Browse entries in the PDBbind-CN Database
HEADER TRANSFERASE 05-JUN-16 5B76 TITLE CRYSTAL STRUCTURE OF MOZ DOUBLE PHD FINGER DOMAIN IN COMPLEX WITH TITLE 2 HISTONE H3 CROTONYLATION AT K14 COMPND MOL_ID: 1; COMPND 2 MOLECULE: HISTONE ACETYLTRANSFERASE KAT6A; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 194-323; COMPND 5 SYNONYM: MOZ; COMPND 6 EC: 2.3.1.48; COMPND 7 ENGINEERED: YES; COMPND 8 MOL_ID: 2; COMPND 9 MOLECULE: HISTONE H3; COMPND 10 CHAIN: B; COMPND 11 FRAGMENT: UNP RESIDUES 2-26; COMPND 12 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: MOZ; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 MOL_ID: 2; SOURCE 9 SYNTHETIC: YES; SOURCE 10 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 11 ORGANISM_COMMON: HUMAN; SOURCE 12 ORGANISM_TAXID: 9606 KEYWDS DOUBLE PHD FINGER, TRANSFERASE EXPDTA X-RAY DIFFRACTION AUTHOR H.LI,X.XIONG REVDAT 2 30-NOV-16 5B76 1 JRNL REVDAT 1 26-OCT-16 5B76 0 JRNL AUTH X.XIONG,T.PANCHENKO,S.YANG,S.ZHAO,P.YAN,W.ZHANG,W.XIE,Y.LI, JRNL AUTH 2 Y.ZHAO,C.D.ALLIS,H.LI JRNL TITL SELECTIVE RECOGNITION OF HISTONE CROTONYLATION BY DOUBLE PHD JRNL TITL 2 FINGERS OF MOZ AND DPF2 JRNL REF NAT.CHEM.BIOL. V. 12 1111 2016 JRNL REFN ESSN 1552-4469 JRNL PMID 27775714 JRNL DOI 10.1038/NCHEMBIO.2218 REMARK 2 REMARK 2 RESOLUTION. 1.65 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (1.10_2155: ???) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.65 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 24.06 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.350 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.9 REMARK 3 NUMBER OF REFLECTIONS : 21315 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.189 REMARK 3 R VALUE (WORKING SET) : 0.187 REMARK 3 FREE R VALUE : 0.237 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.120 REMARK 3 FREE R VALUE TEST SET COUNT : 1092 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 24.0625 - 3.3039 0.99 2690 130 0.1575 0.2350 REMARK 3 2 3.3039 - 2.6234 1.00 2580 139 0.1815 0.2087 REMARK 3 3 2.6234 - 2.2921 1.00 2551 139 0.1777 0.2042 REMARK 3 4 2.2921 - 2.0827 0.97 2429 155 0.2332 0.2757 REMARK 3 5 2.0827 - 1.9334 0.99 2503 149 0.2049 0.2305 REMARK 3 6 1.9334 - 1.8195 0.98 2473 130 0.2743 0.3311 REMARK 3 7 1.8195 - 1.7284 1.00 2497 131 0.2016 0.2215 REMARK 3 8 1.7284 - 1.6532 0.99 2500 119 0.2122 0.2582 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : NULL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.100 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 23.040 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.003 1154 REMARK 3 ANGLE : 0.628 1550 REMARK 3 CHIRALITY : 0.042 163 REMARK 3 PLANARITY : 0.004 203 REMARK 3 DIHEDRAL : 12.849 725 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 11 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 193 THROUGH 202 ) REMARK 3 ORIGIN FOR THE GROUP (A): 6.5227 -6.4444 -5.8620 REMARK 3 T TENSOR REMARK 3 T11: 0.6045 T22: 0.5521 REMARK 3 T33: 0.4926 T12: -0.0621 REMARK 3 T13: -0.1351 T23: 0.0732 REMARK 3 L TENSOR REMARK 3 L11: 1.9607 L22: 1.4725 REMARK 3 L33: 3.2420 L12: -0.7329 REMARK 3 L13: -2.2071 L23: 1.6565 REMARK 3 S TENSOR REMARK 3 S11: 0.1046 S12: -1.1445 S13: -0.2170 REMARK 3 S21: 0.9845 S22: -0.0134 S23: -0.7456 REMARK 3 S31: 0.6668 S32: 1.0245 S33: 0.1063 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 203 THROUGH 212 ) REMARK 3 ORIGIN FOR THE GROUP (A): -1.5217 7.0862 -20.3966 REMARK 3 T TENSOR REMARK 3 T11: 0.2658 T22: 0.1743 REMARK 3 T33: 0.2234 T12: 0.0108 REMARK 3 T13: -0.0393 T23: -0.0073 REMARK 3 L TENSOR REMARK 3 L11: 0.2236 L22: 0.1256 REMARK 3 L33: 0.1684 L12: 0.0041 REMARK 3 L13: 0.2181 L23: -0.1690 REMARK 3 S TENSOR REMARK 3 S11: -0.0091 S12: 0.0220 S13: 0.0191 REMARK 3 S21: 0.0143 S22: 0.1498 S23: 0.1582 REMARK 3 S31: 0.1112 S32: -0.1806 S33: 0.0002 REMARK 3 TLS GROUP : 3 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 213 THROUGH 229 ) REMARK 3 ORIGIN FOR THE GROUP (A): 5.2142 9.8661 -27.6896 REMARK 3 T TENSOR REMARK 3 T11: 0.4304 T22: 0.2277 REMARK 3 T33: 0.1904 T12: 0.0616 REMARK 3 T13: 0.0120 T23: 0.0124 REMARK 3 L TENSOR REMARK 3 L11: 0.7224 L22: 0.3417 REMARK 3 L33: 0.3615 L12: -0.0481 REMARK 3 L13: -0.1743 L23: -0.2450 REMARK 3 S TENSOR REMARK 3 S11: 0.0797 S12: 0.0762 S13: -0.0071 REMARK 3 S21: -0.4616 S22: -0.1408 S23: -0.1091 REMARK 3 S31: 0.2709 S32: 0.1543 S33: -0.0120 REMARK 3 TLS GROUP : 4 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 230 THROUGH 245 ) REMARK 3 ORIGIN FOR THE GROUP (A): 5.4511 8.5210 -16.8520 REMARK 3 T TENSOR REMARK 3 T11: 0.2175 T22: 0.1793 REMARK 3 T33: 0.2282 T12: 0.0219 REMARK 3 T13: -0.0114 T23: 0.0070 REMARK 3 L TENSOR REMARK 3 L11: 0.1676 L22: 0.3841 REMARK 3 L33: 0.2526 L12: -0.0319 REMARK 3 L13: 0.2127 L23: -0.2157 REMARK 3 S TENSOR REMARK 3 S11: -0.0377 S12: 0.0366 S13: -0.1085 REMARK 3 S21: -0.1480 S22: -0.1094 S23: -0.1321 REMARK 3 S31: 0.1035 S32: -0.0433 S33: -0.0001 REMARK 3 TLS GROUP : 5 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 246 THROUGH 264 ) REMARK 3 ORIGIN FOR THE GROUP (A): 9.5564 4.3393 -12.0064 REMARK 3 T TENSOR REMARK 3 T11: 0.2107 T22: 0.1940 REMARK 3 T33: 0.2702 T12: 0.0373 REMARK 3 T13: -0.0094 T23: -0.0203 REMARK 3 L TENSOR REMARK 3 L11: 0.6708 L22: 0.9871 REMARK 3 L33: 1.5676 L12: -0.1672 REMARK 3 L13: 0.9591 L23: -0.4785 REMARK 3 S TENSOR REMARK 3 S11: 0.1415 S12: -0.1258 S13: 0.1007 REMARK 3 S21: -0.0552 S22: -0.0893 S23: -0.0918 REMARK 3 S31: 0.1894 S32: 0.1698 S33: 0.0002 REMARK 3 TLS GROUP : 6 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 265 THROUGH 277 ) REMARK 3 ORIGIN FOR THE GROUP (A): 5.2496 7.7710 2.9947 REMARK 3 T TENSOR REMARK 3 T11: 0.2591 T22: 0.3879 REMARK 3 T33: 0.2754 T12: 0.0245 REMARK 3 T13: 0.0045 T23: -0.0462 REMARK 3 L TENSOR REMARK 3 L11: 0.5635 L22: 0.1639 REMARK 3 L33: 0.5453 L12: -0.0124 REMARK 3 L13: 0.3169 L23: -0.1118 REMARK 3 S TENSOR REMARK 3 S11: 0.0551 S12: -0.4713 S13: 0.1515 REMARK 3 S21: 0.2535 S22: -0.1213 S23: 0.1054 REMARK 3 S31: -0.0524 S32: -0.4792 S33: -0.0000 REMARK 3 TLS GROUP : 7 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 278 THROUGH 297 ) REMARK 3 ORIGIN FOR THE GROUP (A): 14.1590 7.7519 -0.0380 REMARK 3 T TENSOR REMARK 3 T11: 0.2009 T22: 0.2731 REMARK 3 T33: 0.2194 T12: 0.0036 REMARK 3 T13: -0.0263 T23: -0.0026 REMARK 3 L TENSOR REMARK 3 L11: 0.7763 L22: 0.2367 REMARK 3 L33: 0.4373 L12: 0.4086 REMARK 3 L13: 0.5500 L23: 0.1810 REMARK 3 S TENSOR REMARK 3 S11: 0.0357 S12: -0.1323 S13: -0.0638 REMARK 3 S21: 0.1584 S22: -0.0718 S23: -0.1112 REMARK 3 S31: 0.1717 S32: 0.0970 S33: -0.0000 REMARK 3 TLS GROUP : 8 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 298 THROUGH 307 ) REMARK 3 ORIGIN FOR THE GROUP (A): 19.5262 14.0293 -0.6067 REMARK 3 T TENSOR REMARK 3 T11: 0.2890 T22: 0.3345 REMARK 3 T33: 0.2432 T12: -0.0393 REMARK 3 T13: -0.0042 T23: 0.0329 REMARK 3 L TENSOR REMARK 3 L11: 0.5217 L22: 0.3582 REMARK 3 L33: 0.1485 L12: -0.0597 REMARK 3 L13: 0.2629 L23: -0.1123 REMARK 3 S TENSOR REMARK 3 S11: -0.1319 S12: -0.1700 S13: -0.0519 REMARK 3 S21: 0.1836 S22: -0.0679 S23: 0.0902 REMARK 3 S31: -0.1966 S32: 0.6075 S33: -0.0005 REMARK 3 TLS GROUP : 9 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 308 THROUGH 312 ) REMARK 3 ORIGIN FOR THE GROUP (A): 21.8693 1.8841 -2.1937 REMARK 3 T TENSOR REMARK 3 T11: 0.2847 T22: 0.5142 REMARK 3 T33: 0.3282 T12: 0.0664 REMARK 3 T13: -0.0552 T23: 0.0163 REMARK 3 L TENSOR REMARK 3 L11: 0.3507 L22: 0.1498 REMARK 3 L33: 0.1540 L12: 0.2259 REMARK 3 L13: -0.2114 L23: -0.1140 REMARK 3 S TENSOR REMARK 3 S11: 0.5681 S12: -0.2222 S13: -0.2022 REMARK 3 S21: -0.1583 S22: -0.3594 S23: -0.1498 REMARK 3 S31: 0.0470 S32: 1.5225 S33: 0.0231 REMARK 3 TLS GROUP : 10 REMARK 3 SELECTION: CHAIN 'B' AND (RESID 1 THROUGH 11 ) REMARK 3 ORIGIN FOR THE GROUP (A): 8.5323 17.4347 -7.3120 REMARK 3 T TENSOR REMARK 3 T11: 0.3183 T22: 0.2581 REMARK 3 T33: 0.4054 T12: 0.0245 REMARK 3 T13: -0.0563 T23: -0.0110 REMARK 3 L TENSOR REMARK 3 L11: 0.2446 L22: 0.2468 REMARK 3 L33: 0.2049 L12: 0.0182 REMARK 3 L13: 0.1008 L23: 0.0599 REMARK 3 S TENSOR REMARK 3 S11: -0.1422 S12: -0.2877 S13: 0.5956 REMARK 3 S21: -0.0526 S22: -0.2754 S23: 0.1154 REMARK 3 S31: -0.4402 S32: -0.3607 S33: -0.0007 REMARK 3 TLS GROUP : 11 REMARK 3 SELECTION: CHAIN 'B' AND (RESID 12 THROUGH 26 ) REMARK 3 ORIGIN FOR THE GROUP (A): -7.0508 14.5042 -20.5813 REMARK 3 T TENSOR REMARK 3 T11: 0.2962 T22: 0.2811 REMARK 3 T33: 0.4258 T12: 0.0055 REMARK 3 T13: -0.0259 T23: -0.0344 REMARK 3 L TENSOR REMARK 3 L11: 0.6581 L22: 0.5242 REMARK 3 L33: 0.4828 L12: -0.2241 REMARK 3 L13: -0.3594 L23: -0.2982 REMARK 3 S TENSOR REMARK 3 S11: -0.2862 S12: 0.0129 S13: -0.1118 REMARK 3 S21: 0.2613 S22: 0.1008 S23: 0.6638 REMARK 3 S31: 0.2046 S32: -0.2772 S33: -0.0023 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 5B76 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 09-JUN-16. REMARK 100 THE DEPOSITION ID IS D_1300000652. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 17-NOV-14 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRF REMARK 200 BEAMLINE : BL17U REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97893 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 21315 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.650 REMARK 200 RESOLUTION RANGE LOW (A) : 24.100 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.5 REMARK 200 DATA REDUNDANCY : 8.600 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 44.2000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.65 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.68 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: 4LLB REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 50.07 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.46 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: POLYETHYLENE GLYCOL 4000, LITHIUM REMARK 280 SULFATE, TRIS, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 24.06000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 38.05450 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 23.81650 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 38.05450 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 24.06000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 23.81650 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2680 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 8870 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -40.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 ARG A 313 REMARK 465 LYS A 314 REMARK 465 LYS A 315 REMARK 465 GLY A 316 REMARK 465 ARG A 317 REMARK 465 LYS A 318 REMARK 465 LEU A 319 REMARK 465 LEU A 320 REMARK 465 GLN A 321 REMARK 465 LYS A 322 REMARK 465 LYS A 323 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 602 O HOH A 604 2.01 REMARK 500 O HOH A 519 O HOH A 589 2.01 REMARK 500 O HOH A 606 O HOH A 611 2.10 REMARK 500 OD1 ASP A 294 O HOH A 501 2.13 REMARK 500 O HOH A 525 O HOH A 560 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 O HOH A 620 O HOH B 232 3544 2.06 REMARK 500 O HOH A 562 O HOH A 592 3544 2.06 REMARK 500 O HOH A 513 O HOH B 230 3544 2.06 REMARK 500 O HOH A 518 O HOH A 543 4555 2.07 REMARK 500 O HOH A 515 O HOH B 226 4555 2.16 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 PRO A 207 35.71 -83.13 REMARK 500 GLN A 271 -67.41 -106.15 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 639 DISTANCE = 6.27 ANGSTROMS 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 ZN A 403 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 209 SG REMARK 620 2 CYS A 212 SG 112.4 REMARK 620 3 HIS A 238 ND1 99.3 98.2 REMARK 620 4 CYS A 241 SG 112.4 112.6 120.5 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 404 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 230 SG REMARK 620 2 CYS A 233 SG 105.8 REMARK 620 3 CYS A 259 SG 110.9 115.6 REMARK 620 4 CYS A 262 SG 107.2 116.5 100.6 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 402 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 265 SG REMARK 620 2 CYS A 268 SG 107.9 REMARK 620 3 HIS A 289 ND1 103.0 96.3 REMARK 620 4 CYS A 292 SG 115.1 116.5 115.8 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 401 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 281 SG REMARK 620 2 CYS A 284 SG 106.5 REMARK 620 3 CYS A 307 SG 108.0 111.1 REMARK 620 4 CYS A 310 SG 112.5 104.4 114.0 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 401 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 402 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 403 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 404 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 A 405 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 A 406 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 B 101 DBREF 5B76 A 194 323 UNP Q92794 KAT6A_HUMAN 194 323 DBREF 5B76 B 1 25 UNP K7EMV3 K7EMV3_HUMAN 2 26 SEQADV 5B76 SER A 193 UNP Q92794 EXPRESSION TAG SEQADV 5B76 NH2 B 26 UNP K7EMV3 AMIDATION SEQRES 1 A 131 SER LEU PRO HIS GLU LYS ASP LYS PRO VAL ALA GLU PRO SEQRES 2 A 131 ILE PRO ILE CYS SER PHE CYS LEU GLY THR LYS GLU GLN SEQRES 3 A 131 ASN ARG GLU LYS LYS PRO GLU GLU LEU ILE SER CYS ALA SEQRES 4 A 131 ASP CYS GLY ASN SER GLY HIS PRO SER CYS LEU LYS PHE SEQRES 5 A 131 SER PRO GLU LEU THR VAL ARG VAL LYS ALA LEU ARG TRP SEQRES 6 A 131 GLN CYS ILE GLU CYS LYS THR CYS SER SER CYS ARG ASP SEQRES 7 A 131 GLN GLY LYS ASN ALA ASP ASN MET LEU PHE CYS ASP SER SEQRES 8 A 131 CYS ASP ARG GLY PHE HIS MET GLU CYS CYS ASP PRO PRO SEQRES 9 A 131 LEU THR ARG MET PRO LYS GLY MET TRP ILE CYS GLN ILE SEQRES 10 A 131 CYS ARG PRO ARG LYS LYS GLY ARG LYS LEU LEU GLN LYS SEQRES 11 A 131 LYS SEQRES 1 B 26 ALA ARG THR LYS GLN THR ALA ARG LYS SER THR GLY GLY SEQRES 2 B 26 KCR ALA PRO ARG LYS GLN LEU ALA THR LYS ALA ALA NH2 MODRES 5B76 KCR B 14 LYS MODIFIED RESIDUE HET KCR B 14 30 HET NH2 B 26 1 HET ZN A 401 1 HET ZN A 402 1 HET ZN A 403 1 HET ZN A 404 1 HET SO4 A 405 5 HET SO4 A 406 5 HET SO4 B 101 5 HETNAM KCR N-6-CROTONYL-L-LYSINE HETNAM NH2 AMINO GROUP HETNAM ZN ZINC ION HETNAM SO4 SULFATE ION FORMUL 2 KCR C10 H18 N2 O3 FORMUL 2 NH2 H2 N FORMUL 3 ZN 4(ZN 2+) FORMUL 7 SO4 3(O4 S 2-) FORMUL 10 HOH *180(H2 O) HELIX 1 AA1 HIS A 238 LYS A 243 1 6 HELIX 2 AA2 SER A 245 ALA A 254 1 10 HELIX 3 AA3 ASN A 274 ASN A 277 5 4 HELIX 4 AA4 HIS A 289 CYS A 293 5 5 HELIX 5 AA5 LYS B 4 GLY B 12 1 9 HELIX 6 AA6 PRO B 16 ALA B 25 1 10 SHEET 1 AA1 2 ILE A 228 SER A 229 0 SHEET 2 AA1 2 SER A 236 GLY A 237 -1 O GLY A 237 N ILE A 228 SHEET 1 AA2 3 GLY A 287 PHE A 288 0 SHEET 2 AA2 3 LEU A 279 PHE A 280 -1 N LEU A 279 O PHE A 288 SHEET 3 AA2 3 ARG B 2 THR B 3 -1 O ARG B 2 N PHE A 280 LINK SG CYS A 209 ZN ZN A 403 1555 1555 2.31 LINK SG CYS A 212 ZN ZN A 403 1555 1555 2.34 LINK SG CYS A 230 ZN ZN A 404 1555 1555 2.33 LINK SG CYS A 233 ZN ZN A 404 1555 1555 2.32 LINK ND1 HIS A 238 ZN ZN A 403 1555 1555 2.09 LINK SG CYS A 241 ZN ZN A 403 1555 1555 2.31 LINK SG CYS A 259 ZN ZN A 404 1555 1555 2.34 LINK SG CYS A 262 ZN ZN A 404 1555 1555 2.27 LINK SG CYS A 265 ZN ZN A 402 1555 1555 2.37 LINK SG CYS A 268 ZN ZN A 402 1555 1555 2.32 LINK SG CYS A 281 ZN ZN A 401 1555 1555 2.29 LINK SG CYS A 284 ZN ZN A 401 1555 1555 2.34 LINK ND1 HIS A 289 ZN ZN A 402 1555 1555 2.20 LINK SG CYS A 292 ZN ZN A 402 1555 1555 2.31 LINK SG CYS A 307 ZN ZN A 401 1555 1555 2.28 LINK SG CYS A 310 ZN ZN A 401 1555 1555 2.26 LINK C GLY B 13 N KCR B 14 1555 1555 1.33 LINK C KCR B 14 N ALA B 15 1555 1555 1.33 LINK C ALA B 25 N NH2 B 26 1555 1555 1.33 CISPEP 1 ASP A 294 PRO A 295 0 1.12 SITE 1 AC1 4 CYS A 281 CYS A 284 CYS A 307 CYS A 310 SITE 1 AC2 4 CYS A 265 CYS A 268 HIS A 289 CYS A 292 SITE 1 AC3 4 CYS A 209 CYS A 212 HIS A 238 CYS A 241 SITE 1 AC4 4 CYS A 230 CYS A 233 CYS A 259 CYS A 262 SITE 1 AC5 3 LYS A 302 GLY A 303 ALA B 1 SITE 1 AC6 2 ARG A 299 HOH A 560 SITE 1 AC7 5 PRO B 16 ARG B 17 HOH B 202 HOH B 205 SITE 2 AC7 5 HOH B 208 CRYST1 48.120 47.633 76.109 90.00 90.00 90.00 P 21 21 21 4 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 0.020781 0.000000 0.000000 0.00000 SCALE2 0.000000 0.020994 0.000000 0.00000 SCALE3 0.000000 0.000000 0.013139 0.00000 ATOM 1 N SER A 193 12.521 -5.387 -7.850 1.00 71.09 N ANISOU 1 N SER A 193 7882 9806 9320 -171 -1989 179 N ATOM 2 CA SER A 193 13.373 -6.458 -7.347 1.00 76.84 C ANISOU 2 CA SER A 193 8551 10720 9924 164 -2290 372 C ATOM 3 C SER A 193 13.054 -6.752 -5.885 1.00 78.90 C ANISOU 3 C SER A 193 9033 11189 9755 214 -2490 503 C ATOM 4 O SER A 193 13.347 -7.837 -5.385 1.00 87.37 O ANISOU 4 O SER A 193 10225 12321 10650 528 -2682 761 O ATOM 5 CB SER A 193 14.851 -6.091 -7.494 1.00 80.89 C ANISOU 5 CB SER A 193 8607 11551 10578 231 -2480 151 C ATOM 6 OG SER A 193 15.140 -5.593 -8.792 1.00 79.55 O ANISOU 6 OG SER A 193 8231 11197 10795 126 -2261 -19 O ATOM 7 HA SER A 193 13.208 -7.264 -7.861 1.00 92.21 H ATOM 8 HB2 SER A 193 15.070 -5.408 -6.841 1.00 97.07 H ATOM 9 HB3 SER A 193 15.387 -6.883 -7.336 1.00 97.07 H ATOM 10 HG SER A 193 14.684 -4.905 -8.944 1.00 95.46 H ATOM 11 N LEU A 194 12.460 -5.779 -5.200 1.00 66.42 N ANISOU 11 N LEU A 194 7522 9714 8002 -84 -2431 328 N ATOM 12 CA LEU A 194 12.070 -5.986 -3.817 1.00 68.48 C ANISOU 12 CA LEU A 194 8013 10162 7846 -64 -2594 439 C ATOM 13 C LEU A 194 10.969 -7.045 -3.735 1.00 67.60 C ANISOU 13 C LEU A 194 8358 9715 7613 53 -2463 777 C ATOM 14 O LEU A 194 10.146 -7.167 -4.647 1.00 57.25 O ANISOU 14 O LEU A 194 7193 8041 6516 -38 -2184 820 O ATOM 15 CB LEU A 194 11.580 -4.681 -3.195 1.00 64.45 C ANISOU 15 CB LEU A 194 7489 9794 7205 -438 -2512 165 C ATOM 16 CG LEU A 194 12.608 -3.558 -3.032 1.00 66.86 C ANISOU 16 CG LEU A 194 7369 10460 7573 -611 -2617 -212 C ATOM 17 CD1 LEU A 194 11.951 -2.342 -2.395 1.00 66.52 C ANISOU 17 CD1 LEU A 194 7389 10494 7391 -988 -2486 -455 C ATOM 18 CD2 LEU A 194 13.804 -4.015 -2.206 1.00 73.49 C ANISOU 18 CD2 LEU A 194 7972 11754 8197 -353 -3006 -213 C ATOM 19 H LEU A 194 12.275 -5.000 -5.512 1.00 79.71 H ATOM 20 HA LEU A 194 12.835 -6.299 -3.310 1.00 82.18 H ATOM 21 HB2 LEU A 194 10.863 -4.333 -3.748 1.00 77.34 H ATOM 22 HB3 LEU A 194 11.233 -4.880 -2.311 1.00 77.34 H ATOM 23 HG LEU A 194 12.932 -3.298 -3.909 1.00 80.23 H ATOM 24 HD11 LEU A 194 12.613 -1.640 -2.298 1.00 79.82 H ATOM 25 HD12 LEU A 194 11.228 -2.039 -2.966 1.00 79.82 H ATOM 26 HD13 LEU A 194 11.603 -2.591 -1.524 1.00 79.82 H ATOM 27 HD21 LEU A 194 14.431 -3.280 -2.125 1.00 88.19 H ATOM 28 HD22 LEU A 194 13.496 -4.285 -1.327 1.00 88.19 H ATOM 29 HD23 LEU A 194 14.228 -4.765 -2.653 1.00 88.19 H ATOM 30 N PRO A 195 10.938 -7.834 -2.655 1.00 66.70 N ANISOU 30 N PRO A 195 8475 9719 7147 260 -2646 1009 N ATOM 31 CA PRO A 195 9.884 -8.857 -2.533 1.00 63.52 C ANISOU 31 CA PRO A 195 8533 8975 6627 348 -2479 1315 C ATOM 32 C PRO A 195 8.471 -8.314 -2.704 1.00 64.76 C ANISOU 32 C PRO A 195 8920 8875 6812 4 -2170 1226 C ATOM 33 O PRO A 195 7.661 -8.933 -3.406 1.00 59.31 O ANISOU 33 O PRO A 195 8445 7822 6268 2 -1923 1349 O ATOM 34 CB PRO A 195 10.115 -9.414 -1.122 1.00 65.08 C ANISOU 34 CB PRO A 195 8926 9420 6380 567 -2726 1509 C ATOM 35 CG PRO A 195 11.561 -9.206 -0.875 1.00 68.78 C ANISOU 35 CG PRO A 195 8998 10322 6814 769 -3061 1396 C ATOM 36 CD PRO A 195 11.902 -7.907 -1.541 1.00 64.39 C ANISOU 36 CD PRO A 195 8039 9880 6545 457 -3003 1007 C ATOM 37 HA PRO A 195 10.031 -9.565 -3.181 1.00 76.23 H ATOM 38 HB2 PRO A 195 9.580 -8.920 -0.482 1.00 78.09 H ATOM 39 HB3 PRO A 195 9.894 -10.359 -1.101 1.00 78.09 H ATOM 40 HG2 PRO A 195 11.723 -9.153 0.080 1.00 82.54 H ATOM 41 HG3 PRO A 195 12.066 -9.935 -1.268 1.00 82.54 H ATOM 42 HD2 PRO A 195 11.767 -7.167 -0.929 1.00 77.26 H ATOM 43 HD3 PRO A 195 12.810 -7.928 -1.880 1.00 77.26 H ATOM 44 N HIS A 196 8.148 -7.176 -2.085 1.00 79.33 N ANISOU 44 N HIS A 196 10715 10909 8518 -286 -2171 997 N ATOM 45 CA HIS A 196 6.800 -6.625 -2.172 1.00 81.59 C ANISOU 45 CA HIS A 196 11215 10981 8804 -592 -1888 906 C ATOM 46 C HIS A 196 6.507 -5.975 -3.519 1.00 75.24 C ANISOU 46 C HIS A 196 10243 9970 8374 -750 -1638 721 C ATOM 47 O HIS A 196 5.346 -5.648 -3.788 1.00 75.84 O ANISOU 47 O HIS A 196 10493 9846 8477 -948 -1385 663 O ATOM 48 CB HIS A 196 6.566 -5.607 -1.046 1.00 84.63 C ANISOU 48 CB HIS A 196 11608 11634 8911 -839 -1962 722 C ATOM 49 CG HIS A 196 7.139 -4.249 -1.316 1.00 85.63 C ANISOU 49 CG HIS A 196 11376 11962 9197 -1056 -1969 381 C ATOM 50 ND1 HIS A 196 8.433 -3.908 -0.986 1.00 88.34 N ANISOU 50 ND1 HIS A 196 11385 12664 9517 -984 -2229 238 N ATOM 51 CD2 HIS A 196 6.586 -3.140 -1.862 1.00 80.73 C ANISOU 51 CD2 HIS A 196 10689 11233 8751 -1341 -1726 142 C ATOM 52 CE1 HIS A 196 8.656 -2.651 -1.328 1.00 85.26 C ANISOU 52 CE1 HIS A 196 10742 12354 9298 -1245 -2122 -85 C ATOM 53 NE2 HIS A 196 7.552 -2.162 -1.862 1.00 82.39 N ANISOU 53 NE2 HIS A 196 10552 11697 