C ATOM 966 C GLY A 117 39.532 27.996 34.187 1.00 24.99 C ATOM 967 O GLY A 117 40.182 28.625 33.353 1.00 26.36 O ATOM 0 H GLY A 117 39.129 25.622 36.020 1.00 21.14 H new ATOM 0 HA2 GLY A 117 40.540 26.224 33.926 1.00 23.78 H new ATOM 0 HA3 GLY A 117 38.993 26.030 33.925 1.00 23.78 H new ATOM 968 N SER A 118 38.645 28.566 34.993 1.00 25.19 N ATOM 969 CA SER A 118 38.426 30.006 35.000 1.00 26.81 C ATOM 970 C SER A 118 39.687 30.771 35.430 1.00 27.12 C ATOM 971 O SER A 118 40.030 31.783 34.825 1.00 25.88 O ATOM 972 CB SER A 118 37.224 30.362 35.885 1.00 26.31 C ATOM 973 OG SER A 118 37.078 31.764 36.015 1.00 36.48 O ATOM 0 H SER A 118 38.155 28.131 35.549 1.00 25.19 H new ATOM 0 HA SER A 118 38.226 30.282 34.092 1.00 26.81 H new ATOM 0 HB2 SER A 118 36.416 29.985 35.504 1.00 26.31 H new ATOM 0 HB3 SER A 118 37.336 29.964 36.762 1.00 26.31 H new ATOM 0 HG SER A 118 36.414 31.933 36.501 1.00 36.48 H new ATOM 974 N ALA A 119 40.382 30.285 36.456 1.00 25.32 N ATOM 975 CA ALA A 119 41.651 30.890 36.873 1.00 29.47 C ATOM 976 C ALA A 119 42.724 30.812 35.776 1.00 28.74 C ATOM 977 O ALA A 119 43.522 31.735 35.609 1.00 27.55 O ATOM 978 CB ALA A 119 42.159 30.250 38.165 1.00 30.66 C ATOM 0 H ALA A 119 40.139 29.606 36.925 1.00 25.32 H new ATOM 0 HA ALA A 119 41.475 31.830 37.036 1.00 29.47 H new ATOM 0 HB1 ALA A 119 42.998 30.663 38.423 1.00 30.66 H new ATOM 0 HB2 ALA A 119 41.505 30.379 38.869 1.00 30.66 H new ATOM 0 HB3 ALA A 119 42.297 29.300 38.023 1.00 30.66 H new ATOM 979 N GLN A 120 42.742 29.705 35.039 1.00 27.91 N ATOM 980 CA GLN A 120 43.700 29.504 33.954 1.00 23.74 C ATOM 981 C GLN A 120 43.247 30.149 32.637 1.00 25.44 C ATOM 982 O GLN A 120 43.913 30.000 31.615 1.00 28.15 O ATOM 983 CB GLN A 120 43.948 28.004 33.736 1.00 25.26 C ATOM 984 CG GLN A 120 44.647 27.287 34.902 1.00 27.54 C ATOM 985 CD GLN A 120 46.115 27.660 35.027 1.00 31.38 C ATOM 986 OE1 GLN A 120 46.744 28.082 34.053 1.00 32.10 O ATOM 987 NE2 GLN A 120 46.667 27.515 36.232 1.00 30.16 N ATOM 0 H GLN A 120 42.199 29.048 35.154 1.00 27.91 H new ATOM 0 HA GLN A 120 44.523 29.941 34.223 1.00 23.74 H new ATOM 0 HB2 GLN A 120 43.097 27.570 33.570 1.00 25.26 H new ATOM 0 HB3 GLN A 120 44.485 27.891 32.936 1.00 25.26 H new ATOM 0 HG2 GLN A 120 44.191 27.504 35.730 1.00 27.54 H new ATOM 0 HG3 GLN A 120 44.571 26.328 34.779 1.00 27.54 H new ATOM 0 HE21 GLN A 120 46.196 27.218 36.888 1.00 30.16 H new ATOM 0 HE22 GLN A 120 47.494 27.719 36.354 1.00 30.16 H new ATOM 988 N ALA A 121 42.128 30.869 32.668 1.00 25.51 N ATOM 989 CA ALA A 121 41.501 31.420 31.457 1.00 24.21 C ATOM 990 C ALA A 121 41.381 30.378 30.341 1.00 24.93 C ATOM 991 O ALA A 121 41.900 30.554 29.237 1.00 22.30 O ATOM 992 CB ALA A 121 42.234 32.681 30.964 1.00 25.83 C ATOM 0 H ALA A 121 41.706 31.055 33.394 1.00 25.51 H new ATOM 0 HA ALA A 121 40.599 31.678 31.704 1.00 24.21 H new ATOM 0 HB1 ALA A 121 41.797 33.019 30.167 1.00 25.83 H new ATOM 0 HB2 ALA A 121 42.212 33.360 31.656 1.00 25.83 H new ATOM 0 HB3 ALA A 121 43.156 32.460 30.758 1.00 25.83 H new ATOM 993 N ASP A 122 40.679 29.292 30.644 1.00 24.42 N ATOM 994 CA ASP A 122 40.505 28.175 29.719 1.00 21.35 C ATOM 995 C ASP A 122 39.007 28.032 29.445 1.00 21.30 C ATOM 996 O ASP A 122 38.344 27.196 30.051 1.00 22.09 O ATOM 997 CB ASP A 122 41.062 26.895 30.375 1.00 21.19 C ATOM 998 CG ASP A 122 41.153 25.713 29.407 1.00 24.13 C ATOM 999 OD1 ASP A 122 40.462 25.727 28.366 1.00 20.07 O ATOM 1000 OD2 ASP A 122 41.909 24.761 29.703 1.00 21.02 O ATOM 0 H ASP A 122 40.285 29.180 31.400 1.00 24.42 H new ATOM 0 HA ASP A 122 40.978 28.325 28.886 1.00 21.35 H new ATOM 0 HB2 ASP A 122 41.944 27.080 30.734 1.00 21.19 H new ATOM 0 HB3 ASP A 122 40.496 26.650 31.124 1.00 21.19 H new ATOM 1001 N PRO A 123 38.460 28.860 28.540 1.00 23.17 N ATOM 1002 CA PRO A 123 37.011 28.858 28.289 1.00 23.50 C ATOM 1003 C PRO A 123 36.500 27.558 27.675 1.00 22.91 C ATOM 1004 O PRO A 123 35.332 27.223 27.889 1.00 22.18 O ATOM 1005 CB PRO A 123 36.816 30.008 27.296 1.00 24.26 C ATOM 1006 CG PRO A 123 38.154 30.206 26.663 1.00 22.63 C ATOM 1007 CD PRO A 123 39.156 29.881 27.741 1.00 21.55 C ATOM 0 HA PRO A 123 36.518 28.952 29.119 1.00 23.50 H new ATOM 0 HB2 PRO A 123 36.143 29.789 26.633 1.00 24.26 H new ATOM 0 HB3 PRO A 123 36.518 30.814 27.746 1.00 24.26 H new ATOM 0 HG2 PRO A 123 38.267 29.626 25.894 1.00 22.63 H new ATOM 0 HG3 PRO A 123 38.261 31.117 26.349 1.00 22.63 H new ATOM 0 HD2 PRO A 123 39.986 29.543 27.370 1.00 21.55 H new ATOM 0 HD3 PRO A 123 39.379 30.662 28.271 1.00 21.55 H new ATOM 1008 N HIS A 124 37.331 26.837 26.927 1.00 22.95 N ATOM 1009 CA HIS A 124 36.846 25.585 26.351 1.00 22.90 C ATOM 1010 C HIS A 124 36.531 24.586 27.455 1.00 21.73 C ATOM 1011 O HIS A 124 35.508 23.907 27.406 1.00 19.51 O ATOM 1012 CB HIS A 124 37.829 24.962 25.355 1.00 20.37 C ATOM 1013 CG HIS A 124 37.346 23.667 24.775 1.00 23.38 C ATOM 1014 ND1 HIS A 124 37.641 22.439 25.336 1.00 23.59 N ATOM 1015 CD2 HIS A 124 36.580 23.407 23.687 1.00 22.72 C ATOM 1016 CE1 HIS A 124 37.091 21.481 24.611 1.00 20.47 C ATOM 1017 NE2 HIS A 124 36.437 22.041 23.606 1.00 23.97 N ATOM 0 H HIS A 124 38.146 27.042 26.746 1.00 22.95 H new ATOM 0 HA HIS A 124 36.040 25.802 25.857 1.00 22.90 H new ATOM 0 HB2 HIS A 124 37.992 25.591 24.635 1.00 20.37 H new ATOM 0 HB3 HIS A 124 38.679 24.813 25.799 1.00 20.37 H new ATOM 0 HD1 HIS A 124 38.110 22.317 26.047 1.00 23.59 H new ATOM 0 HD2 HIS A 124 36.219 24.035 23.104 1.00 22.72 H new ATOM 0 HE1 HIS A 124 37.153 20.568 24.779 1.00 20.47 H new ATOM 1018 N LEU A 125 37.425 24.490 28.440 1.00 19.87 N ATOM 1019 CA LEU A 125 37.208 23.606 29.582 1.00 21.53 C ATOM 1020 C LEU A 125 35.931 23.985 30.321 1.00 23.55 C ATOM 1021 O LEU A 125 35.086 23.135 30.629 1.00 22.36 O ATOM 1022 CB LEU A 125 38.386 23.683 30.556 1.00 23.71 C ATOM 1023 CG LEU A 125 38.177 22.831 31.811 1.00 26.36 C ATOM 1024 CD1 LEU A 125 38.340 21.351 31.473 1.00 21.99 C ATOM 1025 CD2 LEU A 125 39.105 23.239 32.930 1.00 28.18 C ATOM 0 H LEU A 125 38.164 24.929 28.464 1.00 19.87 H new ATOM 0 HA LEU A 125 37.128 22.701 29.242 1.00 21.53 H new ATOM 0 HB2 LEU A 125 39.193 23.392 30.104 1.00 23.71 H new ATOM 0 HB3 LEU A 125 38.524 24.607 30.817 1.00 23.71 H new ATOM 0 HG LEU A 125 37.272 22.981 32.127 1.00 26.36 H new ATOM 0 HD11 LEU A 125 38.206 20.819 32.273 1.00 21.99 H new ATOM 0 HD12 LEU A 125 37.685 21.098 30.804 1.00 21.99 H new ATOM 0 HD13 LEU A 125 39.233 21.194 31.127 1.00 21.99 H new ATOM 0 HD21 LEU A 125 38.943 22.679 33.705 1.00 28.18 H new ATOM 0 HD22 LEU A 125 40.025 23.134 32.642 1.00 28.18 H new ATOM 0 HD23 LEU A 125 38.943 24.167 33.163 1.00 28.18 H new ATOM 1026 N CYS A 126 35.805 25.271 30.621 1.00 22.93 N ATOM 1027 CA CYS A 126 34.647 25.762 31.351 1.00 24.31 C ATOM 1028 C CYS A 126 33.339 25.431 30.635 1.00 25.55 C ATOM 1029 O CYS A 126 32.403 24.930 31.256 1.00 26.15 O ATOM 1030 CB CYS A 126 34.784 27.259 31.646 1.00 28.26 C ATOM 1031 SG CYS A 126 36.060 27.584 32.909 1.00 33.93 S ATOM 0 H CYS A 126 36.379 25.875 30.411 1.00 22.93 H new ATOM 0 HA CYS A 126 34.615 25.299 32.203 1.00 24.31 H new ATOM 0 HB2 CYS A 126 35.009 27.731 30.829 1.00 28.26 H new ATOM 0 HB3 CYS A 126 33.932 27.609 31.949 1.00 28.26 H new ATOM 0 HG CYS A 126 36.135 28.765 33.108 1.00 33.93 H new ATOM 1032 N ASP A 127 33.289 25.684 29.332 1.00 25.90 N ATOM 1033 CA ASP A 127 32.120 25.350 28.520 1.00 25.87 C ATOM 1034 C ASP A 127 31.847 23.841 28.475 1.00 29.18 C ATOM 1035 O ASP A 127 30.702 23.401 28.567 1.00 25.11 O ATOM 1036 CB ASP A 127 32.289 25.892 27.097 1.00 31.45 C ATOM 1037 CG ASP A 127 31.200 25.401 26.153 1.00 37.74 C ATOM 1038 OD1 ASP A 127 30.033 25.822 26.324 1.00 41.38 O ATOM 1039 OD2 ASP A 127 31.509 24.594 25.246 1.00 41.84 O ATOM 0 H ASP A 127 33.929 26.053 28.893 1.00 25.90 H new ATOM 0 HA ASP A 127 31.354 25.770 28.941 1.00 25.87 H new ATOM 0 HB2 ASP A 127 32.280 26.862 27.120 1.00 31.45 H new ATOM 0 HB3 ASP A 127 33.156 25.625 26.753 1.00 31.45 H new ATOM 1040 N PHE A 128 32.906 23.055 28.324 1.00 23.62 N ATOM 1041 CA PHE A 128 32.790 21.602 28.288 1.00 22.62 C ATOM 1042 C PHE A 128 32.114 21.075 29.555 1.00 25.34 C ATOM 1043 O PHE A 128 31.238 20.211 29.495 1.00 24.51 O ATOM 1044 CB PHE A 128 34.180 20.981 28.122 1.00 23.76 C ATOM 1045 CG PHE A 128 34.222 19.489 28.342 1.00 25.05 C ATOM 1046 CD1 PHE A 128 33.960 18.616 27.300 1.00 26.90 C ATOM 1047 CD2 PHE A 128 34.551 18.965 29.586 