9053 -1452 -1813 -132 N ATOM 54 H HIS A 196 8.692 -6.707 -1.610 1.00 95.19 H ATOM 55 HA HIS A 196 6.164 -7.347 -2.051 1.00 97.91 H ATOM 56 HB2 HIS A 196 5.610 -5.504 -0.915 1.00101.55 H ATOM 57 HB3 HIS A 196 6.974 -5.944 -0.233 1.00101.55 H ATOM 58 HD1 HIS A 196 9.007 -4.432 -0.619 1.00106.01 H ATOM 59 HD2 HIS A 196 5.717 -3.057 -2.183 1.00 96.88 H ATOM 60 HE1 HIS A 196 9.455 -2.190 -1.213 1.00102.31 H ATOM 61 N GLU A 197 7.521 -5.773 -4.361 1.00 62.23 N ANISOU 61 N GLU A 197 8265 8377 7002 -657 -1698 622 N ATOM 62 CA GLU A 197 7.315 -5.269 -5.714 1.00 52.96 C ANISOU 62 CA GLU A 197 6954 6990 6178 -752 -1454 481 C ATOM 63 C GLU A 197 7.035 -6.394 -6.703 1.00 57.41 C ANISOU 63 C GLU A 197 7627 7248 6936 -554 -1326 683 C ATOM 64 O GLU A 197 6.209 -6.231 -7.608 1.00 55.21 O ANISOU 64 O GLU A 197 7413 6737 6828 -647 -1064 629 O ATOM 65 CB GLU A 197 8.537 -4.466 -6.168 1.00 55.55 C ANISOU 65 CB GLU A 197 6882 7508 6718 -772 -1539 256 C ATOM 66 CG GLU A 197 8.721 -3.142 -5.427 1.00 53.28 C ANISOU 66 CG GLU A 197 6458 7480 6306 -1041 -1570 -25 C ATOM 67 CD GLU A 197 10.035 -2.456 -5.756 1.00 58.30 C ANISOU 67 CD GLU A 197 6689 8329 7134 -1067 -1657 -268 C ATOM 68 OE1 GLU A 197 10.919 -3.105 -6.353 1.00 60.08 O ANISOU 68 OE1 GLU A 197 6728 8561 7538 -841 -1766 -195 O ATOM 69 OE2 GLU A 197 10.183 -1.265 -5.413 1.00 54.37 O ANISOU 69 OE2 GLU A 197 6058 7987 6614 -1325 -1598 -548 O ATOM 70 H GLU A 197 8.346 -5.923 -4.168 1.00 74.67 H ATOM 71 HA GLU A 197 6.550 -4.673 -5.714 1.00 63.55 H ATOM 72 HB2 GLU A 197 9.334 -5.000 -6.022 1.00 66.67 H ATOM 73 HB3 GLU A 197 8.445 -4.266 -7.113 1.00 66.67 H ATOM 74 HG2 GLU A 197 8.000 -2.541 -5.672 1.00 63.94 H ATOM 75 HG3 GLU A 197 8.702 -3.310 -4.472 1.00 63.94 H ATOM 76 N LYS A 198 7.692 -7.543 -6.537 1.00 65.03 N ANISOU 76 N LYS A 198 8621 8221 7867 -270 -1498 909 N ATOM 77 CA LYS A 198 7.431 -8.712 -7.370 1.00 70.80 C ANISOU 77 CA LYS A 198 9485 8650 8764 -83 -1366 1108 C ATOM 78 C LYS A 198 6.039 -9.276 -7.107 1.00 72.86 C ANISOU 78 C LYS A 198 10132 8675 8875 -176 -1153 1224 C ATOM 79 O LYS A 198 5.608 -10.206 -7.797 1.00 66.26 O ANISOU 79 O LYS A 198 9434 7570 8172 -81 -983 1348 O ATOM 80 CB LYS A 198 8.479 -9.799 -7.111 1.00 69.83 C ANISOU 80 CB LYS A 198 9333 8596 8605 260 -1595 1334 C ATOM 81 CG LYS A 198 9.900 -9.438 -7.517 1.00 70.41 C ANISOU 81 CG LYS A 198 8996 8893 8864 386 -1795 1215 C ATOM 82 CD LYS A 198 10.870 -10.562 -7.169 1.00 76.30 C ANISOU 82 CD LYS A 198 9731 9729 9531 764 -2032 1452 C ATOM 83 CE LYS A 198 12.300 -10.197 -7.526 1.00 78.35 C ANISOU 83 CE LYS A 198 9550 10254 9966 886 -2241 1302 C ATOM 84 NZ LYS A 198 13.263 -11.306 -7.256 1.00 81.19 N ANISOU 84 NZ LYS A 198 9879 10715 10254 1296 -2474 1530 N ATOM 85 H LYS A 198 8.299 -7.670 -5.942 1.00 78.04 H ATOM 86 HA LYS A 198 7.484 -8.456 -8.304 1.00 84.96 H ATOM 87 HB2 LYS A 198 8.488 -9.998 -6.162 1.00 83.80 H ATOM 88 HB3 LYS A 198 8.226 -10.594 -7.607 1.00 83.80 H ATOM 89 HG2 LYS A 198 9.933 -9.292 -8.475 1.00 84.49 H ATOM 90 HG3 LYS A 198 10.176 -8.638 -7.043 1.00 84.49 H ATOM 91 HD2 LYS A 198 10.830 -10.735 -6.215 1.00 91.56 H ATOM 92 HD3 LYS A 198 10.627 -11.359 -7.665 1.00 91.56 H ATOM 93 HE2 LYS A 198 12.345 -9.984 -8.472 1.00 94.02 H ATOM 94 HE3 LYS A 198 12.571 -9.429 -7.000 1.00 94.02 H ATOM 95 HZ1 LYS A 198 14.087 -11.053 -7.478 1.00 97.43 H ATOM 96 HZ2 LYS A 198 13.248 -11.517 -6.391 1.00 97.43 H ATOM 97 HZ3 LYS A 198 13.042 -12.023 -7.733 1.00 97.43 H ATOM 98 N ASP A 199 5.316 -8.716 -6.128 1.00 79.47 N ANISOU 98 N ASP A 199 11138 9612 9444 -379 -1141 1162 N ATOM 99 CA ASP A 199 4.127 -9.363 -5.598 1.00 80.71 C ANISOU 99 CA ASP A 199 11678 9588 9402 -450 -977 1288 C ATOM 100 C ASP A 199 2.820 -8.614 -5.830 1.00 69.99 C ANISOU 100 C ASP A 199 10405 8140 8049 -744 -721 1095 C ATOM 101 O ASP A 199 1.760 -9.244 -5.747 1.00 76.82 O ANISOU 101 O ASP A 199 11546 8809 8835 -809 -521 1160 O ATOM 102 CB ASP A 199 4.290 -9.597 -4.088 1.00 87.52 C ANISOU 102 CB ASP A 199 12742 10630 9881 -399 -1174 1429 C ATOM 103 CG ASP A 199 3.493 -10.788 -3.599 1.00 90.72 C ANISOU 103 CG ASP A 199 13569 10796 10105 -331 -1028 1666 C ATOM 104 OD1 ASP A 199 3.547 -11.840 -4.269 1.00 88.73 O ANISOU 104 OD1 ASP A 199 13401 10298 10012 -155 -914 1820 O ATOM 105 OD2 ASP A 199 2.816 -10.670 -2.558 1.00 95.76 O ANISOU 105 OD2 ASP A 199 14458 11479 10447 -463 -1004 1688 O ATOM 106 H ASP A 199 5.499 -7.962 -5.759 1.00 95.36 H ATOM 107 HA ASP A 199 4.040 -10.233 -6.019 1.00 96.86 H ATOM 108 HB2 ASP A 199 5.225 -9.760 -3.891 1.00105.02 H ATOM 109 HB3 ASP A 199 3.981 -8.812 -3.610 1.00105.02 H ATOM 110 N LYS A 200 2.849 -7.310 -6.100 1.00 50.00 N ANISOU 110 N LYS A 200 7656 5742 5600 -917 -702 853 N ATOM 111 CA LYS A 200 1.621 -6.551 -6.317 1.00 43.80 C ANISOU 111 CA LYS A 200 6949 4889 4803 -1157 -461 673 C ATOM 112 C LYS A 200 1.277 -6.539 -7.803 1.00 38.28 C ANISOU 112 C LYS A 200 6128 4013 4406 -1121 -244 583 C ATOM 113 O LYS A 200 2.087 -6.058 -8.607 1.00 35.85 O ANISOU 113 O LYS A 200 5558 3740 4323 -1048 -279 503 O ATOM 114 CB LYS A 200 1.772 -5.129 -5.814 1.00 44.08 C ANISOU 114 CB LYS A 200 6852 5141 4754 -1350 -515 464 C ATOM 115 CG LYS A 200 1.604 -4.965 -4.305 1.00 57.41 C ANISOU 115 CG LYS A 200 8715 7004 6093 -1467 -651 493 C ATOM 116 CD LYS A 200 1.660 -3.497 -3.885 1.00 53.84 C ANISOU 116 CD LYS A 200 8131 6747 5579 -1692 -656 248 C ATOM 117 CE LYS A 200 3.007 -2.868 -4.215 1.00 55.36 C ANISOU 117 CE LYS A 200 7984 7108 5942 -1642 -804 128 C ATOM 118 NZ LYS A 200 3.113 -1.453 -3.757 1.00 59.24 N ANISOU 118 NZ LYS A 200 8356 7776 6375 -1883 -778 -130 N ATOM 119 H LYS A 200 3.568 -6.842 -6.163 1.00 60.00 H ATOM 120 HA LYS A 200 0.891 -6.972 -5.836 1.00 52.56 H ATOM 121 HB2 LYS A 200 2.658 -4.811 -6.047 1.00 52.89 H ATOM 122 HB3 LYS A 200 1.103 -4.576 -6.246 1.00 52.89 H ATOM 123 HG2 LYS A 200 0.743 -5.323 -4.039 1.00 68.89 H ATOM 124 HG3 LYS A 200 2.319 -5.438 -3.851 1.00 68.89 H ATOM 125 HD2 LYS A 200 0.971 -3.003 -4.356 1.00 64.61 H ATOM 126 HD3 LYS A 200 1.523 -3.434 -2.927 1.00 64.61 H ATOM 127 HE2 LYS A 200 3.709 -3.377 -3.780 1.00 66.43 H ATOM 128 HE3 LYS A 200 3.135 -2.882 -5.177 1.00 66.43 H ATOM 129 HZ1 LYS A 200 3.912 -1.124 -3.969 1.00 71.09 H ATOM 130 HZ2 LYS A 200 2.483 -0.960 -4.148 1.00 71.09 H ATOM 131 HZ3 LYS A 200 3.007 -1.411 -2.875 1.00 71.09 H ATOM 132 N PRO A 201 0.115 -7.051 -8.212 1.00 40.41 N ANISOU 132 N PRO A 201 6567 4105 4682 -1170 -14 576 N ATOM 133 CA PRO A 201 -0.250 -7.008 -9.633 1.00 30.37 C ANISOU 133 CA PRO A 201 5162 2710 3667 -1122 186 467 C ATOM 134 C PRO A 201 -0.210 -5.599 -10.210 1.00 31.12 C ANISOU 134 C PRO A 201 5056 2903 3865 -1195 253 256 C ATOM 135 O PRO A 201 -0.282 -4.593 -9.500 1.00 30.60 O ANISOU 135 O PRO A 201 4996 2974 3658 -1345 218 153 O ATOM 136 CB PRO A 201 -1.672 -7.578 -9.648 1.00 30.47 C ANISOU 136 CB PRO A 201 5396 2597 3583 -1226 417 430 C ATOM 137 CG PRO A 201 -1.675 -8.539 -8.501 1.00 35.83 C ANISOU 137 CG PRO A 201 6339 3226 4050 -1228 336 626 C ATOM 138 CD PRO A 201 -0.822 -7.885 -7.438 1.00 40.74 C ANISOU 138 CD PRO A 201 6928 4047 4505 -1242 77 677 C ATOM 139 HA PRO A 201 0.334 -7.585 -10.150 1.00 36.44 H ATOM 140 HB2 PRO A 201 -2.316 -6.866 -9.507 1.00 36.56 H ATOM 141 HB3 PRO A 201 -1.837 -8.037 -10.487 1.00 36.56 H ATOM 142 HG2 PRO A 201 -2.583 -8.666 -8.183 1.00 43.00 H ATOM 143 HG3 PRO A 201 -1.288 -9.383 -8.781 1.00 43.00 H ATOM 144 HD2 PRO A 201 -1.369 -7.330 -6.860 1.00 48.89 H ATOM 145 HD3 PRO A 201 -0.339 -8.557 -6.933 1.00 48.89 H ATOM 146 N VAL A 202 -0.103 -5.549 -11.536 1.00 24.78 N ANISOU 146 N VAL A 202 4091 2016 3309 -1081 374 193 N ATOM 147 CA VAL A 202 0.068 -4.313 -12.291 1.00 23.18 C ANISOU 147 CA VAL A 202 3709 1860 3237 -1091 473 22 C ATOM 148 C VAL A 202 -1.266 -3.936 -12.919 1.00 21.01 C ANISOU 148 C VAL A 202 3469 1595 2920 -1087 701 -118 C ATOM 149 O VAL A 202 -1.954 -4.788 -13.495 1.00 22.07 O ANISOU 149 O VAL A 202 3605 1713 3067 -966 769 -104 O ATOM 150 CB VAL A 202 1.158 -4.480 -13.365 1.00 31.58 C ANISOU 150 CB VAL A 202 4548 2865 4585 -910 439 52 C ATOM 151 CG1 VAL A 202 1.188 -3.300 -14.322 1.00 37.00 C ANISOU 151 CG1 VAL A 202 5094 3550 5413 -898 613 -116 C ATOM 152 CG2 VAL A 202 2.520 -4.668 -12.709 1.00 35.46 C ANISOU 152 CG2 VAL A 202 4930 3447 5096 -869 178 151 C ATOM 153 H VAL A 202 -0.129 -6.247 -12.038 1.00 29.74 H ATOM 154 HA VAL A 202 0.336 -3.602 -11.689 1.00 27.81 H ATOM 155 HB VAL A 202 0.966 -5.277 -13.884 1.00 37.90 H ATOM 156 HG11 VAL A 202 1.886 -3.445 -14.980 1.00 44.40 H ATOM 157 HG12 VAL A 202 0.327 -3.229 -14.763 1.00 44.40 H ATOM 158 HG13 VAL A 202 1.371 -2.491 -13.819 1.00 44.40 H ATOM 159 HG21 VAL A 202 3.192 -4.772 -13.401 1.00 42.55 H ATOM 160 HG22 VAL A 202 2.719 -3.889 -12.167 1.00 42.55 H ATOM 161 HG23 VAL A 202 2.494 -5.462 -12.151 1.00 42.55 H ATOM 162 N ALA A 203 -1.626 -2.658 -12.820 1.00 20.30 N ANISOU 162 N ALA A 203 3293 1956 2464 -41 -471 -79 N ATOM 163 CA ALA A 203 -2.875 -2.171 -13.388 1.00 20.35 C ANISOU 163 CA ALA A 203 3234 2007 2490 -61 -469 -9 C ATOM 164 C ALA A 203 -2.783 -2.070 -14.909 1.00 21.74 C ANISOU 164 C ALA A 203 3412 2180 2668 -89 -508 -19 C ATOM 165 O ALA A 203 -1.700 -1.994 -15.493 1.00 22.65 O ANISOU 165 O ALA A 203 3572 2265 2770 -76 -521 -83 O ATOM 166 CB ALA A 203 -3.233 -0.805 -12.802 1.00 20.85 C ANISOU 166 CB ALA A 203 3247 2103 2571 -4 -404 10 C ATOM 167 H ALA A 203 -1.160 -2.052 -12.426 1.00 24.36 H ATOM 168 HA ALA A 203 -3.588 -2.791 -13.168 1.00 24.42 H ATOM 169 HB1 ALA A 203 -4.066 -0.502 -13.195 1.00 25.01 H ATOM 170 HB2 ALA A 203 -3.331 -0.890 -11.841 1.00 25.01 H ATOM 171 HB3 ALA A 203 -2.522 -0.178 -13.008 1.00 25.01 H ATOM 172 N GLU A 204 -3.947 -2.056 -15.546 1.00 22.28 N ANISOU 172 N GLU A 204 3432 2282 2753 -128 -526 47 N ATOM 173 CA GLU A 204 -4.004 -1.946 -16.999 1.00 19.74 C ANISOU 173 CA GLU A 204 3105 1961 2433 -158 -563 46 C ATOM 174 C GLU A 204 -3.472 -0.585 -17.439 1.00 23.95 C ANISOU 174 C GLU A 204 3623 2502 2974 -109 -527 14 C ATOM 175 O GLU A 204 -3.969 0.447 -16.975 1.00 20.00 O ANISOU 175 O GLU A 204 3074 2031 2494 -73 -479 44 O ATOM 176 CB GLU A 204 -5.435 -2.124 -17.494 1.00 20.00 C ANISOU 176 CB GLU A 204 3083 2030 2485 -208 -585 131 C ATOM 177 CG GLU A 204 -5.598 -1.931 -19.002 1.00 23.53 C ANISOU 177 CG GLU A 204 3521 2483 2936 -241 -622 136 C ATOM 178 CD GLU A 204 -7.036 -2.063 -19.458 1.00 27.49 C ANISOU 178 CD GLU A 204 3967 3021 3459 -290 -643 224 C ATOM 179 OE1 GLU A 204 -7.840 -2.674 -18.727 1.00 30.02 O ANISOU 179 OE1 GLU A 204 4267 3354 3785 -313 -646 277 O ATOM 180 OE2 GLU A 204 -7.361 -1.548 -20.550 1.00 31.64 O ANISOU 180 OE2 GLU A 204 4466 3562 3994 -307 -656 241 O ATOM 181 H GLU A 204 -4.716 -2.108 -15.164 1.00 26.74 H ATOM 182 HA GLU A 204 -3.452 -2.636 -17.398 1.00 23.68 H ATOM 183 HB2 GLU A 204 -5.731 -3.022 -17.277 1.00 24.00 H ATOM 184 HB3 GLU A 204 -6.002 -1.475 -17.050 1.00 24.00 H ATOM 185 HG2 GLU A 204 -5.287 -1.044 -19.242 1.00 28.23 H ATOM 186 HG3 GLU A 204 -5.073 -2.603 -19.465 1.00 28.23 H ATOM 187 N PRO A 205 -2.495 -0.533 -18.344 1.00 21.77 N ANISOU 187 N PRO A 205 3386 2202 2683 -107 -550 -43 N ATOM 188 CA PRO A 205 -1.939 0.763 -18.752 1.00 20.00 C ANISOU 188 CA PRO A 205 3147 1984 2466 -61 -519 -72 C ATOM 189 C PRO A 205 -2.862 1.521 -19.691 1.00 21.09 C ANISOU 189 C PRO A 205 3225 2160 2627 -80 -522 -20 C ATOM 190 O PRO A 205 -3.499 0.943 -20.576 1.00 23.81 O ANISOU 190 O PRO A 205 3560 2514 2972 -134 -565 14 O ATOM 191 CB PRO A 205 -0.630 0.378 -19.455 1.00 25.72 C ANISOU 191 CB PRO A 205 3934 2673 3164 -61 -550 -146 C ATOM 192 CG PRO A 205 -0.858 -1.002 -19.954 1.00 26.31 C ANISOU 192 CG PRO A 205 4040 2733 3223 -121 -609 -140 C ATOM 193 CD PRO A 205 -1.832 -1.660 -19.022 1.00 23.32 C ANISOU 193 CD PRO A 205 3642 2364 2854 -144 -607 -85 C ATOM 194 HA PRO A 205 -1.742 1.310 -17.975 1.00 23.99 H ATOM 195 HB2 PRO A 205 -0.463 0.987 -20.192 1.00 30.86 H ATOM 196 HB3 PRO A 205 0.102 0.398 -18.819 1.00 30.86 H ATOM 197 HG2 PRO A 205 -1.225 -0.962 -20.851 1.00 31.57 H ATOM 198 HG3 PRO A 205 -0.016 -1.484 -19.956 1.00 31.57 H ATOM 199 HD2 PRO A 205 -2.479 -2.179 -19.524 1.00 27.98 H ATOM 200 HD3 PRO A 205 -1.361 -2.211 -18.377 1.00 27.98 H ATOM 201 N ILE A 206 -2.930 2.832 -19.485 1.00 24.03 N ANISOU 201 N ILE A 206 3558 2552 3020 -33 -476 -13 N ATOM 202 CA ILE A 206 -3.637 3.735 -20.384 1.00 19.78 C ANISOU 202 CA ILE A 206 2963 2048 2506 -42 -475 29 C ATOM 203 C ILE A 206 -2.658 4.156 -21.477 1.00 20.75 C ANISOU 203 C ILE A 206 3109 2157 2617 -36 -495 -22 C ATOM 204 O ILE A 206 -1.597 4.714 -21.152 1.00 23.96 O ANISOU 204 O ILE A 206 3542 2545 3017 12 -472 -76 O ATOM 205 CB ILE A 206 -4.191 4.955 -19.641 1.00 22.72 C ANISOU 205 CB ILE A 206 3279 2446 2906 7 -419 61 C ATOM 206 CG1 ILE A 206 -5.336 4.536 -18.715 1.00 28.98 C ANISOU 206 CG1 ILE A 206 4039 3262 3710 -4 -402 122 C ATOM 207 CG2 ILE A 206 -4.689 6.011 -20.617 1.00 22.99 C ANISOU 207 CG2 ILE A 206 3260 2509 2966 5 -418 92 C ATOM 208 CD1 ILE A 206 -4.985 4.548 -17.256 1.00 47.00 C ANISOU 208 CD1 ILE A 206 6339 5533 5985 44 -360 100 C ATOM 209 H ILE A 206 -2.565 3.231 -18.816 1.00 28.83 H ATOM 210 HA ILE A 206 -4.378 3.265 -20.799 1.00 23.74 H ATOM 211 HB ILE A 206 -3.481 5.340 -19.103 1.00 27.26 H ATOM 212 HG12 ILE A 206 -6.079 5.145 -18.844 1.00 34.77 H ATOM 213 HG13 ILE A 206 -5.608 3.634 -18.945 1.00 34.77 H ATOM 214 HG21 ILE A 206 -5.031 6.768 -20.116 1.00 27.59 H ATOM 215 HG22 ILE A 206 -3.951 6.293 -21.180 1.00 27.59 H ATOM 216 HG23 ILE A 206 -5.394 5.629 -21.163 1.00 27.59 H ATOM 217 HD11 ILE A 206 -5.761 4.272 -16.744 1.00 56.40 H ATOM 218 HD12 ILE A 206 -4.251 3.933 -17.104 1.00 56.40 H ATOM 219 HD13 ILE A 206 -4.723 5.447 -17.002 1.00 56.40 H ATOM 220 N PRO A 207 -2.960 3.918 -22.761 1.00 20.89 N ANISOU 220 N PRO A 207 3118 2186 2633 -84 -537 -5 N ATOM 221 CA PRO A 207 -1.952 4.157 -23.804 1.00 22.38 C ANISOU 221 CA PRO A 207 3335 2364 2805 -82 -560 -56 C ATOM 222 C PRO A 207 -1.868 5.607 -24.262 1.00 22.62 C ANISOU 222 C PRO A 207 3321 2416 2857 -50 -535 -51 C ATOM 223 O PRO A 207 -1.622 5.876 -25.442 1.00 24.83 O ANISOU 223 O PRO A 207 3598 2706 3133 -68 -561 -59 O ATOM 224 CB PRO A 207 -2.416 3.235 -24.936 1.00 23.82 C ANISOU 224 CB PRO A 207 3526 2551 2975 -149 -617 -36 C ATOM 225 CG PRO A 207 -3.900 3.229 -24.800 1.00 24.13 C ANISOU 225 CG PRO A 207 3508 2619 3041 -181 -615 45 C ATOM 226 CD PRO A 207 -4.189 3.322 -23.319 1.00 21.74 C ANISOU 226 CD PRO A 207 3194 2316 2751 -145 -570 61 C ATOM 227 HA PRO A 207 -1.078 3.869 -23.496 1.00 26.86 H ATOM 228 HB2 PRO A 207 -2.147 3.602 -25.793 1.00 28.59 H ATOM 229 HB3 PRO A 207 -2.052 2.345 -24.809 1.00 28.59 H ATOM 230 HG2 PRO A 207 -4.271 3.994 -25.268 1.00 28.96 H ATOM 231 HG3 PRO A 207 -4.255 2.403 -25.165 1.00 28.96 H ATOM 232 HD2 PRO A 207 -4.948 3.904 -23.159 1.00 26.09 H ATOM 233 HD3 PRO A 207 -4.334 2.438 -22.947 1.00 26.09 H ATOM 234 N ILE A 208 -2.058 6.549 -23.342 1.00 19.16 N ANISOU 234 N ILE A 208 2852 1986 2442 -1 -486 -38 N ATOM 235 CA ILE A 208 -2.009 7.973 -23.647 1.00 17.87 C ANISOU 235 CA ILE A 208 2646 1841 2304 34 -462 -32 C ATOM 236 C ILE A 208 -1.149 8.658 -22.596 1.00 17.33 C ANISOU 236 C ILE A 208 2597 1752 2236 102 -420 -75 C ATOM 237 O ILE A 208 -1.260 8.363 -21.402 1.00 21.80 O ANISOU 237 O ILE A 208 3175 2307 2800 125 -393 -76 O ATOM 238 CB ILE A 208 -3.416 8.606 -23.685 1.00 19.57 C ANISOU 238 CB ILE A 208 2787 2093 2556 23 -446 44 C ATOM 239 CG1 ILE A 208 -4.290 7.917 -24.738 1.00 23.69 C ANISOU 239 CG1 ILE A 208 3290 2633 3077 -47 -490 91 C ATOM 240 CG2 ILE A 208 -3.322 10.097 -23.986 1.00 20.14 C ANISOU 240 CG2 ILE A 208 2816 2181 2655 61 -424 48 C ATOM 241 CD1 ILE A 208 -5.769 8.133 -24.532 1.00 34.02 C ANISOU 241 CD1 ILE A 208 4535 3975 4418 -66 -477 170 C ATOM 242 H ILE A 208 -2.221 6.382 -22.514 1.00 22.99 H ATOM 243 HA ILE A 208 -1.592 8.102 -24.514 1.00 21.44 H ATOM 244 HB ILE A 208 -3.831 8.491 -22.816 1.00 23.49 H ATOM 245 HG12 ILE A 208 -4.058 8.265 -25.613 1.00 28.42 H ATOM 246 HG13 ILE A 208 -4.122 6.962 -24.708 1.00 28.42 H ATOM 247 HG21 ILE A 208 -4.217 10.472 -24.004 1.00 24.17 H ATOM 248 HG22 ILE A 208 -2.798 10.527 -23.291 1.00 24.17 H ATOM 249 HG23 ILE A 208 -2.894 10.219 -24.847 1.00 24.17 H ATOM 250 HD11 ILE A 208 -6.256 7.671 -25.232 1.00 40.83 H ATOM 251 HD12 ILE A 208 -6.022 7.781 -23.664 1.00 40.83 H ATOM 252 HD13 ILE A 208 -5.957 9.084 -24.570 1.00 40.83 H ATOM 253 N CYS A 209 -0.295 9.575 -23.041 1.00 19.51 N ANISOU 253 N CYS A 209 2875 2023 2514 133 -416 -109 N ATOM 254 CA CYS A 209 0.529 10.342 -22.117 1.00 19.93 C ANISOU 254 CA CYS A 209 2945 2057 2571 198 -380 -148 C ATOM 255 C CYS A 209 -0.333 11.363 -21.384 1.00 20.17 C ANISOU 255 C CYS A 209 2920 2107 2637 234 -339 -106 C ATOM 256 O CYS A 209 -0.999 12.190 -22.015 1.00 17.93 O ANISOU 256 O CYS A 209 2583 1851 2381 228 -340 -67 O ATOM 257 CB CYS A 209 1.661 11.037 -22.867 1.00 18.54 C ANISOU 257 CB CYS A 209 2784 1873 2389 217 -392 -190 C ATOM 258 SG CYS A 209 2.702 12.064 -21.817 1.00 19.40 S ANISOU 258 SG CYS A 209 2912 1955 2505 295 -353 -235 S ATOM 259 H CYS A 209 -0.176 9.771 -23.870 1.00 23.41 H ATOM 260 HA CYS A 209 0.919 9.743 -21.460 1.00 23.92 H ATOM 261 HB2 CYS A 209 2.226 10.362 -23.276 1.00 22.25 H ATOM 262 HB3 CYS A 209 1.279 11.605 -23.554 1.00 22.25 H ATOM 263 N SER A 210 -0.315 11.306 -20.050 1.00 18.64 N ANISOU 263 N SER A 210 2742 1900 2442 272 -304 -116 N ATOM 264 CA SER A 210 -1.133 12.202 -19.243 1.00 17.00 C ANISOU 264 CA SER A 210 2485 1710 2264 312 -263 -79 C ATOM 265 C SER A 210 -0.719 13.658 -19.385 1.00 17.62 C ANISOU 265 C SER A 210 2540 1788 2365 360 -247 -92 C ATOM 266 O SER A 210 -1.493 14.549 -19.016 1.00 17.73 O ANISOU 266 O SER A 210 2505 1822 2409 389 -220 -57 O ATOM 267 CB SER A 210 -1.049 11.807 -17.769 1.00 24.35 C ANISOU 267 CB SER A 210 3444 2625 3183 346 -229 -94 C ATOM 268 OG SER A 210 -1.706 10.581 -17.525 1.00 26.15 O ANISOU 268 OG SER A 210 3678 2861 3397 302 -240 -67 O ATOM 269 H SER A 210 0.164 10.757 -19.593 1.00 22.37 H ATOM 270 HA SER A 210 -2.059 12.124 -19.523 1.00 20.40 H ATOM 271 HB2 SER A 210 -0.115 11.717 -17.521 1.00 29.22 H ATOM 272 HB3 SER A 210 -1.467 12.499 -17.234 1.00 29.22 H ATOM 273 HG SER A 210 -1.354 9.970 -17.981 1.00 31.38 H ATOM 274 N PHE A 211 0.487 13.920 -19.888 1.00 16.42 N ANISOU 274 N PHE A 211 2423 1614 2201 372 -265 -141 N ATOM 275 CA PHE A 211 1.028 15.272 -19.947 1.00 19.94 C ANISOU 275 CA PHE A 211 2854 2054 2668 419 -254 -157 C ATOM 276 C PHE A 211 0.816 15.941 -21.301 1.00 19.36 C ANISOU 276 C PHE A 211 2738 2004 2614 393 -282 -132 C ATOM 277 O PHE A 211 0.365 17.088 -21.352 1.00 19.77 O ANISOU 277 O PHE A 211 2742 2072 2700 419 -269 -106 O ATOM 278 CB PHE A 211 2.519 15.244 -19.596 1.00 18.13 C ANISOU 278 CB PHE A 211 2687 1787 2415 452 -255 -223 C ATOM 279 CG PHE A 211 2.799 14.664 -18.241 1.00 20.84 C ANISOU 279 CG PHE A 211 3073 2105 2741 480 -228 -249 C ATOM 280 CD1 PHE A 211 2.733 15.454 -17.107 1.00 20.64 C ANISOU 280 CD1 PHE A 211 3041 2070 2731 539 -190 -253 C ATOM 281 CD2 PHE A 211 3.107 13.322 -18.098 1.00 20.08 C ANISOU 281 CD2 PHE A 211 3023 1993 2612 448 -242 -270 C ATOM 282 CE1 PHE A 211 2.980 14.919 -15.858 1.00 32.20 C ANISOU 282 CE1 PHE A 211 4544 3513 4177 563 -165 -276 C ATOM 283 CE2 PHE A 211 3.355 12.782 -16.852 1.00 23.50 C ANISOU 283 CE2 PHE A 211 3495 2404 3030 471 -218 -293 C ATOM 284 CZ PHE A 211 3.291 13.581 -15.732 1.00 27.72 C ANISOU 284 CZ PHE A 211 4022 2932 3579 528 -179 -295 C ATOM 285 H PHE A 211 1.017 13.321 -20.204 1.00 19.70 H ATOM 286 HA PHE A 211 0.579 15.814 -19.280 1.00 23.93 H ATOM 287 HB2 PHE A 211 2.987 14.706 -20.253 1.00 21.76 H ATOM 288 HB3 PHE A 211 2.862 16.152 -19.608 1.00 21.76 H ATOM 289 HD1 PHE A 211 2.523 16.357 -17.187 1.00 24.77 H ATOM 290 HD2 PHE A 211 3.151 12.778 -18.852 1.00 24.09 H ATOM 291 HE1 PHE A 211 2.937 15.460 -15.103 1.00 38.64 H ATOM 292 HE2 PHE A 211 3.565 11.880 -16.769 1.00 28.20 H ATOM 293 HZ PHE A 211 3.459 13.219 -14.892 1.00 33.27 H ATOM 294 N CYS A 212 1.126 15.258 -22.405 1.00 17.78 N ANISOU 294 N CYS A 212 2554 1809 2393 342 -320 -140 N ATOM 295 CA CYS A 212 0.953 15.845 -23.728 1.00 21.74 C ANISOU 295 CA CYS A 212 3016 2335 2910 314 -349 -116 C ATOM 296 C CYS A 212 -0.203 15.242 -24.512 1.00 19.35 C ANISOU 296 C CYS A 212 2678 2062 2611 252 -370 -64 C ATOM 297 O CYS A 212 -0.521 15.749 -25.593 1.00 22.04 O ANISOU 297 O CYS A 212 2980 2427 2968 225 -392 -36 O ATOM 298 CB CYS A 212 2.248 15.716 -24.548 1.00 22.94 C ANISOU 298 CB CYS A 212 3207 2474 3034 306 -379 -164 C ATOM 299 SG CYS A 212 2.627 14.050 -25.132 1.00 19.82 S ANISOU 299 SG CYS A 212 2867 2072 2593 250 -414 -190 S ATOM 300 H CYS A 212 1.436 14.456 -22.413 1.00 21.34 H ATOM 301 HA CYS A 212 0.769 16.792 -23.621 1.00 26.09 H ATOM 302 HB2 CYS A 212 2.176 16.289 -25.328 1.00 27.52 H ATOM 303 HB3 CYS A 212 2.991 16.008 -23.998 1.00 27.52 H ATOM 304 N LEU A 213 -0.843 14.192 -23.998 1.00 18.45 N ANISOU 304 N LEU A 213 3365 1905 1740 110 -374 -18 N ATOM 305 CA LEU A 213 -1.960 13.503 -24.642 1.00 18.65 C ANISOU 305 CA LEU A 213 3516 1869 1703 102 -457 -46 C ATOM 306 C LEU A 213 -1.552 12.785 -25.921 1.00 26.47 C ANISOU 306 C LEU A 213 4658 2805 2594 178 -419 -39 C ATOM 307 O LEU A 213 -2.424 12.356 -26.689 1.00 27.39 O ANISOU 307 O LEU A 213 4891 2869 2648 175 -482 -62 O ATOM 308 CB LEU A 213 -3.120 14.459 -24.946 1.00 21.29 C ANISOU 308 CB LEU A 213 3846 2192 2051 46 -527 -58 C ATOM 309 CG LEU A 213 -3.684 15.206 -23.735 1.00 21.02 C ANISOU 309 CG LEU A 213 3669 2205 2111 -31 -571 -71 C ATOM 310 CD1 LEU A 213 -4.862 16.072 -24.152 1.00 21.39 C ANISOU 310 CD1 LEU A 213 3726 2232 2168 -78 -638 -79 C ATOM 311 CD2 LEU A 213 -4.097 14.249 -22.627 1.00 22.96 C ANISOU 311 CD2 LEU A 213 3877 2465 2381 -65 -626 -96 C ATOM 312 H LEU A 213 -0.636 13.846 -23.239 1.00 22.14 H ATOM 313 HA LEU A 213 -2.294 12.830 -24.029 1.00 22.39 H ATOM 314 HB2 LEU A 213 -2.813 15.124 -25.581 1.00 25.55 H ATOM 315 HB3 LEU A 213 -3.846 13.948 -25.337 1.00 25.55 H ATOM 316 HG LEU A 213 -2.997 15.792 -23.381 1.00 25.22 H ATOM 317 HD11 LEU A 213 -5.204 16.536 -23.372 1.00 25.66 H ATOM 318 HD12 LEU A 213 -4.563 16.714 -24.814 1.00 25.66 H ATOM 319 HD13 LEU A 213 -5.553 15.504 -24.529 1.00 25.66 H ATOM 320 HD21 LEU A 213 -4.448 14.761 -21.882 1.00 27.55 H ATOM 321 HD22 LEU A 213 -4.779 13.649 -22.967 1.00 27.55 H ATOM 322 HD23 LEU A 213 -3.321 13.741 -22.344 1.00 27.55 H ATOM 323 N GLY A 214 -0.258 12.638 -26.173 1.00 21.78 N ANISOU 323 N GLY A 214 4067 2223 1984 245 -318 -8 N ATOM 324 CA GLY A 214 0.192 11.827 -27.279 1.00 22.13 C ANISOU 324 CA GLY A 214 4255 2218 1936 322 -275 -4 C ATOM 325 C GLY A 214 0.212 10.352 -26.929 1.00 24.82 C ANISOU 325 C GLY A 214 4652 2526 2253 343 -290 -26 C ATOM 326 O GLY A 214 -0.028 9.943 -25.794 1.00 26.40 O ANISOU 326 O GLY A 214 4773 2749 2510 302 -328 -36 O ATOM 327 H GLY A 214 0.375 12.999 -25.716 1.00 26.13 H ATOM 328 HA2 GLY A 214 -0.399 11.956 -28.038 1.00 26.56 H ATOM 329 HA3 GLY A 214 1.088 12.096 -27.536 1.00 26.56 H ATOM 330 N THR A 215 0.505 9.542 -27.939 1.00 26.27 N ANISOU 330 N THR A 215 4976 2656 2350 409 -258 -32 N ATOM 331 CA THR A 215 0.621 8.102 -27.794 1.00 24.77 C ANISOU 331 CA THR A 215 4858 2423 2132 441 -259 -51 C ATOM 332 C THR A 215 2.088 7.708 -27.912 1.00 24.81 C ANISOU 332 C THR A 215 4863 2439 2126 527 -138 -13 C ATOM 333 O THR A 215 2.977 8.560 -28.011 1.00 26.42 O ANISOU 333 O THR A 215 4999 2689 2349 554 -61 28 O ATOM 334 CB THR A 215 -0.226 7.388 -28.849 1.00 32.38 C ANISOU 334 CB THR A 215 5990 3309 3004 450 -318 -95 C ATOM 335 OG1 THR A 215 0.339 7.619 -30.146 1.00 32.73 O ANISOU 335 OG1 THR A 215 6136 3335 2966 518 -252 -83 O ATOM 336 CG2 THR A 215 -1.663 7.889 -28.822 1.00 44.20 C ANISOU 336 CG2 THR A 215 7484 4801 4510 366 -436 -124 C ATOM 337 H THR A 215 0.645 9.815 -28.742 1.00 31.52 H ATOM 338 HA THR A 215 0.303 7.839 -26.916 1.00 29.73 H ATOM 339 HB THR A 215 -0.231 6.435 -28.666 1.00 38.86 H ATOM 340 HG1 THR A 215 -0.121 7.230 -30.732 1.00 39.28 H ATOM 341 HG21 THR A 215 -2.187 7.428 -29.496 1.00 53.04 H ATOM 342 HG22 THR A 215 -2.055 7.724 -27.950 1.00 53.04 H ATOM 343 HG23 THR A 215 -1.685 8.842 -29.003 1.00 53.04 H ATOM 344 N LYS A 216 2.344 6.399 -27.915 1.00 24.78 N ANISOU 344 N LYS A 216 4934 2390 2093 571 -120 -25 N ATOM 345 CA LYS A 216 3.688 5.921 -28.203 1.00 26.80 C ANISOU 345 CA LYS A 216 5213 2645 2327 662 -4 11 C ATOM 346 C LYS A 216 4.173 6.399 -29.563 1.00 35.04 C ANISOU 346 C LYS A 216 6351 3672 3292 724 61 23 C ATOM 347 O LYS A 216 5.385 6.420 -29.808 1.00 30.65 O ANISOU 347 O LYS A 216 5783 3135 2728 796 169 66 O ATOM 348 CB LYS A 216 3.725 4.393 -28.150 1.00 27.69 C ANISOU 348 CB LYS A 216 5414 2694 2413 700 -1 -10 C ATOM 349 CG LYS A 216 2.905 3.732 -29.243 1.00 33.50 C ANISOU 349 CG LYS A 216 6327 3344 3058 709 -52 -66 C ATOM 350 CD LYS A 216 2.839 2.229 -29.061 1.00 44.21 C ANISOU 350 CD LYS A 216 7762 4632 4405 735 -58 -92 C ATOM 351 CE LYS A 216 1.839 1.602 -30.016 1.00 44.72 C ANISOU 351 CE LYS A 216 7992 4612 4388 723 -130 -158 C ATOM 352 NZ LYS A 216 1.661 0.150 -29.743 1.00 53.40 N ANISOU 352 NZ LYS A 216 9159 5638 5491 736 -145 -187 N ATOM 353 H LYS A 216 1.767 5.782 -27.756 1.00 29.74 H ATOM 354 HA LYS A 216 4.297 6.261 -27.529 1.00 32.17 H ATOM 355 HB2 LYS A 216 4.644 4.098 -28.247 1.00 33.23 H ATOM 356 HB3 LYS A 216 3.373 4.100 -27.295 1.00 33.23 H ATOM 357 HG2 LYS A 216 2.001 4.081 -29.220 1.00 40.20 H ATOM 358 HG3 LYS A 216 3.313 3.916 -30.104 1.00 40.20 H ATOM 359 HD2 LYS A 216 3.712 1.846 -29.239 1.00 53.06 H ATOM 360 HD3 LYS A 216 2.562 2.028 -28.153 1.00 53.06 H ATOM 361 HE2 LYS A 216 0.979 2.038 -29.911 1.00 53.67 H ATOM 362 HE3 LYS A 216 2.158 1.703 -30.926 1.00 53.67 H ATOM 363 HZ1 LYS A 216 1.072 -0.196 -30.313 1.00 64.08 H ATOM 364 HZ2 LYS A 216 2.438 -0.274 -29.837 1.00 64.08 H ATOM 365 HZ3 LYS A 216 1.364 0.031 -28.913 1.00 64.08 H ATOM 366 N GLU A 217 3.254 6.786 -30.450 1.00 31.09 N ANISOU 366 N GLU A 217 5940 3140 2732 699 -2 -10 N ATOM 367 CA GLU A 217 3.616 7.202 -31.796 1.00 32.84 C ANISOU 367 CA GLU A 217 6260 3347 2870 758 53 1 C ATOM 368 C GLU A 217 4.039 8.662 -31.876 1.00 32.09 C ANISOU 368 C GLU A 217 6066 3316 2813 749 95 49 C ATOM 369 O GLU A 217 4.631 9.061 -32.883 1.00 33.39 O ANISOU 369 O GLU A 217 6287 3481 2920 809 165 76 O ATOM 370 CB GLU A 217 2.437 6.976 -32.747 1.00 34.06 C ANISOU 370 CB GLU A 217 6556 3447 2940 734 -36 -52 C ATOM 371 CG GLU A 217 1.876 5.560 -32.738 1.00 37.51 C ANISOU 371 CG GLU A 217 7100 3813 3340 733 -89 -107 C ATOM 372 CD GLU A 217 2.897 4.517 -33.152 1.00 55.67 C ANISOU 372 CD GLU A 217 9487 6073 5592 827 8 -105 C ATOM 373 OE1 GLU A 217 3.960 4.900 -33.684 1.00 56.35 O ANISOU 373 OE1 GLU A 217 9575 6183 5652 899 113 -63 O ATOM 374 OE2 GLU A 217 2.633 3.313 -32.944 1.00 55.76 O ANISOU 374 OE2 GLU A 217 9564 6026 5595 830 -19 -143 O ATOM 375 H GLU A 217 2.409 6.814 -30.291 1.00 37.31 H ATOM 376 HA GLU A 217 4.358 6.659 -32.105 1.00 39.41 H ATOM 377 HB2 GLU A 217 1.718 7.578 -32.498 1.00 40.87 H ATOM 378 HB3 GLU A 217 2.727 7.171 -33.652 1.00 40.87 H ATOM 379 HG2 GLU A 217 1.575 5.345 -31.841 1.00 45.01 H ATOM 380 HG3 GLU A 217 1.131 5.512 -33.357 1.00 45.01 H ATOM 381 N GLN A 218 3.753 9.468 -30.855 1.00 29.83 N ANISOU 381 N GLN A 218 5633 3080 2620 677 56 61 N ATOM 382 CA GLN A 218 3.975 10.907 -30.962 1.00 28.43 C ANISOU 382 CA GLN A 218 5367 2953 2484 657 83 98 C ATOM 383 C GLN A 218 4.165 11.503 -29.574 1.00 31.27 C ANISOU 383 C GLN A 218 5547 3374 2959 598 77 114 C ATOM 384 O GLN A 218 3.226 11.526 -28.773 1.00 27.54 O ANISOU 384 O GLN A 218 5023 2908 2533 522 -13 83 O ATOM 385 CB GLN A 218 2.801 11.570 -31.677 1.00 32.03 C ANISOU 385 CB GLN A 218 5879 3388 2903 613 2 76 C ATOM 386 CG GLN A 218 3.182 12.792 -32.485 1.00 44.83 C ANISOU 386 CG GLN A 218 7486 5034 4514 636 58 121 C ATOM 387 CD GLN A 218 1.987 13.525 -33.077 1.00 49.63 C ANISOU 387 CD GLN A 218 8131 5629 5098 587 -25 107 C ATOM 388 OE1 GLN A 218 2.077 14.711 -33.392 1.00 57.59 O ANISOU 388 OE1 GLN A 218 9086 6664 6133 580 0 144 O ATOM 389 NE2 GLN A 218 0.864 12.827 -33.235 1.00 54.86 N ANISOU 389 NE2 GLN A 218 8881 6250 5712 554 -124 56 N ATOM 390 H GLN A 218 3.435 9.210 -30.099 1.00 35.79 H ATOM 391 HA GLN A 218 4.779 11.072 -31.478 1.00 34.12 H ATOM 392 HB2 GLN A 218 2.402 10.926 -32.284 1.00 38.43 H ATOM 393 HB3 GLN A 218 2.147 11.845 -31.015 1.00 38.43 H ATOM 394 HG2 GLN A 218 3.656 13.412 -31.910 1.00 53.80 H ATOM 395 HG3 GLN A 218 3.755 12.517 -33.218 1.00 53.80 H ATOM 396 HE21 GLN A 218 0.836 11.998 -33.005 1.00 65.83 H ATOM 397 HE22 GLN A 218 0.165 13.204 -33.566 1.00 65.83 H ATOM 398 N ASN A 219 5.366 11.995 -29.299 1.00 29.83 N ANISOU 398 N ASN A 219 5271 3240 2821 630 172 163 N ATOM 399 CA ASN A 219 5.623 12.778 -28.104 1.00 27.55 C ANISOU 399 CA ASN A 219 4811 3018 2639 573 174 178 C ATOM 400 C ASN A 219 5.512 14.265 -28.451 1.00 26.48 C ANISOU 400 C ASN A 219 4619 2905 2539 542 182 198 C ATOM 401 O ASN A 219 4.920 14.638 -29.471 1.00 28.65 O ANISOU 401 O ASN A 219 4983 3144 2759 549 159 194 O ATOM 402 CB ASN A 219 6.991 12.397 -27.519 1.00 24.96 C ANISOU 402 CB ASN A 219 4406 2733 2345 620 267 219 C ATOM 403 CG ASN A 219 8.149 12.732 -28.448 1.00 30.77 C ANISOU 403 CG ASN A 219 5171 3472 3047 701 381 271 C ATOM 404 OD1 ASN A 219 7.978 13.405 -29.463 1.00 30.15 O ANISOU 404 OD1 ASN A 219 5153 3373 2929 717 393 281 O ATOM 405 ND2 ASN A 219 9.340 12.268 -28.092 1.00 29.04 N ANISOU 405 ND2 ASN A 219 4904 3284 2845 753 465 310 N ATOM 406 H ASN A 219 6.057 11.888 -29.799 1.00 35.79 H ATOM 407 HA ASN A 219 4.946 12.573 -27.440 1.00 33.06 H ATOM 408 HB2 ASN A 219 7.125 12.880 -26.689 1.00 29.95 H ATOM 409 HB3 ASN A 219 7.008 11.442 -27.352 1.00 29.95 H ATOM 410 HD21 ASN A 219 10.028 12.428 -28.582 1.00 34.85 H ATOM 411 HD22 ASN A 219 9.424 11.807 -27.371 1.00 34.85 H ATOM 412 N ARG A 220 6.078 15.129 -27.604 1.00 26.64 N ANISOU 412 N ARG A 220 4487 2985 2650 507 216 221 N ATOM 413 CA ARG A 220 5.944 16.564 -27.825 1.00 26.12 C ANISOU 413 CA ARG A 220 4357 2936 2632 471 223 238 C ATOM 414 C ARG A 220 6.783 17.051 -28.997 1.00 37.11 C ANISOU 414 C ARG A 220 5798 4318 3983 542 317 290 C ATOM 415 O ARG A 220 6.510 18.131 -29.530 1.00 36.14 O ANISOU 415 O ARG A 220 5664 4191 3877 524 319 306 O ATOM 416 CB ARG A 220 6.312 17.328 -26.554 1.00 31.15 C ANISOU 416 CB ARG A 220 4817 3637 3380 409 232 241 C ATOM 417 CG ARG A 220 5.158 17.414 -25.576 1.00 28.93 C ANISOU 417 CG ARG A 220 4480 3366 3147 322 128 190 C ATOM 418 CD ARG A 220 5.553 18.050 -24.261 1.00 22.90 C ANISOU 418 CD ARG A 220 3546 2671 2485 263 136 185 C ATOM 419 NE ARG A 220 4.382 18.256 -23.413 1.00 21.70 N ANISOU 419 NE ARG A 220 3342 2526 2375 180 39 137 N ATOM 420 CZ ARG A 220 4.407 18.316 -22.085 1.00 19.03 C ANISOU 420 CZ ARG A 220 2880 2245 2104 125 16 115 C ATOM 421 NH1 ARG A 220 5.549 18.183 -21.422 1.00 19.33 N ANISOU 421 NH1 ARG A 220 2828 2342 2174 140 79 137 N ATOM 422 NH2 ARG A 220 3.279 18.505 -21.415 1.00 20.61 N ANISOU 422 NH2 ARG A 220 3045 2448 2337 55 -71 72 N ATOM 423 H ARG A 220 6.535 14.912 -26.908 1.00 31.97 H ATOM 424 HA ARG A 220 5.016 16.760 -28.027 1.00 31.35 H ATOM 425 HB2 ARG A 220 7.047 16.874 -26.112 1.00 37.37 H ATOM 426 HB3 ARG A 220 6.574 18.231 -26.791 1.00 37.37 H ATOM 427 HG2 ARG A 220 4.451 17.951 -25.968 1.00 34.72 H ATOM 428 HG3 ARG A 220 4.833 16.520 -25.391 1.00 34.72 H ATOM 429 HD2 ARG A 220 6.171 17.467 -23.794 1.00 27.48 H ATOM 430 HD3 ARG A 220 5.964 18.912 -24.430 1.00 27.48 H ATOM 431 HE ARG A 220 3.620 18.344 -23.801 1.00 26.04 H ATOM 432 HH11 ARG A 220 6.284 18.059 -21.852 1.00 23.20 H ATOM 433 HH12 ARG A 220 5.555 18.223 -20.563 1.00 23.20 H ATOM 434 HH21 ARG A 220 2.536 18.591 -21.839 1.00 24.73 H ATOM 435 HH22 ARG A 220 3.291 18.544 -20.556 1.00 24.73 H ATOM 436 N GLU A 221 7.789 16.285 -29.415 1.00 36.11 N ANISOU 436 N GLU A 221 5725 4188 3806 623 397 319 N ATOM 437 CA GLU A 221 8.573 16.612 -30.597 1.00 38.40 C ANISOU 437 CA GLU A 221 6077 4469 4047 699 488 369 C ATOM 438 C GLU A 221 8.092 15.857 -31.829 1.00 40.41 C ANISOU 438 C GLU A 221 6513 4664 4179 756 472 353 C ATOM 439 O GLU A 221 8.826 15.759 -32.818 1.00 50.27 O ANISOU 439 O GLU A 221 7835 5901 5364 836 554 391 O ATOM 440 CB GLU A 221 10.051 16.332 -30.337 1.00 41.44 C ANISOU 440 CB GLU A 221 6402 4890 4452 758 595 417 C ATOM 441 CG GLU A 221 10.626 17.163 -29.205 1.00 49.41 C ANISOU 441 CG GLU A 221 7230 5965 5578 703 617 436 C ATOM 442 CD GLU A 221 12.034 16.750 -28.843 1.00 56.06 C ANISOU 442 CD GLU A 221 8009 6849 6442 756 713 483 C ATOM 443 OE1 GLU A 221 12.310 15.531 -28.835 1.00 67.28 O ANISOU 443 OE1 GLU A 221 9496 8256 7811 809 728 479 O ATOM 444 OE2 GLU A 221 12.867 17.642 -28.576 1.00 61.42 O ANISOU 444 OE2 GLU A 221 8572 7575 7191 746 774 524 O ATOM 445 H GLU A 221 8.038 15.561 -29.024 1.00 43.33 H ATOM 446 HA GLU A 221 8.480 17.561 -30.778 1.00 46.09 H ATOM 447 HB2 GLU A 221 10.158 15.396 -30.105 1.00 49.72 H ATOM 448 HB3 GLU A 221 10.555 16.533 -31.141 1.00 49.72 H ATOM 449 HG2 GLU A 221 10.646 18.094 -29.473 1.00 59.29 H ATOM 450 HG3 GLU A 221 10.069 17.055 -28.418 1.00 59.29 H ATOM 451 N LYS A 222 6.872 15.329 -31.787 1.00 42.86 N ANISOU 451 N LYS A 222 6893 4937 4453 715 368 297 N ATOM 452 CA LYS A 222 6.279 14.603 -32.906 1.00 45.55 C ANISOU 452 CA LYS A 222 7406 5221 4678 756 338 271 C ATOM 453 C LYS A 222 7.207 13.495 -33.397 1.00 46.95 C ANISOU 453 C LYS A 222 7677 5379 4785 849 417 281 C ATOM 454 O LYS A 222 7.435 13.319 -34.595 1.00 51.91 O ANISOU 454 O LYS A 222 8424 5981 5320 917 461 294 O ATOM 455 CB LYS A 222 5.908 15.559 -34.038 1.00 52.55 C ANISOU 455 CB LYS A 222 8345 6100 5522 764 339 294 C ATOM 456 CG LYS A 222 4.814 16.543 -33.654 1.00 55.16 C ANISOU 456 CG LYS A 222 8605 6439 5914 675 252 280 C ATOM 457 CD LYS A 222 4.377 17.420 -34.823 1.00 56.25 C ANISOU 457 CD LYS A 222 8801 6567 6004 686 249 307 C ATOM 458 CE LYS A 222 3.711 16.610 -35.930 1.00 59.66 C ANISOU 458 CE LYS A 222 9408 6956 6305 722 204 278 C ATOM 459 NZ LYS A 222 3.129 17.487 -36.986 1.00 63.58 N ANISOU 459 NZ LYS A 222 9952 7450 6756 724 186 305 N ATOM 460 H LYS A 222 6.354 15.380 -31.102 1.00 51.43 H ATOM 461 HA LYS A 222 5.461 14.182 -32.600 1.00 54.66 H ATOM 462 HB2 LYS A 222 6.694 16.069 -34.290 1.00 63.06 H ATOM 463 HB3 LYS A 222 5.593 15.042 -34.796 1.00 63.06 H ATOM 464 HG2 LYS A 222 4.039 16.049 -33.343 1.00 66.19 H ATOM 465 HG3 LYS A 222 5.143 17.123 -32.950 1.00 66.19 H ATOM 466 HD2 LYS A 222 3.740 18.079 -34.506 1.00 67.50 H ATOM 467 HD3 LYS A 222 5.155 17.861 -35.198 1.00 67.50 H ATOM 468 HE2 LYS A 222 4.372 16.034 -36.345 1.00 71.60 H ATOM 469 HE3 LYS A 222 2.995 16.078 -35.549 1.00 71.60 H ATOM 470 HZ1 LYS A 222 2.747 16.990 -37.618 1.00 76.30 H ATOM 471 HZ2 LYS A 222 2.514 18.024 -36.631 1.00 76.30 H ATOM 472 HZ3 LYS A 222 3.768 17.984 -37.356 1.00 76.30 H ATOM 473 N LYS A 223 7.743 12.740 -32.446 1.00 43.86 N ANISOU 473 N LYS A 223 7228 5000 4437 853 437 278 N ATOM 474 CA LYS A 223 8.531 11.556 -32.734 1.00 36.88 C ANISOU 474 CA LYS A 223 6425 4090 3496 936 504 283 C ATOM 475 C LYS A 223 8.064 10.418 -31.841 1.00 32.32 C ANISOU 475 C LYS A 223 5852 3492 2937 907 442 238 C ATOM 476 O LYS A 223 7.603 10.659 -30.720 1.00 30.66 O ANISOU 476 O LYS A 223 5531 3311 2807 831 379 224 O ATOM 477 CB LYS A 223 10.028 11.813 -32.510 1.00 42.51 C ANISOU 477 CB LYS A 223 7047 4852 4253 992 626 350 C ATOM 478 CG LYS A 223 10.591 12.927 -33.381 1.00 53.13 C ANISOU 478 CG LYS A 223 8381 6219 5587 1026 698 402 C ATOM 479 CD LYS A 223 12.099 13.064 -33.231 1.00 57.78 C ANISOU 479 CD LYS A 223 8889 6852 6214 1087 822 470 C ATOM 480 CE LYS A 223 12.487 13.564 -31.848 1.00 58.52 C ANISOU 480 CE LYS A 223 8799 7008 6429 1024 818 487 C ATOM 481 NZ LYS A 223 13.942 13.872 -31.762 1.00 63.45 N ANISOU 481 NZ LYS A 223 9334 7680 7093 1077 935 559 N ATOM 482 H LYS A 223 7.661 12.900 -31.605 1.00 52.63 H ATOM 483 HA LYS A 223 8.399 11.296 -33.660 1.00 44.25 H ATOM 484 HB2 LYS A 223 10.167 12.062 -31.583 1.00 51.01 H ATOM 485 HB3 LYS A 223 10.519 11.001 -32.710 1.00 51.01 H ATOM 486 HG2 LYS A 223 10.397 12.732 -34.312 1.00 63.76 H ATOM 487 HG3 LYS A 223 10.184 13.769 -33.125 1.00 63.76 H ATOM 488 HD2 LYS A 223 12.514 12.198 -33.367 1.00 69.34 H ATOM 489 HD3 LYS A 223 12.428 13.699 -33.886 1.00 69.34 H ATOM 490 HE2 LYS A 223 11.993 14.375 -31.651 1.00 70.23 H ATOM 491 HE3 LYS A 223 12.283 12.879 -31.192 1.00 70.23 H ATOM 492 HZ1 LYS A 223 14.144 14.162 -30.945 1.00 76.13 H ATOM 493 HZ2 LYS A 223 14.419 13.140 -31.935 1.00 76.13 H ATOM 494 HZ3 LYS A 223 14.155 14.502 -32.353 1.00 76.13 H ATOM 495 N PRO A 224 8.153 9.172 -32.309 1.00 30.79 N ANISOU 495 N PRO A 224 5784 3243 2670 966 457 215 N ATOM 496 CA PRO A 224 7.694 8.050 -31.481 1.00 28.53 C ANISOU 496 CA PRO A 224 5506 2929 2405 939 400 175 C ATOM 497 C PRO A 224 8.522 7.916 -30.212 1.00 29.73 C ANISOU 497 C PRO A 224 5510 3137 2650 934 443 213 C ATOM 498 O PRO A 224 9.735 8.137 -30.211 1.00 32.07 O ANISOU 498 O PRO A 224 5749 3470 2964 989 545 268 O ATOM 499 CB PRO A 224 7.873 6.832 -32.397 1.00 33.43 C ANISOU 499 CB PRO A 224 6295 3479 2929 1019 435 151 C ATOM 500 CG PRO A 224 8.000 7.379 -33.764 1.00 40.60 C ANISOU 500 CG PRO A 224 7301 4375 3751 1067 475 160 C ATOM 501 CD PRO A 224 8.638 8.715 -33.621 1.00 39.21 C ANISOU 501 CD PRO A 224 6998 4269 3632 1059 528 220 C ATOM 502 HA PRO A 224 6.757 8.152 -31.253 1.00 34.24 H ATOM 503 HB2 PRO A 224 8.677 6.351 -32.145 1.00 40.12 H ATOM 504 HB3 PRO A 224 7.095 6.257 -32.329 1.00 40.12 H ATOM 505 HG2 PRO A 224 8.558 6.792 -34.297 1.00 48.72 H ATOM 506 HG3 PRO A 224 7.119 7.464 -34.162 1.00 48.72 H ATOM 507 HD2 PRO A 224 9.604 8.631 -33.616 1.00 47.06 H ATOM 508 HD3 PRO A 224 8.334 9.313 -34.322 1.00 47.06 H ATOM 509 N GLU A 225 7.850 7.540 -29.126 1.00 28.13 N ANISOU 509 N GLU A 225 5245 2941 2504 867 363 186 N ATOM 510 CA GLU A 225 8.522 7.308 -27.854 1.00 27.10 C ANISOU 510 CA GLU A 225 4976 2866 2455 857 391 218 C ATOM 511 C GLU A 225 7.630 6.427 -26.997 1.00 28.42 C ANISOU 511 C GLU A 225 5141 3011 2647 806 301 178 C ATOM 512 O GLU A 225 6.460 6.755 -26.780 1.00 27.93 O ANISOU 512 O GLU A 225 5075 2940 2597 729 200 137 O ATOM 513 CB GLU A 225 8.825 8.623 -27.133 1.00 26.19 C ANISOU 513 CB GLU A 225 4694 2835 2421 803 398 248 C ATOM 514 CG GLU A 225 9.619 8.446 -25.848 1.00 24.87 C ANISOU 514 CG GLU A 225 4378 2737 2333 795 432 285 C ATOM 515 CD GLU A 225 9.892 9.757 -25.143 1.00 30.16 C ANISOU 515 CD GLU A 225 4888 3490 3082 735 436 306 C ATOM 516 OE1 GLU A 225 9.411 10.804 -25.623 1.00 30.79 O ANISOU 516 OE1 GLU A 225 4970 3566 3162 699 410 292 O ATOM 517 OE2 GLU A 225 10.591 9.740 -24.107 1.00 31.52 O ANISOU 517 OE2 GLU A 225 4929 3729 3316 725 465 336 O ATOM 518 H GLU A 225 7.000 7.412 -29.101 1.00 33.76 H ATOM 519 HA GLU A 225 9.359 6.842 -28.009 1.00 32.52 H ATOM 520 HB2 GLU A 225 9.340 9.194 -27.724 1.00 31.43 H ATOM 521 HB3 GLU A 225 7.986 9.056 -26.906 1.00 31.43 H ATOM 522 HG2 GLU A 225 9.117 7.878 -25.242 1.00 29.84 H ATOM 523 HG3 GLU A 225 10.471 8.034 -26.058 1.00 29.84 H ATOM 524 N GLU A 226 8.182 5.321 -26.509 1.00 25.27 N ANISOU 524 N GLU A 226 4740 2602 2259 849 340 194 N ATOM 525 CA GLU A 226 7.398 4.395 -25.708 1.00 26.36 C ANISOU 525 CA GLU A 226 4878 2715 2423 807 262 163 C ATOM 526 C GLU A 226 7.016 5.027 -24.374 1.00 25.81 C ANISOU 526 C GLU A 226 4643 2722 2439 719 201 168 C ATOM 527 O GLU A 226 7.742 5.858 -23.819 1.00 30.10 O ANISOU 527 O GLU A 226 5056 3347 3035 709 245 207 O ATOM 528 CB GLU A 226 8.172 3.096 -25.483 1.00 28.54 C ANISOU 528 CB GLU A 226 5182 2965 2697 879 329 190 C ATOM 529 CG GLU A 226 8.327 2.252 -26.744 1.00 31.35 C ANISOU 529 CG GLU A 226 5718 3228 2964 960 374 169 C ATOM 530 CD GLU A 226 6.993 1.812 -27.324 1.00 49.37 C ANISOU 530 CD GLU A 226 8136 5429 5195 920 275 96 C ATOM 531 OE1 GLU A 226 6.155 1.287 -26.560 1.00 44.91 O ANISOU 531 OE1 GLU A 226 7548 4849 4668 862 191 70 O ATOM 532 OE2 GLU A 226 6.779 2.002 -28.540 1.00 57.82 O ANISOU 532 OE2 GLU A 226 9330 6453 6184 946 279 67 O ATOM 533 H GLU A 226 9.001 5.086 -26.628 1.00 30.32 H ATOM 534 HA GLU A 226 6.580 4.179 -26.183 1.00 31.64 H ATOM 535 HB2 GLU A 226 9.060 3.313 -25.159 1.00 34.25 H ATOM 536 HB3 GLU A 226 7.702 2.562 -24.823 1.00 34.25 H ATOM 537 HG2 GLU A 226 8.791 2.773 -27.419 1.00 37.62 H ATOM 538 HG3 GLU A 226 8.839 1.455 -26.531 1.00 37.62 H ATOM 539 N LEU A 227 5.850 4.631 -23.874 1.00 26.35 N ANISOU 539 N LEU A 227 4722 2767 2523 655 99 127 N ATOM 540 CA LEU A 227 5.319 5.145 -22.622 1.00 23.29 C ANISOU 540 CA LEU A 227 4191 2446 2210 570 31 124 C ATOM 541 C LEU A 227 5.802 4.320 -21.437 1.00 22.27 C ANISOU 541 C LEU A 227 3970 2359 2134 578 50 156 C ATOM 542 O LEU A 227 6.105 3.129 -21.557 1.00 26.14 O ANISOU 542 O LEU A 227 4529 2800 2602 634 82 167 O ATOM 543 CB LEU A 227 3.790 5.132 -22.637 1.00 21.57 C ANISOU 543 CB LEU A 227 4023 2187 1985 496 -89 68 C ATOM 544 CG LEU A 227 3.087 5.943 -23.721 1.00 21.63 C ANISOU 544 CG LEU A 227 4116 2158 1944 476 -127 36 C ATOM 545 CD1 LEU A 227 1.608 5.601 -23.759 1.00 38.92 C ANISOU 545 CD1 LEU A 227 6371 4297 4121 414 -244 -15 C ATOM 546 CD2 LEU A 227 3.281 7.433 -23.488 1.00 28.01 C ANISOU 546 CD2 LEU A 227 4808 3037 2796 438 -114 52 C ATOM 547 H LEU A 227 5.339 4.052 -24.252 1.00 31.62 H ATOM 548 HA LEU A 227 5.616 6.060 -22.498 1.00 27.94 H ATOM 549 HB2 LEU A 227 3.499 4.213 -22.737 1.00 25.88 H ATOM 550 HB3 LEU A 227 3.480 5.472 -21.783 1.00 25.88 H ATOM 551 HG LEU A 227 3.471 5.720 -24.584 1.00 25.95 H ATOM 552 HD11 LEU A 227 1.181 6.126 -24.454 1.00 