1.00 22.46 C ATOM 1048 CE1 PHE A 128 34.006 17.248 27.491 1.00 24.48 C ATOM 1049 CE2 PHE A 128 34.603 17.599 29.778 1.00 26.83 C ATOM 1050 CZ PHE A 128 34.327 16.743 28.728 1.00 22.14 C ATOM 0 H PHE A 128 33.710 23.347 28.240 1.00 23.62 H new ATOM 0 HA PHE A 128 32.236 21.352 27.532 1.00 22.62 H new ATOM 0 HB2 PHE A 128 34.505 21.175 27.229 1.00 23.76 H new ATOM 0 HB3 PHE A 128 34.790 21.407 28.745 1.00 23.76 H new ATOM 0 HD1 PHE A 128 33.750 18.955 26.460 1.00 26.90 H new ATOM 0 HD2 PHE A 128 34.737 19.538 30.294 1.00 22.46 H new ATOM 0 HE1 PHE A 128 33.820 16.672 26.785 1.00 24.48 H new ATOM 0 HE2 PHE A 128 34.824 17.255 30.613 1.00 26.83 H new ATOM 0 HZ PHE A 128 34.359 15.823 28.859 1.00 22.14 H new ATOM 1051 N LEU A 129 32.525 21.601 30.705 1.00 24.47 N ATOM 1052 CA LEU A 129 31.983 21.143 31.978 1.00 25.06 C ATOM 1053 C LEU A 129 30.532 21.572 32.129 1.00 25.24 C ATOM 1054 O LEU A 129 29.706 20.843 32.662 1.00 25.06 O ATOM 1055 CB LEU A 129 32.815 21.682 33.147 1.00 21.28 C ATOM 1056 CG LEU A 129 34.220 21.101 33.308 1.00 24.46 C ATOM 1057 CD1 LEU A 129 34.945 21.747 34.499 1.00 24.49 C ATOM 1058 CD2 LEU A 129 34.155 19.581 33.462 1.00 22.57 C ATOM 0 H LEU A 129 33.116 22.223 30.769 1.00 24.47 H new ATOM 0 HA LEU A 129 32.023 20.174 31.990 1.00 25.06 H new ATOM 0 HB2 LEU A 129 32.894 22.644 33.046 1.00 21.28 H new ATOM 0 HB3 LEU A 129 32.324 21.522 33.968 1.00 21.28 H new ATOM 0 HG LEU A 129 34.729 21.302 32.507 1.00 24.46 H new ATOM 0 HD11 LEU A 129 35.833 21.365 34.584 1.00 24.49 H new ATOM 0 HD12 LEU A 129 35.017 22.703 34.354 1.00 24.49 H new ATOM 0 HD13 LEU A 129 34.443 21.581 35.312 1.00 24.49 H new ATOM 0 HD21 LEU A 129 35.052 19.227 33.563 1.00 22.57 H new ATOM 0 HD22 LEU A 129 33.629 19.357 34.246 1.00 22.57 H new ATOM 0 HD23 LEU A 129 33.742 19.193 32.675 1.00 22.57 H new ATOM 1059 N GLU A 130 30.233 22.773 31.662 1.00 27.48 N ATOM 1060 CA GLU A 130 28.906 23.333 31.821 1.00 31.40 C ATOM 1061 C GLU A 130 27.880 22.593 30.983 1.00 34.93 C ATOM 1062 O GLU A 130 26.770 22.321 31.448 1.00 38.16 O ATOM 1063 CB GLU A 130 28.923 24.820 31.473 1.00 31.00 C ATOM 1064 CG GLU A 130 29.725 25.641 32.468 1.00 29.06 C ATOM 1065 CD GLU A 130 29.989 27.041 31.972 1.00 32.52 C ATOM 1066 OE1 GLU A 130 29.422 27.406 30.923 1.00 36.70 O ATOM 1067 OE2 GLU A 130 30.765 27.763 32.622 1.00 28.52 O ATOM 0 H GLU A 130 30.789 23.282 31.248 1.00 27.48 H new ATOM 0 HA GLU A 130 28.644 23.229 32.749 1.00 31.40 H new ATOM 0 HB2 GLU A 130 29.297 24.937 30.586 1.00 31.00 H new ATOM 0 HB3 GLU A 130 28.012 25.153 31.443 1.00 31.00 H new ATOM 0 HG2 GLU A 130 29.246 25.683 33.310 1.00 29.06 H new ATOM 0 HG3 GLU A 130 30.570 25.198 32.644 1.00 29.06 H new ATOM 1068 N SER A 131 28.255 22.248 29.757 1.00 35.39 N ATOM 1069 CA SER A 131 27.298 21.642 28.838 1.00 38.65 C ATOM 1070 C SER A 131 27.109 20.130 29.021 1.00 37.59 C ATOM 1071 O SER A 131 26.069 19.587 28.643 1.00 36.54 O ATOM 1072 CB SER A 131 27.629 21.990 27.376 1.00 39.27 C ATOM 1073 OG SER A 131 28.906 21.516 26.994 1.00 45.95 O ATOM 0 H SER A 131 29.047 22.354 29.440 1.00 35.39 H new ATOM 0 HA SER A 131 26.442 22.035 29.068 1.00 38.65 H new ATOM 0 HB2 SER A 131 26.955 21.607 26.793 1.00 39.27 H new ATOM 0 HB3 SER A 131 27.593 22.952 27.257 1.00 39.27 H new ATOM 0 HG SER A 131 29.500 21.972 27.374 1.00 45.95 H new ATOM 1074 N HIS A 132 28.095 19.452 29.610 1.00 31.46 N ATOM 1075 CA HIS A 132 28.027 17.990 29.716 1.00 34.25 C ATOM 1076 C HIS A 132 28.017 17.399 31.133 1.00 32.39 C ATOM 1077 O HIS A 132 27.769 16.201 31.302 1.00 30.90 O ATOM 1078 CB HIS A 132 29.154 17.349 28.902 1.00 32.85 C ATOM 1079 CG HIS A 132 29.179 17.784 27.471 1.00 42.29 C ATOM 1080 ND1 HIS A 132 28.152 17.507 26.591 1.00 45.62 N ATOM 1081 CD2 HIS A 132 30.096 18.491 26.769 1.00 38.36 C ATOM 1082 CE1 HIS A 132 28.440 18.020 25.407 1.00 46.14 C ATOM 1083 NE2 HIS A 132 29.614 18.622 25.488 1.00 46.74 N ATOM 0 H HIS A 132 28.800 19.810 29.949 1.00 31.46 H new ATOM 0 HA HIS A 132 27.153 17.773 29.357 1.00 34.25 H new ATOM 0 HB2 HIS A 132 30.005 17.567 29.314 1.00 32.85 H new ATOM 0 HB3 HIS A 132 29.061 16.384 28.938 1.00 32.85 H new ATOM 0 HD1 HIS A 132 27.437 17.069 26.783 1.00 45.62 H new ATOM 0 HD2 HIS A 132 30.901 18.825 27.093 1.00 38.36 H new ATOM 0 HE1 HIS A 132 27.907 17.966 24.647 1.00 46.14 H new ATOM 1084 N PHE A 133 28.291 18.213 32.146 1.00 22.09 N ATOM 1085 CA PHE A 133 28.430 17.670 33.495 1.00 20.27 C ATOM 1086 C PHE A 133 27.664 18.449 34.550 1.00 23.77 C ATOM 1087 O PHE A 133 26.988 17.855 35.383 1.00 19.04 O ATOM 1088 CB PHE A 133 29.903 17.584 33.906 1.00 22.33 C ATOM 1089 CG PHE A 133 30.696 16.587 33.108 1.00 24.25 C ATOM 1090 CD1 PHE A 133 30.952 15.326 33.608 1.00 25.07 C ATOM 1091 CD2 PHE A 133 31.171 16.909 31.852 1.00 23.29 C ATOM 1092 CE1 PHE A 133 31.672 14.400 32.879 1.00 22.40 C ATOM 1093 CE2 PHE A 133 31.889 15.984 31.112 1.00 29.13 C ATOM 1094 CZ PHE A 133 32.137 14.726 31.632 1.00 22.37 C ATOM 0 H PHE A 133 28.398 19.064 32.079 1.00 22.09 H new ATOM 0 HA PHE A 133 28.042 16.782 33.453 1.00 20.27 H new ATOM 0 HB2 PHE A 133 30.309 18.460 33.810 1.00 22.33 H new ATOM 0 HB3 PHE A 133 29.955 17.349 34.846 1.00 22.33 H new ATOM 0 HD1 PHE A 133 30.634 15.096 34.451 1.00 25.07 H new ATOM 0 HD2 PHE A 133 31.007 17.754 31.500 1.00 23.29 H new ATOM 0 HE1 PHE A 133 31.841 13.557 33.234 1.00 22.40 H new ATOM 0 HE2 PHE A 133 32.204 16.208 30.266 1.00 29.13 H new ATOM 0 HZ PHE A 133 32.618 14.103 31.136 1.00 22.37 H new ATOM 1095 N LEU A 134 27.782 19.773 34.536 1.00 22.74 N ATOM 1096 CA LEU A 134 27.202 20.567 35.623 1.00 23.00 C ATOM 1097 C LEU A 134 25.688 20.410 35.716 1.00 19.58 C ATOM 1098 O LEU A 134 25.160 20.165 36.793 1.00 18.37 O ATOM 1099 CB LEU A 134 27.581 22.050 35.513 1.00 23.03 C ATOM 1100 CG LEU A 134 29.069 22.366 35.617 1.00 26.66 C ATOM 1101 CD1 LEU A 134 29.279 23.879 35.586 1.00 28.25 C ATOM 1102 CD2 LEU A 134 29.661 21.772 36.882 1.00 23.48 C ATOM 0 H LEU A 134 28.183 20.225 33.924 1.00 22.74 H new ATOM 0 HA LEU A 134 27.584 20.216 36.443 1.00 23.00 H new ATOM 0 HB2 LEU A 134 27.255 22.387 34.664 1.00 23.03 H new ATOM 0 HB3 LEU A 134 27.115 22.538 36.210 1.00 23.03 H new ATOM 0 HG LEU A 134 29.525 21.968 34.859 1.00 26.66 H new ATOM 0 HD11 LEU A 134 30.227 24.076 35.652 1.00 28.25 H new ATOM 0 HD12 LEU A 134 28.932 24.237 34.754 1.00 28.25 H new ATOM 0 HD13 LEU A 134 28.812 24.286 36.332 1.00 28.25 H new ATOM 0 HD21 LEU A 134 30.606 21.985 36.928 1.00 23.48 H new ATOM 0 HD22 LEU A 134 29.209 22.142 37.656 1.00 23.48 H new ATOM 0 HD23 LEU A 134 29.547 20.809 36.872 1.00 23.48 H new ATOM 1103 N ASP A 135 24.974 20.546 34.604 1.00 21.90 N ATOM 1104 CA ASP A 135 23.514 20.445 34.699 1.00 23.75 C ATOM 1105 C ASP A 135 23.065 19.013 34.947 1.00 22.22 C ATOM 1106 O ASP A 135 22.078 18.782 35.638 1.00 20.40 O ATOM 1107 CB ASP A 135 22.788 21.030 33.481 1.00 27.26 C ATOM 1108 CG ASP A 135 21.265 21.152 33.705 1.00 34.41 C ATOM 1109 OD1 ASP A 135 20.830 21.495 34.838 1.00 28.35 O ATOM 1110 OD2 ASP A 135 20.498 20.897 32.748 1.00 35.90 O ATOM 0 H ASP A 135 25.292 20.690 33.818 1.00 21.90 H new ATOM 0 HA ASP A 135 23.264 20.986 35.465 1.00 23.75 H new ATOM 0 HB2 ASP A 135 23.154 21.906 33.280 1.00 27.26 H new ATOM 0 HB3 ASP A 135 22.955 20.468 32.708 1.00 27.26 H new ATOM 1111 N GLU A 136 23.785 18.049 34.382 1.00 20.47 N ATOM 1112 CA GLU A 136 23.472 16.650 34.636 1.00 21.03 C ATOM 1113 C GLU A 136 23.577 16.327 36.131 1.00 22.06 C ATOM 1114 O GLU A 136 22.736 15.597 36.676 1.00 20.23 O ATOM 1115 CB GLU A 136 24.370 15.724 33.801 1.00 23.68 C ATOM 0 H GLU A 136 24.451 18.182 33.855 1.00 20.47 H new ATOM 0 HA GLU A 136 22.554 16.494 34.364 1.00 21.03 H new ATOM 1116 N GLU A 137 24.599 16.866 36.798 1.00 19.64 N ATOM 1117 CA GLU A 137 24.739 16.661 38.238 1.00 19.66 C ATOM 1118 C GLU A 137 23.600 17.303 38.993 1.00 17.91 C ATOM 1119 O GLU A 137 23.010 16.674 39.869 1.00 16.64 O ATOM 1120 CB GLU A 137 26.063 17.204 38.790 1.00 21.56 C ATOM 1121 CG GLU A 137 27.246 16.291 38.597 1.00 24.56 C ATOM 1122 CD GLU A 137 27.004 14.867 39.097 1.00 22.65 C ATOM 1123 OE1 GLU A 137 26.572 14.670 40.262 1.00 21.62 O ATOM 1124 OE2 GLU A 137 27.260 13.946 38.305 1.00 25.03 O ATOM 0 H GLU A 137 25.214 17.348 36.439 1.00 19.64 H new ATOM 0 HA GLU A 137 24.725 15.700 38.369 1.00 19.66 H new ATOM 0 HB2 GLU A 137 26.253 18.054 38.363 1.00 21.56 H new ATOM 0 HB3 GLU A 137 25.957 17.380 