46.71 H ATOM 553 HD12 LEU A 227 1.508 4.655 -23.950 1.00 46.71 H ATOM 554 HD13 LEU A 227 1.215 5.809 -22.897 1.00 46.71 H ATOM 555 HD21 LEU A 227 2.825 7.924 -24.190 1.00 33.61 H ATOM 556 HD22 LEU A 227 2.908 7.668 -22.624 1.00 33.61 H ATOM 557 HD23 LEU A 227 4.230 7.634 -23.506 1.00 33.61 H ATOM 558 N ILE A 228 5.862 4.974 -20.283 1.00 22.09 N ANISOU 558 N ILE A 228 3788 2426 2178 521 30 172 N ATOM 559 CA ILE A 228 5.979 4.315 -18.990 1.00 21.23 C ANISOU 559 CA ILE A 228 3576 2369 2121 503 17 196 C ATOM 560 C ILE A 228 4.624 4.438 -18.311 1.00 19.74 C ANISOU 560 C ILE A 228 3354 2184 1961 414 -98 154 C ATOM 561 O ILE A 228 3.952 5.468 -18.442 1.00 19.85 O ANISOU 561 O ILE A 228 3349 2210 1982 356 -148 122 O ATOM 562 CB ILE A 228 7.092 4.939 -18.126 1.00 34.07 C ANISOU 562 CB ILE A 228 5038 4105 3799 505 81 245 C ATOM 563 CG1 ILE A 228 8.449 4.787 -18.815 1.00 44.22 C ANISOU 563 CG1 ILE A 228 6354 5387 5059 597 198 293 C ATOM 564 CG2 ILE A 228 7.125 4.295 -16.745 1.00 39.95 C ANISOU 564 CG2 ILE A 228 5671 4914 4595 481 59 270 C ATOM 565 CD1 ILE A 228 9.556 5.581 -18.158 1.00 51.73 C ANISOU 565 CD1 ILE A 228 7152 6446 6059 595 261 339 C ATOM 566 H ILE A 228 5.837 5.832 -20.224 1.00 26.50 H ATOM 567 HA ILE A 228 6.177 3.374 -19.120 1.00 25.47 H ATOM 568 HB ILE A 228 6.905 5.885 -18.020 1.00 40.88 H ATOM 569 HG12 ILE A 228 8.705 3.851 -18.799 1.00 53.06 H ATOM 570 HG13 ILE A 228 8.370 5.090 -19.733 1.00 53.06 H ATOM 571 HG21 ILE A 228 7.833 4.705 -16.224 1.00 47.94 H ATOM 572 HG22 ILE A 228 6.269 4.436 -16.311 1.00 47.94 H ATOM 573 HG23 ILE A 228 7.295 3.346 -16.844 1.00 47.94 H ATOM 574 HD11 ILE A 228 10.381 5.436 -18.647 1.00 62.08 H ATOM 575 HD12 ILE A 228 9.322 6.522 -18.176 1.00 62.08 H ATOM 576 HD13 ILE A 228 9.657 5.282 -17.241 1.00 62.08 H ATOM 577 N SER A 229 4.218 3.391 -17.596 1.00 19.72 N ANISOU 577 N SER A 229 3345 2169 1977 405 -136 158 N ATOM 578 CA SER A 229 2.892 3.342 -16.996 1.00 20.76 C ANISOU 578 CA SER A 229 3458 2297 2134 326 -245 121 C ATOM 579 C SER A 229 2.988 2.991 -15.520 1.00 18.85 C ANISOU 579 C SER A 229 3075 2136 1950 297 -260 153 C ATOM 580 O SER A 229 3.744 2.096 -15.129 1.00 21.51 O ANISOU 580 O SER A 229 3391 2484 2296 349 -206 197 O ATOM 581 CB SER A 229 2.001 2.327 -17.711 1.00 19.87 C ANISOU 581 CB SER A 229 3499 2071 1979 335 -297 88 C ATOM 582 OG SER A 229 2.004 2.551 -19.109 1.00 21.96 O ANISOU 582 OG SER A 229 3900 2264 2180 370 -277 61 O ATOM 583 H SER A 229 4.696 2.693 -17.445 1.00 23.66 H ATOM 584 HA SER A 229 2.477 4.215 -17.072 1.00 24.92 H ATOM 585 HB2 SER A 229 2.334 1.434 -17.533 1.00 23.84 H ATOM 586 HB3 SER A 229 1.094 2.414 -17.379 1.00 23.84 H ATOM 587 HG SER A 229 1.717 3.322 -19.277 1.00 26.35 H ATOM 588 N CYS A 230 2.201 3.695 -14.709 1.00 17.39 N ANISOU 588 N CYS A 230 2309 1895 2403 83 -108 -43 N ATOM 589 CA CYS A 230 2.157 3.438 -13.277 1.00 17.98 C ANISOU 589 CA CYS A 230 2341 1983 2508 61 -129 -14 C ATOM 590 C CYS A 230 1.528 2.080 -13.000 1.00 18.10 C ANISOU 590 C CYS A 230 2366 1982 2530 27 -119 -34 C ATOM 591 O CYS A 230 0.458 1.756 -13.525 1.00 19.30 O ANISOU 591 O CYS A 230 2542 2147 2643 7 -131 -83 O ATOM 592 CB CYS A 230 1.364 4.533 -12.571 1.00 16.88 C ANISOU 592 CB CYS A 230 2170 1905 2336 51 -188 -26 C ATOM 593 SG CYS A 230 1.132 4.266 -10.801 1.00 17.55 S ANISOU 593 SG CYS A 230 2207 2015 2447 23 -218 3 S ATOM 594 H CYS A 230 1.682 4.330 -14.968 1.00 20.87 H ATOM 595 HA CYS A 230 3.059 3.435 -12.922 1.00 21.58 H ATOM 596 HB2 CYS A 230 1.831 5.375 -12.682 1.00 20.25 H ATOM 597 HB3 CYS A 230 0.485 4.590 -12.977 1.00 20.25 H ATOM 598 N ALA A 231 2.185 1.295 -12.147 1.00 18.00 N ANISOU 598 N ALA A 231 2333 1940 2567 19 -101 7 N ATOM 599 CA ALA A 231 1.709 -0.047 -11.847 1.00 18.14 C ANISOU 599 CA ALA A 231 2359 1937 2598 -14 -92 -4 C ATOM 600 C ALA A 231 0.424 -0.043 -11.032 1.00 18.93 C ANISOU 600 C ALA A 231 2434 2088 2669 -52 -138 -27 C ATOM 601 O ALA A 231 -0.289 -1.051 -11.023 1.00 20.45 O ANISOU 601 O ALA A 231 2638 2273 2858 -83 -138 -49 O ATOM 602 CB ALA A 231 2.791 -0.825 -11.099 1.00 17.85 C ANISOU 602 CB ALA A 231 2303 1854 2624 -12 -63 49 C ATOM 603 H ALA A 231 2.906 1.517 -11.733 1.00 21.60 H ATOM 604 HA ALA A 231 1.531 -0.510 -12.680 1.00 21.77 H ATOM 605 HB1 ALA A 231 2.462 -1.716 -10.905 1.00 21.42 H ATOM 606 HB2 ALA A 231 3.583 -0.879 -11.656 1.00 21.42 H ATOM 607 HB3 ALA A 231 2.999 -0.361 -10.272 1.00 21.42 H ATOM 608 N ASP A 232 0.107 1.056 -10.350 1.00 19.53 N ANISOU 608 N ASP A 232 2476 2217 2727 -50 -178 -22 N ATOM 609 CA ASP A 232 -1.058 1.084 -9.474 1.00 16.76 C ANISOU 609 CA ASP A 232 2097 1919 2351 -83 -218 -38 C ATOM 610 C ASP A 232 -2.280 1.728 -10.113 1.00 20.87 C ANISOU 610 C ASP A 232 2628 2487 2814 -88 -249 -91 C ATOM 611 O ASP A 232 -3.386 1.194 -9.982 1.00 26.32 O ANISOU 611 O ASP A 232 3315 3201 3484 -120 -265 -118 O ATOM 612 CB ASP A 232 -0.717 1.809 -8.169 1.00 19.82 C ANISOU 612 CB ASP A 232 2441 2337 2753 -79 -245 2 C ATOM 613 CG ASP A 232 0.230 1.011 -7.297 1.00 23.49 C ANISOU 613 CG ASP A 232 2889 2762 3275 -87 -224 54 C ATOM 614 OD1 ASP A 232 -0.159 -0.085 -6.843 1.00 23.49 O ANISOU 614 OD1 ASP A 232 2885 2753 3288 -119 -217 54 O ATOM 615 OD2 ASP A 232 1.362 1.476 -7.061 1.00 37.70 O ANISOU 615 OD2 ASP A 232 4679 4539 5106 -62 -215 96 O ATOM 616 H ASP A 232 0.548 1.793 -10.378 1.00 23.43 H ATOM 617 HA ASP A 232 -1.294 0.171 -9.247 1.00 20.11 H ATOM 618 HB2 ASP A 232 -0.292 2.656 -8.378 1.00 23.79 H ATOM 619 HB3 ASP A 232 -1.533 1.961 -7.668 1.00 23.79 H ATOM 620 N CYS A 233 -2.117 2.857 -10.806 1.00 22.90 N ANISOU 620 N CYS A 233 2897 2759 3046 -58 -258 -104 N ATOM 621 CA CYS A 233 -3.246 3.537 -11.426 1.00 20.64 C ANISOU 621 CA CYS A 233 2620 2516 2707 -61 -289 -153 C ATOM 622 C CYS A 233 -3.308 3.369 -12.936 1.00 21.24 C ANISOU 622 C CYS A 233 2747 2563 2762 -51 -269 -188 C ATOM 623 O CYS A 233 -4.369 3.607 -13.522 1.00 22.72 O ANISOU 623 O CYS A 233 2947 2777 2907 -62 -293 -232 O ATOM 624 CB CYS A 233 -3.210 5.037 -11.097 1.00 19.83 C ANISOU 624 CB CYS A 233 2493 2457 2583 -36 -325 -148 C ATOM 625 SG CYS A 233 -1.943 5.984 -11.961 1.00 20.54 S ANISOU 625 SG CYS A 233 2605 2517 2683 9 -309 -127 S ATOM 626 H CYS A 233 -1.361 3.247 -10.930 1.00 27.48 H ATOM 627 HA CYS A 233 -4.066 3.175 -11.057 1.00 24.77 H ATOM 628 HB2 CYS A 233 -4.070 5.423 -11.326 1.00 23.79 H ATOM 629 HB3 CYS A 233 -3.052 5.139 -10.145 1.00 23.79 H ATOM 630 N GLY A 234 -2.211 2.976 -13.579 1.00 18.77 N ANISOU 630 N GLY A 234 2463 2194 2476 -29 -225 -169 N ATOM 631 CA GLY A 234 -2.200 2.746 -15.005 1.00 25.35 C ANISOU 631 CA GLY A 234 3349 2995 3287 -17 -201 -201 C ATOM 632 C GLY A 234 -1.955 3.973 -15.857 1.00 21.03 C ANISOU 632 C GLY A 234 2817 2462 2712 14 -208 -211 C ATOM 633 O GLY A 234 -1.782 3.834 -17.074 1.00 20.16 O ANISOU 633 O GLY A 234 2754 2323 2585 29 -183 -233 O ATOM 634 H GLY A 234 -1.453 2.835 -13.198 1.00 22.53 H ATOM 635 HA2 GLY A 234 -1.510 2.098 -15.213 1.00 30.42 H ATOM 636 HA3 GLY A 234 -3.054 2.368 -15.268 1.00 30.42 H ATOM 637 N ASN A 235 -1.945 5.168 -15.271 1.00 20.51 N ANISOU 637 N ASN A 235 2715 2439 2639 26 -242 -197 N ATOM 638 CA ASN A 235 -1.652 6.365 -16.048 1.00 20.57 C ANISOU 638 CA ASN A 235 2734 2457 2622 55 -252 -202 C ATOM 639 C ASN A 235 -0.234 6.296 -16.600 1.00 16.96 C ANISOU 639 C ASN A 235 2295 1952 2197 87 -204 -165 C ATOM 640 O ASN A 235 0.656 5.681 -16.010 1.00 18.02 O ANISOU 640 O ASN A 235 2414 2054 2378 91 -175 -122 O ATOM 641 CB ASN A 235 -1.822 7.618 -15.192 1.00 25.66 C ANISOU 641 CB ASN A 235 3338 3153 3259 62 -301 -189 C ATOM 642 CG ASN A 235 -3.256 7.841 -14.770 1.00 30.11 C ANISOU 642 CG ASN A 235 3884 3770 3785 37 -347 -229 C ATOM 643 OD1 ASN A 235 -4.188 7.428 -15.460 1.00 40.83 O ANISOU 643 OD1 ASN A 235 5267 5134 5114 19 -351 -273 O ATOM 644 ND2 ASN A 235 -3.442 8.498 -13.636 1.00 48.46 N ANISOU 644 ND2 ASN A 235 6167 6135 6111 37 -383 -213 N ATOM 645 H ASN A 235 -2.103 5.310 -14.437 1.00 24.61 H ATOM 646 HA ASN A 235 -2.268 6.420 -16.795 1.00 24.68 H ATOM 647 HB2 ASN A 235 -1.282 7.530 -14.391 1.00 30.79 H ATOM 648 HB3 ASN A 235 -1.535 8.392 -15.703 1.00 30.79 H ATOM 649 HD21 ASN A 235 -4.240 8.650 -13.353 1.00 58.16 H ATOM 650 HD22 ASN A 235 -2.765 8.774 -13.182 1.00 58.16 H ATOM 651 N SER A 236 -0.024 6.947 -17.741 1.00 17.59 N ANISOU 651 N SER A 236 2406 2027 2251 110 -197 -178 N ATOM 652 CA SER A 236 1.207 6.791 -18.497 1.00 18.79 C ANISOU 652 CA SER A 236 2581 2134 2426 142 -145 -148 C ATOM 653 C SER A 236 1.783 8.148 -18.873 1.00 22.16 C ANISOU 653 C SER A 236 2999 2577 2844 170 -160 -127 C ATOM 654 O SER A 236 1.090 9.167 -18.881 1.00 18.65 O ANISOU 654 O SER A 236 2546 2176 2365 166 -209 -150 O ATOM 655 CB SER A 236 0.976 5.968 -19.768 1.00 23.05 C ANISOU 655 CB SER A 236 3181 2639 2940 144 -107 -187 C ATOM 656 OG SER A 236 0.386 4.718 -19.461 1.00 21.43 O ANISOU 656 OG SER A 236 2986 2416 2741 115 -100 -208 O ATOM 657 H SER A 236 -0.587 7.490 -18.100 1.00 21.11 H ATOM 658 HA SER A 236 1.859 6.326 -17.950 1.00 22.55 H ATOM 659 HB2 SER A 236 0.384 6.459 -20.359 1.00 27.66 H ATOM 660 HB3 SER A 236 1.828 5.816 -20.205 1.00 27.66 H ATOM 661 HG SER A 236 0.265 4.277 -20.166 1.00 25.72 H ATOM 662 N GLY A 237 3.073 8.139 -19.187 1.00 19.01 N ANISOU 662 N GLY A 237 2602 2143 2479 199 -116 -80 N ATOM 663 CA GLY A 237 3.745 9.332 -19.662 1.00 17.66 C ANISOU 663 CA GLY A 237 2425 1982 2304 227 -124 -53 C ATOM 664 C GLY A 237 4.963 8.975 -20.480 1.00 17.92 C ANISOU 664 C GLY A 237 2478 1970 2362 258 -59 -17 C ATOM 665 O GLY A 237 5.603 7.943 -20.253 1.00 19.17 O ANISOU 665 O GLY A 237 2636 2089 2560 263 -12 7 O ATOM 666 H GLY A 237 3.581 7.448 -19.133 1.00 22.81 H ATOM 667 HA2 GLY A 237 3.140 9.852 -20.213 1.00 21.19 H ATOM 668 HA3 GLY A 237 4.024 9.874 -18.907 1.00 21.19 H ATOM 669 N HIS A 238 5.273 9.827 -21.450 1.00 19.31 N ANISOU 669 N HIS A 238 2671 2151 2513 281 -56 -14 N ATOM 670 CA HIS A 238 6.552 9.720 -22.131 1.00 20.28 C ANISOU 670 CA HIS A 238 2803 2240 2664 315 3 32 C ATOM 671 C HIS A 238 7.675 10.016 -21.140 1.00 22.08 C ANISOU 671 C HIS A 238 2975 2458 2954 325 3 107 C ATOM 672 O HIS A 238 7.555 10.940 -20.328 1.00 20.04 O ANISOU 672 O HIS A 238 2681 2231 2703 315 -55 125 O ATOM 673 CB HIS A 238 6.643 10.704 -23.295 1.00 20.11 C ANISOU 673 CB HIS A 238 2806 2233 2603 335 1 25 C ATOM 674 CG HIS A 238 5.605 10.501 -24.353 1.00 22.19 C ANISOU 674 CG HIS A 238 3125 2502 2802 327 -1 -45 C ATOM 675 ND1 HIS A 238 4.551 11.370 -24.536 1.00 18.17 N ANISOU 675 ND1 HIS A 238 2623 2034 2245 309 -61 -89 N ATOM 676 CD2 HIS A 238 5.468 9.540 -25.296 1.00 24.65 C ANISOU 676 CD2 HIS A 238 3493 2783 3091 334 49 -79 C ATOM 677 CE1 HIS A 238 3.805 10.949 -25.541 1.00 25.63 C ANISOU 677 CE1 HIS A 238 3624 2973 3142 304 -50 -145 C ATOM 678 NE2 HIS A 238 4.340 9.841 -26.020 1.00 24.24 N ANISOU 678 NE2 HIS A 238 3479 2752 2978 318 16 -140 N ATOM 679 H HIS A 238 4.768 10.465 -21.728 1.00 23.17 H ATOM 680 HA HIS A 238 6.667 8.819 -22.473 1.00 24.34 H ATOM 681 HB2 HIS A 238 6.540 11.604 -22.949 1.00 24.13 H ATOM 682 HB3 HIS A 238 7.513 10.611 -23.713 1.00 24.13 H ATOM 683 HD2 HIS A 238 6.031 8.811 -25.427 1.00 29.58 H ATOM 684 HE1 HIS A 238 3.035 11.362 -25.858 1.00 30.76 H ATOM 685 HE2 HIS A 238 4.031 9.380 -26.678 1.00 29.08 H ATOM 686 N PRO A 239 8.774 9.257 -21.170 1.00 21.26 N ANISOU 686 N PRO A 239 2866 2311 2898 346 63 153 N ATOM 687 CA PRO A 239 9.931 9.640 -20.343 1.00 23.94 C ANISOU 687 CA PRO A 239 3154 2641 3301 357 61 231 C ATOM 688 C PRO A 239 10.348 11.086 -20.550 1.00 22.92 C ANISOU 688 C PRO A 239 3004 2537 3167 370 25 266 C ATOM 689 O PRO A 239 10.757 11.757 -19.595 1.00 23.31 O ANISOU 689 O PRO A 239 3009 2596 3250 365 -18 311 O ATOM 690 CB PRO A 239 11.020 8.658 -20.793 1.00 30.03 C ANISOU 690 CB PRO A 239 3933 3362 4113 385 142 268 C ATOM 691 CG PRO A 239 10.276 7.473 -21.282 1.00 26.61 C ANISOU 691 CG PRO A 239 3549 2910 3649 376 174 207 C ATOM 692 CD PRO A 239 9.007 7.993 -21.890 1.00 24.17 C ANISOU 692 CD PRO A 239 3276 2638 3269 360 133 137 C ATOM 693 HA PRO A 239 9.736 9.494 -19.404 1.00 28.73 H ATOM 694 HB2 PRO A 239 11.545 9.053 -21.506 1.00 36.03 H ATOM 695 HB3 PRO A 239 11.583 8.424 -20.039 1.00 36.03 H ATOM 696 HG2 PRO A 239 10.807 7.010 -21.948 1.00 31.93 H ATOM 697 HG3 PRO A 239 10.078 6.885 -20.536 1.00 31.93 H ATOM 698 HD2 PRO A 239 9.131 8.162 -22.838 1.00 29.00 H ATOM 699 HD3 PRO A 239 8.277 7.374 -21.732 1.00 29.00 H ATOM 700 N SER A 240 10.238 11.588 -21.783 1.00 21.97 N ANISOU 700 N SER A 240 2917 2427 3004 387 38 245 N ATOM 701 CA SER A 240 10.584 12.977 -22.059 1.00 22.96 C ANISOU 701 CA SER A 240 3025 2576 3121 398 1 276 C ATOM 702 C SER A 240 9.621 13.943 -21.381 1.00 21.82 C ANISOU 702 C SER A 240 2866 2475 2948 373 -86 245 C ATOM 703 O SER A 240 10.029 15.034 -20.967 1.00 28.53 O ANISOU 703 O SER A 240 3685 3342 3815 376 -133 287 O ATOM 704 CB SER A 240 10.606 13.217 -23.569 1.00 25.60 C ANISOU 704 CB SER A 240 3403 2912 3412 420 36 256 C ATOM 705 OG SER A 240 9.329 13.008 -24.145 1.00 27.35 O ANISOU 705 OG SER A 240 3671 3150 3569 403 22 174 O ATOM 706 H SER A 240 9.967 11.147 -22.469 1.00 26.37 H ATOM 707 HA SER A 240 11.474 13.154 -21.716 1.00 27.55 H ATOM 708 HB2 SER A 240 10.880 14.133 -23.737 1.00 30.72 H ATOM 709 HB3 SER A 240 11.238 12.604 -23.975 1.00 30.72 H ATOM 710 HG SER A 240 9.078 12.218 -24.008 1.00 32.81 H ATOM 711 N CYS A 241 8.345 13.571 -21.261 1.00 19.31 N ANISOU 711 N CYS A 241 2572 2177 2589 349 -109 175 N ATOM 712 CA CYS A 241 7.397 14.407 -20.536 1.00 21.63 C ANISOU 712 CA CYS A 241 2849 2512 2856 328 -188 146 C ATOM 713 C CYS A 241 7.570 14.274 -19.029 1.00 19.92 C ANISOU 713 C CYS A 241 2590 2297 2683 314 -217 178 C ATOM 714 O CYS A 241 7.287 15.223 -18.290 1.00 22.72 O ANISOU 714 O CYS A 241 2921 2680 3032 307 -282 183 O ATOM 715 CB CYS A 241 5.964 14.051 -20.937 1.00 21.71 C ANISOU 715 CB CYS A 241 2896 2545 2809 307 -202 64 C ATOM 716 SG CYS A 241 5.528 14.532 -22.629 1.00 23.14 S ANISOU 716 SG CYS A 241 3129 2735 2928 319 -192 20 S ATOM 717 H CYS A 241 8.011 12.848 -21.586 1.00 23.17 H ATOM 718 HA CYS A 241 7.551 15.335 -20.773 1.00 25.95 H ATOM 719 HB2 CYS A 241 5.849 13.091 -20.864 1.00 26.06 H ATOM 720 HB3 CYS A 241 5.351 14.501 -20.335 1.00 26.06 H ATOM 721 N LEU A 242 8.030 13.114 -18.559 1.00 20.81 N ANISOU 721 N LEU A 242 2695 2376 2837 311 -171 198 N ATOM 722 CA LEU A 242 8.348 12.922 -17.150 1.00 18.94 C ANISOU 722 CA LEU A 242 2418 2134 2645 298 -194 236 C ATOM 723 C LEU A 242 9.693 13.520 -16.767 1.00 21.78 C ANISOU 723 C LEU A 242 2742 2474 3059 316 -198 318 C ATOM 724 O LEU A 242 10.018 13.557 -15.576 1.00 22.90 O ANISOU 724 O LEU A 242 2852 2612 3239 306 -227 355 O ATOM 725 CB LEU A 242 8.347 11.431 -16.811 1.00 18.82 C ANISOU 725 CB LEU A 242 2408 2088 2655 286 -145 229 C ATOM 726 CG LEU A 242 6.988 10.742 -16.880 1.00 19.29 C ANISOU 726 CG LEU A 242 2494 2166 2669 261 -150 156 C ATOM 727 CD1 LEU A 242 7.162 9.248 -17.092 1.00 22.15 C ANISOU 727 CD1 LEU A 242 2876 2487 3052 258 -88 149 C ATOM 728 CD2 LEU A 242 6.194 11.007 -15.615 1.00 26.66 C ANISOU 728 CD2 LEU A 242 3400 3134 3595 236 -210 142 C ATOM 729 H LEU A 242 8.167 12.417 -19.044 1.00 24.97 H ATOM 730 HA LEU A 242 7.665 13.352 -16.612 1.00 22.73 H ATOM 731 HB2 LEU A 242 8.936 10.974 -17.433 1.00 22.58 H ATOM 732 HB3 LEU A 242 8.683 11.321 -15.908 1.00 22.58 H ATOM 733 HG LEU A 242 6.487 11.098 -17.631 1.00 23.15 H ATOM 734 HD11 LEU A 242 6.287 8.831 -17.132 1.00 26.58 H ATOM 735 HD12 LEU A 242 7.638 9.101 -17.924 1.00 26.58 H ATOM 736 HD13 LEU A 242 7.669 8.882 -16.351 1.00 26.58 H ATOM 737 HD21 LEU A 242 5.335 10.560 -15.681 1.00 31.99 H ATOM 738 HD22 LEU A 242 6.688 10.663 -14.854 1.00 31.99 H ATOM 739 HD23 LEU A 242 6.063 11.963 -15.519 1.00 31.99 H ATOM 740 N LYS A 243 10.474 13.981 -17.744 1.00 24.42 N ANISOU 740 N LYS A 243 3083 2796 3399 341 -171 350 N ATOM 741 CA LYS A 243 11.789 14.566 -17.508 1.00 24.08 C ANISOU 741 CA LYS A 243 3005 2733 3410 358 -173 433 C ATOM 742 C LYS A 243 12.774 13.540 -16.954 1.00 23.17 C ANISOU 742 C LYS A 243 2867 2575 3362 362 -124 487 C ATOM 743 O LYS A 243 13.651 13.879 -16.155 1.00 28.76 O ANISOU 743 O LYS A 243 3536 3268 4122 364 -145 554 O ATOM 744 CB LYS A 243 11.702 15.779 -16.573 1.00 22.94 C ANISOU 744 CB LYS A 243 2833 2615 3269 348 -259 455 C ATOM 745 CG LYS A 243 10.623 16.796 -16.937 1.00 28.21 C ANISOU 745 CG LYS A 243 3521 3326 3871 343 -317 398 C ATOM 746 CD LYS A 243 10.698 17.220 -18.396 1.00 28.43 C ANISOU 746 CD LYS A 243 3576 3359 3867 360 -291 386 C ATOM 747 CE LYS A 243 9.638 18.260 -18.733 1.00 37.89 C ANISOU 747 CE LYS A 243 4793 4599 5004 354 -354 332 C ATOM 748 NZ LYS A 243 9.717 19.463 -17.861 1.00 29.70 N ANISOU 748 NZ LYS A 243 3730 3581 3975 351 -435 360 N ATOM 749 H LYS A 243 10.254 13.964 -18.576 1.00 29.30 H ATOM 750 HA LYS A 243 12.142 14.878 -18.356 1.00 28.89 H ATOM 751 HB2 LYS A 243 11.516 15.463 -15.675 1.00 27.53 H ATOM 752 HB3 LYS A 243 12.555 16.240 -16.586 1.00 27.53 H ATOM 753 HG2 LYS A 243 9.750 16.401 -16.782 1.00 33.85 H ATOM 754 HG3 LYS A 243 10.734 17.587 -16.387 1.00 33.85 H ATOM 755 HD2 LYS A 243 11.570 17.608 -18.571 1.00 34.12 H ATOM 756 HD3 LYS A 243 10.555 16.446 -18.962 1.00 34.12 H ATOM 757 HE2 LYS A 243 9.757 18.547 -19.652 1.00 45.47 H ATOM 758 HE3 LYS A 243 8.760 17.864 -18.620 1.00 45.47 H ATOM 759 HZ1 LYS A 243 9.083 20.045 -18.088 1.00 35.64 H ATOM 760 HZ2 LYS A 243 9.603 19.229 -17.010 1.00 35.64 H ATOM 761 HZ3 LYS A 243 10.512 19.852 -17.951 1.00 35.64 H ATOM 762 N PHE A 244 12.637 12.284 -17.372 1.00 23.41 N ANISOU 762 N PHE A 244 2921 2583 3391 364 -60 458 N ATOM 763 CA PHE A 244 13.544 11.221 -16.961 1.00 23.97 C ANISOU 763 CA PHE A 244 2974 2610 3524 371 -7 504 C ATOM 764 C PHE A 244 14.730 11.130 -17.912 1.00 28.65 C ANISOU 764 C PHE A 244 3565 3173 4147 406 58 556 C ATOM 765 O PHE A 244 14.573 11.212 -19.134 1.00 27.76 O ANISOU 765 O PHE A 244 3487 3065 3994 424 92 528 O ATOM 766 CB PHE A 244 12.825 9.870 -16.929 1.00 24.23 C ANISOU 766 CB PHE A 244 3035 2629 3541 356 28 449 C ATOM 767 CG PHE A 244 11.866 9.698 -15.780 1.00 22.47 C ANISOU 767 CG PHE A 244 2803 2428 3306 321 -25 415 C ATOM 768 CD1 PHE A 244 11.699 10.682 -14.818 1.00 21.56 C ANISOU 768 CD1 PHE A 244 2658 2340 3192 307 -96 432 C ATOM 769 CD2 PHE A 244 11.133 8.530 -15.665 1.00 24.40 C ANISOU 769 CD2 PHE A 244 3070 2664 3537 303 -3 367 C ATOM 770 CE1 PHE A 244 10.816 10.499 -13.769 1.00 22.63 C ANISOU 770 CE1 PHE A 244 2786 2498 3313 278 -139 402 C ATOM 771 CE2 PHE A 244 10.252 8.344 -14.620 1.00 24.00 C ANISOU 771 CE2 PHE A 244 3009 2635 3474 270 -47 339 C ATOM 772 CZ PHE A 244 10.092 9.329 -13.673 1.00 22.11 C ANISOU 772 CZ PHE A 244 2739 2427 3234 259 -114 356 C ATOM 773 H PHE A 244 12.015 12.020 -17.904 1.00 28.09 H ATOM 774 HA PHE A 244 13.880 11.411 -16.071 1.00 28.76 H ATOM 775 HB2 PHE A 244 12.320 9.768 -17.751 1.00 29.07 H ATOM 776 HB3 PHE A 244 13.490 9.167 -16.865 1.00 29.07 H ATOM 777 HD1 PHE A 244 12.185 11.472 -14.879 1.00 25.87 H ATOM 778 HD2 PHE A 244 11.236 7.861 -16.302 1.00 29.28 H ATOM 779 HE1 PHE A 244 10.710 11.166 -13.129 1.00 27.15 H ATOM 780 HE2 PHE A 244 9.765 7.554 -14.558 1.00 28.80 H ATOM 781 HZ PHE A 244 9.498 9.205 -12.968 1.00 26.53 H ATOM 782 N SER A 245 15.917 10.937 -17.343 1.00 32.77 N ANISOU 782 N SER A 245 4047 3663 4740 416 76 634 N ATOM 783 CA SER A 245 17.096 10.689 -18.148 1.00 31.82 C ANISOU 783 CA SER A 245 3920 3513 4658 451 145 688 C ATOM 784 C SER A 245 16.991 9.318 -18.811 1.00 27.01 C ANISOU 784 C SER A 245 3348 2875 4040 465 224 650 C ATOM 785 O SER A 245 16.215 8.465 -18.374 1.00 28.60 O ANISOU 785 O SER A 245 3568 3071 4226 444 221 599 O ATOM 786 CB SER A 245 18.354 10.751 -17.288 1.00 30.24 C ANISOU 786 CB SER A 245 3665 3285 4541 455 142 782 C ATOM 787 OG SER A 245 18.416 9.646 -16.404 1.00 33.20 O ANISOU 787 OG SER A 245 4029 3630 4954 441 157 785 O ATOM 788 H SER A 245 16.060 10.947 -16.496 1.00 39.32 H ATOM 789 HA SER A 245 17.163 11.362 -18.843 1.00 38.19 H ATOM 790 HB2 SER A 245 19.132 10.738 -17.866 1.00 36.29 H ATOM 791 HB3 SER A 245 18.340 11.570 -16.769 1.00 36.29 H ATOM 792 HG SER A 245 17.747 9.645 -15.897 1.00 39.83 H ATOM 793 N PRO A 246 17.761 9.080 -19.876 1.00 34.56 N ANISOU 793 N PRO A 246 3689 4465 4979 651 363 205 N ATOM 794 CA PRO A 246 17.734 7.743 -20.491 1.00 36.26 C ANISOU 794 CA PRO A 246 3994 4685 5098 805 385 197 C ATOM 795 C PRO A 246 18.111 6.635 -19.524 1.00 31.67 C ANISOU 795 C PRO A 246 3419 4132 4482 869 345 166 C ATOM 796 O PRO A 246 17.505 5.557 -19.560 1.00 29.55 O ANISOU 796 O PRO A 246 3275 3800 4153 947 312 124 O ATOM 797 CB PRO A 246 18.743 7.869 -21.640 1.00 40.15 C ANISOU 797 CB PRO A 246 4416 5289 5550 882 468 280 C ATOM 798 CG PRO A 246 18.766 9.318 -21.963 1.00 34.65 C ANISOU 798 CG PRO A 