39.738 1.00 21.56 H new ATOM 0 HG2 GLU A 137 27.472 16.261 37.654 1.00 24.56 H new ATOM 0 HG3 GLU A 137 28.012 16.663 39.061 1.00 24.56 H new ATOM 1125 N VAL A 138 23.298 18.562 38.676 1.00 18.09 N ATOM 1126 CA VAL A 138 22.187 19.232 39.346 1.00 17.40 C ATOM 1127 C VAL A 138 20.886 18.437 39.199 1.00 16.59 C ATOM 1128 O VAL A 138 20.173 18.226 40.183 1.00 17.16 O ATOM 1129 CB VAL A 138 22.011 20.704 38.872 1.00 18.15 C ATOM 1130 CG1 VAL A 138 20.595 21.211 39.161 1.00 16.04 C ATOM 1131 CG2 VAL A 138 23.042 21.593 39.553 1.00 18.05 C ATOM 0 H VAL A 138 23.713 19.035 38.090 1.00 18.09 H new ATOM 0 HA VAL A 138 22.408 19.267 40.290 1.00 17.40 H new ATOM 0 HB VAL A 138 22.148 20.735 37.912 1.00 18.15 H new ATOM 0 HG11 VAL A 138 20.511 22.128 38.857 1.00 16.04 H new ATOM 0 HG12 VAL A 138 19.951 20.656 38.694 1.00 16.04 H new ATOM 0 HG13 VAL A 138 20.425 21.170 40.115 1.00 16.04 H new ATOM 0 HG21 VAL A 138 22.928 22.509 39.254 1.00 18.05 H new ATOM 0 HG22 VAL A 138 22.922 21.550 40.515 1.00 18.05 H new ATOM 0 HG23 VAL A 138 23.934 21.288 39.325 1.00 18.05 H new ATOM 1132 N LYS A 139 20.589 17.969 37.985 1.00 17.81 N ATOM 1133 CA LYS A 139 19.366 17.183 37.754 1.00 18.11 C ATOM 1134 C LYS A 139 19.356 15.875 38.547 1.00 18.47 C ATOM 1135 O LYS A 139 18.356 15.527 39.174 1.00 16.07 O ATOM 1136 CB LYS A 139 19.172 16.877 36.264 1.00 21.81 C ATOM 1137 CG LYS A 139 18.746 18.071 35.435 1.00 26.92 C ATOM 1138 CD LYS A 139 18.739 17.731 33.949 1.00 35.93 C ATOM 1139 CE LYS A 139 17.890 16.489 33.675 1.00 45.20 C ATOM 1140 NZ LYS A 139 17.997 16.006 32.260 1.00 51.61 N ATOM 0 H LYS A 139 21.075 18.092 37.286 1.00 17.81 H new ATOM 0 HA LYS A 139 18.630 17.732 38.067 1.00 18.11 H new ATOM 0 HB2 LYS A 139 20.002 16.527 35.905 1.00 21.81 H new ATOM 0 HB3 LYS A 139 18.506 16.178 36.172 1.00 21.81 H new ATOM 0 HG2 LYS A 139 17.861 18.359 35.708 1.00 26.92 H new ATOM 0 HG3 LYS A 139 19.349 18.813 35.597 1.00 26.92 H new ATOM 0 HD2 LYS A 139 18.392 18.482 33.443 1.00 35.93 H new ATOM 0 HD3 LYS A 139 19.647 17.580 33.644 1.00 35.93 H new ATOM 0 HE2 LYS A 139 18.163 15.778 34.276 1.00 45.20 H new ATOM 0 HE3 LYS A 139 16.962 16.688 33.874 1.00 45.20 H new ATOM 0 HZ1 LYS A 139 17.487 15.285 32.153 1.00 51.61 H new ATOM 0 HZ2 LYS A 139 17.724 16.647 31.706 1.00 51.61 H new ATOM 0 HZ3 LYS A 139 18.844 15.799 32.080 1.00 51.61 H new ATOM 1141 N LEU A 140 20.470 15.153 38.520 1.00 16.79 N ATOM 1142 CA LEU A 140 20.565 13.883 39.235 1.00 17.11 C ATOM 1143 C LEU A 140 20.448 14.060 40.752 1.00 17.05 C ATOM 1144 O LEU A 140 19.770 13.280 41.443 1.00 16.29 O ATOM 1145 CB LEU A 140 21.865 13.155 38.878 1.00 18.25 C ATOM 1146 CG LEU A 140 22.012 11.778 39.558 1.00 20.16 C ATOM 1147 CD1 LEU A 140 20.839 10.849 39.225 1.00 19.62 C ATOM 1148 CD2 LEU A 140 23.336 11.104 39.202 1.00 21.82 C ATOM 0 H LEU A 140 21.182 15.379 38.094 1.00 16.79 H new ATOM 0 HA LEU A 140 19.813 13.341 38.950 1.00 17.11 H new ATOM 0 HB2 LEU A 140 21.907 13.038 37.916 1.00 18.25 H new ATOM 0 HB3 LEU A 140 22.618 13.713 39.129 1.00 18.25 H new ATOM 0 HG LEU A 140 22.005 11.944 40.514 1.00 20.16 H new ATOM 0 HD11 LEU A 140 20.966 9.996 39.669 1.00 19.62 H new ATOM 0 HD12 LEU A 140 20.011 11.251 39.530 1.00 19.62 H new ATOM 0 HD13 LEU A 140 20.797 10.711 38.266 1.00 19.62 H new ATOM 0 HD21 LEU A 140 23.391 10.244 39.647 1.00 21.82 H new ATOM 0 HD22 LEU A 140 23.386 10.975 38.242 1.00 21.82 H new ATOM 0 HD23 LEU A 140 24.073 11.665 39.491 1.00 21.82 H new ATOM 1149 N ILE A 141 21.109 15.082 41.283 1.00 14.90 N ATOM 1150 CA ILE A 141 20.997 15.364 42.708 1.00 15.13 C ATOM 1151 C ILE A 141 19.573 15.759 43.120 1.00 16.66 C ATOM 1152 O ILE A 141 19.105 15.347 44.181 1.00 14.60 O ATOM 1153 CB ILE A 141 22.030 16.410 43.173 1.00 15.93 C ATOM 1154 CG1 ILE A 141 23.443 15.820 43.049 1.00 13.71 C ATOM 1155 CG2 ILE A 141 21.776 16.816 44.619 1.00 16.71 C ATOM 1156 CD1 ILE A 141 24.563 16.867 43.133 1.00 16.08 C ATOM 0 H ILE A 141 21.620 15.617 40.844 1.00 14.90 H new ATOM 0 HA ILE A 141 21.200 14.533 43.165 1.00 15.13 H new ATOM 0 HB ILE A 141 21.948 17.197 42.612 1.00 15.93 H new ATOM 0 HG12 ILE A 141 23.573 15.163 43.751 1.00 13.71 H new ATOM 0 HG13 ILE A 141 23.515 15.350 42.204 1.00 13.71 H new ATOM 0 HG21 ILE A 141 22.435 17.473 44.891 1.00 16.71 H new ATOM 0 HG22 ILE A 141 20.888 17.198 44.697 1.00 16.71 H new ATOM 0 HG23 ILE A 141 21.843 16.035 45.191 1.00 16.71 H new ATOM 0 HD11 ILE A 141 25.424 16.428 43.048 1.00 16.08 H new ATOM 0 HD12 ILE A 141 24.457 17.512 42.417 1.00 16.08 H new ATOM 0 HD13 ILE A 141 24.516 17.323 43.988 1.00 16.08 H new ATOM 1157 N LYS A 142 18.882 16.535 42.285 1.00 15.58 N ATOM 1158 CA LYS A 142 17.483 16.863 42.561 1.00 16.02 C ATOM 1159 C LYS A 142 16.634 15.589 42.626 1.00 16.12 C ATOM 1160 O LYS A 142 15.814 15.414 43.529 1.00 15.30 O ATOM 1161 CB LYS A 142 16.919 17.813 41.494 1.00 16.47 C ATOM 1162 CG LYS A 142 15.406 18.107 41.613 1.00 15.57 C ATOM 1163 CD LYS A 142 15.022 18.684 42.976 1.00 13.09 C ATOM 1164 CE LYS A 142 13.660 19.396 42.938 1.00 15.66 C ATOM 1165 NZ LYS A 142 12.520 18.501 42.534 1.00 16.24 N ATOM 0 H LYS A 142 19.199 16.878 41.563 1.00 15.58 H new ATOM 0 HA LYS A 142 17.447 17.310 43.421 1.00 16.02 H new ATOM 0 HB2 LYS A 142 17.402 18.653 41.540 1.00 16.47 H new ATOM 0 HB3 LYS A 142 17.093 17.434 40.618 1.00 16.47 H new ATOM 0 HG2 LYS A 142 15.146 18.731 40.917 1.00 15.57 H new ATOM 0 HG3 LYS A 142 14.908 17.288 41.461 1.00 15.57 H new ATOM 0 HD2 LYS A 142 14.995 17.970 43.632 1.00 13.09 H new ATOM 0 HD3 LYS A 142 15.705 19.309 43.265 1.00 13.09 H new ATOM 0 HE2 LYS A 142 13.474 19.768 43.814 1.00 15.66 H new ATOM 0 HE3 LYS A 142 13.711 20.141 42.319 1.00 15.66 H new ATOM 0 HZ1 LYS A 142 11.748 18.918 42.683 1.00 16.24 H new ATOM 0 HZ2 LYS A 142 12.589 18.305 41.669 1.00 16.24 H new ATOM 0 HZ3 LYS A 142 12.548 17.750 43.011 1.00 16.24 H new ATOM 1166 N LYS A 143 16.842 14.703 41.662 1.00 16.10 N ATOM 1167 CA LYS A 143 16.113 13.437 41.603 1.00 18.80 C ATOM 1168 C LYS A 143 16.390 12.556 42.836 1.00 15.90 C ATOM 1169 O LYS A 143 15.482 11.959 43.404 1.00 14.22 O ATOM 1170 CB LYS A 143 16.480 12.669 40.332 1.00 18.68 C ATOM 1171 CG LYS A 143 15.717 11.349 40.198 1.00 23.14 C ATOM 1172 CD LYS A 143 16.369 10.427 39.187 1.00 27.73 C ATOM 1173 CE LYS A 143 16.132 10.925 37.781 1.00 35.02 C ATOM 1174 NZ LYS A 143 14.679 11.071 37.516 1.00 36.61 N ATOM 0 H LYS A 143 17.407 14.815 41.024 1.00 16.10 H new ATOM 0 HA LYS A 143 15.167 13.651 41.593 1.00 18.80 H new ATOM 0 HB2 LYS A 143 16.296 13.225 39.558 1.00 18.68 H new ATOM 0 HB3 LYS A 143 17.433 12.489 40.331 1.00 18.68 H new ATOM 0 HG2 LYS A 143 15.678 10.908 41.061 1.00 23.14 H new ATOM 0 HG3 LYS A 143 14.802 11.529 39.930 1.00 23.14 H new ATOM 0 HD2 LYS A 143 17.322 10.372 39.359 1.00 27.73 H new ATOM 0 HD3 LYS A 143 16.012 9.530 39.282 1.00 27.73 H new ATOM 0 HE2 LYS A 143 16.576 11.778 37.656 1.00 35.02 H new ATOM 0 HE3 LYS A 143 16.521 10.306 37.144 1.00 35.02 H new ATOM 0 HZ1 LYS A 143 14.505 10.835 36.676 1.00 36.61 H new ATOM 0 HZ2 LYS A 143 14.222 10.547 38.072 1.00 36.61 H new ATOM 0 HZ3 LYS A 143 14.438 11.918 37.642 1.00 36.61 H new ATOM 1175 N MET A 144 17.645 12.488 43.254 1.00 13.31 N ATOM 1176 CA MET A 144 17.987 11.704 44.432 1.00 16.90 C ATOM 1177 C MET A 144 17.364 12.278 45.680 1.00 16.99 C ATOM 1178 O MET A 144 16.948 11.535 46.555 1.00 16.41 O ATOM 1179 CB MET A 144 19.495 11.609 44.608 1.00 15.33 C ATOM 1180 CG MET A 144 20.118 10.678 43.612 1.00 19.00 C ATOM 1181 SD MET A 144 21.889 10.613 43.853 1.00 22.50 S ATOM 1182 CE MET A 144 22.287 9.380 42.628 1.00 18.56 C ATOM 0 H MET A 144 18.308 12.883 42.875 1.00 13.31 H new ATOM 0 HA MET A 144 17.630 10.813 44.293 1.00 16.90 H new ATOM 0 HB2 MET A 144 19.887 12.491 44.514 1.00 15.33 H new ATOM 0 HB3 MET A 144 19.697 11.303 45.506 1.00 15.33 H new ATOM 0 HG2 MET A 144 19.739 9.790 43.708 1.00 19.00 H new ATOM 0 HG3 MET A 144 19.918 10.976 42.711 1.00 19.00 H new ATOM 0 HE1 MET A 144 23.197 9.071 42.763 1.00 18.56 H new ATOM 0 HE2 MET A 144 21.676 8.631 42.712 1.00 18.56 H new ATOM 0 HE3 MET A 144 22.205 9.766 41.742 1.00 18.56 H new ATOM 1183 N GLY A 145 17.314 13.607 45.758 1.00 15.01 N ATOM 1184 CA GLY A 145 16.685 14.277 46.874 1.00 16.41 C ATOM 1185 C GLY A 145 15.205 13.973 46.925 1.00 16.41 C ATOM 1186 O GLY A 145 14.659 13.688 47.996 1.00 14.67 O ATOM 0 H GLY A 145 17.644 14.136 45.165 1.00 