246 3644 4595 4927 751 485 328 C ATOM 799 CD PRO A 246 18.571 10.030 -20.659 1.00 40.43 C ANISOU 799 CD PRO A 246 4328 5286 5749 614 414 291 C ATOM 800 HA PRO A 246 16.855 7.561 -20.857 1.00 43.51 H ATOM 801 HB2 PRO A 246 19.616 7.568 -21.345 1.00 48.18 H ATOM 802 HB3 PRO A 246 18.439 7.352 -22.402 1.00 48.18 H ATOM 803 HG2 PRO A 246 19.623 9.550 -22.353 1.00 41.58 H ATOM 804 HG3 PRO A 246 18.044 9.526 -22.576 1.00 41.58 H ATOM 805 HD2 PRO A 246 19.425 10.184 -20.226 1.00 48.52 H ATOM 806 HD3 PRO A 246 18.085 10.858 -20.794 1.00 48.52 H ATOM 807 N GLU A 247 19.092 6.874 -18.651 1.00 37.48 N ANISOU 807 N GLU A 247 4029 4955 5255 831 335 190 N ATOM 808 CA GLU A 247 19.510 5.847 -17.700 1.00 35.60 C ANISOU 808 CA GLU A 247 3795 4745 4986 889 291 163 C ATOM 809 C GLU A 247 18.394 5.532 -16.714 1.00 29.50 C ANISOU 809 C GLU A 247 3122 3865 4222 824 216 88 C ATOM 810 O GLU A 247 18.083 4.362 -16.463 1.00 29.29 O ANISOU 810 O GLU A 247 3192 3801 4136 898 175 56 O ATOM 811 CB GLU A 247 20.769 6.296 -16.954 1.00 40.10 C ANISOU 811 CB GLU A 247 4203 5428 5605 845 288 209 C ATOM 812 CG GLU A 247 22.011 6.430 -17.824 1.00 48.10 C ANISOU 812 CG GLU A 247 5093 6581 6602 920 364 298 C ATOM 813 CD GLU A 247 21.994 7.669 -18.700 1.00 51.21 C ANISOU 813 CD GLU A 247 5429 6991 7038 836 415 356 C ATOM 814 OE1 GLU A 247 21.194 8.588 -18.421 1.00 48.55 O ANISOU 814 OE1 GLU A 247 5125 6560 6763 704 378 327 O ATOM 815 OE2 GLU A 247 22.780 7.720 -19.670 1.00 60.07 O ANISOU 815 OE2 GLU A 247 6475 8223 8127 907 490 433 O ATOM 816 H GLU A 247 19.526 7.614 -18.590 1.00 44.97 H ATOM 817 HA GLU A 247 19.722 5.034 -18.185 1.00 42.72 H ATOM 818 HB2 GLU A 247 20.598 7.161 -16.550 1.00 48.12 H ATOM 819 HB3 GLU A 247 20.965 5.646 -16.260 1.00 48.12 H ATOM 820 HG2 GLU A 247 22.792 6.480 -17.251 1.00 57.72 H ATOM 821 HG3 GLU A 247 22.075 5.655 -18.403 1.00 57.72 H ATOM 822 N LEU A 248 17.785 6.570 -16.136 1.00 32.02 N ANISOU 822 N LEU A 248 3421 4137 4610 689 193 62 N ATOM 823 CA LEU A 248 16.664 6.361 -15.225 1.00 26.17 C ANISOU 823 CA LEU A 248 2762 3311 3871 629 134 -4 C ATOM 824 C LEU A 248 15.513 5.655 -15.928 1.00 28.74 C ANISOU 824 C LEU A 248 3225 3548 4147 678 127 -28 C ATOM 825 O LEU A 248 14.854 4.788 -15.341 1.00 27.62 O ANISOU 825 O LEU A 248 3165 3361 3968 685 76 -60 O ATOM 826 CB LEU A 248 16.205 7.703 -14.653 1.00 25.82 C ANISOU 826 CB LEU A 248 2674 3235 3901 496 118 -31 C ATOM 827 CG LEU A 248 15.000 7.676 -13.707 1.00 26.14 C ANISOU 827 CG LEU A 248 2782 3207 3942 434 71 -99 C ATOM 828 CD1 LEU A 248 15.300 6.844 -12.477 1.00 29.58 C ANISOU 828 CD1 LEU A 248 3220 3676 4343 439 23 -119 C ATOM 829 CD2 LEU A 248 14.600 9.090 -13.314 1.00 31.32 C ANISOU 829 CD2 LEU A 248 3402 3834 4666 329 59 -129 C ATOM 830 H LEU A 248 18.000 7.394 -16.254 1.00 38.43 H ATOM 831 HA LEU A 248 16.955 5.802 -14.487 1.00 31.40 H ATOM 832 HB2 LEU A 248 16.945 8.091 -14.161 1.00 30.98 H ATOM 833 HB3 LEU A 248 15.973 8.284 -15.394 1.00 30.98 H ATOM 834 HG LEU A 248 14.249 7.269 -14.167 1.00 31.37 H ATOM 835 HD11 LEU A 248 14.522 6.845 -11.898 1.00 35.49 H ATOM 836 HD12 LEU A 248 15.508 5.938 -12.752 1.00 35.49 H ATOM 837 HD13 LEU A 248 16.059 7.231 -12.012 1.00 35.49 H ATOM 838 HD21 LEU A 248 13.837 9.047 -12.716 1.00 37.59 H ATOM 839 HD22 LEU A 248 15.347 9.516 -12.866 1.00 37.59 H ATOM 840 HD23 LEU A 248 14.366 9.586 -14.114 1.00 37.59 H ATOM 841 N THR A 249 15.260 6.009 -17.189 1.00 25.51 N ANISOU 841 N THR A 249 2844 3112 3735 707 172 -4 N ATOM 842 CA THR A 249 14.183 5.379 -17.945 1.00 24.38 C ANISOU 842 CA THR A 249 2836 2878 3548 751 157 -20 C ATOM 843 C THR A 249 14.412 3.878 -18.077 1.00 23.70 C ANISOU 843 C THR A 249 2840 2787 3376 872 125 -18 C ATOM 844 O THR A 249 13.491 3.077 -17.877 1.00 28.04 O ANISOU 844 O THR A 249 3501 3259 3893 873 64 -42 O ATOM 845 CB THR A 249 14.066 6.039 -19.320 1.00 28.89 C ANISOU 845 CB THR A 249 3420 3431 4127 768 210 11 C ATOM 846 OG1 THR A 249 13.668 7.407 -19.159 1.00 28.50 O ANISOU 846 OG1 THR A 249 3311 3361 4159 651 218 3 O ATOM 847 CG2 THR A 249 13.046 5.327 -20.191 1.00 29.28 C ANISOU 847 CG2 THR A 249 3617 3384 4125 824 187 0 C ATOM 848 H THR A 249 15.697 6.608 -17.626 1.00 30.61 H ATOM 849 HA THR A 249 13.346 5.515 -17.474 1.00 29.25 H ATOM 850 HB THR A 249 14.926 6.006 -19.767 1.00 34.67 H ATOM 851 HG1 THR A 249 14.238 7.820 -18.701 1.00 34.21 H ATOM 852 HG21 THR A 249 12.989 5.762 -21.057 1.00 35.14 H ATOM 853 HG22 THR A 249 13.309 4.402 -20.320 1.00 35.14 H ATOM 854 HG23 THR A 249 12.174 5.351 -19.768 1.00 35.14 H ATOM 855 N VAL A 250 15.638 3.475 -18.418 1.00 27.64 N ANISOU 855 N VAL A 250 3294 3370 3836 977 158 15 N ATOM 856 CA VAL A 250 15.952 2.052 -18.508 1.00 36.74 C ANISOU 856 CA VAL A 250 4538 4517 4904 1109 118 10 C ATOM 857 C VAL A 250 15.646 1.358 -17.188 1.00 25.74 C ANISOU 857 C VAL A 250 3177 3095 3508 1063 35 -22 C ATOM 858 O VAL A 250 15.097 0.249 -17.163 1.00 28.04 O ANISOU 858 O VAL A 250 3601 3312 3742 1110 -37 -37 O ATOM 859 CB VAL A 250 17.423 1.853 -18.923 1.00 29.90 C ANISOU 859 CB VAL A 250 3586 3772 4004 1232 174 50 C ATOM 860 CG1 VAL A 250 17.838 0.388 -18.798 1.00 34.14 C ANISOU 860 CG1 VAL A 250 4212 4305 4455 1377 119 35 C ATOM 861 CG2 VAL A 250 17.642 2.337 -20.349 1.00 38.30 C ANISOU 861 CG2 VAL A 250 4642 4866 5043 1295 256 88 C ATOM 862 H VAL A 250 16.295 3.999 -18.600 1.00 33.16 H ATOM 863 HA VAL A 250 15.393 1.650 -19.192 1.00 44.08 H ATOM 864 HB VAL A 250 17.991 2.378 -18.338 1.00 35.88 H ATOM 865 HG11 VAL A 250 18.766 0.299 -19.066 1.00 40.97 H ATOM 866 HG12 VAL A 250 17.731 0.108 -17.875 1.00 40.97 H ATOM 867 HG13 VAL A 250 17.273 -0.150 -19.375 1.00 40.97 H ATOM 868 HG21 VAL A 250 18.572 2.203 -20.588 1.00 45.96 H ATOM 869 HG22 VAL A 250 17.070 1.829 -20.945 1.00 45.96 H ATOM 870 HG23 VAL A 250 17.419 3.280 -20.400 1.00 45.96 H ATOM 871 N ARG A 251 15.985 2.001 -16.068 1.00 26.31 N ANISOU 871 N ARG A 251 3137 3220 3639 964 34 -29 N ATOM 872 CA ARG A 251 15.854 1.338 -14.775 1.00 25.77 C ANISOU 872 CA ARG A 251 3092 3141 3559 925 -41 -53 C ATOM 873 C ARG A 251 14.395 1.219 -14.347 1.00 25.87 C ANISOU 873 C ARG A 251 3193 3063 3572 832 -91 -81 C ATOM 874 O ARG A 251 13.973 0.161 -13.866 1.00 28.05 O ANISOU 874 O ARG A 251 3562 3295 3799 842 -166 -87 O ATOM 875 CB ARG A 251 16.665 2.085 -13.718 1.00 28.77 C ANISOU 875 CB ARG A 251 3332 3603 3995 851 -31 -52 C ATOM 876 CG ARG A 251 18.175 2.033 -13.942 1.00 42.06 C ANISOU 876 CG ARG A 251 4912 5391 5676 938 4 -13 C ATOM 877 CD ARG A 251 18.914 1.734 -12.643 1.00 38.82 C ANISOU 877 CD ARG A 251 4442 5032 5274 915 -49 -18 C ATOM 878 NE ARG A 251 20.369 1.808 -12.782 1.00 48.93 N ANISOU 878 NE ARG A 251 5599 6427 6567 986 -17 27 N ATOM 879 CZ ARG A 251 21.169 0.775 -13.043 1.00 54.25 C ANISOU 879 CZ ARG A 251 6283 7145 7184 1131 -28 43 C ATOM 880 NH1 ARG A 251 20.674 -0.445 -13.204 1.00 61.27 N ANISOU 880 NH1 ARG A 251 7321 7962 7998 1221 -81 15 N ATOM 881 NH2 ARG A 251 22.479 0.962 -13.145 1.00 60.19 N ANISOU 881 NH2 ARG A 251 6898 8018 7954 1188 7 90 N ATOM 882 H ARG A 251 16.289 2.805 -16.032 1.00 31.57 H ATOM 883 HA ARG A 251 16.215 0.441 -14.847 1.00 30.92 H ATOM 884 HB2 ARG A 251 16.398 3.017 -13.720 1.00 34.52 H ATOM 885 HB3 ARG A 251 16.482 1.692 -12.850 1.00 34.52 H ATOM 886 HG2 ARG A 251 18.381 1.332 -14.579 1.00 50.47 H ATOM 887 HG3 ARG A 251 18.479 2.892 -14.276 1.00 50.47 H ATOM 888 HD2 ARG A 251 18.644 2.380 -11.971 1.00 46.58 H ATOM 889 HD3 ARG A 251 18.687 0.837 -12.350 1.00 46.58 H ATOM 890 HE ARG A 251 20.737 2.580 -12.689 1.00 58.72 H ATOM 891 HH11 ARG A 251 19.827 -0.578 -13.139 1.00 73.53 H ATOM 892 HH12 ARG A 251 21.201 -1.104 -13.372 1.00 73.53 H ATOM 893 HH21 ARG A 251 22.810 1.749 -13.043 1.00 72.23 H ATOM 894 HH22 ARG A 251 22.996 0.296 -13.314 1.00 72.23 H ATOM 895 N VAL A 252 13.605 2.285 -14.507 1.00 28.22 N ANISOU 895 N VAL A 252 3461 3336 3925 741 -56 -94 N ATOM 896 CA VAL A 252 12.216 2.220 -14.059 1.00 24.56 C ANISOU 896 CA VAL A 252 3060 2808 3464 656 -97 -116 C ATOM 897 C VAL A 252 11.414 1.255 -14.924 1.00 23.49 C ANISOU 897 C VAL A 252 3064 2587 3276 709 -141 -100 C ATOM 898 O VAL A 252 10.455 0.635 -14.447 1.00 26.01 O ANISOU 898 O VAL A 252 3452 2858 3571 659 -204 -99 O ATOM 899 CB VAL A 252 11.576 3.622 -14.038 1.00 25.06 C ANISOU 899 CB VAL A 252 3057 2867 3598 562 -54 -138 C ATOM 900 CG1 VAL A 252 12.334 4.535 -13.095 1.00 25.87 C ANISOU 900 CG1 VAL A 252 3044 3040 3747 504 -34 -156 C ATOM 901 CG2 VAL A 252 11.508 4.222 -15.435 1.00 22.66 C ANISOU 901 CG2 VAL A 252 2763 2532 3317 597 -4 -120 C ATOM 902 H VAL A 252 13.840 3.032 -14.861 1.00 33.87 H ATOM 903 HA VAL A 252 12.201 1.879 -13.151 1.00 29.47 H ATOM 904 HB VAL A 252 10.668 3.544 -13.706 1.00 30.07 H ATOM 905 HG11 VAL A 252 11.914 5.410 -13.098 1.00 31.05 H ATOM 906 HG12 VAL A 252 12.307 4.158 -12.202 1.00 31.05 H ATOM 907 HG13 VAL A 252 13.253 4.608 -13.397 1.00 31.05 H ATOM 908 HG21 VAL A 252 11.101 5.101 -15.381 1.00 27.20 H ATOM 909 HG22 VAL A 252 12.408 4.294 -15.791 1.00 27.20 H ATOM 910 HG23 VAL A 252 10.974 3.643 -16.001 1.00 27.20 H ATOM 911 N LYS A 253 11.788 1.098 -16.197 1.00 26.48 N ANISOU 911 N LYS A 253 3487 2945 3631 808 -113 -81 N ATOM 912 CA LYS A 253 11.084 0.161 -17.065 1.00 27.28 C ANISOU 912 CA LYS A 253 3738 2953 3676 867 -168 -67 C ATOM 913 C LYS A 253 11.244 -1.283 -16.608 1.00 28.88 C ANISOU 913 C LYS A 253 4042 3125 3806 924 -262 -60 C ATOM 914 O LYS A 253 10.441 -2.136 -17.002 1.00 30.59 O ANISOU 914 O LYS A 253 4396 3248 3979 936 -341 -47 O ATOM 915 CB LYS A 253 11.574 0.301 -18.507 1.00 29.80 C ANISOU 915 CB LYS A 253 4088 3264 3969 977 -116 -52 C ATOM 916 CG LYS A 253 11.066 1.543 -19.222 1.00 35.07 C ANISOU 916 CG LYS A 253 4709 3919 4696 918 -52 -50 C ATOM 917 CD LYS A 253 11.531 1.570 -20.668 1.00 31.30 C ANISOU 917 CD LYS A 253 4278 3437 4178 1028 -5 -28 C ATOM 918 CE LYS A 253 10.920 2.731 -21.440 1.00 34.57 C ANISOU 918 CE LYS A 253 4667 3821 4646 964 43 -21 C ATOM 919 NZ LYS A 253 11.408 2.783 -22.850 1.00 42.35 N ANISOU 919 NZ LYS A 253 5697 4811 5583 1069 94 6 N ATOM 920 H LYS A 253 12.437 1.518 -16.574 1.00 31.78 H ATOM 921 HA LYS A 253 10.137 0.373 -17.051 1.00 32.74 H ATOM 922 HB2 LYS A 253 12.543 0.338 -18.504 1.00 35.76 H ATOM 923 HB3 LYS A 253 11.278 -0.472 -19.013 1.00 35.76 H ATOM 924 HG2 LYS A 253 10.096 1.546 -19.213 1.00 42.08 H ATOM 925 HG3 LYS A 253 11.409 2.334 -18.777 1.00 42.08 H ATOM 926 HD2 LYS A 253 12.496 1.665 -20.691 1.00 37.56 H ATOM 927 HD3 LYS A 253 11.266 0.744 -21.103 1.00 37.56 H ATOM 928 HE2 LYS A 253 9.955 2.630 -21.458 1.00 41.48 H ATOM 929 HE3 LYS A 253 11.160 3.564 -21.006 1.00 41.48 H ATOM 930 HZ1 LYS A 253 11.035 3.470 -23.275 1.00 50.82 H ATOM 931 HZ2 LYS A 253 12.292 2.882 -22.861 1.00 50.82 H ATOM 932 HZ3 LYS A 253 11.194 2.030 -23.273 1.00 50.82 H ATOM 933 N ALA A 254 12.256 -1.575 -15.795 1.00 30.05 N ANISOU 933 N ALA A 254 4132 3343 3943 954 -266 -66 N ATOM 934 CA ALA A 254 12.477 -2.912 -15.265 1.00 35.08 C ANISOU 934 CA ALA A 254 4864 3950 4514 1005 -365 -61 C ATOM 935 C ALA A 254 11.965 -3.075 -13.841 1.00 27.84 C ANISOU 935 C ALA A 254 3925 3043 3610 879 -420 -62 C ATOM 936 O ALA A 254 12.184 -4.128 -13.235 1.00 30.50 O ANISOU 936 O ALA A 254 4332 3361 3897 902 -507 -53 O ATOM 937 CB ALA A 254 13.968 -3.249 -15.312 1.00 33.96 C ANISOU 937 CB ALA A 254 4679 3882 4344 1137 -343 -63 C ATOM 938 H ALA A 254 12.839 -1.001 -15.531 1.00 36.06 H ATOM 939 HA ALA A 254 12.009 -3.552 -15.824 1.00 42.09 H ATOM 940 HB1 ALA A 254 14.101 -4.142 -14.956 1.00 40.76 H ATOM 941 HB2 ALA A 254 14.270 -3.211 -16.233 1.00 40.76 H ATOM 942 HB3 ALA A 254 14.454 -2.603 -14.776 1.00 40.76 H ATOM 943 N LEU A 255 11.293 -2.066 -13.298 1.00 24.31 N ANISOU 943 N LEU A 255 3389 2625 3222 753 -374 -73 N ATOM 944 CA LEU A 255 10.812 -2.080 -11.927 1.00 22.92 C ANISOU 944 CA LEU A 255 3180 2479 3051 638 -408 -76 C ATOM 945 C LEU A 255 9.307 -1.856 -11.907 1.00 21.50 C ANISOU 945 C LEU A 255 3026 2259 2885 535 -421 -65 C ATOM 946 O LEU A 255 8.708 -1.418 -12.893 1.00 23.88 O ANISOU 946 O LEU A 255 3346 2516 3212 542 -391 -62 O ATOM 947 CB LEU A 255 11.508 -0.998 -11.092 1.00 21.77 C ANISOU 947 CB LEU A 255 2888 2427 2957 592 -341 -105 C ATOM 948 CG LEU A 255 13.012 -1.160 -10.875 1.00 29.91 C ANISOU 948 CG LEU A 255 3865 3517 3984 672 -334 -107 C ATOM 949 CD1 LEU A 255 13.590 0.097 -10.251 1.00 30.10 C ANISOU 949 CD1 LEU A 255 3747 3618 4070 612 -271 -130 C ATOM 950 CD2 LEU A 255 13.290 -2.366 -10.000 1.00 35.92 C ANISOU 950 CD2 LEU A 255 4691 4272 4686 686 -427 -96 C ATOM 951 H LEU A 255 11.099 -1.341 -13.719 1.00 29.17 H ATOM 952 HA LEU A 255 10.999 -2.944 -11.528 1.00 27.51 H ATOM 953 HB2 LEU A 255 11.372 -0.143 -11.530 1.00 26.13 H ATOM 954 HB3 LEU A 255 11.092 -0.978 -10.215 1.00 26.13 H ATOM 955 HG LEU A 255 13.446 -1.300 -11.731 1.00 35.90 H ATOM 956 HD11 LEU A 255 14.543 -0.025 -10.121 1.00 36.12 H ATOM 957 HD12 LEU A 255 13.429 0.846 -10.845 1.00 36.12 H ATOM 958 HD13 LEU A 255 13.157 0.253 -9.397 1.00 36.12 H ATOM 959 HD21 LEU A 255 14.248 -2.451 -9.874 1.00 43.11 H ATOM 960 HD22 LEU A 255 12.853 -2.241 -9.142 1.00 43.11 H ATOM 961 HD23 LEU A 255 12.941 -3.159 -10.436 1.00 43.11 H ATOM 962 N ARG A 256 8.694 -2.164 -10.764 1.00 25.97 N ANISOU 962 N ARG A 256 3588 2848 3431 439 -466 -53 N ATOM 963 CA ARG A 256 7.277 -1.873 -10.558 1.00 19.98 C ANISOU 963 CA ARG A 256 2821 2083 2686 335 -468 -38 C ATOM 964 C ARG A 256 7.161 -0.389 -10.219 1.00 22.52 C ANISOU 964 C ARG A 256 3014 2472 3070 291 -370 -86 C ATOM 965 O ARG A 256 7.066 0.021 -9.059 1.00 25.00 O ANISOU 965 O ARG A 256 3259 2857 3383 226 -352 -106 O ATOM 966 CB ARG A 256 6.683 -2.752 -9.466 1.00 24.08 C ANISOU 966 CB ARG A 256 3378 2620 3152 250 -547 1 C ATOM 967 CG ARG A 256 5.166 -2.713 -9.451 1.00 21.19 C ANISOU 967 CG ARG A 256 3014 2248 2790 153 -563 39 C ATOM 968 CD ARG A 256 4.568 -3.460 -8.277 1.00 27.44 C ANISOU 968 CD ARG A 256 3818 3083 3526 52 -629 89 C ATOM 969 NE ARG A 256 3.110 -3.439 -8.336 1.00 24.76 N ANISOU 969 NE ARG A 256 3466 2752 3190 -39 -641 139 N ATOM 970 CZ ARG A 256 2.361 -2.400 -7.978 1.00 23.10 C ANISOU 970 CZ ARG A 256 3142 2621 3013 -88 -558 115 C ATOM 971 NH1 ARG A 256 2.928 -1.289 -7.526 1.00 23.95 N ANISOU 971 NH1 ARG A 256 3156 2793 3151 -58 -464 38 N ATOM 972 NH2 ARG A 256 1.041 -2.470 -8.072 1.00 25.34 N ANISOU 972 NH2 ARG A 256 3409 2919 3299 -164 -574 169 N ATOM 973 H ARG A 256 9.077 -2.543 -10.093 1.00 31.16 H ATOM 974 HA ARG A 256 6.791 -2.037 -11.381 1.00 23.97 H ATOM 975 HB2 ARG A 256 6.959 -3.670 -9.613 1.00 28.90 H ATOM 976 HB3 ARG A 256 7.000 -2.443 -8.603 1.00 28.90 H ATOM 977 HG2 ARG A 256 4.875 -1.790 -9.399 1.00 25.43 H ATOM 978 HG3 ARG A 256 4.833 -3.120 -10.266 1.00 25.43 H ATOM 979 HD2 ARG A 256 4.862 -4.384 -8.299 1.00 32.93 H ATOM 980 HD3 ARG A 256 4.847 -3.037 -7.450 1.00 32.93 H ATOM 981 HE ARG A 256 2.709 -4.144 -8.621 1.00 29.71 H ATOM 982 HH11 ARG A 256 3.785 -1.238 -7.465 1.00 28.74 H ATOM 983 HH12 ARG A 256 2.440 -0.620 -7.295 1.00 28.74 H ATOM 984 HH21 ARG A 256 0.668 -3.188 -8.363 1.00 30.40 H ATOM 985 HH22 ARG A 256 0.557 -1.798 -7.838 1.00 30.40 H ATOM 986 N TRP A 257 7.176 0.429 -11.267 1.00 20.28 N ANISOU 986 N TRP A 257 2708 2160 2836 330 -312 -104 N ATOM 987 CA TRP A 257 7.266 1.872 -11.109 1.00 20.81 C ANISOU 987 CA TRP A 257 2668 2272 2965 304 -232 -150 C ATOM 988 C TRP A 257 5.906 2.468 -10.771 1.00 17.96 C ANISOU 988 C TRP A 257 2275 1924 2627 226 -217 -161 C ATOM 989 O TRP A 257 4.871 2.014 -11.264 1.00 19.05 O ANISOU 989 O TRP A 257 2466 2018 2755 205 -250 -126 O ATOM 990 CB TRP A 257 7.814 2.503 -12.388 1.00 18.26 C ANISOU 990 CB TRP A 257 2338 1915 2684 371 -183 -156 C ATOM 991 CG TRP A 257 7.906 3.998 -12.348 1.00 19.00 C ANISOU 991 CG TRP A 257 2337 2037 2846 339 -118 -195 C ATOM 992 CD1 TRP A 257 8.900 4.744 -11.784 1.00 20.50 C ANISOU 992 CD1 TRP A 257 2445 2281 3064 332 -89 -221 C ATOM 993 CD2 TRP A 257 6.974 4.929 -12.909 1.00 18.59 C ANISOU 993 CD2 TRP A 257 2272 1951 2843 309 -90 -212 C ATOM 994 NE1 TRP A 257 8.643 6.083 -11.956 1.00 18.67 N ANISOU 994 NE1 TRP A 257 2157 2044 2893 297 -51 -252 N ATOM 995 CE2 TRP A 257 7.466 6.224 -12.643 1.00 17.60 C ANISOU 995 CE2 TRP A 257 2063 1855 2771 287 -48 -250 C ATOM 996 CE3 TRP A 257 5.770 4.796 -13.609 1.00 20.57 C ANISOU 996 CE3 TRP A 257 2575 2144 3099 297 -105 -195 C ATOM 997 CZ2 TRP A 257 6.797 7.375 -13.051 1.00 17.86 C ANISOU 997 CZ2 TRP A 257 2070 1857 2859 261 -23 -278 C ATOM 998 CZ3 TRP A 257 5.108 5.943 -14.013 1.00 21.60 C ANISOU 998 CZ3 TRP A 257 2669 2253 3287 273 -72 -222 C ATOM 999 CH2 TRP A 257 5.624 7.214 -13.733 1.00 20.52 C ANISOU 999 CH2 TRP A 257 2455 2142 3200 258 -32 -265 C ATOM 1000 H TRP A 257 7.135 0.169 -12.085 1.00 24.33 H ATOM 1001 HA TRP A 257 7.876 2.077 -10.383 1.00 24.97 H ATOM 1002 HB2 TRP A 257 8.706 2.157 -12.547 1.00 21.91 H ATOM 1003 HB3 TRP A 257 7.234 2.262 -13.127 1.00 21.91 H ATOM 1004 HD1 TRP A 257 9.643 4.397 -11.347 1.00 24.60 H ATOM 1005 HE1 TRP A 257 9.139 6.728 -11.676 1.00 22.41 H ATOM 1006 HE3 TRP A 257 5.423 3.955 -13.799 1.00 24.69 H ATOM 1007 HZ2 TRP A 257 7.135 8.221 -12.866 1.00 21.43 H ATOM 1008 HZ3 TRP A 257 4.306 5.867 -14.479 1.00 25.92 H ATOM 1009 HH2 TRP A 257 5.156 7.967 -14.016 1.00 24.63 H ATOM 1010 N GLN A 258 5.921 3.492 -9.920 1.00 17.55 N ANISOU 1010 N GLN A 258 2134 1932 2600 187 -174 -209 N ATOM 1011 CA GLN A 258 4.725 4.206 -9.500 1.00 20.13 C ANISOU 1011 CA GLN A 258 2416 2289 2944 133 -149 -233 C ATOM 1012 C GLN A 258 4.833 5.668 -9.909 1.00 18.56 C ANISOU 1012 C GLN A 258 2161 2077 2813 148 -95 -286 C ATOM 1013 O GLN A 258 5.923 6.250 -9.878 1.00 20.78 O ANISOU 1013 O GLN A 258 2411 2363 3121 169 -77 -312 O ATOM 1014 CB GLN A 258 4.534 4.117 -7.983 1.00 19.30 C ANISOU 1014 CB GLN A 258 2271 2271 2791 81 -154 -250 C ATOM 1015 CG GLN A 258 4.323 2.713 -7.450 1.00 20.99 C ANISOU 1015 CG GLN A 258 2540 2502 2933 47 -217 -190 C ATOM 1016 CD GLN A 258 4.363 2.658 -5.936 1.00 18.57 C ANISOU 1016 CD GLN A 258 2196 2287 2572 0 -219 -205 C ATOM 1017 OE1 GLN A 258 5.347 3.062 -5.316 1.00 23.24 O ANISOU 1017 OE1 GLN A 258 2760 2905 3164 15 -208 -247 O ATOM 1018 NE2 GLN A 258 3.292 2.165 -5.332 1.00 22.26 N ANISOU 1018 NE2 GLN A 258 2661 2809 2990 -63 -235 -166 N ATOM 1019 H GLN A 258 6.640 3.799 -9.562 1.00 21.06 H ATOM 1020 HA GLN A 258 3.947 3.821 -9.932 1.00 24.16 H ATOM 1021 HB2 GLN A 258 5.323 4.479 -7.550 1.00 23.16 H ATOM 1022 HB3 GLN A 258 3.757 4.644 -7.737 1.00 23.16 H ATOM 1023 HG2 GLN A 258 3.455 2.391 -7.740 1.00 25.19 H ATOM 1024 HG3 GLN A 258 5.023 2.135 -7.792 1.00 25.19 H ATOM 1025 HE21 GLN A 258 2.621 1.896 -5.798 1.00 26.72 H ATOM 1026 HE22 GLN A 258 3.267 2.113 -4.474 1.00 26.72 H ATOM 1027 N CYS A 259 3.703 6.262 -10.284 1.00 18.42 N ANISOU 1027 N CYS A 259 2129 2043 2827 133 -78 -298 N ATOM 1028 CA CYS A 259 3.686 7.679 -10.607 1.00 18.63 C ANISOU 1028 CA CYS A 259 2112 2049 2917 144 -41 -352 C ATOM 1029 C CYS A 259 3.887 8.511 -9.341 1.00 19.09 C ANISOU 1029 C CYS A 259 2111 2172 2969 125 -26 -416 C ATOM 1030 O CYS A 259 3.919 7.998 -8.218 1.00 20.19 O ANISOU 1030 O CYS A 259 2241 2379 3053 103 -37 -418 O ATOM 1031 CB CYS A 259 2.375 8.064 -11.296 1.00 18.27 C ANISOU 1031 CB CYS A 259 2068 1968 2904 140 -36 -350 C ATOM 1032 SG CYS A 259 0.921 8.060 -10.224 1.00 19.41 S ANISOU 1032 SG CYS A 259 2161 2198 3015 102 -30 -363 S ATOM 1033 H CYS A 259 2.942 5.869 -10.357 1.00 22.10 H ATOM 1034 HA CYS A 259 4.415 7.875 -11.216 1.00 22.35 H ATOM 1035 HB2 CYS A 259 2.468 8.958 -11.660 1.00 21.92 H ATOM 1036 HB3 CYS A 259 2.209 7.435 -12.016 1.00 21.92 H ATOM 1037 N ILE A 260 4.026 9.823 -9.543 1.00 22.16 N ANISOU 1037 N ILE A 260 2472 2532 3414 135 -11 -468 N ATOM 1038 CA ILE A 260 4.312 10.740 -8.439 1.00 18.63 C ANISOU 1038 CA ILE A 260 1989 2125 2964 127 -11 -536 C ATOM 1039 C ILE A 260 3.279 10.586 -7.329 1.00 20.36 C ANISOU 1039 C ILE A 260 2188 2424 3125 118 -1 -565 C ATOM 1040 O ILE A 260 3.622 10.505 -6.142 1.00 21.73 O ANISOU 1040 O ILE A 260 2350 2661 3248 106 -8 -592 O ATOM 1041 CB ILE A 260 4.376 12.187 -8.962 1.00 20.53 C ANISOU 1041 CB ILE A 260 2220 2305 3276 138 -12 -583 C ATOM 1042 CG1 ILE A 260 5.680 12.402 -9.735 1.00 22.89 C ANISOU 1042 CG1 ILE A 260 2522 2556 3619 132 -22 -548 C ATOM 1043 CG2 ILE A 260 4.265 13.201 -7.829 1.00 22.33 C ANISOU 1043 CG2 ILE A 260 2429 2562 3494 140 -25 -666 C ATOM 1044 CD1 ILE A 260 5.677 13.623 -10.636 1.00 33.97 C ANISOU 1044 CD1 ILE A 260 3927 3883 5095 132 -29 -563 C ATOM 1045 H ILE A 260 3.959 10.207 -10.309 1.00 26.59 H ATOM 1046 HA ILE A 260 5.180 10.520 -8.067 1.00 22.35 H ATOM 1047 HB ILE A 260 3.633 12.326 -9.571 1.00 24.64 H ATOM 1048 HG12 ILE A 260 6.405 12.506 -9.099 1.00 27.47 H ATOM 1049 HG13 ILE A 260 5.843 11.625 -10.292 1.00 27.47 H ATOM 1050 HG21 ILE A 260 