15.01 H new ATOM 0 HA2 GLY A 145 17.105 13.996 47.702 1.00 16.41 H new ATOM 0 HA3 GLY A 145 16.819 15.235 46.798 1.00 16.41 H new ATOM 1187 N ASP A 146 14.554 14.041 45.768 1.00 16.39 N ATOM 1188 CA ASP A 146 13.149 13.644 45.646 1.00 14.46 C ATOM 1189 C ASP A 146 12.927 12.203 46.129 1.00 15.53 C ATOM 1190 O ASP A 146 11.980 11.931 46.868 1.00 14.61 O ATOM 1191 CB ASP A 146 12.674 13.742 44.193 1.00 13.50 C ATOM 1192 CG ASP A 146 12.632 15.168 43.670 1.00 18.12 C ATOM 1193 OD1 ASP A 146 12.681 16.117 44.476 1.00 15.39 O ATOM 1194 OD2 ASP A 146 12.531 15.333 42.432 1.00 20.23 O ATOM 0 H ASP A 146 14.909 14.316 45.035 1.00 16.39 H new ATOM 0 HA ASP A 146 12.639 14.254 46.203 1.00 14.46 H new ATOM 0 HB2 ASP A 146 13.263 13.215 43.630 1.00 13.50 H new ATOM 0 HB3 ASP A 146 11.789 13.352 44.121 1.00 13.50 H new ATOM 1195 N HIS A 147 13.785 11.281 45.691 1.00 15.74 N ATOM 1196 CA HIS A 147 13.672 9.877 46.106 1.00 17.72 C ATOM 1197 C HIS A 147 13.839 9.721 47.613 1.00 17.31 C ATOM 1198 O HIS A 147 13.047 9.036 48.272 1.00 15.00 O ATOM 1199 CB HIS A 147 14.684 8.988 45.368 1.00 15.02 C ATOM 1200 CG HIS A 147 14.367 8.776 43.919 1.00 17.17 C ATOM 1201 ND1 HIS A 147 13.142 9.087 43.367 1.00 16.09 N ATOM 1202 CD2 HIS A 147 15.117 8.276 42.908 1.00 18.22 C ATOM 1203 CE1 HIS A 147 13.157 8.803 42.078 1.00 20.83 C ATOM 1204 NE2 HIS A 147 14.342 8.302 41.775 1.00 19.83 N ATOM 0 H HIS A 147 14.438 11.445 45.155 1.00 15.74 H new ATOM 0 HA HIS A 147 12.778 9.586 45.867 1.00 17.72 H new ATOM 0 HB2 HIS A 147 15.565 9.387 45.442 1.00 15.02 H new ATOM 0 HB3 HIS A 147 14.725 8.126 45.810 1.00 15.02 H new ATOM 0 HD1 HIS A 147 12.473 9.415 43.796 1.00 16.09 H new ATOM 0 HD2 HIS A 147 15.994 7.972 42.970 1.00 18.22 H new ATOM 0 HE1 HIS A 147 12.453 8.933 41.484 1.00 20.83 H new ATOM 1205 N LEU A 148 14.870 10.359 48.160 1.00 15.81 N ATOM 1206 CA ALEU A 148 15.114 10.318 49.593 0.58 17.27 C ATOM 1207 CA BLEU A 148 15.111 10.320 49.599 0.42 17.28 C ATOM 1208 C LEU A 148 13.886 10.790 50.372 1.00 19.40 C ATOM 1209 O LEU A 148 13.491 10.178 51.363 1.00 17.04 O ATOM 1210 CB ALEU A 148 16.326 11.191 49.945 0.58 18.08 C ATOM 1211 CB BLEU A 148 16.320 11.186 49.983 0.42 18.14 C ATOM 1212 CG ALEU A 148 16.779 11.135 51.399 0.58 18.01 C ATOM 1213 CG BLEU A 148 17.702 10.535 50.005 0.42 17.88 C ATOM 1214 CD1ALEU A 148 17.276 9.746 51.719 0.58 19.84 C ATOM 1215 CD1BLEU A 148 18.699 11.465 50.681 0.42 19.54 C ATOM 1216 CD2ALEU A 148 17.872 12.144 51.663 0.58 24.26 C ATOM 1217 CD2BLEU A 148 17.649 9.208 50.736 0.42 19.10 C ATOM 0 H ALEU A 148 15.441 10.823 47.714 0.58 15.81 H new ATOM 0 H BLEU A 148 15.442 10.821 47.714 0.42 15.81 H new ATOM 0 HA ALEU A 148 15.298 9.399 49.843 0.58 17.28 H new ATOM 0 HA BLEU A 148 15.298 9.397 49.833 0.42 17.28 H new ATOM 0 HB2ALEU A 148 17.070 10.926 49.381 0.58 18.14 H new ATOM 0 HB2BLEU A 148 16.355 11.934 49.366 0.42 18.14 H new ATOM 0 HB3ALEU A 148 16.116 12.112 49.724 0.58 18.14 H new ATOM 0 HB3BLEU A 148 16.152 11.553 50.865 0.42 18.14 H new ATOM 0 HG ALEU A 148 16.023 11.351 51.967 0.58 17.88 H new ATOM 0 HG BLEU A 148 17.987 10.373 49.092 0.42 17.88 H new ATOM 0 HD11ALEU A 148 17.564 9.710 52.644 0.58 19.54 H new ATOM 0 HD11BLEU A 148 19.575 11.048 50.693 0.42 19.54 H new ATOM 0 HD12ALEU A 148 16.561 9.106 51.579 0.58 19.54 H new ATOM 0 HD12BLEU A 148 18.746 12.301 50.191 0.42 19.54 H new ATOM 0 HD13ALEU A 148 18.023 9.528 51.140 0.58 19.54 H new ATOM 0 HD13BLEU A 148 18.413 11.640 51.591 0.42 19.54 H new ATOM 0 HD21ALEU A 148 18.144 12.091 52.592 0.58 19.10 H new ATOM 0 HD21BLEU A 148 18.532 8.806 50.742 0.42 19.10 H new ATOM 0 HD22ALEU A 148 18.633 11.954 51.092 0.58 19.10 H new ATOM 0 HD22BLEU A 148 17.353 9.353 51.648 0.42 19.10 H new ATOM 0 HD23ALEU A 148 17.542 13.036 51.474 0.58 19.10 H new ATOM 0 HD23BLEU A 148 17.028 8.615 50.286 0.42 19.10 H new ATOM 1218 N THR A 149 13.283 11.884 49.919 1.00 18.81 N ATOM 1219 CA THR A 149 12.104 12.428 50.587 1.00 15.85 C ATOM 1220 C THR A 149 10.942 11.436 50.577 1.00 16.12 C ATOM 1221 O THR A 149 10.280 11.234 51.589 1.00 16.27 O ATOM 1222 CB THR A 149 11.684 13.789 49.962 1.00 16.28 C ATOM 1223 OG1 THR A 149 12.661 14.771 50.306 1.00 18.08 O ATOM 1224 CG2 THR A 149 10.341 14.240 50.473 1.00 15.81 C ATOM 0 H THR A 149 13.540 12.326 49.228 1.00 18.81 H new ATOM 0 HA THR A 149 12.343 12.585 51.514 1.00 15.85 H new ATOM 0 HB THR A 149 11.623 13.679 49.000 1.00 16.28 H new ATOM 0 HG1 THR A 149 12.445 15.511 49.972 1.00 18.08 H new ATOM 0 HG21 THR A 149 10.108 15.089 50.066 1.00 15.81 H new ATOM 0 HG22 THR A 149 9.669 13.578 50.246 1.00 15.81 H new ATOM 0 HG23 THR A 149 10.379 14.344 51.437 1.00 15.81 H new ATOM 1225 N ASN A 150 10.708 10.809 49.434 1.00 17.59 N ATOM 1226 CA ASN A 150 9.671 9.784 49.327 1.00 17.30 C ATOM 1227 C ASN A 150 9.951 8.513 50.125 1.00 17.43 C ATOM 1228 O ASN A 150 9.069 7.979 50.791 1.00 17.84 O ATOM 1229 CB ASN A 150 9.401 9.459 47.860 1.00 14.51 C ATOM 1230 CG ASN A 150 8.489 10.482 47.212 1.00 18.44 C ATOM 1231 OD1 ASN A 150 7.280 10.411 47.375 1.00 18.68 O ATOM 1232 ND2 ASN A 150 9.068 11.451 46.493 1.00 16.00 N ATOM 0 H ASN A 150 11.138 10.960 48.705 1.00 17.59 H new ATOM 0 HA ASN A 150 8.877 10.166 49.732 1.00 17.30 H new ATOM 0 HB2 ASN A 150 10.241 9.424 47.377 1.00 14.51 H new ATOM 0 HB3 ASN A 150 8.998 8.579 47.793 1.00 14.51 H new ATOM 0 HD21 ASN A 150 8.585 12.058 46.122 1.00 16.00 H new ATOM 0 HD22 ASN A 150 9.923 11.466 46.402 1.00 16.00 H new ATOM 1233 N ILE A 151 11.187 8.039 50.079 1.00 16.69 N ATOM 1234 CA ILE A 151 11.573 6.903 50.907 1.00 16.89 C ATOM 1235 C ILE A 151 11.323 7.201 52.382 1.00 19.27 C ATOM 1236 O ILE A 151 10.749 6.378 53.110 1.00 19.55 O ATOM 1237 CB ILE A 151 13.057 6.526 50.676 1.00 19.58 C ATOM 1238 CG1 ILE A 151 13.269 6.051 49.234 1.00 17.15 C ATOM 1239 CG2 ILE A 151 13.511 5.472 51.683 1.00 22.07 C ATOM 1240 CD1 ILE A 151 14.738 5.932 48.839 1.00 16.67 C ATOM 0 H ILE A 151 11.813 8.355 49.581 1.00 16.69 H new ATOM 0 HA ILE A 151 11.025 6.146 50.648 1.00 16.89 H new ATOM 0 HB ILE A 151 13.603 7.316 50.814 1.00 19.58 H new ATOM 0 HG12 ILE A 151 12.840 5.188 49.119 1.00 17.15 H new ATOM 0 HG13 ILE A 151 12.829 6.669 48.630 1.00 17.15 H new ATOM 0 HG21 ILE A 151 14.441 5.250 51.522 1.00 22.07 H new ATOM 0 HG22 ILE A 151 13.413 5.821 52.583 1.00 22.07 H new ATOM 0 HG23 ILE A 151 12.967 4.675 51.585 1.00 22.07 H new ATOM 0 HD11 ILE A 151 14.803 5.629 47.920 1.00 16.67 H new ATOM 0 HD12 ILE A 151 15.167 6.798 48.924 1.00 16.67 H new ATOM 0 HD13 ILE A 151 15.179 5.294 49.421 1.00 16.67 H new ATOM 1241 N GLN A 152 11.751 8.380 52.830 1.00 19.77 N ATOM 1242 CA GLN A 152 11.596 8.763 54.234 1.00 21.10 C ATOM 1243 C GLN A 152 10.128 8.852 54.644 1.00 24.21 C ATOM 1244 O GLN A 152 9.757 8.453 55.748 1.00 25.28 O ATOM 1245 CB GLN A 152 12.331 10.081 54.533 1.00 21.86 C ATOM 1246 CG GLN A 152 13.861 9.948 54.451 1.00 27.00 C ATOM 1247 CD GLN A 152 14.584 11.288 54.436 1.00 34.89 C ATOM 1248 OE1 GLN A 152 14.086 12.276 53.882 1.00 36.38 O ATOM 1249 NE2 GLN A 152 15.768 11.328 55.044 1.00 35.03 N ATOM 0 H GLN A 152 12.134 8.973 52.338 1.00 19.77 H new ATOM 0 HA GLN A 152 12.002 8.061 54.767 1.00 21.10 H new ATOM 0 HB2 GLN A 152 12.036 10.759 53.905 1.00 21.86 H new ATOM 0 HB3 GLN A 152 12.085 10.389 55.419 1.00 21.86 H new ATOM 0 HG2 GLN A 152 14.175 9.427 55.207 1.00 27.00 H new ATOM 0 HG3 GLN A 152 14.094 9.453 53.650 1.00 27.00 H new ATOM 0 HE21 GLN A 152 16.083 10.621 55.419 1.00 35.03 H new ATOM 0 HE22 GLN A 152 16.218 12.061 55.062 1.00 35.03 H new ATOM 1250 N ARG A 153 9.286 9.371 53.761 1.00 21.72 N ATOM 1251 CA AARG A 153 7.874 9.481 54.102 0.58 22.88 C ATOM 1252 CA BARG A 153 7.859 9.484 54.032 0.42 22.88 C ATOM 1253 C ARG A 153 7.231 8.102 54.196 1.00 26.02 C ATOM 1254 O ARG A 153 6.229 7.932 54.880 1.00 26.59 O ATOM 1255 CB AARG A 153 7.108 10.410 53.145 0.58 22.56 C ATOM 1256 CB BARG A 153 7.188 10.259 52.895 0.42 22.40 C ATOM 1257 CG AARG A 153 6.896 9.888 51.735 0.58 20.76 C ATOM 1258 CG BARG A 153 5.721 10.575 53.103 0.42 22.47 C ATOM 1259 CD AARG A 153 5.689 10.570 51.087 0.58 20.08 C ATOM 1260 CD BARG A 153 5.333 11.838 52.352 0.42 20.70 C ATOM 1261 NE AARG A 153 5.655 12.006 51.354 0.58 19.37 N ATOM 1262 NE BARG A 153 5.850 11.824 50.988 0.42 19.37 N ATOM 1263 CZ AARG A 153 6.259 12.924 50.606 0.58 18.87 C ATOM 1264 CZ BARG A 153 6.264 12.903 50.334 0.42 18.89 C ATOM 1265 NH1AARG A 153 