4.309 14.095 -8.200 1.00 26.80 H ATOM 1051 HG22 ILE A 260 3.418 13.073 -7.373 1.00 26.80 H ATOM 1052 HG23 ILE A 260 4.998 13.062 -7.209 1.00 26.80 H ATOM 1053 HD11 ILE A 260 6.534 13.686 -11.086 1.00 40.76 H ATOM 1054 HD12 ILE A 260 4.966 13.531 -11.290 1.00 40.76 H ATOM 1055 HD13 ILE A 260 5.529 14.414 -10.095 1.00 40.76 H ATOM 1056 N GLU A 261 1.996 10.553 -7.692 1.00 20.83 N ANISOU 1056 N GLU A 261 2238 2489 3187 125 15 -557 N ATOM 1057 CA GLU A 261 0.954 10.536 -6.672 1.00 22.75 C ANISOU 1057 CA GLU A 261 2444 2828 3374 122 34 -581 C ATOM 1058 C GLU A 261 0.787 9.162 -6.038 1.00 22.08 C ANISOU 1058 C GLU A 261 2362 2815 3213 80 26 -515 C ATOM 1059 O GLU A 261 0.452 9.072 -4.852 1.00 28.87 O ANISOU 1059 O GLU A 261 3192 3772 4004 69 40 -533 O ATOM 1060 CB GLU A 261 -0.375 11.010 -7.264 1.00 24.55 C ANISOU 1060 CB GLU A 261 2644 3048 3635 145 52 -588 C ATOM 1061 CG GLU A 261 -0.373 12.468 -7.705 1.00 32.02 C ANISOU 1061 CG GLU A 261 3590 3928 4648 190 52 -664 C ATOM 1062 CD GLU A 261 0.119 13.415 -6.623 1.00 45.86 C ANISOU 1062 CD GLU A 261 5337 5709 6378 215 48 -753 C ATOM 1063 OE1 GLU A 261 -0.165 13.160 -5.433 1.00 44.60 O ANISOU 1063 OE1 GLU A 261 5154 5651 6142 219 66 -774 O ATOM 1064 OE2 GLU A 261 0.800 14.404 -6.963 1.00 35.57 O ANISOU 1064 OE2 GLU A 261 4059 4325 5130 228 21 -797 O ATOM 1065 H GLU A 261 1.710 10.541 -8.503 1.00 24.99 H ATOM 1066 HA GLU A 261 1.200 11.156 -5.967 1.00 27.30 H ATOM 1067 HB2 GLU A 261 -0.581 10.466 -8.040 1.00 29.46 H ATOM 1068 HB3 GLU A 261 -1.070 10.904 -6.595 1.00 29.46 H ATOM 1069 HG2 GLU A 261 0.210 12.564 -8.474 1.00 38.42 H ATOM 1070 HG3 GLU A 261 -1.278 12.727 -7.941 1.00 38.42 H ATOM 1071 N CYS A 262 1.022 8.089 -6.793 1.00 20.88 N ANISOU 1071 N CYS A 262 2254 2616 3065 58 -3 -437 N ATOM 1072 CA CYS A 262 0.878 6.745 -6.249 1.00 19.26 C ANISOU 1072 CA CYS A 262 2068 2461 2789 13 -31 -368 C ATOM 1073 C CYS A 262 2.081 6.302 -5.426 1.00 20.19 C ANISOU 1073 C CYS A 262 2208 2600 2863 4 -53 -373 C ATOM 1074 O CYS A 262 1.966 5.326 -4.677 1.00 21.47 O ANISOU 1074 O CYS A 262 2384 2818 2957 -37 -79 -327 O ATOM 1075 CB CYS A 262 0.653 5.733 -7.376 1.00 21.50 C ANISOU 1075 CB CYS A 262 2411 2671 3087 0 -73 -286 C ATOM 1076 SG CYS A 262 -0.957 5.848 -8.189 1.00 22.61 S ANISOU 1076 SG CYS A 262 2529 2800 3262 -15 -71 -248 S ATOM 1077 H CYS A 262 1.263 8.115 -7.617 1.00 25.06 H ATOM 1078 HA CYS A 262 0.100 6.724 -5.671 1.00 23.11 H ATOM 1079 HB2 CYS A 262 1.334 5.868 -8.053 1.00 25.80 H ATOM 1080 HB3 CYS A 262 0.733 4.839 -7.008 1.00 25.80 H ATOM 1081 N LYS A 263 3.213 6.994 -5.540 1.00 21.25 N ANISOU 1081 N LYS A 263 2344 2693 3038 36 -50 -421 N ATOM 1082 CA LYS A 263 4.458 6.529 -4.938 1.00 20.38 C ANISOU 1082 CA LYS A 263 2252 2592 2899 31 -79 -417 C ATOM 1083 C LYS A 263 4.292 6.279 -3.444 1.00 21.22 C ANISOU 1083 C LYS A 263 2345 2793 2926 -3 -85 -431 C ATOM 1084 O LYS A 263 3.829 7.151 -2.701 1.00 20.22 O ANISOU 1084 O LYS A 263 2182 2720 2781 0 -56 -491 O ATOM 1085 CB LYS A 263 5.565 7.555 -5.170 1.00 21.09 C ANISOU 1085 CB LYS A 263 2323 2641 3049 59 -74 -465 C ATOM 1086 CG LYS A 263 6.966 7.017 -4.923 1.00 21.93 C ANISOU 1086 CG LYS A 263 2440 2745 3147 63 -107 -443 C ATOM 1087 CD LYS A 263 7.548 6.386 -6.172 1.00 22.71 C ANISOU 1087 CD LYS A 263 2568 2785 3277 100 -114 -388 C ATOM 1088 CE LYS A 263 7.955 7.435 -7.197 1.00 19.88 C ANISOU 1088 CE LYS A 263 2182 2375 2995 125 -87 -403 C ATOM 1089 NZ LYS A 263 8.360 6.813 -8.487 1.00 21.35 N ANISOU 1089 NZ LYS A 263 2401 2514 3198 170 -83 -349 N ATOM 1090 H LYS A 263 3.286 7.739 -5.962 1.00 25.50 H ATOM 1091 HA LYS A 263 4.723 5.695 -5.357 1.00 24.45 H ATOM 1092 HB2 LYS A 263 5.522 7.857 -6.091 1.00 25.31 H ATOM 1093 HB3 LYS A 263 5.425 8.305 -4.571 1.00 25.31 H ATOM 1094 HG2 LYS A 263 7.546 7.746 -4.652 1.00 26.32 H ATOM 1095 HG3 LYS A 263 6.932 6.341 -4.228 1.00 26.32 H ATOM 1096 HD2 LYS A 263 8.337 5.874 -5.933 1.00 27.25 H ATOM 1097 HD3 LYS A 263 6.883 5.808 -6.577 1.00 27.25 H ATOM 1098 HE2 LYS A 263 7.203 8.024 -7.367 1.00 23.85 H ATOM 1099 HE3 LYS A 263 8.708 7.942 -6.855 1.00 23.85 H ATOM 1100 HZ1 LYS A 263 8.593 7.445 -9.069 1.00 25.62 H ATOM 1101 HZ2 LYS A 263 9.053 6.270 -8.357 1.00 25.62 H ATOM 1102 HZ3 LYS A 263 7.683 6.344 -8.824 1.00 25.62 H ATOM 1103 N THR A 264 4.680 5.084 -3.010 1.00 22.06 N ANISOU 1103 N THR A 264 2486 2917 2977 -31 -127 -377 N ATOM 1104 CA THR A 264 4.719 4.723 -1.603 1.00 21.61 C ANISOU 1104 CA THR A 264 2428 2946 2838 -69 -142 -380 C ATOM 1105 C THR A 264 6.166 4.519 -1.171 1.00 21.07 C ANISOU 1105 C THR A 264 2380 2859 2768 -59 -184 -390 C ATOM 1106 O THR A 264 7.013 4.105 -1.967 1.00 24.09 O ANISOU 1106 O THR A 264 2785 3175 3192 -30 -210 -362 O ATOM 1107 CB THR A 264 3.913 3.447 -1.339 1.00 24.57 C ANISOU 1107 CB THR A 264 2830 3361 3143 -123 -173 -297 C ATOM 1108 OG1 THR A 264 4.317 2.425 -2.257 1.00 27.36 O ANISOU 1108 OG1 THR A 264 3246 3632 3518 -116 -227 -233 O ATOM 1109 CG2 THR A 264 2.426 3.705 -1.506 1.00 26.97 C ANISOU 1109 CG2 THR A 264 3092 3715 3440 -143 -131 -281 C ATOM 1110 H THR A 264 4.932 4.448 -3.531 1.00 26.47 H ATOM 1111 HA THR A 264 4.339 5.442 -1.074 1.00 25.94 H ATOM 1112 HB THR A 264 4.072 3.146 -0.430 1.00 29.48 H ATOM 1113 HG1 THR A 264 5.134 2.259 -2.161 1.00 32.83 H ATOM 1114 HG21 THR A 264 1.927 2.891 -1.336 1.00 32.36 H ATOM 1115 HG22 THR A 264 2.136 4.388 -0.881 1.00 32.36 H ATOM 1116 HG23 THR A 264 2.241 4.005 -2.409 1.00 32.36 H ATOM 1117 N CYS A 265 6.444 4.818 0.098 1.00 21.39 N ANISOU 1117 N CYS A 265 2314 3235 2578 92 -61 -121 N ATOM 1118 CA CYS A 265 7.785 4.622 0.636 1.00 21.02 C ANISOU 1118 CA CYS A 265 2358 3108 2523 54 -108 -76 C ATOM 1119 C CYS A 265 8.173 3.151 0.556 1.00 20.62 C ANISOU 1119 C CYS A 265 2346 3036 2451 -57 -133 49 C ATOM 1120 O CYS A 265 7.441 2.277 1.028 1.00 22.55 O ANISOU 1120 O CYS A 265 2557 3393 2617 -142 -100 85 O ATOM 1121 CB CYS A 265 7.851 5.107 2.084 1.00 22.80 C ANISOU 1121 CB CYS A 265 2590 3427 2647 41 -85 -142 C ATOM 1122 SG CYS A 265 9.429 4.803 2.909 1.00 21.91 S ANISOU 1122 SG CYS A 265 2583 3235 2505 -18 -140 -85 S ATOM 1123 H CYS A 265 5.877 5.133 0.662 1.00 25.67 H ATOM 1124 HA CYS A 265 8.420 5.135 0.112 1.00 25.23 H ATOM 1125 HB2 CYS A 265 7.692 6.064 2.097 1.00 27.36 H ATOM 1126 HB3 CYS A 265 7.161 4.655 2.594 1.00 27.36 H ATOM 1127 N SER A 266 9.333 2.880 -0.046 1.00 20.25 N ANISOU 1127 N SER A 266 2371 2848 2476 -56 -192 116 N ATOM 1128 CA SER A 266 9.782 1.503 -0.210 1.00 22.44 C ANISOU 1128 CA SER A 266 2692 3089 2746 -150 -224 232 C ATOM 1129 C SER A 266 10.068 0.817 1.120 1.00 30.92 C ANISOU 1129 C SER A 266 3799 4237 3711 -252 -220 271 C ATOM 1130 O SER A 266 10.061 -0.417 1.177 1.00 33.00 O ANISOU 1130 O SER A 266 4081 4514 3945 -345 -233 362 O ATOM 1131 CB SER A 266 11.030 1.466 -1.091 1.00 21.43 C ANISOU 1131 CB SER A 266 2631 2795 2715 -115 -289 287 C ATOM 1132 OG SER A 266 10.692 1.680 -2.449 1.00 23.35 O ANISOU 1132 OG SER A 266 2843 2977 3054 -48 -295 283 O ATOM 1133 H SER A 266 9.871 3.471 -0.363 1.00 24.30 H ATOM 1134 HA SER A 266 9.086 0.999 -0.660 1.00 26.93 H ATOM 1135 HB2 SER A 266 11.640 2.163 -0.804 1.00 25.71 H ATOM 1136 HB3 SER A 266 11.452 0.598 -1.004 1.00 25.71 H ATOM 1137 HG SER A 266 10.163 1.083 -2.711 1.00 28.03 H ATOM 1138 N SER A 267 10.313 1.578 2.185 1.00 23.96 N ANISOU 1138 N SER A 267 2928 3405 2771 -236 -206 205 N ATOM 1139 CA SER A 267 10.595 0.993 3.491 1.00 25.08 C ANISOU 1139 CA SER A 267 3100 3625 2804 -330 -202 238 C ATOM 1140 C SER A 267 9.313 0.703 4.271 1.00 28.82 C ANISOU 1140 C SER A 267 3501 4278 3171 -385 -138 212 C ATOM 1141 O SER A 267 9.042 -0.448 4.626 1.00 34.51 O ANISOU 1141 O SER A 267 4220 5060 3831 -490 -134 293 O ATOM 1142 CB SER A 267 11.511 1.924 4.290 1.00 34.90 C ANISOU 1142 CB SER A 267 4392 4838 4030 -290 -221 180 C ATOM 1143 OG SER A 267 11.769 1.397 5.579 1.00 40.94 O ANISOU 1143 OG SER A 267 5184 5685 4686 -380 -216 209 O ATOM 1144 H SER A 267 10.322 2.438 2.176 1.00 28.75 H ATOM 1145 HA SER A 267 11.063 0.152 3.364 1.00 30.10 H ATOM 1146 HB2 SER A 267 12.351 2.024 3.815 1.00 41.88 H ATOM 1147 HB3 SER A 267 11.079 2.788 4.383 1.00 41.88 H ATOM 1148 HG SER A 267 12.272 1.916 6.007 1.00 49.13 H ATOM 1149 N CYS A 268 8.516 1.737 4.544 1.00 26.06 N ANISOU 1149 N CYS A 268 3088 4015 2796 -315 -90 101 N ATOM 1150 CA CYS A 268 7.314 1.583 5.354 1.00 27.37 C ANISOU 1150 CA CYS A 268 3179 4366 2854 -358 -25 66 C ATOM 1151 C CYS A 268 6.059 1.311 4.532 1.00 29.42 C ANISOU 1151 C CYS A 268 3356 4684 3137 -351 12 67 C ATOM 1152 O CYS A 268 5.010 1.025 5.118 1.00 34.18 O ANISOU 1152 O CYS A 268 3890 5444 3651 -399 64 55 O ATOM 1153 CB CYS A 268 7.098 2.833 6.216 1.00 27.05 C ANISOU 1153 CB CYS A 268 3113 4405 2760 -286 10 -61 C ATOM 1154 SG CYS A 268 6.546 4.288 5.313 1.00 30.63 S ANISOU 1154 SG CYS A 268 3514 4815 3308 -131 26 -184 S ATOM 1155 H CYS A 268 8.652 2.540 4.269 1.00 31.27 H ATOM 1156 HA CYS A 268 7.440 0.831 5.954 1.00 32.84 H ATOM 1157 HB2 CYS A 268 6.427 2.633 6.888 1.00 32.46 H ATOM 1158 HB3 CYS A 268 7.936 3.058 6.650 1.00 32.46 H ATOM 1159 N ARG A 269 6.136 1.395 3.203 1.00 27.53 N ANISOU 1159 N ARG A 269 3119 4326 3013 -295 -15 83 N ATOM 1160 CA ARG A 269 5.023 1.084 2.308 1.00 29.17 C ANISOU 1160 CA ARG A 269 3254 4574 3254 -289 12 92 C ATOM 1161 C ARG A 269 3.851 2.046 2.481 1.00 29.12 C ANISOU 1161 C ARG A 269 3156 4690 3219 -216 74 -20 C ATOM 1162 O ARG A 269 2.743 1.767 2.011 1.00 30.08 O ANISOU 1162 O ARG A 269 3202 4888 3338 -224 108 -18 O ATOM 1163 CB ARG A 269 4.545 -0.361 2.499 1.00 31.74 C ANISOU 1163 CB ARG A 269 3567 4972 3520 -419 17 196 C ATOM 1164 CG ARG A 269 5.631 -1.403 2.285 1.00 36.51 C ANISOU 1164 CG ARG A 269 4261 5457 4155 -492 -47 309 C ATOM 1165 CD ARG A 269 5.079 -2.820 2.374 1.00 52.96 C ANISOU 1165 CD ARG A 269 6330 7603 6189 -617 -47 411 C ATOM 1166 NE ARG A 269 4.526 -3.290 1.103 1.00 57.89 N ANISOU 1166 NE ARG A 269 6925 8178 6891 -609 -58 446 N ATOM 1167 CZ ARG A 269 3.232 -3.334 0.790 1.00 55.69 C ANISOU 1167 CZ ARG A 269 6559 8003 6598 -612 -14 425 C ATOM 1168 NH1 ARG A 269 2.860 -3.787 -0.401 1.00 57.32 N ANISOU 1168 NH1 ARG A 269 6748 8149 6880 -606 -33 461 N ATOM 1169 NH2 ARG A 269 2.304 -2.937 1.650 1.00 61.74 N ANISOU 1169 NH2 ARG A 269 7251 8935 7273 -622 48 367 N ATOM 1170 H ARG A 269 6.847 1.639 2.785 1.00 33.03 H ATOM 1171 HA ARG A 269 5.334 1.168 1.393 1.00 35.00 H ATOM 1172 HB2 ARG A 269 4.211 -0.463 3.404 1.00 38.08 H ATOM 1173 HB3 ARG A 269 3.833 -0.541 1.865 1.00 38.08 H ATOM 1174 HG2 ARG A 269 6.019 -1.283 1.404 1.00 43.82 H ATOM 1175 HG3 ARG A 269 6.312 -1.299 2.967 1.00 43.82 H ATOM 1176 HD2 ARG A 269 5.795 -3.422 2.631 1.00 63.55 H ATOM 1177 HD3 ARG A 269 4.371 -2.843 3.036 1.00 63.55 H ATOM 1178 HE ARG A 269 5.084 -3.562 0.508 1.00 69.46 H ATOM 1179 HH11 ARG A 269 3.453 -4.047 -0.966 1.00 68.78 H ATOM 1180 HH12 ARG A 269 2.026 -3.818 -0.608 1.00 68.78 H ATOM 1181 HH21 ARG A 269 2.534 -2.643 2.425 1.00 74.09 H ATOM 1182 HH22 ARG A 269 1.473 -2.973 1.432 1.00 74.09 H ATOM 1183 N ASP A 270 4.077 3.184 3.128 1.00 30.41 N ANISOU 1183 N ASP A 270 3324 4871 3362 -141 87 -120 N ATOM 1184 CA ASP A 270 3.037 4.165 3.390 1.00 28.45 C ANISOU 1184 CA ASP A 270 2993 4737 3082 -63 143 -236 C ATOM 1185 C ASP A 270 3.317 5.447 2.614 1.00 26.11 C ANISOU 1185 C ASP A 270 2703 4324 2892 73 121 -320 C ATOM 1186 O ASP A 270 4.405 5.651 2.068 1.00 24.14 O ANISOU 1186 O ASP A 270 2527 3917 2728 103 64 -292 O ATOM 1187 CB ASP A 270 2.954 4.459 4.893 1.00 32.33 C ANISOU 1187 CB ASP A 270 3476 5361 3447 -86 177 -295 C ATOM 1188 CG ASP A 270 1.641 5.091 5.294 1.00 37.48 C ANISOU 1188 CG ASP A 270 4027 6179 4035 -36 247 -396 C ATOM 1189 OD1 ASP A 270 0.662 4.968 4.527 1.00 47.79 O ANISOU 1189 OD1 ASP A 270 5260 7525 5373 -18 274 -395 O ATOM 1190 OD2 ASP A 270 1.587 5.702 6.381 1.00 37.44 O ANISOU 1190 OD2 ASP A 270 4013 6267 3946 -13 273 -477 O ATOM 1191 H ASP A 270 4.847 3.414 3.433 1.00 36.50 H ATOM 1192 HA ASP A 270 2.181 3.812 3.100 1.00 34.15 H ATOM 1193 HB2 ASP A 270 3.050 3.628 5.383 1.00 38.80 H ATOM 1194 HB3 ASP A 270 3.667 5.071 5.134 1.00 38.80 H ATOM 1195 N GLN A 271 2.305 6.314 2.563 1.00 27.96 N ANISOU 1195 N GLN A 271 2859 4643 3123 156 166 -421 N ATOM 1196 CA GLN A 271 2.468 7.682 2.079 1.00 26.76 C ANISOU 1196 CA GLN A 271 2709 4404 3055 290 150 -519 C ATOM 1197 C GLN A 271 2.430 8.642 3.263 1.00 28.33 C ANISOU 1197 C GLN A 271 2903 4681 3179 340 174 -633 C ATOM 1198 O GLN A 271 3.445 9.261 3.587 1.00 30.39 O ANISOU 1198 O GLN A 271 3235 4846 3464 374 132 -662 O ATOM 1199 CB GLN A 271 1.397 8.027 1.039 1.00 25.88 C ANISOU 1199 CB GLN A 271 2516 4310 3008 361 176 -553 C ATOM 1200 CG GLN A 271 1.509 7.207 -0.244 1.00 26.76 C ANISOU 1200 CG GLN A 271 2636 4326 3205 326 145 -449 C ATOM 1201 CD GLN A 271 0.408 7.500 -1.249 1.00 24.86 C ANISOU 1201 CD GLN A 271 2312 4113 3021 390 171 -479 C ATOM 1202 OE1 GLN A 271 -0.692 7.915 -0.885 1.00 26.06 O ANISOU 1202 OE1 GLN A 271 2381 4398 3121 424 225 -554 O ATOM 1203 NE2 GLN A 271 0.701 7.275 -2.525 1.00 27.30 N ANISOU 1203 NE2 GLN A 271 2639 4298 3434 407 132 -420 N ATOM 1204 H GLN A 271 1.501 6.128 2.807 1.00 33.56 H ATOM 1205 HA GLN A 271 3.336 7.765 1.654 1.00 32.11 H ATOM 1206 HB2 GLN A 271 0.522 7.861 1.422 1.00 31.06 H ATOM 1207 HB3 GLN A 271 1.481 8.964 0.801 1.00 31.06 H ATOM 1208 HG2 GLN A 271 2.359 7.404 -0.669 1.00 32.11 H ATOM 1209 HG3 GLN A 271 1.464 6.265 -0.019 1.00 32.11 H ATOM 1210 HE21 GLN A 271 1.479 6.980 -2.742 1.00 32.75 H ATOM 1211 HE22 GLN A 271 0.113 7.424 -3.134 1.00 32.75 H ATOM 1212 N GLY A 272 1.284 8.780 3.924 1.00 27.34 N ANISOU 1212 N GLY A 272 2694 4730 2962 346 238 -699 N ATOM 1213 CA GLY A 272 1.232 9.413 5.224 1.00 28.42 C ANISOU 1213 CA GLY A 272 2828 4971 3000 368 265 -794 C ATOM 1214 C GLY A 272 1.253 10.930 5.179 1.00 28.73 C ANISOU 1214 C GLY A 272 2866 4959 3092 509 255 -929 C ATOM 1215 O GLY A 272 1.224 11.570 4.123 1.00 30.05 O ANISOU 1215 O GLY A 272 3027 5016 3374 596 230 -953 O ATOM 1216 H GLY A 272 0.520 8.510 3.634 1.00 32.80 H ATOM 1217 HA2 GLY A 272 0.421 9.137 5.679 1.00 34.11 H ATOM 1218 HA3 GLY A 272 1.990 9.117 5.751 1.00 34.11 H ATOM 1219 N LYS A 273 1.314 11.509 6.382 1.00 34.12 N ANISOU 1219 N LYS A 273 3554 5724 3684 531 272 -1018 N ATOM 1220 CA LYS A 273 1.241 12.960 6.523 1.00 38.99 C ANISOU 1220 CA LYS A 273 4168 6312 4334 665 265 -1159 C ATOM 1221 C LYS A 273 2.436 13.655 5.879 1.00 36.33 C ANISOU 1221 C LYS A 273 3920 5761 4123 721 187 -1157 C ATOM 1222 O LYS A 273 2.325 14.815 5.468 1.00 41.09 O ANISOU 1222 O LYS A 273 4517 6295 4802 839 169 -1249 O ATOM 1223 CB LYS A 273 1.142 13.339 8.005 1.00 40.73 C ANISOU 1223 CB LYS A 273 4384 6667 4424 667 295 -1250 C ATOM 1224 CG LYS A 273 2.393 13.024 8.827 1.00 47.55 C ANISOU 1224 CG LYS A 273 5344 7478 5244 593 254 -1206 C ATOM 1225 CD LYS A 273 2.344 13.653 10.217 1.00 51.78 C ANISOU 1225 CD LYS A 273 5881 8128 5665 620 277 -1318 C ATOM 1226 CE LYS A 273 1.551 12.810 11.202 1.00 59.40 C ANISOU 1226 CE LYS A 273 6782 9314 6474 532 346 -1298 C ATOM 1227 NZ LYS A 273 1.749 13.276 12.605 1.00 64.70 N ANISOU 1227 NZ LYS A 273 7471 10087 7027 540 358 -1388 N ATOM 1228 H LYS A 273 1.397 11.085 7.125 1.00 40.94 H ATOM 1229 HA LYS A 273 0.439 13.278 6.080 1.00 46.79 H ATOM 1230 HB2 LYS A 273 0.979 14.292 8.071 1.00 48.88 H ATOM 1231 HB3 LYS A 273 0.401 12.853 8.400 1.00 48.88 H ATOM 1232 HG2 LYS A 273 2.470 12.063 8.933 1.00 57.05 H ATOM 1233 HG3 LYS A 273 3.172 13.373 8.365 1.00 57.05 H ATOM 1234 HD2 LYS A 273 3.248 13.743 10.556 1.00 62.14 H ATOM 1235 HD3 LYS A 273 1.922 14.524 10.156 1.00 62.14 H ATOM 1236 HE2 LYS A 273 0.606 12.876 10.992 1.00 71.28 H ATOM 1237 HE3 LYS A 273 1.845 11.888 11.144 1.00 71.28 H ATOM 1238 HZ1 LYS A 273 1.276 12.769 13.164 1.00 77.64 H ATOM 1239 HZ2 LYS A 273 2.610 13.222 12.825 1.00 77.64 H ATOM 1240 HZ3 LYS A 273 1.483 14.121 12.686 1.00 77.64 H ATOM 1241 N ASN A 274 3.577 12.969 5.785 1.00 38.84 N ANISOU 1241 N ASN A 274 4320 5973 4465 640 139 -1050 N ATOM 1242 CA ASN A 274 4.798 13.534 5.226 1.00 39.09 C ANISOU 1242 CA ASN A 274 4436 5809 4608 680 64 -1034 C ATOM 1243 C ASN A 274 5.014 13.135 3.771 1.00 37.44 C ANISOU 1243 C ASN A 274 4233 5473 4520 678 32 -940 C ATOM 1244 O ASN A 274 6.145 13.196 3.279 1.00 36.50 O ANISOU 1244 O ASN A 274 4188 5200 4482 675 -30 -884 O ATOM 1245 CB ASN A 274 6.005 13.104 6.060 1.00 42.54 C ANISOU 1245 CB ASN A 274 4960 6207 4995 599 27 -981 C ATOM 1246 CG ASN A 274 6.066 13.799 7.402 1.00 52.34 C ANISOU 1246 CG ASN A 274 6215 7531 6141 623 39 -1089 C ATOM 1247 OD1 ASN A 274 5.559 14.908 7.565 1.00 57.62 O ANISOU 1247 OD1 ASN A 274 6854 8223 6818 727 50 -1214 O ATOM 1248 ND2 ASN A 274 6.701 13.151 8.374 1.00 49.71 N ANISOU 1248 ND2 ASN A 274 5930 7242 5718 530 34 -1041 N ATOM 1249 H ASN A 274 3.667 12.155 6.046 1.00 46.61 H ATOM 1250 HA ASN A 274 4.741 14.502 5.262 1.00 46.91 H ATOM 1251 HB2 ASN A 274 5.955 12.148 6.219 1.00 51.04 H ATOM 1252 HB3 ASN A 274 6.817 13.317 5.574 1.00 51.04 H ATOM 1253 HD21 ASN A 274 6.763 13.503 9.156 1.00 59.66 H ATOM 1254 HD22 ASN A 274 7.048 12.380 8.221 1.00 59.66 H ATOM 1255 N ALA A 275 3.953 12.730 3.073 1.00 28.91 N ANISOU 1255 N ALA A 275 3076 4458 3452 680 73 -921 N ATOM 1256 CA ALA A 275 4.115 12.177 1.733 1.00 26.07 C ANISOU 1256 CA ALA A 275 2719 3994 3192 665 46 -823 C ATOM 1257 C ALA A 275 4.759 13.181 0.782 1.00 26.86 C ANISOU 1257 C ALA A 275 2856 3923 3427 763 -12 -847 C ATOM 1258 O ALA A 275 5.573 12.804 -0.069 1.00 28.05 O ANISOU 1258 O ALA A 275 3054 3945 3657 740 -59 -756 O ATOM 1259 CB ALA A 275 2.762 11.721 1.191 1.00 29.77 C ANISOU 1259 CB ALA A 275 3091 4571 3648 662 101 -816 C ATOM 1260 H ALA A 275 3.139 12.764 3.350 1.00 34.70 H ATOM 1261 HA ALA A 275 4.694 11.400 1.781 1.00 31.28 H ATOM 1262 HB1 ALA A 275 2.885 11.356 0.301 1.00 35.72 H ATOM 1263 HB2 ALA A 275 2.399 11.041 1.780 1.00 35.72 H ATOM 1264 HB3 ALA A 275 2.162 12.483 1.157 1.00 35.72 H ATOM 1265 N ASP A 276 4.409 14.463 0.905 1.00 30.56 N ANISOU 1265 N ASP A 276 3302 4388 3922 872 -11 -966 N ATOM 1266 CA ASP A 276 4.909 15.455 -0.042 1.00 29.34 C ANISOU 1266 CA ASP A 276 3174 4076 3899 966 -66 -987 C ATOM 1267 C ASP A 276 6.421 15.631 0.038 1.00 27.44 C ANISOU 1267 C ASP A 276 3033 3690 3703 947 -136 -943 C ATOM 1268 O ASP A 276 7.029 16.086 -0.937 1.00 29.44 O ANISOU 1268 O ASP A 276 3316 3801 4070 992 -189 -912 O ATOM 1269 CB ASP A 276 4.220 16.803 0.186 1.00 36.83 C ANISOU 1269 CB ASP A 276 4082 5051 4861 1087 -54 -1130 C ATOM 1270 CG ASP A 276 3.365 17.231 -0.997 1.00 40.35 C ANISOU 1270 CG ASP A 276 4460 5475 5396 1168 -46 -1148 C ATOM 1271 OD1 ASP A 276 2.767 16.355 -1.656 1.00 54.71 O ANISOU 1271 OD1 ASP A 276 6231 7343 7215 1123 -15 -1077 O ATOM 1272 OD2 ASP A 276 3.292 18.449 -1.266 1.00 57.96 O ANISOU 1272 OD2 ASP A 276 6687 7638 7697 1276 -73 -1233 O ATOM 1273 H ASP A 276 3.894 14.778 1.517 1.00 36.68 H ATOM 1274 HA ASP A 276 4.694 15.161 -0.941 1.00 35.21 H ATOM 1275 HB2 ASP A 276 3.644 16.737 0.964 1.00 44.20 H ATOM 1276 HB3 ASP A 276 4.896 17.484 0.330 1.00 44.20 H ATOM 1277 N ASN A 277 7.043 15.277 1.162 1.00 28.29 N ANISOU 1277 N ASN A 277 3191 3834 3723 878 -139 -935 N ATOM 1278 CA ASN A 277 8.485 15.400 1.328 1.00 26.97 C ANISOU 1278 CA ASN A 277 3117 3541 3590 854 -205 -890 C ATOM 1279 C ASN A 277 9.217 14.082 1.099 1.00 24.14 C ANISOU 1279 C ASN A 277 2800 3152 3221 745 -220 -751 C ATOM 1280 O ASN A 277 10.426 14.002 1.340 1.00 28.42 O ANISOU 1280 O ASN A 277 3417 3606 3775 709 -270 -703 O ATOM 1281 CB ASN A 277 8.802 15.954 2.717 1.00 32.83 C ANISOU 1281 CB ASN A 277 3895 4332 4248 855 -207 -975 C ATOM 1282 CG ASN A 277 8.454 17.424 2.843 1.00 43.70 C ANISOU 1282 CG ASN A 277 5256 5685 5662 975 -218 -1111 C ATOM 1283 OD1 ASN A 277 8.698 18.208 1.927 1.00 47.67 O ANISOU 1283 OD1 ASN A 277 5769 6063 6282 1050 -262 -1122 O ATOM 1284 ND2 ASN A 277 7.865 17.803 3.972 1.00 42.66 N ANISOU 1284 ND2 ASN A 277 5101 5677 5432 995 -180 -1217 N ATOM 1285 H ASN A 277 6.642 14.958 1.853 1.00 33.95 H ATOM 1286 HA ASN A 277 8.818 16.036 0.676 1.00 32.37 H ATOM 1287 HB2 ASN A 277 8.287 15.465 3.379 1.00 39.40 H ATOM 1288 HB3 ASN A 277 9.751 15.852 2.891 1.00 39.40 H ATOM 1289 HD21 ASN A 277 7.649 18.627 4.088 1.00 51.20 H ATOM 1290 HD22 ASN A 277 7.700 17.224 4.586 1.00 51.20 H ATOM 1291 N MET A 278 8.513 13.053 0.638 1.00 24.36 N ANISOU 1291 N MET A 278 2711 3576 2969 -193 -177 -329 N ATOM 1292 CA MET A 278 9.151 11.792 0.286 1.00 19.60 C ANISOU 1292 CA MET A 278 2141 2951 2353 -161 -167 -263 C ATOM 1293 C MET A 278 10.216 12.020 -0.785 1.00 21.81 C ANISOU 1293 C MET A 278 2384 3219 2686 -123 -186 -233 C ATOM 1294 O MET A 278 9.964 12.693 -1.786 1.00 22.90 O ANISOU 1294 O MET A 278 2489 3342 2871 -128 -182 -254 O ATOM 1295 CB MET A 278 8.084 10.816 -0.212 1.00 21.57 