6.954 12.563 49.528 0.58 16.63 N ATOM 1266 NH1BARG A 153 6.217 14.094 50.921 0.42 17.90 N ATOM 1267 NH2AARG A 153 6.170 14.209 50.936 0.58 17.86 N ATOM 1268 NH2BARG A 153 6.731 12.792 49.093 0.42 16.20 N ATOM 0 H AARG A 153 9.502 9.658 52.980 0.58 21.72 H new ATOM 0 H BARG A 153 9.524 9.667 52.989 0.42 21.72 H new ATOM 0 HA AARG A 153 7.820 9.895 54.977 0.58 22.88 H new ATOM 0 HA BARG A 153 7.728 9.966 54.863 0.42 22.88 H new ATOM 0 HB2AARG A 153 6.240 10.600 53.534 0.58 22.40 H new ATOM 0 HB2BARG A 153 7.668 11.092 52.764 0.42 22.40 H new ATOM 0 HB3AARG A 153 7.585 11.253 53.090 0.58 22.40 H new ATOM 0 HB3BARG A 153 7.280 9.747 52.076 0.42 22.40 H new ATOM 0 HG2AARG A 153 7.690 10.049 51.202 0.58 22.47 H new ATOM 0 HG2BARG A 153 5.178 9.831 52.797 0.42 22.47 H new ATOM 0 HG3AARG A 153 6.759 8.928 51.757 0.58 22.47 H new ATOM 0 HG3BARG A 153 5.540 10.687 54.049 0.42 22.47 H new ATOM 0 HD2AARG A 153 5.712 10.422 50.129 0.58 20.70 H new ATOM 0 HD2BARG A 153 4.367 11.921 52.333 0.42 20.70 H new ATOM 0 HD3AARG A 153 4.873 10.162 51.418 0.58 20.70 H new ATOM 0 HD3BARG A 153 5.676 12.614 52.822 0.42 20.70 H new ATOM 0 HE AARG A 153 5.214 12.276 52.042 0.58 19.37 H new ATOM 0 HE BARG A 153 5.889 11.068 50.581 0.42 19.37 H new ATOM 0 HH11AARG A 153 7.014 11.732 49.313 0.58 17.90 H new ATOM 0 HH11BARG A 153 5.919 14.166 51.724 0.42 17.90 H new ATOM 0 HH12AARG A 153 7.343 13.161 49.047 0.58 17.90 H new ATOM 0 HH12BARG A 153 6.485 14.793 50.498 0.42 17.90 H new ATOM 0 HH21AARG A 153 5.723 14.444 51.632 0.58 16.20 H new ATOM 0 HH21BARG A 153 6.765 12.021 48.714 0.42 16.20 H new ATOM 0 HH22AARG A 153 6.560 14.805 50.454 0.58 16.20 H new ATOM 0 HH22BARG A 153 6.999 13.491 48.670 0.42 16.20 H new ATOM 1269 N LEU A 154 7.837 7.114 53.546 1.00 25.73 N ATOM 1270 CA LEU A 154 7.316 5.753 53.535 1.00 24.35 C ATOM 1271 C LEU A 154 7.771 4.872 54.701 1.00 29.96 C ATOM 1272 O LEU A 154 7.223 3.791 54.908 1.00 31.65 O ATOM 1273 CB LEU A 154 7.649 5.072 52.203 1.00 20.95 C ATOM 1274 CG LEU A 154 6.812 5.527 51.012 1.00 20.84 C ATOM 1275 CD1 LEU A 154 7.396 5.036 49.682 1.00 16.89 C ATOM 1276 CD2 LEU A 154 5.379 5.024 51.194 1.00 28.09 C ATOM 0 H LEU A 154 8.564 7.215 53.098 1.00 25.73 H new ATOM 0 HA LEU A 154 6.357 5.848 53.645 1.00 24.35 H new ATOM 0 HB2 LEU A 154 8.585 5.229 52.001 1.00 20.95 H new ATOM 0 HB3 LEU A 154 7.539 4.114 52.310 1.00 20.95 H new ATOM 0 HG LEU A 154 6.819 6.496 50.979 1.00 20.84 H new ATOM 0 HD11 LEU A 154 6.839 5.344 48.950 1.00 16.89 H new ATOM 0 HD12 LEU A 154 8.294 5.387 49.574 1.00 16.89 H new ATOM 0 HD13 LEU A 154 7.425 4.066 49.680 1.00 16.89 H new ATOM 0 HD21 LEU A 154 4.838 5.308 50.441 1.00 28.09 H new ATOM 0 HD22 LEU A 154 5.380 4.055 51.244 1.00 28.09 H new ATOM 0 HD23 LEU A 154 5.009 5.389 52.013 1.00 28.09 H new ATOM 1277 N VAL A 155 8.765 5.313 55.464 1.00 28.17 N ATOM 1278 CA VAL A 155 9.253 4.491 56.565 1.00 33.65 C ATOM 1279 C VAL A 155 8.189 4.341 57.659 1.00 41.63 C ATOM 1280 O VAL A 155 7.808 5.321 58.309 1.00 45.77 O ATOM 1281 CB VAL A 155 10.541 5.046 57.191 1.00 35.48 C ATOM 1282 CG1 VAL A 155 10.924 4.209 58.407 1.00 33.98 C ATOM 1283 CG2 VAL A 155 11.677 5.067 56.165 1.00 28.46 C ATOM 0 H VAL A 155 9.163 6.069 55.365 1.00 28.17 H new ATOM 0 HA VAL A 155 9.452 3.623 56.181 1.00 33.65 H new ATOM 0 HB VAL A 155 10.384 5.959 57.477 1.00 35.48 H new ATOM 0 HG11 VAL A 155 11.738 4.562 58.800 1.00 33.98 H new ATOM 0 HG12 VAL A 155 10.209 4.242 59.061 1.00 33.98 H new ATOM 0 HG13 VAL A 155 11.070 3.290 58.134 1.00 33.98 H new ATOM 0 HG21 VAL A 155 12.480 5.420 56.579 1.00 28.46 H new ATOM 0 HG22 VAL A 155 11.846 4.165 55.850 1.00 28.46 H new ATOM 0 HG23 VAL A 155 11.426 5.629 55.415 1.00 28.46 H new ATOM 1284 N GLN A 158 6.096 0.669 59.414 1.00 38.27 N ATOM 1285 CA GLN A 158 6.085 -0.364 58.384 1.00 40.61 C ATOM 1286 C GLN A 158 7.157 -0.087 57.326 1.00 35.08 C ATOM 1287 O GLN A 158 6.846 0.247 56.177 1.00 32.73 O ATOM 1288 CB GLN A 158 4.701 -0.446 57.732 1.00 36.12 C ATOM 0 HA GLN A 158 6.285 -1.216 58.802 1.00 40.61 H new ATOM 1289 N ALA A 159 8.419 -0.215 57.726 1.00 32.95 N ATOM 1290 CA ALA A 159 9.540 0.091 56.843 1.00 30.38 C ATOM 1291 C ALA A 159 9.661 -0.912 55.693 1.00 26.80 C ATOM 1292 O ALA A 159 9.929 -0.535 54.559 1.00 24.51 O ATOM 1293 CB ALA A 159 10.834 0.152 57.637 1.00 29.86 C ATOM 0 H ALA A 159 8.648 -0.480 58.511 1.00 32.95 H new ATOM 0 HA ALA A 159 9.369 0.960 56.447 1.00 30.38 H new ATOM 0 HB1 ALA A 159 11.571 0.356 57.040 1.00 29.86 H new ATOM 0 HB2 ALA A 159 10.766 0.843 58.314 1.00 29.86 H new ATOM 0 HB3 ALA A 159 10.992 -0.704 58.065 1.00 29.86 H new ATOM 1294 N GLY A 160 9.472 -2.193 55.989 1.00 24.54 N ATOM 1295 CA GLY A 160 9.487 -3.201 54.945 1.00 25.59 C ATOM 1296 C GLY A 160 8.466 -2.894 53.861 1.00 24.80 C ATOM 1297 O GLY A 160 8.778 -2.929 52.674 1.00 22.35 O ATOM 0 H GLY A 160 9.335 -2.495 56.783 1.00 24.54 H new ATOM 0 HA2 GLY A 160 10.373 -3.249 54.553 1.00 25.59 H new ATOM 0 HA3 GLY A 160 9.300 -4.071 55.331 1.00 25.59 H new ATOM 1298 N LEU A 161 7.240 -2.589 54.279 1.00 23.41 N ATOM 1299 CA LEU A 161 6.166 -2.229 53.363 1.00 23.31 C ATOM 1300 C LEU A 161 6.566 -1.024 52.506 1.00 20.94 C ATOM 1301 O LEU A 161 6.420 -1.049 51.288 1.00 20.58 O ATOM 1302 CB LEU A 161 4.893 -1.914 54.162 1.00 21.78 C ATOM 1303 CG LEU A 161 3.665 -1.291 53.493 1.00 26.86 C ATOM 1304 CD1 LEU A 161 2.986 -2.263 52.554 1.00 24.45 C ATOM 1305 CD2 LEU A 161 2.684 -0.828 54.565 1.00 30.21 C ATOM 0 H LEU A 161 7.008 -2.586 55.107 1.00 23.41 H new ATOM 0 HA LEU A 161 5.996 -2.978 52.770 1.00 23.31 H new ATOM 0 HB2 LEU A 161 4.602 -2.745 54.568 1.00 21.78 H new ATOM 0 HB3 LEU A 161 5.153 -1.321 54.884 1.00 21.78 H new ATOM 0 HG LEU A 161 3.960 -0.532 52.965 1.00 26.86 H new ATOM 0 HD11 LEU A 161 2.215 -1.837 52.149 1.00 24.45 H new ATOM 0 HD12 LEU A 161 3.608 -2.531 51.860 1.00 24.45 H new ATOM 0 HD13 LEU A 161 2.699 -3.046 53.050 1.00 24.45 H new ATOM 0 HD21 LEU A 161 1.905 -0.433 54.142 1.00 30.21 H new ATOM 0 HD22 LEU A 161 2.409 -1.587 55.102 1.00 30.21 H new ATOM 0 HD23 LEU A 161 3.112 -0.169 55.133 1.00 30.21 H new ATOM 1306 N GLY A 162 7.074 0.020 53.155 1.00 21.34 N ATOM 1307 CA GLY A 162 7.485 1.233 52.464 1.00 22.64 C ATOM 1308 C GLY A 162 8.568 0.995 51.429 1.00 22.01 C ATOM 1309 O GLY A 162 8.524 1.547 50.329 1.00 21.37 O ATOM 0 H GLY A 162 7.189 0.043 54.007 1.00 21.34 H new ATOM 0 HA2 GLY A 162 6.713 1.628 52.030 1.00 22.64 H new ATOM 0 HA3 GLY A 162 7.805 1.877 53.116 1.00 22.64 H new ATOM 1310 N GLU A 163 9.551 0.170 51.778 1.00 19.23 N ATOM 1311 CA GLU A 163 10.659 -0.106 50.874 1.00 19.64 C ATOM 1312 C GLU A 163 10.171 -0.855 49.623 1.00 21.84 C ATOM 1313 O GLU A 163 10.610 -0.580 48.499 1.00 18.29 O ATOM 1314 CB GLU A 163 11.762 -0.887 51.610 1.00 19.64 C ATOM 1315 CG GLU A 163 13.064 -0.979 50.841 1.00 24.82 C ATOM 1316 CD GLU A 163 14.233 -1.440 51.699 1.00 25.02 C ATOM 1317 OE1 GLU A 163 14.004 -2.120 52.724 1.00 30.61 O ATOM 1318 OE2 GLU A 163 15.389 -1.133 51.342 1.00 24.00 O ATOM 0 H GLU A 163 9.594 -0.239 52.533 1.00 19.23 H new ATOM 0 HA GLU A 163 11.037 0.736 50.576 1.00 19.64 H new ATOM 0 HB2 GLU A 163 11.931 -0.463 52.466 1.00 19.64 H new ATOM 0 HB3 GLU A 163 11.442 -1.784 51.796 1.00 19.64 H new ATOM 0 HG2 GLU A 163 12.952 -1.594 50.099 1.00 24.82 H new ATOM 0 HG3 GLU A 163 13.271 -0.111 50.461 1.00 24.82 H new ATOM 1319 N TYR A 164 9.246 -1.790 49.822 1.00 19.51 N ATOM 1320 CA TYR A 164 8.642 -2.520 48.706 1.00 18.67 C ATOM 1321 C TYR A 164 7.824 -1.605 47.806 1.00 17.24 C ATOM 1322 O TYR A 164 7.968 -1.637 46.582 1.00 18.34 O ATOM 1323 CB TYR A 164 7.751 -3.648 49.230 1.00 16.63 C ATOM 1324 CG TYR A 164 6.987 -4.410 48.154 1.00 18.48 C ATOM 1325 CD1 TYR A 164 7.609 -5.394 47.396 1.00 18.36 C ATOM 1326 CD2 TYR A 164 5.644 -4.153 47.914 1.00 17.32 C ATOM 1327 CE1 TYR A 164 6.912 -6.109 46.424 1.00 18.02 C ATOM 1328 CE2 TYR A 164 4.940 -4.855 46.942 1.00 19.85 C ATOM 1329 CZ TYR A 164 5.580 -5.830 46.200 1.00 18.83 C ATOM 1330 OH TYR A 164 4.888 -6.532 45.239 1.00 16.75 O ATOM 0 H TYR A 164 8.952 -2.019 50.597 1.00 19.51 H new ATOM 0 HA TYR A 164 9.367 -2.892 48.180 1.00 18.67 H new ATOM 0 HB2 TYR A 164 8.302 -4.275 49.724 1.00 16.63 H new ATOM 0 HB3 TYR A 164 7.114 -3.274 49.859 1.00 16.63 H new ATOM 0 HD1 TYR A 164 8.509 -5.579 47.540 1.00 18.36 H new ATOM 0 HD2 TYR A 164 5.208 -3.500 48.412 1.00 17.32 H new ATOM 0 HE1 TYR A 164 7.342 -6.769 