C ANISOU 1295 CB MET A 278 2435 3169 2591 -171 -120 -263 C ATOM 1296 CG MET A 278 8.564 9.404 -0.476 1.00 29.33 C ANISOU 1296 CG MET A 278 3460 4124 3561 -140 -112 -203 C ATOM 1297 SD MET A 278 7.309 8.424 -1.328 1.00 21.99 S ANISOU 1297 SD MET A 278 2574 3150 2633 -149 -60 -206 S ATOM 1298 CE MET A 278 5.964 8.476 -0.145 1.00 22.80 C ANISOU 1298 CE MET A 278 2708 3283 2672 -212 -39 -244 C ATOM 1299 H MET A 278 7.661 13.061 0.521 1.00 29.23 H ATOM 1300 HA MET A 278 9.567 11.412 1.076 1.00 23.51 H ATOM 1301 HB2 MET A 278 7.381 10.764 0.454 1.00 25.88 H ATOM 1302 HB3 MET A 278 7.719 11.159 -1.042 1.00 25.88 H ATOM 1303 HG2 MET A 278 9.356 9.434 -1.036 1.00 35.20 H ATOM 1304 HG3 MET A 278 8.766 8.971 0.368 1.00 35.20 H ATOM 1305 HE1 MET A 278 5.214 7.972 -0.499 1.00 27.36 H ATOM 1306 HE2 MET A 278 6.263 8.083 0.690 1.00 27.36 H ATOM 1307 HE3 MET A 278 5.705 9.399 -0.003 1.00 27.36 H ATOM 1308 N LEU A 279 11.408 11.460 -0.574 1.00 20.81 N ANISOU 1308 N LEU A 279 2258 3099 2548 -89 -209 -185 N ATOM 1309 CA LEU A 279 12.489 11.576 -1.549 1.00 22.49 C ANISOU 1309 CA LEU A 279 2431 3312 2803 -53 -225 -158 C ATOM 1310 C LEU A 279 12.310 10.565 -2.675 1.00 18.14 C ANISOU 1310 C LEU A 279 1895 2728 2270 -29 -190 -143 C ATOM 1311 O LEU A 279 11.898 9.427 -2.442 1.00 19.95 O ANISOU 1311 O LEU A 279 2174 2932 2475 -21 -170 -127 O ATOM 1312 CB LEU A 279 13.850 11.342 -0.889 1.00 19.74 C ANISOU 1312 CB LEU A 279 2073 2987 2440 -23 -265 -119 C ATOM 1313 CG LEU A 279 14.207 12.126 0.375 1.00 21.68 C ANISOU 1313 CG LEU A 279 2310 3268 2659 -42 -303 -126 C ATOM 1314 CD1 LEU A 279 15.603 11.753 0.827 1.00 19.54 C ANISOU 1314 CD1 LEU A 279 2030 3015 2380 -7 -340 -80 C ATOM 1315 CD2 LEU A 279 14.105 13.620 0.148 1.00 40.14 C ANISOU 1315 CD2 LEU A 279 4598 5623 5029 -67 -322 -164 C ATOM 1316 H LEU A 279 11.615 11.007 0.127 1.00 24.97 H ATOM 1317 HA LEU A 279 12.483 12.467 -1.932 1.00 26.99 H ATOM 1318 HB2 LEU A 279 13.907 10.402 -0.658 1.00 23.69 H ATOM 1319 HB3 LEU A 279 14.534 11.546 -1.545 1.00 23.69 H ATOM 1320 HG LEU A 279 13.588 11.886 1.082 1.00 26.02 H ATOM 1321 HD11 LEU A 279 15.819 12.255 1.629 1.00 23.45 H ATOM 1322 HD12 LEU A 279 15.630 10.802 1.015 1.00 23.45 H ATOM 1323 HD13 LEU A 279 16.232 11.969 0.121 1.00 23.45 H ATOM 1324 HD21 LEU A 279 14.338 14.081 0.969 1.00 48.16 H ATOM 1325 HD22 LEU A 279 14.717 13.874 -0.560 1.00 48.16 H ATOM 1326 HD23 LEU A 279 13.195 13.838 -0.107 1.00 48.16 H ATOM 1327 N PHE A 280 12.642 10.979 -3.898 1.00 18.23 N ANISOU 1327 N PHE A 280 1862 2742 2323 -22 -187 -145 N ATOM 1328 CA PHE A 280 12.654 10.095 -5.059 1.00 16.61 C ANISOU 1328 CA PHE A 280 1659 2515 2136 3 -156 -135 C ATOM 1329 C PHE A 280 14.092 9.818 -5.483 1.00 22.09 C ANISOU 1329 C PHE A 280 2314 3236 2846 45 -177 -109 C ATOM 1330 O PHE A 280 14.853 10.752 -5.756 1.00 20.80 O ANISOU 1330 O PHE A 280 2095 3109 2698 38 -204 -107 O ATOM 1331 CB PHE A 280 11.890 10.705 -6.240 1.00 18.13 C ANISOU 1331 CB PHE A 280 1829 2698 2361 -28 -132 -160 C ATOM 1332 CG PHE A 280 10.400 10.835 -6.027 1.00 17.01 C ANISOU 1332 CG PHE A 280 1724 2527 2212 -65 -105 -191 C ATOM 1333 CD1 PHE A 280 9.779 10.322 -4.898 1.00 16.18 C ANISOU 1333 CD1 PHE A 280 1670 2412 2068 -72 -96 -196 C ATOM 1334 CD2 PHE A 280 9.617 11.469 -6.980 1.00 24.30 C ANISOU 1334 CD2 PHE A 280 2628 3436 3168 -97 -91 -215 C ATOM 1335 CE1 PHE A 280 8.410 10.449 -4.725 1.00 21.48 C ANISOU 1335 CE1 PHE A 280 2367 3064 2729 -107 -69 -230 C ATOM 1336 CE2 PHE A 280 8.249 11.596 -6.809 1.00 22.44 C ANISOU 1336 CE2 PHE A 280 2421 3174 2931 -128 -67 -248 C ATOM 1337 CZ PHE A 280 7.647 11.084 -5.682 1.00 21.37 C ANISOU 1337 CZ PHE A 280 2332 3034 2753 -132 -54 -258 C ATOM 1338 H PHE A 280 12.869 11.788 -4.082 1.00 21.88 H ATOM 1339 HA PHE A 280 12.235 9.251 -4.826 1.00 19.93 H ATOM 1340 HB2 PHE A 280 12.241 11.593 -6.410 1.00 21.76 H ATOM 1341 HB3 PHE A 280 12.027 10.145 -7.020 1.00 21.76 H ATOM 1342 HD1 PHE A 280 10.286 9.892 -4.249 1.00 19.42 H ATOM 1343 HD2 PHE A 280 10.018 11.817 -7.744 1.00 29.16 H ATOM 1344 HE1 PHE A 280 8.005 10.102 -3.963 1.00 25.77 H ATOM 1345 HE2 PHE A 280 7.738 12.026 -7.456 1.00 26.93 H ATOM 1346 HZ PHE A 280 6.728 11.169 -5.565 1.00 25.64 H ATOM 1347 N CYS A 281 14.453 8.538 -5.564 1.00 18.49 N ANISOU 1347 N CYS A 281 1880 2759 2384 88 -169 -92 N ATOM 1348 CA CYS A 281 15.804 8.159 -5.959 1.00 18.59 C ANISOU 1348 CA CYS A 281 1851 2797 2414 135 -190 -78 C ATOM 1349 C CYS A 281 16.071 8.574 -7.400 1.00 20.59 C ANISOU 1349 C CYS A 281 2045 3081 2696 130 -171 -94 C ATOM 1350 O CYS A 281 15.254 8.329 -8.291 1.00 20.55 O ANISOU 1350 O CYS A 281 2050 3057 2701 115 -133 -111 O ATOM 1351 CB CYS A 281 16.002 6.652 -5.806 1.00 21.63 C ANISOU 1351 CB CYS A 281 2273 3144 2799 184 -190 -64 C ATOM 1352 SG CYS A 281 17.647 6.074 -6.291 1.00 22.59 S ANISOU 1352 SG CYS A 281 2338 3295 2950 250 -217 -60 S ATOM 1353 H CYS A 281 13.934 7.873 -5.396 1.00 22.18 H ATOM 1354 HA CYS A 281 16.445 8.611 -5.387 1.00 22.31 H ATOM 1355 HB2 CYS A 281 15.866 6.412 -4.876 1.00 25.95 H ATOM 1356 HB3 CYS A 281 15.352 6.194 -6.362 1.00 25.95 H ATOM 1357 N ASP A 282 17.220 9.203 -7.634 1.00 22.65 N ANISOU 1357 N ASP A 282 2244 3396 2967 136 -199 -87 N ATOM 1358 CA ASP A 282 17.575 9.625 -8.982 1.00 21.36 C ANISOU 1358 CA ASP A 282 2019 3276 2821 121 -185 -99 C ATOM 1359 C ASP A 282 18.166 8.498 -9.817 1.00 24.34 C ANISOU 1359 C ASP A 282 2373 3666 3210 170 -164 -112 C ATOM 1360 O ASP A 282 18.515 8.728 -10.980 1.00 27.70 O ANISOU 1360 O ASP A 282 2742 4138 3644 156 -150 -126 O ATOM 1361 CB ASP A 282 18.541 10.810 -8.912 1.00 21.10 C ANISOU 1361 CB ASP A 282 1925 3302 2789 99 -226 -86 C ATOM 1362 CG ASP A 282 17.844 12.093 -8.502 1.00 23.17 C ANISOU 1362 CG ASP A 282 2197 3555 3053 42 -247 -84 C ATOM 1363 OD1 ASP A 282 16.730 12.346 -9.008 1.00 27.09 O ANISOU 1363 OD1 ASP A 282 2711 4022 3558 6 -224 -99 O ATOM 1364 OD2 ASP A 282 18.393 12.837 -7.665 1.00 26.03 O ANISOU 1364 OD2 ASP A 282 2546 3936 3410 36 -289 -71 O ATOM 1365 H ASP A 282 17.805 9.396 -7.033 1.00 27.18 H ATOM 1366 HA ASP A 282 16.771 9.930 -9.431 1.00 25.63 H ATOM 1367 HB2 ASP A 282 19.231 10.619 -8.258 1.00 25.32 H ATOM 1368 HB3 ASP A 282 18.938 10.948 -9.786 1.00 25.32 H ATOM 1369 N SER A 283 18.264 7.288 -9.265 1.00 23.24 N ANISOU 1369 N SER A 283 2274 3484 3071 222 -166 -111 N ATOM 1370 CA SER A 283 18.707 6.116 -10.009 1.00 23.57 C ANISOU 1370 CA SER A 283 2298 3524 3132 275 -151 -133 C ATOM 1371 C SER A 283 17.567 5.166 -10.358 1.00 33.04 C ANISOU 1371 C SER A 283 3556 4661 4336 280 -114 -145 C ATOM 1372 O SER A 283 17.515 4.661 -11.483 1.00 24.02 O ANISOU 1372 O SER A 283 2389 3529 3209 292 -84 -174 O ATOM 1373 CB SER A 283 19.773 5.360 -9.207 1.00 26.48 C ANISOU 1373 CB SER A 283 2665 3886 3510 338 -193 -123 C ATOM 1374 OG SER A 283 20.152 4.161 -9.859 1.00 39.00 O ANISOU 1374 OG SER A 283 4236 5460 5123 395 -185 -152 O ATOM 1375 H SER A 283 18.075 7.121 -8.443 1.00 27.89 H ATOM 1376 HA SER A 283 19.114 6.409 -10.840 1.00 28.28 H ATOM 1377 HB2 SER A 283 20.554 5.927 -9.112 1.00 31.78 H ATOM 1378 HB3 SER A 283 19.413 5.143 -8.333 1.00 31.78 H ATOM 1379 HG SER A 283 19.484 3.659 -9.948 1.00 46.80 H ATOM 1380 N CYS A 284 16.644 4.919 -9.425 1.00 23.89 N ANISOU 1380 N CYS A 284 2472 3444 3162 266 -117 -126 N ATOM 1381 CA CYS A 284 15.552 3.974 -9.627 1.00 22.83 C ANISOU 1381 CA CYS A 284 2399 3248 3028 267 -87 -132 C ATOM 1382 C CYS A 284 14.174 4.592 -9.427 1.00 22.29 C ANISOU 1382 C CYS A 284 2374 3157 2939 206 -61 -128 C ATOM 1383 O CYS A 284 13.168 3.911 -9.657 1.00 23.13 O ANISOU 1383 O CYS A 284 2529 3217 3043 198 -32 -133 O ATOM 1384 CB CYS A 284 15.707 2.777 -8.677 1.00 21.69 C ANISOU 1384 CB CYS A 284 2309 3048 2884 310 -120 -111 C ATOM 1385 SG CYS A 284 15.427 3.172 -6.932 1.00 20.46 S ANISOU 1385 SG CYS A 284 2208 2877 2688 277 -157 -70 S ATOM 1386 H CYS A 284 16.634 5.295 -8.652 1.00 28.67 H ATOM 1387 HA CYS A 284 15.595 3.638 -10.536 1.00 27.40 H ATOM 1388 HB2 CYS A 284 15.067 2.094 -8.931 1.00 26.03 H ATOM 1389 HB3 CYS A 284 16.608 2.428 -8.760 1.00 26.03 H ATOM 1390 N ASP A 285 14.100 5.849 -8.999 1.00 20.19 N ANISOU 1390 N ASP A 285 2090 2922 2661 163 -73 -123 N ATOM 1391 CA ASP A 285 12.860 6.586 -8.765 1.00 16.42 C ANISOU 1391 CA ASP A 285 1642 2428 2170 107 -55 -130 C ATOM 1392 C ASP A 285 11.997 5.988 -7.661 1.00 16.50 C ANISOU 1392 C ASP A 285 1725 2394 2151 98 -54 -119 C ATOM 1393 O ASP A 285 10.822 6.354 -7.538 1.00 16.17 O ANISOU 1393 O ASP A 285 1711 2337 2098 55 -31 -133 O ATOM 1394 CB ASP A 285 12.022 6.717 -10.042 1.00 20.03 C ANISOU 1394 CB ASP A 285 2089 2877 2643 78 -13 -151 C ATOM 1395 CG ASP A 285 11.192 7.987 -10.053 1.00 20.70 C ANISOU 1395 CG ASP A 285 2166 2967 2731 19 -12 -163 C ATOM 1396 OD1 ASP A 285 11.733 9.042 -9.665 1.00 22.76 O ANISOU 1396 OD1 ASP A 285 2391 3262 2996 3 -46 -159 O ATOM 1397 OD2 ASP A 285 10.002 7.935 -10.427 1.00 20.98 O ANISOU 1397 OD2 ASP A 285 2231 2971 2770 -10 19 -177 O ATOM 1398 H ASP A 285 14.797 6.322 -8.827 1.00 24.23 H ATOM 1399 HA ASP A 285 13.095 7.485 -8.486 1.00 19.71 H ATOM 1400 HB2 ASP A 285 12.614 6.736 -10.810 1.00 24.03 H ATOM 1401 HB3 ASP A 285 11.418 5.961 -10.105 1.00 24.03 H ATOM 1402 N ARG A 286 12.534 5.083 -6.848 1.00 17.20 N ANISOU 1402 N ARG A 286 1844 2466 2227 133 -81 -95 N ATOM 1403 CA ARG A 286 11.813 4.665 -5.657 1.00 18.92 C ANISOU 1403 CA ARG A 286 2127 2657 2407 110 -89 -77 C ATOM 1404 C ARG A 286 11.675 5.832 -4.683 1.00 17.26 C ANISOU 1404 C ARG A 286 1906 2481 2170 69 -105 -83 C ATOM 1405 O ARG A 286 12.488 6.760 -4.662 1.00 18.47 O ANISOU 1405 O ARG A 286 2009 2673 2335 72 -128 -86 O ATOM 1406 CB ARG A 286 12.528 3.512 -4.954 1.00 19.85 C ANISOU 1406 CB ARG A 286 2276 2749 2518 151 -128 -43 C ATOM 1407 CG ARG A 286 12.417 2.164 -5.641 1.00 19.27 C ANISOU 1407 CG ARG A 286 2229 2624 2468 189 -121 -40 C ATOM 1408 CD ARG A 286 13.102 1.103 -4.799 1.00 24.16 C ANISOU 1408 CD ARG A 286 2882 3210 3086 224 -175 -3 C ATOM 1409 NE ARG A 286 13.080 -0.221 -5.420 1.00 32.87 N ANISOU 1409 NE ARG A 286 4009 4258 4221 267 -181 -3 N ATOM 1410 CZ ARG A 286 14.061 -0.734 -6.158 1.00 29.27 C ANISOU 1410 CZ ARG A 286 3510 3797 3813 331 -197 -21 C ATOM 1411 NH1 ARG A 286 15.169 -0.045 -6.389 1.00 27.37 N ANISOU 1411 NH1 ARG A 286 3199 3609 3590 357 -207 -37 N ATOM 1412 NH2 ARG A 286 13.933 -1.951 -6.669 1.00 30.81 N ANISOU 1412 NH2 ARG A 286 3731 3937 4040 368 -205 -27 N ATOM 1413 H ARG A 286 13.298 4.705 -6.962 1.00 20.64 H ATOM 1414 HA ARG A 286 10.924 4.367 -5.906 1.00 22.71 H ATOM 1415 HB2 ARG A 286 13.471 3.729 -4.889 1.00 23.82 H ATOM 1416 HB3 ARG A 286 12.155 3.417 -4.064 1.00 23.82 H ATOM 1417 HG2 ARG A 286 11.483 1.925 -5.741 1.00 23.12 H ATOM 1418 HG3 ARG A 286 12.854 2.203 -6.506 1.00 23.12 H ATOM 1419 HD2 ARG A 286 14.029 1.355 -4.666 1.00 28.99 H ATOM 1420 HD3 ARG A 286 12.650 1.039 -3.943 1.00 28.99 H ATOM 1421 HE ARG A 286 12.379 -0.704 -5.300 1.00 39.44 H ATOM 1422 HH11 ARG A 286 15.261 0.745 -6.060 1.00 32.84 H ATOM 1423 HH12 ARG A 286 15.796 -0.387 -6.868 1.00 32.84 H ATOM 1424 HH21 ARG A 286 13.216 -2.404 -6.525 1.00 36.98 H ATOM 1425 HH22 ARG A 286 14.564 -2.285 -7.148 1.00 36.98 H ATOM 1426 N GLY A 287 10.638 5.763 -3.856 1.00 17.18 N ANISOU 1426 N GLY A 287 1945 2462 2123 28 -95 -86 N ATOM 1427 CA GLY A 287 10.379 6.778 -2.852 1.00 17.42 C ANISOU 1427 CA GLY A 287 1967 2526 2124 -13 -108 -101 C ATOM 1428 C GLY A 287 10.798 6.306 -1.465 1.00 18.22 C ANISOU 1428 C GLY A 287 2103 2639 2181 -17 -144 -69 C ATOM 1429 O GLY A 287 10.615 5.141 -1.115 1.00 19.61 O ANISOU 1429 O GLY A 287 2331 2786 2335 -13 -150 -38 O ATOM 1430 H GLY A 287 10.061 5.125 -3.860 1.00 20.62 H ATOM 1431 HA2 GLY A 287 10.872 7.585 -3.069 1.00 20.90 H ATOM 1432 HA3 GLY A 287 9.432 6.988 -2.836 1.00 20.90 H ATOM 1433 N PHE A 288 11.369 7.231 -0.697 1.00 20.99 N ANISOU 1433 N PHE A 288 2425 3032 2520 -28 -174 -75 N ATOM 1434 CA PHE A 288 11.708 6.996 0.702 1.00 21.11 C ANISOU 1434 CA PHE A 288 2467 3067 2487 -44 -209 -48 C ATOM 1435 C PHE A 288 11.381 8.241 1.510 1.00 18.13 C ANISOU 1435 C PHE A 288 2067 2739 2085 -87 -214 -86 C ATOM 1436 O PHE A 288 11.810 9.343 1.153 1.00 19.71 O ANISOU 1436 O PHE A 288 2213 2958 2318 -79 -223 -111 O ATOM 1437 CB PHE A 288 13.196 6.663 0.886 1.00 19.27 C ANISOU 1437 CB PHE A 288 2216 2835 2269 3 -256 -7 C ATOM 1438 CG PHE A 288 13.594 5.315 0.367 1.00 18.83 C ANISOU 1438 CG PHE A 288 2187 2732 2237 48 -265 28 C ATOM 1439 CD1 PHE A 288 13.972 5.149 -0.954 1.00 22.14 C ANISOU 1439 CD1 PHE A 288 2571 3133 2709 94 -248 15 C ATOM 1440 CD2 PHE A 288 13.613 4.217 1.208 1.00 22.95 C ANISOU 1440 CD2 PHE A 288 2764 3228 2728 43 -297 72 C ATOM 1441 CE1 PHE A 288 14.348 3.908 -1.427 1.00 27.38 C ANISOU 1441 CE1 PHE A 288 3253 3753 3398 140 -259 36 C ATOM 1442 CE2 PHE A 288 13.987 2.976 0.741 1.00 26.83 C ANISOU 1442 CE2 PHE A 288 3278 3667 3250 88 -315 99 C ATOM 1443 CZ PHE A 288 14.357 2.822 -0.578 1.00 27.44 C ANISOU 1443 CZ PHE A 288 3316 3726 3383 140 -296 77 C ATOM 1444 H PHE A 288 11.573 8.020 -0.971 1.00 25.19 H ATOM 1445 HA PHE A 288 11.181 6.257 1.045 1.00 25.33 H ATOM 1446 HB2 PHE A 288 13.724 7.328 0.416 1.00 23.12 H ATOM 1447 HB3 PHE A 288 13.406 6.688 1.833 1.00 23.12 H ATOM 1448 HD1 PHE A 288 13.968 5.880 -1.529 1.00 26.57 H ATOM 1449 HD2 PHE A 288 13.364 4.317 2.099 1.00 27.54 H ATOM 1450 HE1 PHE A 288 14.597 3.805 -2.317 1.00 32.86 H ATOM 1451 HE2 PHE A 288 13.991 2.244 1.315 1.00 32.20 H ATOM 1452 HZ PHE A 288 14.608 1.985 -0.896 1.00 32.92 H ATOM 1453 N HIS A 289 10.622 8.071 2.589 1.00 19.66 N ANISOU 1453 N HIS A 289 2297 2954 2219 -136 -209 -93 N ATOM 1454 CA HIS A 289 10.566 9.104 3.612 1.00 22.53 C ANISOU 1454 CA HIS A 289 2638 3372 2551 -173 -225 -128 C ATOM 1455 C HIS A 289 11.957 9.321 4.188 1.00 18.90 C ANISOU 1455 C HIS A 289 2158 2932 2092 -148 -276 -93 C ATOM 1456 O HIS A 289 12.708 8.367 4.406 1.00 22.05 O ANISOU 1456 O HIS A 289 2583 3311 2482 -124 -302 -36 O ATOM 1457 CB HIS A 289 9.620 8.708 4.741 1.00 22.79 C ANISOU 1457 CB HIS A 289 2714 3437 2509 -233 -213 -137 C ATOM 1458 CG HIS A 289 8.188 8.583 4.331 1.00 24.00 C ANISOU 1458 CG HIS A 289 2883 3582 2655 -265 -164 -178 C ATOM 1459 ND1 HIS A 289 7.490 7.399 4.426 1.00 28.45 N ANISOU 1459 ND1 HIS A 289 3503 4127 3179 -289 -145 -148 N ATOM 1460 CD2 HIS A 289 7.314 9.499 3.851 1.00 24.38 C ANISOU 1460 CD2 HIS A 289 2898 3637 2731 -278 -134 -247 C ATOM 1461 CE1 HIS A 289 6.251 7.587 4.011 1.00 29.57 C ANISOU 1461 CE1 HIS A 289 3645 4269 3322 -316 -100 -197 C ATOM 1462 NE2 HIS A 289 6.118 8.852 3.655 1.00 28.90 N ANISOU 1462 NE2 HIS A 289 3505 4197 3279 -308 -93 -259 N ATOM 1463 H HIS A 289 10.138 7.378 2.749 1.00 23.59 H ATOM 1464 HA HIS A 289 10.256 9.937 3.222 1.00 27.04 H ATOM 1465 HB2 HIS A 289 9.900 7.850 5.095 1.00 27.35 H ATOM 1466 HB3 HIS A 289 9.669 9.381 5.438 1.00 27.35 H ATOM 1467 HD2 HIS A 289 7.492 10.395 3.679 1.00 29.26 H ATOM 1468 HE1 HIS A 289 5.585 6.939 3.973 1.00 35.49 H ATOM 1469 HE2 HIS A 289 5.399 9.213 3.350 1.00 34.68 H ATOM 1470 N MET A 290 12.296 10.584 4.459 1.00 23.21 N ANISOU 1470 N MET A 290 2656 3513 2650 -154 -294 -128 N ATOM 1471 CA MET A 290 13.595 10.884 5.052 1.00 23.94 C ANISOU 1471 CA MET A 290 2727 3628 2740 -135 -342 -97 C ATOM 1472 C MET A 290 13.827 10.062 6.314 1.00 25.38 C ANISOU 1472 C MET A 290 2956 3829 2858 -158 -367 -54 C ATOM 1473 O MET A 290 14.910 9.499 6.515 1.00 25.75 O ANISOU 1473 O MET A 290 3010 3866 2909 -128 -405 1 O ATOM 1474 CB MET A 290 13.698 12.378 5.359 1.00 28.12 C ANISOU 1474 CB MET A 290 3206 4195 3282 -151 -360 -148 C ATOM 1475 CG MET A 290 14.250 13.198 4.210 1.00 39.74 C ANISOU 1475 CG MET A 290 4624 5651 4825 -118 -370 -156 C ATOM 1476 SD MET A 290 14.312 14.957 4.591 1.00 39.93 S ANISOU 1476 SD MET A 290 4592 5709 4870 -141 -403 -214 S ATOM 1477 CE MET A 290 12.689 15.485 4.050 1.00 42.36 C ANISOU 1477 CE MET A 290 4895 5999 5202 -172 -365 -290 C ATOM 1478 H MET A 290 11.800 11.270 4.311 1.00 27.85 H ATOM 1479 HA MET A 290 14.288 10.667 4.409 1.00 28.72 H ATOM 1480 HB2 MET A 290 12.813 12.716 5.567 1.00 33.74 H ATOM 1481 HB3 MET A 290 14.286 12.501 6.121 1.00 33.74 H ATOM 1482 HG2 MET A 290 15.152 12.901 4.013 1.00 47.69 H ATOM 1483 HG3 MET A 290 13.682 13.078 3.433 1.00 47.69 H ATOM 1484 HE1 MET A 290 12.599 16.438 4.207 1.00 50.84 H ATOM 1485 HE2 MET A 290 12.596 15.295 3.104 1.00 50.84 H ATOM 1486 HE3 MET A 290 12.016 15.001 4.554 1.00 50.84 H ATOM 1487 N GLU A 291 12.814 9.975 7.178 1.00 26.22 N ANISOU 1487 N GLU A 291 3092 3968 2903 -217 -349 -79 N ATOM 1488 CA GLU A 291 12.936 9.209 8.412 1.00 35.13 C ANISOU 1488 CA GLU A 291 4266 5122 3961 -256 -375 -35 C ATOM 1489 C GLU A 291 13.027 7.707 8.173 1.00 31.60 C ANISOU 1489 C GLU A 291 3873 4623 3510 -241 -385 34 C ATOM 1490 O GLU A 291 13.353 6.969 9.109 1.00 29.66 O ANISOU 1490 O GLU A 291 3667 4386 3217 -268 -423 87 O ATOM 1491 CB GLU A 291 11.750 9.510 9.332 1.00 35.09 C ANISOU 1491 CB GLU A 291 4273 5175 3885 -331 -349 -85 C ATOM 1492 CG GLU A 291 10.382 9.142 8.753 1.00 42.76 C ANISOU 1492 CG GLU A 291 5265 6130 4852 -353 -296 -119 C ATOM 1493 CD GLU A 291 9.749 10.262 7.943 1.00 34.86 C ANISOU 1493 CD GLU A 291 4214 5126 3905 -339 -263 -199 C ATOM 1494 OE1 GLU A 291 10.479 11.173 7.498 1.00 38.89 O ANISOU 1494 OE1 GLU A 291 4677 5628 4472 -300 -282 -215 O ATOM 1495 OE2 GLU A 291 8.515 10.227 7.749 1.00 53.29 O ANISOU 1495 OE2 GLU A 291 6555 7466 6225 -370 -221 -244 O ATOM 1496 H GLU A 291 12.048 10.351 7.070 1.00 31.47 H ATOM 1497 HA GLU A 291 13.745 9.485 8.871 1.00 42.16 H ATOM 1498 HB2 GLU A 291 11.863 9.012 10.157 1.00 42.11 H ATOM 1499 HB3 GLU A 291 11.740 10.461 9.525 1.00 42.11 H ATOM 1500 HG2 GLU A 291 10.484 8.373 8.170 1.00 51.31 H ATOM 1501 HG3 GLU A 291 9.780 8.925 9.482 1.00 51.31 H ATOM 1502 N CYS A 292 12.746 7.239 6.959 1.00 28.11 N ANISOU 1502 N CYS A 292 3435 4126 3119 -203 -357 33 N ATOM 1503 CA CYS A 292 12.769 5.818 6.645 1.00 26.33 C ANISOU 1503 CA CYS A 292 3260 3845 2900 -185 -368 89 C ATOM 1504 C CYS A 292 14.028 5.402 5.899 1.00 26.88 C ANISOU 1504 C CYS A 292 3309 3869 3036 -108 -400 124 C ATOM 1505 O CYS A 292 14.176 4.221 5.570 1.00 37.74 O ANISOU 1505 O CYS A 292 4718 5191 4429 -82 -418 165 O ATOM 1506 CB CYS A 292 11.531 5.443 5.825 1.00 25.14 C ANISOU 1506 CB CYS A 292 3129 3665 2756 -196 -315 62 C ATOM 1507 SG CYS A 292 9.969 5.621 6.730 1.00 28.19 S ANISOU 1507 SG CYS A 292 3545 4108 3059 -290 -279 23 S ATOM 1508 H CYS A 292 12.534 7.736 6.289 1.00 33.73 H ATOM 1509 HA CYS A 292 12.738 5.316 7.474 1.00 31.60 H ATOM 1510 HB2 CYS A 292 11.488 6.017 5.044 1.00 30.16 H ATOM 1511 HB3 CYS A 292 11.609 4.517 5.548 1.00 30.16 H ATOM 1512 N CYS A 293 14.936 6.334 5.629 1.00 27.96 N ANISOU 1512 N CYS A 293 3388 4027 3209 -73 -412 106 N ATOM 1513 CA CYS A 293 16.183 5.992 4.970 1.00 28.37 C ANISOU 1513 CA CYS A 293 3411 4049 3318 -4 -442 133 C ATOM 1514 C CYS A 293 17.128 5.295 5.944 1.00 25.87 C ANISOU 1514 C CYS A 293 3119 3727 2985 4 -506 193 C ATOM 1515 O CYS A 293 16.990 5.390 7.167 1.00 27.51 O ANISOU 1515 O CYS A 293 3354 3966 3133 -48 -530 212 O ATOM 1516 CB CYS A 293 16.854 7.245 4.404 1.00 27.76 C ANISOU 1516 CB CYS A 293 3263 4004 3280 22 -436 100 C ATOM 1517 SG CYS A 293 15.942 8.034 3.065 1.00 25.60 S ANISOU 1517 SG CYS A 293 2956 3729 3044 18 -375 39 S ATOM 1518 H CYS A 293 14.852 7.169 5.819 1.00 33.55 H ATOM 1519 HA CYS A 293 16.001 5.386 4.235 1.00 34.04 H ATOM 1520 HB2 CYS A 293 16.951 7.895 5.118 1.00 33.31 H ATOM 1521 HB3 CYS A 293 17.728 7.002 4.062 1.00 33.31 H ATOM 1522 HG CYS A 293 16.549 9.000 2.695 1.00 30.72 H ATOM 1523 N ASP A 294 18.095 4.582 5.379 1.00 29.95 N ANISOU 1523 N ASP A 294 3622 4203 3553 69 -537 219 N ATOM 1524 CA ASP A 294 19.161 3.970 6.159 1.00 32.06 C ANISOU 1524 CA ASP A 294 3902 4458 3822 88 -607 273 C ATOM 1525 C ASP A 294 20.503 4.562 5.729 1.00 30.98 C ANISOU 1525 C ASP A 294 3696 4340 3733 146 -628 264 C ATOM 1526 O ASP A 294 21.020 4.199 4.675 1.00 36.19 O ANISOU 1526 O ASP A 294 4322 4976 4452 207 -623 251 O ATOM 1527 CB ASP A 294 19.167 2.451 5.973 1.00 34.68 C ANISOU 1527 CB ASP A 294 4280 4718 4179 116 -641 312 C ATOM 1528 CG ASP A 294 20.036 1.740 6.993 1.00 45.88 C ANISOU 1528 CG ASP A 294 5725 6115 5590 119 -724 375 C ATOM 1529 OD1 ASP A 294 20.856 2.412 7.653 1.00 47.29 O ANISOU 1529 OD1 ASP A 294 5876 6336 5757 116 -753 386 O ATOM 1530 OD2 ASP A 294 19.901 0.505 7.135 1.00 54.48 O ANISOU 1530 OD2 ASP A 294 6865 7145 6691 123 -766 415 O ATOM 1531 H ASP A 294 18.157 4.437 4.533 1.00 35.94 H ATOM 1532 HA ASP A 294 19.026 4.164 7.100 1.00 38.47 H ATOM 1533 HB2 ASP A 294 18.261 2.117 6.065 1.00 41.62 H ATOM 1534 HB3 ASP A 294 19.509 2.242 5.089 1.00 41.62 H ATOM 1535 N PRO A 295 21.070 5.480 6.529 1.00 29.97 N ANISOU 1535 N PRO A 295 3545 4264 3581 125 -650 269 