45.930 1.00 18.02 H new ATOM 0 HE2 TYR A 164 4.041 -4.669 46.792 1.00 19.85 H new ATOM 0 HH TYR A 164 4.093 -6.261 45.211 1.00 16.75 H new ATOM 1331 N LEU A 165 6.962 -0.792 48.412 1.00 19.65 N ATOM 1332 CA LEU A 165 6.119 0.119 47.636 1.00 18.70 C ATOM 1333 C LEU A 165 6.936 1.127 46.829 1.00 17.22 C ATOM 1334 O LEU A 165 6.614 1.411 45.677 1.00 16.34 O ATOM 1335 CB LEU A 165 5.105 0.831 48.535 1.00 20.16 C ATOM 1336 CG LEU A 165 3.940 -0.058 48.978 1.00 20.34 C ATOM 1337 CD1 LEU A 165 3.059 0.666 49.990 1.00 23.79 C ATOM 1338 CD2 LEU A 165 3.134 -0.514 47.775 1.00 22.82 C ATOM 0 H LEU A 165 6.849 -0.751 49.264 1.00 19.65 H new ATOM 0 HA LEU A 165 5.633 -0.426 46.997 1.00 18.70 H new ATOM 0 HB2 LEU A 165 5.562 1.166 49.322 1.00 20.16 H new ATOM 0 HB3 LEU A 165 4.752 1.601 48.063 1.00 20.16 H new ATOM 0 HG LEU A 165 4.303 -0.845 49.414 1.00 20.34 H new ATOM 0 HD11 LEU A 165 2.329 0.086 50.257 1.00 23.79 H new ATOM 0 HD12 LEU A 165 3.587 0.900 50.770 1.00 23.79 H new ATOM 0 HD13 LEU A 165 2.700 1.473 49.588 1.00 23.79 H new ATOM 0 HD21 LEU A 165 2.400 -1.076 48.071 1.00 22.82 H new ATOM 0 HD22 LEU A 165 2.781 0.260 47.310 1.00 22.82 H new ATOM 0 HD23 LEU A 165 3.705 -1.018 47.175 1.00 22.82 H new ATOM 1339 N PHE A 166 8.000 1.663 47.423 1.00 14.36 N ATOM 1340 CA PHE A 166 8.825 2.632 46.706 1.00 18.25 C ATOM 1341 C PHE A 166 9.467 1.990 45.486 1.00 17.34 C ATOM 1342 O PHE A 166 9.447 2.540 44.381 1.00 16.80 O ATOM 1343 CB PHE A 166 9.905 3.236 47.614 1.00 16.88 C ATOM 1344 CG PHE A 166 10.760 4.245 46.919 1.00 18.71 C ATOM 1345 CD1 PHE A 166 10.301 5.534 46.719 1.00 18.55 C ATOM 1346 CD2 PHE A 166 12.019 3.901 46.446 1.00 19.18 C ATOM 1347 CE1 PHE A 166 11.076 6.460 46.063 1.00 18.56 C ATOM 1348 CE2 PHE A 166 12.806 4.829 45.778 1.00 19.67 C ATOM 1349 CZ PHE A 166 12.333 6.110 45.587 1.00 20.10 C ATOM 0 H PHE A 166 8.258 1.484 48.224 1.00 14.36 H new ATOM 0 HA PHE A 166 8.242 3.351 46.415 1.00 18.25 H new ATOM 0 HB2 PHE A 166 9.480 3.653 48.380 1.00 16.88 H new ATOM 0 HB3 PHE A 166 10.468 2.524 47.955 1.00 16.88 H new ATOM 0 HD1 PHE A 166 9.459 5.777 47.032 1.00 18.55 H new ATOM 0 HD2 PHE A 166 12.339 3.038 46.578 1.00 19.18 H new ATOM 0 HE1 PHE A 166 10.757 7.325 45.937 1.00 18.56 H new ATOM 0 HE2 PHE A 166 13.647 4.588 45.461 1.00 19.67 H new ATOM 0 HZ PHE A 166 12.854 6.738 45.141 1.00 20.10 H new ATOM 1350 N GLU A 167 10.040 0.810 45.687 1.00 18.11 N ATOM 1351 CA GLU A 167 10.647 0.087 44.579 1.00 17.41 C ATOM 1352 C GLU A 167 9.624 -0.250 43.477 1.00 18.71 C ATOM 1353 O GLU A 167 9.917 -0.117 42.285 1.00 18.79 O ATOM 1354 CB GLU A 167 11.356 -1.178 45.095 1.00 14.37 C ATOM 1355 CG GLU A 167 12.063 -1.970 44.002 1.00 16.87 C ATOM 1356 CD GLU A 167 11.190 -3.065 43.416 1.00 18.61 C ATOM 1357 OE1 GLU A 167 10.238 -3.531 44.098 1.00 19.94 O ATOM 1358 OE2 GLU A 167 11.468 -3.452 42.271 1.00 19.15 O ATOM 0 H GLU A 167 10.088 0.414 46.449 1.00 18.11 H new ATOM 0 HA GLU A 167 11.309 0.667 44.172 1.00 17.41 H new ATOM 0 HB2 GLU A 167 12.004 -0.924 45.770 1.00 14.37 H new ATOM 0 HB3 GLU A 167 10.704 -1.751 45.529 1.00 14.37 H new ATOM 0 HG2 GLU A 167 12.336 -1.365 43.294 1.00 16.87 H new ATOM 0 HG3 GLU A 167 12.871 -2.365 44.365 1.00 16.87 H new ATOM 1359 N ARG A 168 8.424 -0.673 43.878 1.00 18.48 N ATOM 1360 CA ARG A 168 7.374 -1.046 42.929 1.00 18.34 C ATOM 1361 C ARG A 168 6.788 0.141 42.177 1.00 19.27 C ATOM 1362 O ARG A 168 6.539 0.050 40.983 1.00 19.47 O ATOM 1363 CB ARG A 168 6.217 -1.771 43.640 1.00 18.45 C ATOM 1364 CG ARG A 168 6.519 -3.178 44.140 1.00 18.24 C ATOM 1365 CD ARG A 168 6.577 -4.190 43.007 1.00 17.69 C ATOM 1366 NE ARG A 168 7.944 -4.372 42.529 1.00 19.34 N ATOM 1367 CZ ARG A 168 8.288 -5.156 41.514 1.00 21.23 C ATOM 1368 NH1 ARG A 168 9.563 -5.258 41.161 1.00 22.99 N ATOM 1369 NH2 ARG A 168 7.363 -5.838 40.854 1.00 21.16 N ATOM 0 H ARG A 168 8.197 -0.751 44.704 1.00 18.48 H new ATOM 0 HA ARG A 168 7.809 -1.631 42.289 1.00 18.34 H new ATOM 0 HB2 ARG A 168 5.936 -1.231 44.396 1.00 18.45 H new ATOM 0 HB3 ARG A 168 5.464 -1.818 43.030 1.00 18.45 H new ATOM 0 HG2 ARG A 168 7.365 -3.176 44.614 1.00 18.24 H new ATOM 0 HG3 ARG A 168 5.838 -3.446 44.777 1.00 18.24 H new ATOM 0 HD2 ARG A 168 6.223 -5.040 43.311 1.00 17.69 H new ATOM 0 HD3 ARG A 168 6.013 -3.893 42.276 1.00 17.69 H new ATOM 0 HE ARG A 168 8.570 -3.942 42.933 1.00 19.34 H new ATOM 0 HH11 ARG A 168 10.164 -4.817 41.589 1.00 22.99 H new ATOM 0 HH12 ARG A 168 9.788 -5.765 40.504 1.00 22.99 H new ATOM 0 HH21 ARG A 168 6.536 -5.774 41.083 1.00 21.16 H new ATOM 0 HH22 ARG A 168 7.589 -6.345 40.197 1.00 21.16 H new ATOM 1370 N LEU A 169 6.549 1.250 42.882 1.00 19.03 N ATOM 1371 CA LEU A 169 5.738 2.344 42.327 1.00 17.54 C ATOM 1372 C LEU A 169 6.526 3.576 41.855 1.00 20.98 C ATOM 1373 O LEU A 169 6.026 4.394 41.076 1.00 18.17 O ATOM 1374 CB LEU A 169 4.655 2.757 43.336 1.00 19.11 C ATOM 1375 CG LEU A 169 3.691 1.628 43.748 1.00 18.44 C ATOM 1376 CD1 LEU A 169 2.645 2.111 44.751 1.00 18.45 C ATOM 1377 CD2 LEU A 169 3.011 1.020 42.518 1.00 21.13 C ATOM 0 H LEU A 169 6.844 1.390 43.678 1.00 19.03 H new ATOM 0 HA LEU A 169 5.339 1.982 41.520 1.00 17.54 H new ATOM 0 HB2 LEU A 169 5.088 3.102 44.132 1.00 19.11 H new ATOM 0 HB3 LEU A 169 4.138 3.484 42.956 1.00 19.11 H new ATOM 0 HG LEU A 169 4.220 0.942 44.184 1.00 18.44 H new ATOM 0 HD11 LEU A 169 2.058 1.375 44.986 1.00 18.45 H new ATOM 0 HD12 LEU A 169 3.089 2.438 45.549 1.00 18.45 H new ATOM 0 HD13 LEU A 169 2.123 2.827 44.355 1.00 18.45 H new ATOM 0 HD21 LEU A 169 2.409 0.312 42.797 1.00 21.13 H new ATOM 0 HD22 LEU A 169 2.508 1.707 42.053 1.00 21.13 H new ATOM 0 HD23 LEU A 169 3.684 0.655 41.923 1.00 21.13 H new ATOM 1378 N THR A 170 7.756 3.717 42.326 1.00 18.78 N ATOM 1379 CA THR A 170 8.596 4.816 41.865 1.00 15.32 C ATOM 1380 C THR A 170 9.678 4.358 40.893 1.00 17.51 C ATOM 1381 O THR A 170 9.855 4.948 39.838 1.00 17.42 O ATOM 1382 CB THR A 170 9.213 5.597 43.031 1.00 17.56 C ATOM 1383 OG1 THR A 170 8.161 6.248 43.760 1.00 16.06 O ATOM 1384 CG2 THR A 170 10.181 6.654 42.505 1.00 19.73 C ATOM 0 H THR A 170 8.121 3.196 42.905 1.00 18.78 H new ATOM 0 HA THR A 170 8.006 5.415 41.382 1.00 15.32 H new ATOM 0 HB THR A 170 9.696 4.984 43.607 1.00 17.56 H new ATOM 0 HG1 THR A 170 8.490 6.678 44.403 1.00 16.06 H new ATOM 0 HG21 THR A 170 10.565 7.141 43.251 1.00 19.73 H new ATOM 0 HG22 THR A 170 10.890 6.223 42.002 1.00 19.73 H new ATOM 0 HG23 THR A 170 9.705 7.271 41.927 1.00 19.73 H new ATOM 1385 N LEU A 171 10.393 3.292 41.239 1.00 17.43 N ATOM 1386 CA LEU A 171 11.551 2.889 40.444 1.00 20.43 C ATOM 1387 C LEU A 171 11.178 1.946 39.297 1.00 26.53 C ATOM 1388 O LEU A 171 10.126 1.300 39.338 1.00 28.58 O ATOM 1389 CB LEU A 171 12.624 2.254 41.338 1.00 18.64 C ATOM 1390 CG LEU A 171 13.224 3.125 42.452 1.00 21.55 C ATOM 1391 CD1 LEU A 171 14.317 2.372 43.176 1.00 19.89 C ATOM 1392 CD2 LEU A 171 13.757 4.460 41.919 1.00 20.58 C ATOM 0 H LEU A 171 10.229 2.794 41.921 1.00 17.43 H new ATOM 0 HA LEU A 171 11.911 3.695 40.041 1.00 20.43 H new ATOM 0 HB2 LEU A 171 12.241 1.463 41.749 1.00 18.64 H new ATOM 0 HB3 LEU A 171 13.350 1.955 40.768 1.00 18.64 H new ATOM 0 HG LEU A 171 12.510 3.329 43.076 1.00 21.55 H new ATOM 0 HD11 LEU A 171 14.687 2.932 43.876 1.00 19.89 H new ATOM 0 HD12 LEU A 171 13.949 1.565 43.569 1.00 19.89 H new ATOM 0 HD13 LEU A 171 15.017 2.135 42.548 1.00 19.89 H new ATOM 0 HD21 LEU A 171 14.126 4.977 42.652 1.00 20.58 H new ATOM 0 HD22 LEU A 171 14.450 4.293 41.261 1.00 20.58 H new ATOM 0 HD23 LEU A 171 13.033 4.956 41.506 1.00 20.58 H new TER 1393 LEU A 171 HETATM 1394 CD CD A 175 48.868 -0.175 42.373 0.52 29.96 CD HETATM 1395 CD CD A 176 23.963 5.791 28.692 0.39 41.76 CD HETATM 1396 CD CD A 177 21.203 1.573 30.165 0.49 55.18 CD HETATM 1397 CD CD A 178 27.613 26.937 27.107 0.23 45.84 CD HETATM 1398 CD CD A 179 29.319 29.889 30.659 0.33 48.30 CD HETATM 1399 S SO4 A 180 49.810 28.169 24.436 1.00 45.61 S HETATM 1400 O1 SO4 A 180 49.959 28.481 23.009 1.00 40.05 O HETATM 1401 O2 SO4 A 180 49.604 26.732 24.612 1.00 39.18 O HETATM 1402 O3 SO4 A 180 48.702 28.923 25.012 1.00 39.09 O HETATM 1403 O4 SO4 A 180 51.029 28.537 25.157 1.00 49.63 O HETATM 1404 S SO4 A 181 11.253 12.576 40.744 0.42 30.03 S HETATM 1405 O1 SO4 A 181 11.272 12.042 39.385 0.51 32.71 O HETATM 1406 O2 SO4 A 181 10.884 11.513 41.678 0.64 25.76 O HETATM 1407 O3 SO4 A 181 10.277 13.655 40.843 0.58 28.60 O HETATM 1408 O4 SO4 A 181 12.571 13.101 41.065 0.62 25.30 O HETATM 1409 CD CD A 182 51.053 26.399 35.118 0.82 75.75 CD HETATM 1410 C1 ARAV A 183 34.935 0.056 34.956 0.22 23.39 C HETATM 1411 C1 BRAV A 183 34.618 0.019 34.955 0.28 23.40 C HETATM 1412 C2 ARAV A 183 34.949 1.323 34.142 0.22 23.63 C HETATM 1413 C2 BRAV A 183 34.442 1.311 34.200 0.28 23.65 C HETATM 1414 N3 ARAV A 183 35.108 1.293 32.813 0.22 23.68 N HETATM 1415 N3 BRAV A 183 34.910 1.468 32.956 0.28 23.73 N HETATM 1416 C4 ARAV A 183 35.260 0.152 32.137 0.22 23.17 C HETATM 1417 C4 BRAV A 183 35.564 0.499 32.309 0.28 23.20 C HETATM 1418 N5 ARAV A 183 35.263 -1.029 32.756 0.22 23.11 N HETATM 1419 N5 BRAV A 183 35.787 -0.684 32.881 0.28 23.13 N HETATM 1420 C6 ARAV A 183 35.118 -1.146 34.078 0.22 23.44 C HETATM 1421 C6 BRAV A 183 35.377 -0.976 34.117 0.28 23.36 C HETATM 1422 O7 ARAV A 183 35.128 -2.289 34.586 0.22 23.16 O HETATM 1423 O7 BRAV A 183 35.636 -2.116 34.564 0.28 23.22 O HETATM 1424 O8 ARAV A 183 34.817 2.439 34.690 0.22 22.99 O HETATM 1425 O8 BRAV A 183 33.848 2.278 34.733 0.28 22.88 O HETATM 1426 O9 ARAV A 183 35.403 0.186 30.897 0.22 23.78 O HETATM 1427 O9 BRAV A 183 35.978 0.708 31.148 0.28 23.51 O HETATM 1428 C12ARAV A 183 36.075 0.108 35.960 0.22 23.61 C HETATM 1429 C12BRAV A 183 35.398 0.296 36.233 0.28 23.57 C HETATM 1430 C13ARAV A 183 33.632 -0.116 35.735 0.22 23.22 C HETATM 1431 C13BRAV A 183 33.243 -0.566 35.319 0.28 23.53 C HETATM 1432 C14ARAV A 183 33.232 1.146 36.482 0.22 22.65 C HETATM 1433 C14BRAV A 183 32.925 -1.861 34.576 0.28 23.51 C HETATM 1434 C15ARAV A 183 32.498 -0.648 34.863 0.22 23.41 C HETATM 1435 C15BRAV A 183 32.098 0.416 35.110 0.28 23.06 C HETATM 1436 C16ARAV A 183 31.205 -0.770 35.664 0.22 23.50 C HETATM 1437 C16BRAV A 183 30.774 -0.151 35.610 0.28 23.72 C HETATM 1438 C17ARAV A 183 30.093 0.021 35.009 0.22 23.15 C HETATM 1439 C17BRAV A 183 29.649 0.204 34.661 0.28 22.76 C HETATM 1440 C18ARAV A 183 35.772 -0.809 37.130 0.22 22.68 C HETATM 1441 C18BRAV A 183 35.058 -0.726 37.302 0.28 22.16 C HETATM 0 H18BARAV A 183 34.952 -0.523 37.562 0.22 22.16 H new HETATM 0 H18BBRAV A 183 34.109 -0.685 37.499 0.28 22.16 H new HETATM 0 H18AARAV A 183 35.668 -1.719 36.810 0.22 22.16 H new HETATM 0 H18ABRAV A 183 35.283 -1.614 36.984 0.28 22.16 H new HETATM 0 H17BARAV A 183 30.345 0.956 34.962 0.22 22.76 H new HETATM 0 H17BBRAV A 183 29.573 1.169 34.596 0.28 22.76 H new HETATM 0 H17AARAV A 183 29.939 -0.317 34.113 0.22 22.76 H new HETATM 0 H16AARAV A 183 30.948 -1.703 35.732 0.22 23.72 H new HETATM 0 H16ABRAV A 183 30.841 -1.115 35.694 0.28 23.72 H new HETATM 0 H15AARAV A 183 32.360 -0.055 34.108 0.22 23.06 H new HETATM 0 H15ABRAV A 183 32.292 1.245 35.575 0.28 23.06 H new HETATM 0 H14BARAV A 183 33.929 1.383 37.114 0.22 23.51 H new HETATM 0 H14BBRAV A 183 32.929 -1.695 33.620 0.28 23.51 H new HETATM 0 H14AARAV A 183 33.109 1.871 35.850 0.22 23.51 H new HETATM 0 H14ABRAV A 183 33.594 -2.530 34.790 0.28 23.51 H new HETATM 0 H12AARAV A 183 36.904 -0.160 35.534 0.22 23.57 H new HETATM 0 H12ABRAV A 183 36.350 0.272 36.048 0.28 23.57 H new HETATM 0 HN5ARAV A 183 35.362 -1.742 32.286 0.22 23.13 H new HETATM 0 HN5BRAV A 183 36.213 -1.284 32.435 0.28 23.13 H new HETATM 0 HN3ARAV A 183 35.112 2.036 32.379 0.22 23.73 H new HETATM 0 HN3BRAV A 183 34.785 2.220 32.558 0.28 23.73 H new HETATM 0 H18ARAV A 183 36.502 -0.772 37.768 0.22 22.16 H new HETATM 0 H18BRAV A 183 35.564 -0.533 38.107 0.28 22.16 H new HETATM 0 H17ARAV A 183 29.281 -0.069 35.532 0.22 22.76 H new HETATM 0 H17BRAV A 183 28.816 -0.164 34.994 0.28 22.76 H new HETATM 0 H16ARAV A 183 31.348 -0.449 36.568 0.22 23.72 H new HETATM 0 H16BRAV A 183 30.580 0.198 36.494 0.28 23.72 H new HETATM 0 H15ARAV A 183 32.742 -1.515 34.502 0.22 23.06 H new HETATM 0 H15BRAV A 183 32.023 0.631 34.167 0.28 23.06 H new HETATM 0 H14ARAV A 183 32.402 0.990 36.960 0.22 23.51 H new HETATM 0 H14BRAV A 183 32.050 -2.182 34.844 0.28 23.51 H new HETATM 0 H13ARAV A 183 33.807 -0.793 36.407 0.22 23.53 H new HETATM 0 H13BRAV A 183 33.316 -0.761 36.266 0.28 23.53 H new HETATM 0 H12ARAV A 183 36.199 1.017 36.275 0.22 23.57 H new HETATM 0 H12BRAV A 183 35.194 1.188 36.555 0.28 23.57 H new HETATM 1442 O HOH A 184 14.756 4.412 38.093 1.00 39.75 O HETATM 1443 O HOH A 185 18.219 0.977 59.100 1.00 44.19 O HETATM 1444 O HOH A 186 49.198 17.949 40.019 1.00 45.93 O HETATM 1445 O HOH A 187 20.812 9.739 35.213 1.00 41.31 O HETATM 1446 O HOH A 188 48.079 29.831 28.085 1.00 43.57 O HETATM 1447 O HOH A 189 47.661 27.592 29.985 1.00 32.64 O HETATM 1448 O HOH A 190 40.491 5.450 43.384 1.00 27.50 O HETATM 1449 O HOH A 191 20.520 19.642 42.531 1.00 15.48 O HETATM 1450 O HOH A 192 12.622 -8.827 36.267 1.00 32.77 O HETATM 1451 O HOH A 193 44.503 22.403 23.559 1.00 17.28 O HETATM 1452 O HOH A 194 14.487 7.143 39.039 1.00 27.84 O HETATM 1453 O HOH A 195 25.876 9.624 29.343 1.00 43.83 O HETATM 1454 O HOH A 196 24.546 14.551 51.848 1.00 37.01 O HETATM 1455 O HOH A 197 33.660 30.434 33.089 1.00 44.68 O HETATM 1456 O HOH A 198 30.254 21.580 23.732 1.00 38.65 O HETATM 1457 O HOH A 199 25.325 18.572 31.806 1.00 33.85 O HETATM 1458 O HOH A 200 26.468 -11.748 53.378 1.00 42.24 O HETATM 1459 O HOH A 201 42.845 9.031 35.646 1.00 15.82 O HETATM 1460 O HOH A 202 31.745 -2.788 47.284 1.00 17.11 O HETATM 1461 O HOH A 203 21.802 -14.078 45.886 1.00 18.31 O HETATM 1462 O HOH A 204 49.318 13.723 31.894 1.00 23.03 O HETATM 1463 O HOH A 205 47.883 5.475 32.544 1.00 20.09 O HETATM 1464 O HOH A 206 29.972 -6.208 47.787 1.00 15.21 O HETATM 1465 O HOH A 207 43.982 25.411 31.128 1.00 22.25 O HETATM 1466 O HOH A 208 27.751 -5.831 45.714 1.00 17.92 O HETATM 1467 O HOH A 209 12.202 17.753 39.951 1.00 25.84 O HETATM 1468 O HOH A 210 42.808 24.957 22.369 1.00 16.36 O HETATM 1469 O HOH A 211 45.964 20.247 39.113 1.00 27.11 O HETATM 1470 O HOH A 212 29.624 14.646 49.655 1.00 23.36 O HETATM 1471 O HOH A 213 38.720 21.465 27.649 1.00 18.71 O HETATM 1472 O HOH A 214 32.357 4.216 47.570 1.00 23.04 O HETATM 1473 O HOH A 215 10.442 -6.201 44.853 1.00 15.86 O HETATM 1474 O HOH A 216 21.503 -12.697 39.908 1.00 15.97 O HETATM 1475 O HOH A 217 8.955 -8.217 43.891 1.00 21.47 O HETATM 1476 O HOH A 218 26.662 21.546 39.056 1.00 21.39 O HETATM 1477 O HOH A 219 27.028 -7.536 49.525 1.00 17.74 O HETATM 1478 O HOH A 220 25.744 8.187 53.499 1.00 29.98 O HETATM 1479 O HOH A 221 28.898 7.642 49.403 1.00 21.57 O HETATM 1480 O HOH A 222 33.164 26.774 40.252 1.00 25.26 O HETATM 1481 O HOH A 223 46.239 10.399 26.267 1.00 19.67 O HETATM 1482 O HOH A 224 39.840 16.832 39.867 1.00 21.10 O HETATM 1483 O HOH A 225 26.482 -7.781 46.804 1.00 15.57 O HETATM 1484 O HOH A 226 43.728 22.613 20.857 1.00 21.77 O HETATM 1485 O HOH A 227 30.021 -3.139 54.511 1.00 25.18 O HETATM 1486 O HOH A 228 33.943 28.717 38.584 1.00 27.21 O HETATM 1487 O HOH A 229 42.313 6.587 37.064 1.00 19.37 O HETATM 1488 O HOH A 230 49.880 9.171 29.016 1.00 22.95 O HETATM 1489 O HOH A 231 40.512 27.340 26.177 1.00 21.38 O HETATM 1490 O HOH A 232 35.803 -5.940 49.614 1.00 25.36 O HETATM 1491 O HOH A 233 34.461 -2.299 50.772 1.00 28.34 O HETATM 1492 O HOH A 234 15.856 16.038 38.306 1.00 21.56 O HETATM 1493 O HOH A 235 38.541 18.944 40.677 1.00 20.78 O HETATM 1494 O HOH A 236 30.988 8.785 26.887 1.00 28.29 O HETATM 1495 O HOH A 237 33.893 23.127 25.355 1.00 27.97 O HETATM 1496 O HOH A 238 51.373 16.017 28.995 1.00 32.28 O HETATM 1497 O HOH A 239 30.340 21.160 48.683 1.00 30.53 O HETATM 1498 O HOH A 240 14.582 1.913 52.697 1.00 21.06 O HETATM 1499 O HOH A 241 17.592 -8.003 40.338 1.00 29.35 O HETATM 1500 O HOH A 242 19.395 5.604 37.297 1.00 22.04 O HETATM 1501 O HOH A 243 26.109 23.629 40.661 1.00 19.64 O HETATM 1502 O HOH A 244 48.983 24.867 26.375 1.00 23.92 O HETATM 1503 O HOH A 245 19.115 -15.899 51.590 1.00 26.15 O HETATM 1504 O HOH A 246 44.844 27.713 30.288 1.00 24.60 O HETATM 1505 O HOH A 247 12.800 0.862 48.089 1.00 21.30 O HETATM 1506 O HOH A 248 21.187 13.848 35.179 1.00 27.14 O HETATM 1507 O HOH A 249 31.179 16.977 48.737 1.00 31.16 O HETATM 1508 O HOH A 250 17.382 -3.422 51.664 1.00 30.48 O HETATM 1509 O HOH A 251 33.807 16.680 48.457 1.00 35.69 O HETATM 1510 O HOH A 252 35.968 -4.994 53.039 1.00 32.60 O HETATM 1511 O HOH A 253 51.074 17.314 25.786 1.00 32.14 O HETATM 1512 O HOH A 254 28.057 11.074 34.453 1.00 31.55 O HETATM 1513 O HOH A 255 47.778 4.406 41.498 1.00 29.70 O HETATM 1514 O HOH A 256 14.862 1.589 38.252 1.00 27.61 O HETATM 1515 O HOH A 257 3.612 4.373 39.825 1.00 28.21 O HETATM 1516 O HOH A 258 17.270 2.602 56.908 1.00 27.23 O HETATM 1517 O HOH A 259 25.663 11.282 36.029 1.00 34.57 O HETATM 1518 O HOH A 260 20.452 0.047 57.933 1.00 33.93 O HETATM 1519 O HOH A 261 18.747 -6.924 38.836 1.00 36.31 O HETATM 1520 O HOH A 262 38.620 18.687 43.359 1.00 28.44 O HETATM 1521 O HOH A 263 50.843 24.913 32.186 1.00 31.68 O HETATM 1522 O HOH A 264 49.683 17.590 34.168 1.00 23.16 O HETATM 1523 O HOH A 265 13.635 15.129 39.366 1.00 30.71 O HETATM 1524 O HOH A 266 9.161 14.547 43.026 1.00 26.16 O HETATM 1525 O HOH A 267 48.915 14.991 34.369 1.00 26.13 O HETATM 1526 O HOH A 268 45.351 31.276 29.615 1.00 33.22 O HETATM 1527 O HOH A 269 12.736 2.555 50.373 1.00 28.18 O HETATM 1528 O HOH A 270 39.741 24.985 41.991 1.00 28.74 O HETATM 1529 O HOH A 271 46.406 13.694 38.222 1.00 30.08 O HETATM 1530 O HOH A 272 38.523 30.719 39.468 1.00 30.81 O HETATM 1531 O HOH A 273 35.059 16.133 45.751 1.00 27.13 O HETATM 1532 O HOH A 274 37.331 15.022 18.273 1.00 33.34 O HETATM 1533 O HOH A 275 6.956 12.328 43.160 1.00 16.69 O HETATM 1534 O HOH A 276 23.783 8.021 28.789 1.00 29.16 O HETATM 1535 O HOH A 277 30.698 30.450 32.410 1.00 43.20 O HETATM 1536 O HOH A 278 8.683 10.397 40.921 1.00 35.23 O HETATM 1537 O HOH A 279 25.936 -9.570 55.912 1.00 38.54 O HETATM 1538 O HOH A 280 12.847 19.492 38.245 1.00 30.66 O HETATM 1539 O HOH A 281 16.700 -7.850 42.445 1.00 30.31 O HETATM 1540 O HOH A 282 42.549 18.723 41.239 1.00 39.40 O HETATM 1541 O HOH A 283 22.506 1.351 28.142 1.00 42.21 O HETATM 1542 O HOH A 284 17.319 -14.976 53.335 1.00 32.18 O HETATM 1543 O HOH A 285 24.448 4.314 27.158 1.00 42.54 O HETATM 1544 O HOH A 286 28.022 13.857 35.957 1.00 30.31 O HETATM 1545 O HOH A 287 32.581 27.376 42.722 1.00 26.63 O HETATM 1546 O HOH A 288 8.788 -3.449 58.656 1.00 36.29 O HETATM 1547 O HOH A 289 46.534 5.497 43.495 1.00 32.40 O HETATM 1548 O HOH A 290 33.282 6.363 44.762 1.00 26.56 O HETATM 1549 O HOH A 291 41.466 22.965 41.770 1.00 37.01 O HETATM 1550 O HOH A 292 31.186 8.988 48.508 1.00 28.17 O HETATM 1551 O HOH A 293 36.014 25.386 44.365 1.00 33.68 O HETATM 1552 O HOH A 294 13.627 1.464 55.167 1.00 32.83 O HETATM 1553 O HOH A 295 33.022 6.995 47.549 1.00 38.10 O HETATM 1554 O HOH A 296 27.607 15.215 51.363 1.00 33.82 O HETATM 1555 O HOH A 297 30.214 24.232 46.683 1.00 27.87 O HETATM 1556 O HOH A 298 12.778 -0.502 37.342 1.00 36.64 O HETATM 1557 O HOH A 299 28.560 7.484 52.220 1.00 32.31 O HETATM 1558 O HOH A 300 32.396 -2.665 54.459 1.00 35.91 O HETATM 1559 O HOH A 301 38.298 16.225 44.197 1.00 39.08 O HETATM 1560 O HOH A 302 10.222 -1.876 39.719 1.00 36.09 O HETATM 1561 O HOH A 303 10.908 2.572 54.321 1.00 35.34 O HETATM 1562 O HOH A 304 51.297 18.019 36.946 1.00 41.99 O HETATM 1563 O HOH A 305 44.049 4.431 44.804 1.00 34.47 O HETATM 1564 O HOH A 306 53.345 14.093 29.452 1.00 39.07 O HETATM 1565 O HOH A 307 9.853 12.866 53.927 1.00 26.30 O HETATM 1566 O HOH A 308 23.887 -4.147 54.803 1.00 29.37 O HETATM 1567 O HOH A 309 40.431 20.926 40.396 1.00 25.72 O HETATM 1568 O HOH A 310 43.832 5.984 43.112 1.00 34.60 O HETATM 1569 O HOH A 311 19.357 -4.771 37.684 1.00 36.61 O HETATM 1570 O HOH A 312 30.336 5.141 49.086 1.00 27.98 O HETATM 1571 O HOH A 313 10.782 3.604 51.688 1.00 29.23 O HETATM 1572 O HOH A 314 51.259 23.131 20.663 1.00 34.20 O HETATM 1573 O HOH A 315 32.562 10.394 24.759 1.00 36.07 O HETATM 1574 O HOH A 316 14.690 2.796 57.117 1.00 34.46 O HETATM 1575 O HOH A 317 35.607 30.514 40.129 1.00 39.48 O HETATM 1576 O HOH A 318 50.113 26.315 21.216 1.00 34.99 O HETATM 1577 O HOH A 319 29.629 5.076 52.450 1.00 40.74 O HETATM 1578 O HOH A 320 21.034 12.660 53.108 1.00 42.07 O HETATM 1579 O HOH A 321 38.920 25.543 44.429 1.00 42.29 O HETATM 1580 O HOH A 322 13.509 -1.043 55.321 1.00 35.73 O HETATM 1581 O HOH A 323 47.965 13.123 36.261 1.00 35.05 O HETATM 1582 O HOH A 324 9.963 16.017 39.505 1.00 36.02 O HETATM 1583 O HOH A 325 52.735 18.360 30.154 1.00 37.42 O HETATM 1584 O HOH A 326 32.490 25.626 44.959 1.00 28.34 O HETATM 1585 O HOH A 327 34.449 14.462 18.118 1.00 40.94 O HETATM 1586 O HOH A 328 23.360 11.726 52.359 1.00 33.37 O HETATM 1587 O HOH A 329 6.298 -3.635 56.775 1.00 36.16 O HETATM 1588 O HOH A 330 35.007 -2.059 53.770 1.00 43.20 O HETATM 1589 O HOH A 331 30.202 18.879 50.125 1.00 49.50 O HETATM 1590 O HOH A 332 21.512 -14.780 52.441 1.00 36.52 O HETATM 1591 O HOH A 333 18.768 12.798 36.502 1.00 29.00 O HETATM 1592 O HOH A 334 7.677 8.422 57.833 1.00 40.06 O HETATM 1593 O HOH A 335 25.819 -0.803 34.583 1.00 31.61 O HETATM 1594 O HOH A 336 16.464 -10.922 54.055 1.00 33.97 O HETATM 1595 O HOH A 337 34.970 28.067 43.637 1.00 42.04 O HETATM 1596 O HOH A 338 24.367 10.595 54.675 1.00 34.48 O HETATM 1597 O HOH A 339 8.985 -0.631 60.713 1.00 44.30 O HETATM 1598 O HOH A 340 17.150 4.674 36.159 1.00 36.00 O HETATM 1599 O HOH A 341 21.220 5.593 32.557 1.00 40.29 O HETATM 1600 O HOH A 342 23.106 11.149 35.220 1.00 41.56 O HETATM 1601 O HOH A 343 45.861 33.749 29.735 1.00 43.67 O HETATM 1602 O HOH A 344 9.209 12.023 56.479 1.00 37.92 O HETATM 1603 O HOH A 345 17.272 -7.205 52.958 1.00 32.50 O HETATM 1604 O HOH A 346 36.155 13.215 46.461 1.00 39.86 O HETATM 1605 O HOH A 347 44.462 8.416 42.738 1.00 36.05 O HETATM 1606 O HOH A 348 11.648 8.522 57.955 1.00 35.07 O HETATM 1607 O HOH A 349 5.172 2.176 55.490 1.00 37.28 O HETATM 1608 O HOH A 350 7.303 14.456 54.054 1.00 35.77 O HETATM 1609 O HOH A 351 37.468 1.758 50.187 1.00 39.25 O HETATM 1610 O HOH A 352 7.208 -8.091 39.069 1.00 40.02 O HETATM 1611 O HOH A 353 7.826 -5.400 36.656 1.00 46.31 O HETATM 1612 O HOH A 354 20.856 -13.175 54.705 1.00 36.33 O HETATM 1613 O HOH A 355 51.819 12.673 31.263 1.00 36.36 O HETATM 1614 O HOH A 356 50.602 15.873 38.576 1.00 45.65 O HETATM 1615 O HOH A 357 20.103 -2.404 57.404 1.00 39.47 O HETATM 1616 O HOH A 358 9.991 -5.601 57.684 1.00 45.75 O HETATM 1617 O HOH A 359 8.584 -3.398 38.331 1.00 39.23 O HETATM 1618 O HOH A 360 32.450 11.207 48.586 1.00 39.27 O HETATM 1619 O HOH A 361 43.744 10.169 41.031 1.00 33.34 O HETATM 1620 O HOH A 362 10.719 10.339 43.944 1.00 20.38 O HETATM 1621 O HOH A 363 24.191 5.889 53.859 1.00 23.29 O HETATM 1622 O HOH A 364 24.530 0.262 56.398 1.00 41.37 O HETATM 1623 O HOH A 365 34.020 8.825 43.308 1.00 20.47 O HETATM 1624 O HOH A 366 22.927 5.902 56.308 1.00 38.34 O HETATM 1625 O HOH A 367 21.063 3.137 59.150 1.00 41.44 O HETATM 1626 O HOH A 368 3.538 3.073 57.450 1.00 40.00 O HETATM 1627 O HOH A 369 34.067 14.571 25.144 1.00 32.93 O HETATM 1628 O HOH A 370 41.509 27.241 41.135 1.00 33.75 O HETATM 1629 O HOH A 371 14.047 8.815 57.287 1.00 39.64 O HETATM 1630 O HOH A 372 40.565 11.696 42.020 1.00 31.98 O HETATM 1631 O HOH A 373 48.981 20.244 39.218 1.00 40.02 O HETATM 1632 O HOH A 374 50.643 21.231 37.305 1.00 40.22 O HETATM 1633 O HOH A 375 18.545 10.120 36.293 1.00 41.04 O HETATM 1634 O HOH A 376 12.230 14.127 54.680 1.00 38.94 O HETATM 1635 O HOH A 377 20.778 -4.670 55.903 1.00 38.88 O HETATM 1636 O HOH A 378 24.644 1.943 53.413 1.00 37.05 O HETATM 1637 O HOH A 379 27.505 19.111 51.279 1.00 52.14 O CONECT 84 1409 CONECT 85 1409 CONECT 453 1396 CONECT 475 1395 CONECT 476 1396 CONECT 485 1395 CONECT 521 1395 CONECT 522 1395 CONECT 681 1394 CONECT 1066 1398 CONECT 1394 681 CONECT 1395 475 485 521 522 CONECT 1395 1534 1543 CONECT 1396 453 476 1541 CONECT 1398 1066 1535 CONECT 1399 1400 1401 1402 1403 CONECT 1400 1399 CONECT 1401 1399 CONECT 1402 1399 CONECT 1403 1399 CONECT 1404 1405 1406 1407 1408 CONECT 1405 1404 CONECT 1406 1404 CONECT 1407 1404 CONECT 1408 1404 CONECT 1409 84 85 CONECT 1410 1412 1420 1428 1430 CONECT 1411 1413 1421 1429 1431 CONECT 1412 1410 1414 1424 CONECT 1413 1411 1415 1425 CONECT 1414 1412 1416 CONECT 1415 1413 1417 CONECT 1416 1414 1418 1426 CONECT 1417 1415 1419 1427 CONECT 1418 1416 1420 CONECT 1419 1417 1421 CONECT 1420 1410 1418 1422 CONECT 1421 1411 1419 1423 CONECT 1422 1420 CONECT 1423 1421 CONECT 1424 1412 CONECT 1425 1413 CONECT 1426 1416 CONECT 1427 1417 CONECT 1428 1410 1440 CONECT 1429 1411 1441 CONECT 1430 1410 1432 1434 CONECT 1431 1411 1433 1435 CONECT 1432 1430 CONECT 1433 1431 CONECT 1434 1430 1436 CONECT 1435 1431 1437 CONECT 1436 1434 1438 CONECT 1437 1435 1439 CONECT 1438 1436 CONECT 1439 1437 CONECT 1440 1428 CONECT 1441 1429 CONECT 1534 1395 CONECT 1535 1398 CONECT 1541 1396 CONECT 1543 1395 END