N ATOM 1536 CA PRO A 295 20.587 6.003 7.811 1.00 30.15 C ANISOU 1536 CA PRO A 295 3596 4327 3532 54 -658 276 C ATOM 1537 C PRO A 295 19.477 7.035 7.649 1.00 26.15 C ANISOU 1537 C PRO A 295 3079 3858 2999 8 -599 218 C ATOM 1538 O PRO A 295 19.359 7.621 6.573 1.00 27.65 O ANISOU 1538 O PRO A 295 3227 4048 3231 34 -561 177 O ATOM 1539 CB PRO A 295 21.834 6.652 8.404 1.00 41.73 C ANISOU 1539 CB PRO A 295 5024 5829 5001 68 -704 294 C ATOM 1540 CG PRO A 295 22.568 7.137 7.217 1.00 34.73 C ANISOU 1540 CG PRO A 295 4071 4945 4179 129 -689 266 C ATOM 1541 CD PRO A 295 22.356 6.094 6.154 1.00 44.48 C ANISOU 1541 CD PRO A 295 5315 6126 5460 174 -671 263 C ATOM 1542 HA PRO A 295 20.286 5.283 8.386 1.00 36.18 H ATOM 1543 HB2 PRO A 295 21.582 7.389 8.982 1.00 50.07 H ATOM 1544 HB3 PRO A 295 22.354 5.991 8.888 1.00 50.07 H ATOM 1545 HG2 PRO A 295 22.203 7.991 6.936 1.00 41.68 H ATOM 1546 HG3 PRO A 295 23.510 7.222 7.429 1.00 41.68 H ATOM 1547 HD2 PRO A 295 22.289 6.510 5.280 1.00 53.38 H ATOM 1548 HD3 PRO A 295 23.066 5.434 6.181 1.00 53.38 H ATOM 1549 N PRO A 296 18.687 7.268 8.696 1.00 30.42 N ANISOU 1549 N PRO A 296 3652 4433 3472 -62 -593 212 N ATOM 1550 CA PRO A 296 17.624 8.272 8.593 1.00 29.29 C ANISOU 1550 CA PRO A 296 3492 4326 3309 -102 -542 146 C ATOM 1551 C PRO A 296 18.204 9.665 8.428 1.00 27.91 C ANISOU 1551 C PRO A 296 3254 4188 3162 -88 -546 108 C ATOM 1552 O PRO A 296 19.276 9.984 8.949 1.00 29.48 O ANISOU 1552 O PRO A 296 3432 4408 3362 -74 -589 133 O ATOM 1553 CB PRO A 296 16.865 8.138 9.919 1.00 30.94 C ANISOU 1553 CB PRO A 296 3745 4577 3434 -180 -546 149 C ATOM 1554 CG PRO A 296 17.366 6.879 10.555 1.00 40.74 C ANISOU 1554 CG PRO A 296 5037 5792 4652 -185 -596 226 C ATOM 1555 CD PRO A 296 18.748 6.674 10.040 1.00 31.57 C ANISOU 1555 CD PRO A 296 3847 4594 3555 -110 -637 261 C ATOM 1556 HA PRO A 296 17.031 8.071 7.852 1.00 35.14 H ATOM 1557 HB2 PRO A 296 17.058 8.904 10.482 1.00 37.13 H ATOM 1558 HB3 PRO A 296 15.913 8.075 9.744 1.00 37.13 H ATOM 1559 HG2 PRO A 296 17.375 6.985 11.519 1.00 48.89 H ATOM 1560 HG3 PRO A 296 16.795 6.138 10.299 1.00 48.89 H ATOM 1561 HD2 PRO A 296 19.390 7.147 10.593 1.00 37.89 H ATOM 1562 HD3 PRO A 296 18.953 5.727 9.985 1.00 37.89 H ATOM 1563 N LEU A 297 17.478 10.500 7.692 1.00 25.87 N ANISOU 1563 N LEU A 297 2966 3935 2929 -93 -505 50 N ATOM 1564 CA LEU A 297 17.935 11.839 7.358 1.00 26.00 C ANISOU 1564 CA LEU A 297 2922 3975 2981 -82 -513 14 C ATOM 1565 C LEU A 297 17.127 12.890 8.102 1.00 31.52 C ANISOU 1565 C LEU A 297 3611 4718 3648 -135 -505 -47 C ATOM 1566 O LEU A 297 15.899 12.806 8.187 1.00 34.51 O ANISOU 1566 O LEU A 297 4011 5098 4002 -171 -468 -86 O ATOM 1567 CB LEU A 297 17.844 12.081 5.851 1.00 24.85 C ANISOU 1567 CB LEU A 297 2742 3799 2899 -48 -486 -5 C ATOM 1568 CG LEU A 297 18.732 11.147 5.026 1.00 28.91 C ANISOU 1568 CG LEU A 297 3253 4282 3451 9 -494 41 C ATOM 1569 CD1 LEU A 297 18.452 11.315 3.551 1.00 30.68 C ANISOU 1569 CD1 LEU A 297 3446 4485 3726 30 -460 17 C ATOM 1570 CD2 LEU A 297 20.200 11.402 5.320 1.00 36.20 C ANISOU 1570 CD2 LEU A 297 4140 5227 4386 40 -544 74 C ATOM 1571 H LEU A 297 16.703 10.308 7.370 1.00 31.04 H ATOM 1572 HA LEU A 297 18.864 11.931 7.621 1.00 31.20 H ATOM 1573 HB2 LEU A 297 16.926 11.946 5.567 1.00 29.81 H ATOM 1574 HB3 LEU A 297 18.116 12.992 5.662 1.00 29.81 H ATOM 1575 HG LEU A 297 18.533 10.229 5.267 1.00 34.70 H ATOM 1576 HD11 LEU A 297 19.027 10.713 3.051 1.00 36.82 H ATOM 1577 HD12 LEU A 297 17.522 11.102 3.380 1.00 36.82 H ATOM 1578 HD13 LEU A 297 18.635 12.233 3.298 1.00 36.82 H ATOM 1579 HD21 LEU A 297 20.738 10.797 4.785 1.00 43.44 H ATOM 1580 HD22 LEU A 297 20.412 12.321 5.095 1.00 43.44 H ATOM 1581 HD23 LEU A 297 20.365 11.245 6.263 1.00 43.44 H ATOM 1582 N THR A 298 17.836 13.877 8.640 1.00 39.94 N ANISOU 1582 N THR A 298 5372 5505 4298 -196 183 345 N ATOM 1583 CA THR A 298 17.219 15.012 9.310 1.00 47.11 C ANISOU 1583 CA THR A 298 6394 6326 5179 -273 154 271 C ATOM 1584 C THR A 298 16.914 16.153 8.353 1.00 41.65 C ANISOU 1584 C THR A 298 5757 5536 4533 -388 80 197 C ATOM 1585 O THR A 298 15.920 16.864 8.542 1.00 40.72 O ANISOU 1585 O THR A 298 5736 5267 4470 -416 82 120 O ATOM 1586 CB THR A 298 18.143 15.516 10.423 1.00 47.93 C ANISOU 1586 CB THR A 298 6507 6588 5116 -339 102 296 C ATOM 1587 OG1 THR A 298 18.315 14.481 11.399 1.00 47.90 O ANISOU 1587 OG1 THR A 298 6462 6664 5074 -230 174 362 O ATOM 1588 CG2 THR A 298 17.577 16.765 11.101 1.00 48.93 C ANISOU 1588 CG2 THR A 298 6753 6632 5207 -425 61 213 C ATOM 1589 H THR A 298 18.695 13.911 8.627 1.00 47.93 H ATOM 1590 HA THR A 298 16.386 14.727 9.715 1.00 56.53 H ATOM 1591 HB THR A 298 19.006 15.743 10.043 1.00 57.52 H ATOM 1592 HG1 THR A 298 18.820 14.748 12.014 1.00 57.48 H ATOM 1593 HG21 THR A 298 18.179 17.064 11.801 1.00 58.72 H ATOM 1594 HG22 THR A 298 17.472 17.477 10.450 1.00 58.72 H ATOM 1595 HG23 THR A 298 16.712 16.567 11.493 1.00 58.72 H ATOM 1596 N ARG A 299 17.749 16.344 7.336 1.00 31.23 N ANISOU 1596 N ARG A 299 4377 4299 3191 -456 15 220 N ATOM 1597 CA ARG A 299 17.585 17.423 6.378 1.00 31.68 C ANISOU 1597 CA ARG A 299 4475 4279 3281 -573 -63 162 C ATOM 1598 C ARG A 299 17.573 16.857 4.966 1.00 29.64 C ANISOU 1598 C ARG A 299 4152 3992 3119 -539 -51 178 C ATOM 1599 O ARG A 299 18.025 15.738 4.713 1.00 28.82 O ANISOU 1599 O ARG A 299 3956 3970 3023 -447 -4 242 O ATOM 1600 CB ARG A 299 18.700 18.462 6.505 1.00 33.25 C ANISOU 1600 CB ARG A 299 4671 4618 3344 -717 -174 172 C ATOM 1601 CG ARG A 299 18.736 19.165 7.843 1.00 35.22 C ANISOU 1601 CG ARG A 299 4993 4893 3494 -764 -202 145 C ATOM 1602 CD ARG A 299 19.897 20.139 7.925 1.00 47.84 C ANISOU 1602 CD ARG A 299 6581 6633 4962 -906 -317 161 C ATOM 1603 NE ARG A 299 19.948 21.044 6.776 1.00 57.65 N ANISOU 1603 NE ARG A 299 7834 7827 6243 -1020 -399 127 N ATOM 1604 CZ ARG A 299 20.777 20.928 5.740 1.00 44.79 C ANISOU 1604 CZ ARG A 299 6121 6294 4603 -1061 -440 177 C ATOM 1605 NH1 ARG A 299 21.663 19.941 5.671 1.00 36.22 N ANISOU 1605 NH1 ARG A 299 4931 5362 3471 -997 -408 261 N ATOM 1606 NH2 ARG A 299 20.720 21.819 4.762 1.00 49.98 N ANISOU 1606 NH2 ARG A 299 6799 6896 5297 -1168 -513 143 N ATOM 1607 H ARG A 299 18.434 15.847 7.179 1.00 37.48 H ATOM 1608 HA ARG A 299 16.736 17.866 6.536 1.00 38.01 H ATOM 1609 HB2 ARG A 299 19.554 18.020 6.380 1.00 39.90 H ATOM 1610 HB3 ARG A 299 18.577 19.137 5.819 1.00 39.90 H ATOM 1611 HG2 ARG A 299 17.912 19.662 7.967 1.00 42.26 H ATOM 1612 HG3 ARG A 299 18.840 18.507 8.548 1.00 42.26 H ATOM 1613 HD2 ARG A 299 19.804 20.676 8.727 1.00 57.40 H ATOM 1614 HD3 ARG A 299 20.728 19.640 7.952 1.00 57.40 H ATOM 1615 HE ARG A 299 19.398 21.705 6.770 1.00 69.18 H ATOM 1616 HH11 ARG A 299 21.707 19.359 6.302 1.00 43.47 H ATOM 1617 HH12 ARG A 299 22.191 19.883 4.995 1.00 43.47 H ATOM 1618 HH21 ARG A 299 20.150 22.462 4.798 1.00 59.98 H ATOM 1619 HH22 ARG A 299 21.252 21.753 4.089 1.00 59.98 H ATOM 1620 N MET A 300 17.060 17.656 4.049 1.00 32.77 N ANISOU 1620 N MET A 300 4596 4271 3585 -616 -98 119 N ATOM 1621 CA MET A 300 16.998 17.255 2.653 1.00 31.68 C ANISOU 1621 CA MET A 300 4406 4097 3535 -595 -95 125 C ATOM 1622 C MET A 300 18.407 17.100 2.087 1.00 30.90 C ANISOU 1622 C MET A 300 4204 4197 3339 -640 -146 195 C ATOM 1623 O MET A 300 19.246 17.990 2.280 1.00 31.26 O ANISOU 1623 O MET A 300 4251 4351 3273 -760 -231 206 O ATOM 1624 CB MET A 300 16.222 18.298 1.858 1.00 35.29 C ANISOU 1624 CB MET A 300 4940 4396 4071 -686 -148 47 C ATOM 1625 CG MET A 300 14.763 17.954 1.654 1.00 49.21 C ANISOU 1625 CG MET A 300 6762 5944 5992 -601 -77 -9 C ATOM 1626 SD MET A 300 14.524 16.882 0.229 1.00 60.55 S ANISOU 1626 SD MET A 300 8124 7331 7551 -505 -31 12 S ATOM 1627 CE MET A 300 14.922 18.006 -1.111 1.00 39.92 C ANISOU 1627 CE MET A 300 5517 4725 4926 -657 -141 -13 C ATOM 1628 H MET A 300 16.741 18.439 4.207 1.00 39.33 H ATOM 1629 HA MET A 300 16.530 16.408 2.583 1.00 38.02 H ATOM 1630 HB2 MET A 300 16.263 19.144 2.331 1.00 42.34 H ATOM 1631 HB3 MET A 300 16.630 18.390 0.983 1.00 42.34 H ATOM 1632 HG2 MET A 300 14.431 17.493 2.440 1.00 59.06 H ATOM 1633 HG3 MET A 300 14.260 18.771 1.507 1.00 59.06 H ATOM 1634 HE1 MET A 300 14.828 17.536 -1.955 1.00 47.90 H ATOM 1635 HE2 MET A 300 14.312 18.760 -1.082 1.00 47.90 H ATOM 1636 HE3 MET A 300 15.835 18.314 -1.003 1.00 47.90 H ATOM 1637 N PRO A 301 18.715 15.998 1.401 1.00 24.43 N ANISOU 1637 N PRO A 301 3293 3432 2558 -547 -100 244 N ATOM 1638 CA PRO A 301 20.012 15.907 0.721 1.00 24.60 C ANISOU 1638 CA PRO A 301 3216 3635 2495 -593 -150 305 C ATOM 1639 C PRO A 301 20.132 16.948 -0.380 1.00 29.20 C ANISOU 1639 C PRO A 301 3817 4195 3082 -721 -235 273 C ATOM 1640 O PRO A 301 19.139 17.367 -0.982 1.00 27.70 O ANISOU 1640 O PRO A 301 3694 3835 2995 -739 -237 209 O ATOM 1641 CB PRO A 301 20.018 14.485 0.146 1.00 25.10 C ANISOU 1641 CB PRO A 301 3192 3716 2630 -450 -73 345 C ATOM 1642 CG PRO A 301 19.009 13.745 0.931 1.00 40.14 C ANISOU 1642 CG PRO A 301 5136 5497 4618 -328 16 328 C ATOM 1643 CD PRO A 301 17.955 14.741 1.289 1.00 27.20 C ANISOU 1643 CD PRO A 301 3619 3690 3025 -390 0 250 C ATOM 1644 HA PRO A 301 20.741 16.009 1.353 1.00 29.52 H ATOM 1645 HB2 PRO A 301 19.771 14.511 -0.792 1.00 30.12 H ATOM 1646 HB3 PRO A 301 20.897 14.090 0.258 1.00 30.12 H ATOM 1647 HG2 PRO A 301 18.634 13.033 0.389 1.00 48.17 H ATOM 1648 HG3 PRO A 301 19.422 13.383 1.730 1.00 48.17 H ATOM 1649 HD2 PRO A 301 17.294 14.805 0.582 1.00 32.63 H ATOM 1650 HD3 PRO A 301 17.549 14.514 2.140 1.00 32.63 H ATOM 1651 N LYS A 302 21.369 17.360 -0.644 1.00 25.87 N ANISOU 1651 N LYS A 302 3333 3947 2548 -813 -306 322 N ATOM 1652 CA LYS A 302 21.656 18.351 -1.668 1.00 26.45 C ANISOU 1652 CA LYS A 302 3412 4028 2611 -943 -392 307 C ATOM 1653 C LYS A 302 22.052 17.672 -2.971 1.00 25.59 C ANISOU 1653 C LYS A 302 3212 3979 2534 -901 -377 342 C ATOM 1654 O LYS A 302 22.814 16.700 -2.973 1.00 28.42 O ANISOU 1654 O LYS A 302 3473 4474 2852 -821 -339 404 O ATOM 1655 CB LYS A 302 22.773 19.292 -1.222 1.00 29.32 C ANISOU 1655 CB LYS A 302 3762 4545 2835 -1079 -486 342 C ATOM 1656 CG LYS A 302 22.292 20.484 -0.410 1.00 50.94 C ANISOU 1656 CG LYS A 302 6611 7191 5554 -1178 -542 283 C ATOM 1657 CD LYS A 302 23.157 21.724 -0.617 1.00 55.16 C ANISOU 1657 CD LYS A 302 7143 7819 5995 -1346 -661 297 C ATOM 1658 CE LYS A 302 23.134 22.211 -2.065 1.00 46.60 C ANISOU 1658 CE LYS A 302 6043 6701 4961 -1422 -710 290 C ATOM 1659 NZ LYS A 302 23.807 23.528 -2.237 1.00 57.78 N ANISOU 1659 NZ LYS A 302 7470 8179 6302 -1593 -831 297 N ATOM 1660 H LYS A 302 22.069 17.072 -0.235 1.00 31.04 H ATOM 1661 HA LYS A 302 20.860 18.881 -1.832 1.00 31.74 H ATOM 1662 HB2 LYS A 302 23.399 18.794 -0.674 1.00 35.19 H ATOM 1663 HB3 LYS A 302 23.226 19.633 -2.009 1.00 35.19 H ATOM 1664 HG2 LYS A 302 21.385 20.702 -0.677 1.00 61.13 H ATOM 1665 HG3 LYS A 302 22.315 20.255 0.532 1.00 61.13 H ATOM 1666 HD2 LYS A 302 22.825 22.439 -0.052 1.00 66.19 H ATOM 1667 HD3 LYS A 302 24.074 21.513 -0.384 1.00 66.19 H ATOM 1668 HE2 LYS A 302 23.592 21.564 -2.624 1.00 55.92 H ATOM 1669 HE3 LYS A 302 22.212 22.305 -2.353 1.00 55.92 H ATOM 1670 HZ1 LYS A 302 23.774 23.778 -3.090 1.00 69.33 H ATOM 1671 HZ2 LYS A 302 23.402 24.144 -1.739 1.00 69.33 H ATOM 1672 HZ3 LYS A 302 24.659 23.469 -1.986 1.00 69.33 H ATOM 1673 N GLY A 303 21.540 18.202 -4.079 1.00 26.81 N ANISOU 1673 N GLY A 303 3397 4030 2760 -955 -410 300 N ATOM 1674 CA GLY A 303 21.861 17.676 -5.388 1.00 26.59 C ANISOU 1674 CA GLY A 303 3292 4052 2761 -923 -402 325 C ATOM 1675 C GLY A 303 21.212 16.322 -5.635 1.00 24.61 C ANISOU 1675 C GLY A 303 3012 3724 2615 -754 -302 318 C ATOM 1676 O GLY A 303 20.260 15.914 -4.964 1.00 27.96 O ANISOU 1676 O GLY A 303 3493 4013 3117 -670 -242 283 O ATOM 1677 H GLY A 303 21.001 18.872 -4.092 1.00 32.17 H ATOM 1678 HA2 GLY A 303 21.554 18.294 -6.070 1.00 31.91 H ATOM 1679 HA3 GLY A 303 22.822 17.578 -5.472 1.00 31.91 H ATOM 1680 N MET A 304 21.754 15.622 -6.628 1.00 29.63 N ANISOU 1680 N MET A 304 3556 4450 3251 -704 -288 353 N ATOM 1681 CA MET A 304 21.268 14.290 -6.963 1.00 33.44 C ANISOU 1681 CA MET A 304 3999 4876 3831 -542 -201 351 C ATOM 1682 C MET A 304 21.399 13.364 -5.762 1.00 25.03 C ANISOU 1682 C MET A 304 2906 3856 2749 -433 -135 386 C ATOM 1683 O MET A 304 22.401 13.388 -5.044 1.00 26.49 O ANISOU 1683 O MET A 304 3043 4204 2819 -463 -153 441 O ATOM 1684 CB MET A 304 22.052 13.724 -8.149 1.00 32.43 C ANISOU 1684 CB MET A 304 3767 4874 3682 -513 -204 389 C ATOM 1685 CG MET A 304 21.951 14.558 -9.416 1.00 45.25 C ANISOU 1685 CG MET A 304 5410 6463 5320 -614 -266 361 C ATOM 1686 SD MET A 304 20.534 14.114 -10.438 1.00 61.92 S ANISOU 1686 SD MET A 304 7575 8349 7603 -527 -223 288 S ATOM 1687 CE MET A 304 20.559 15.439 -11.644 1.00 53.63 C ANISOU 1687 CE MET A 304 6561 7280 6537 -689 -318 264 C ATOM 1688 H MET A 304 22.403 15.896 -7.122 1.00 35.55 H ATOM 1689 HA MET A 304 20.334 14.348 -7.219 1.00 40.13 H ATOM 1690 HB2 MET A 304 22.989 13.669 -7.905 1.00 38.92 H ATOM 1691 HB3 MET A 304 21.713 12.838 -8.351 1.00 38.92 H ATOM 1692 HG2 MET A 304 21.864 15.493 -9.173 1.00 54.30 H ATOM 1693 HG3 MET A 304 22.754 14.427 -9.945 1.00 54.30 H ATOM 1694 HE1 MET A 304 19.826 15.312 -12.267 1.00 64.36 H ATOM 1695 HE2 MET A 304 20.458 16.287 -11.184 1.00 64.36 H ATOM 1696 HE3 MET A 304 21.404 15.418 -12.119 1.00 64.36 H ATOM 1697 N TRP A 305 20.376 12.541 -5.545 1.00 23.49 N ANISOU 1697 N TRP A 305 2740 3513 2671 -308 -59 356 N ATOM 1698 CA TRP A 305 20.334 11.633 -4.407 1.00 21.81 C ANISOU 1698 CA TRP A 305 2507 3319 2459 -198 8 388 C ATOM 1699 C TRP A 305 20.011 10.229 -4.889 1.00 22.76 C ANISOU 1699 C TRP A 305 2567 3401 2682 -37 83 399 C ATOM 1700 O TRP A 305 19.077 10.038 -5.674 1.00 22.43 O ANISOU 1700 O TRP A 305 2558 3204 2762 8 104 349 O ATOM 1701 CB TRP A 305 19.294 12.085 -3.380 1.00 25.24 C ANISOU 1701 CB TRP A 305 3052 3601 2939 -205 29 342 C ATOM 1702 CG TRP A 305 19.182 11.166 -2.207 1.00 21.82 C ANISOU 1702 CG TRP A 305 2601 3181 2508 -92 101 377 C ATOM 1703 CD1 TRP A 305 20.020 11.100 -1.133 1.00 22.54 C ANISOU 1703 CD1 TRP A 305 2661 3420 2483 -104 97 431 C ATOM 1704 CD2 TRP A 305 18.172 10.176 -1.989 1.00 21.31 C ANISOU 1704 CD2 TRP A 305 2550 2977 2572 48 186 363 C ATOM 1705 NE1 TRP A 305 19.593 10.131 -0.259 1.00 23.24 N ANISOU 1705 NE1 TRP A 305 2743 3472 2616 21 175 453 N ATOM 1706 CE2 TRP A 305 18.460 9.549 -0.762 1.00 21.90 C ANISOU 1706 CE2 TRP A 305 2598 3126 2597 115 231 414 C ATOM 1707 CE3 TRP A 305 17.051 9.760 -2.714 1.00 22.69 C ANISOU 1707 CE3 TRP A 305 2754 2970 2899 122 225 316 C ATOM 1708 CZ2 TRP A 305 17.668 8.525 -0.244 1.00 22.50 C ANISOU 1708 CZ2 TRP A 305 2675 3102 2772 252 315 421 C ATOM 1709 CZ3 TRP A 305 16.268 8.746 -2.199 1.00 23.65 C ANISOU 1709 CZ3 TRP A 305 2876 2989 3121 258 307 322 C ATOM 1710 CH2 TRP A 305 16.578 8.140 -0.976 1.00 24.13 C ANISOU 1710 CH2 TRP A 305 2908 3129 3130 322 352 376 C ATOM 1711 H TRP A 305 19.683 12.492 -6.052 1.00 28.18 H ATOM 1712 HA TRP A 305 21.203 11.617 -3.976 1.00 26.17 H ATOM 1713 HB2 TRP A 305 19.540 12.963 -3.048 1.00 30.29 H ATOM 1714 HB3 TRP A 305 18.425 12.127 -3.810 1.00 30.29 H ATOM 1715 HD1 TRP A 305 20.771 11.636 -1.009 1.00 27.05 H ATOM 1716 HE1 TRP A 305 19.975 9.923 0.483 1.00 27.89 H ATOM 1717 HE3 TRP A 305 16.839 10.158 -3.528 1.00 27.23 H ATOM 1718 HZ2 TRP A 305 17.871 8.121 0.569 1.00 27.00 H ATOM 1719 HZ3 TRP A 305 15.519 8.461 -2.672 1.00 28.38 H ATOM 1720 HH2 TRP A 305 16.032 7.460 -0.653 1.00 28.95 H ATOM 1721 N ILE A 306 20.776 9.250 -4.410 1.00 27.34 N ANISOU 1721 N ILE A 306 3057 4116 3215 49 120 462 N ATOM 1722 CA ILE A 306 20.559 7.849 -4.743 1.00 26.14 C ANISOU 1722 CA ILE A 306 2839 3938 3155 208 189 478 C ATOM 1723 C ILE A 306 20.289 7.083 -3.455 1.00 24.46 C ANISOU 1723 C ILE A 306 2627 3706 2961 306 252 510 C ATOM 1724 O ILE A 306 20.921 7.333 -2.421 1.00 27.93 O ANISOU 1724 O ILE A 306 3061 4258 3294 264 240 551 O ATOM 1725 CB ILE A 306 21.749 7.247 -5.520 1.00 35.38 C ANISOU 1725 CB ILE A 306 3887 5290 4265 236 176 528 C ATOM 1726 CG1 ILE A 306 23.054 7.398 -4.736 1.00 38.53 C ANISOU 1726 CG1 ILE A 306 4225 5902 4513 183 147 598 C ATOM 1727 CG2 ILE A 306 21.877 7.932 -6.876 1.00 38.23 C ANISOU 1727 CG2 ILE A 306 4250 5654 4622 152 121 495 C ATOM 1728 CD1 ILE A 306 24.189 6.560 -5.297 1.00 47.86 C ANISOU 1728 CD1 ILE A 306 5276 7261 5646 241 152 654 C ATOM 1729 H ILE A 306 21.441 9.378 -3.879 1.00 32.81 H ATOM 1730 HA ILE A 306 19.770 7.778 -5.303 1.00 31.37 H ATOM 1731 HB ILE A 306 21.580 6.303 -5.664 1.00 42.45 H ATOM 1732 HG12 ILE A 306 23.329 8.327 -4.759 1.00 46.24 H ATOM 1733 HG13 ILE A 306 22.904 7.120 -3.819 1.00 46.24 H ATOM 1734 HG21 ILE A 306 22.627 7.546 -7.355 1.00 45.88 H ATOM 1735 HG22 ILE A 306 21.058 7.794 -7.377 1.00 45.88 H ATOM 1736 HG23 ILE A 306 22.025 8.881 -6.738 1.00 45.88 H ATOM 1737 HD11 ILE A 306 24.982 6.702 -4.756 1.00 57.43 H ATOM 1738 HD12 ILE A 306 23.933 5.625 -5.272 1.00 57.43 H ATOM 1739 HD13 ILE A 306 24.359 6.833 -6.212 1.00 57.43 H ATOM 1740 N CYS A 307 19.347 6.145 -3.527 1.00 24.14 N ANISOU 1740 N CYS A 307 2592 3524 3057 435 319 492 N ATOM 1741 CA CYS A 307 18.782 5.510 -2.348 1.00 22.94 C ANISOU 1741 CA CYS A 307 2460 3307 2948 525 383 513 C ATOM 1742 C CYS A 307 19.694 4.402 -1.828 1.00 22.95 C ANISOU 1742 C CYS A 307 2356 3464 2901 619 415 591 C ATOM 1743 O CYS A 307 20.726 4.070 -2.417 1.00 25.08 O ANISOU 1743 O CYS A 307 2534 3884 3111 622 391 627 O ATOM 1744 CB CYS A 307 17.399 4.952 -2.665 1.00 26.11 C ANISOU 1744 CB CYS A 307 2907 3491 3523 625 438 467 C ATOM 1745 SG CYS A 307 17.409 3.457 -3.687 1.00 24.54 S ANISOU 1745 SG CYS A 307 2607 3277 3438 781 479 482 S ATOM 1746 H CYS A 307 19.014 5.856 -4.266 1.00 28.97 H ATOM 1747 HA CYS A 307 18.686 6.174 -1.646 1.00 27.52 H ATOM 1748 HB2 CYS A 307 16.954 4.734 -1.831 1.00 31.33 H ATOM 1749 HB3 CYS A 307 16.892 5.629 -3.139 1.00 31.33 H ATOM 1750 N GLN A 308 19.278 3.804 -0.709 1.00 25.38 N ANISOU 1750 N GLN A 308 2738 3881 3025 -108 -394 73 N ATOM 1751 CA GLN A 308 20.065 2.762 -0.062 1.00 26.84 C ANISOU 1751 CA GLN A 308 2719 4350 3131 68 -534 154 C ATOM 1752 C GLN A 308 20.138 1.488 -0.894 1.00 27.18 C ANISOU 1752 C GLN A 308 2782 4324 3220 544 -687 178 C ATOM 1753 O GLN A 308 21.086 0.712 -0.730 1.00 30.72 O ANISOU 1753 O GLN A 308 3026 5081 3565 731 -771 240 O ATOM 1754 CB GLN A 308 19.479 2.459 1.320 1.00 26.11 C ANISOU 1754 CB GLN A 308 2651 4150 3122 -84 -626 197 C ATOM 1755 CG GLN A 308 18.073 1.874 1.291 1.00 24.08 C ANISOU 1755 CG GLN A 308 2660 3398 3091 67 -743 183 C ATOM 1756 CD GLN A 308 17.323 2.089 2.594 1.00 26.01 C ANISOU 1756 CD GLN A 308 2972 3486 3423 -211 -764 196 C ATOM 1757 OE1 GLN A 308 17.072 3.225 2.998 1.00 36.11 O ANISOU 1757 OE1 GLN A 308 4290 4737 4692 -584 -619 156 O ATOM 1758 NE2 GLN A 308 16.968 0.996 3.260 1.00 34.84 N ANISOU 1758 NE2 GLN A 308 4105 4504 4629 -33 -942 253 N ATOM 1759 H GLN A 308 18.541 3.988 -0.306 1.00 30.46 H ATOM 1760 HA GLN A 308 20.970 3.087 0.064 1.00 32.21 H ATOM 1761 HB2 GLN A 308 20.055 1.820 1.768 1.00 31.34 H ATOM 1762 HB3 GLN A 308 19.445 3.283 1.831 1.00 31.34 H ATOM 1763 HG2 GLN A 308 17.568 2.300 0.581 1.00 28.90 H ATOM 1764 HG3 GLN A 308 18.131 0.919 1.132 1.00 28.90 H ATOM 1765 HE21 GLN A 308 17.165 0.219 2.949 1.00 41.81 H ATOM 1766 HE22 GLN A 308 16.542 1.066 4.004 1.00 41.81 H ATOM 1767 N ILE A 309 19.170 1.255 -1.781 1.00 25.70 N ANISOU 1767 N ILE A 309 2835 3742 3187 742 -723 132 N ATOM 1768 CA ILE A 309 19.224 0.085 -2.651 1.00 26.01 C ANISOU 1768 CA ILE A 309 2904 3706 3271 1191 -856 146 C ATOM 1769 C ILE A 309 20.242 0.293 -3.763 1.00 32.06 C ANISOU 1769 C ILE A 309 3546 4745 3892 1322 -770 125 C ATOM 1770 O ILE A 309 20.925 -0.649 -4.179 1.00 35.21 O ANISOU 1770 O ILE A 309 3828 5314 4237 1643 -864 161 O ATOM 1771 CB ILE A 309 17.826 -0.219 -3.223 1.00 29.33 C ANISOU 1771 CB ILE A 309 3627 3613 3904 1349 -922 103 C ATOM 1772 CG1 ILE A 309 16.832 -0.488 -2.091 1.00 38.39 C ANISOU 1772 CG1 ILE A 309 4894 4496 5199 1231 -1016 127 C ATOM 1773 CG2 ILE A 309 17.890 -1.405 -4.180 1.00 39.52 C ANISOU 1773 CG2 ILE A 309 4944 4850 5223 1535 -889 117 C ATOM 1774 CD1 ILE A 309 15.398 -0.684 -2.559 1.00 43.34 C ANISOU 1774 CD1 ILE A 309 5751 4778 5938 1087 -854 81 C ATOM 1775 H ILE A 309 18.479 1.754 -1.896 1.00 30.84 H ATOM 1776 HA ILE A 309 19.505 -0.682 -2.129 1.00 31.21 H ATOM 1777 HB ILE A 309 17.523 0.558 -3.718 1.00 35.20 H ATOM 1778 HG12 ILE A 309 17.103 -1.294 -1.623 1.00 46.07 H ATOM 1779 HG13 ILE A 309 16.843 0.265 -1.480 1.00 46.07 H ATOM 1780 HG21 ILE A 309 17.001 -1.578 -4.527 1.00 47.43 H ATOM 1781 HG22 ILE A 309 18.494 -1.190 -4.908 1.00 47.43 H ATOM 1782 HG23 ILE A 309 18.215 -2.182 -3.698 1.00 47.43 H ATOM 1783 HD11 ILE A 309 14.834 -0.848 -1.787 1.00 52.01 H ATOM 1784 HD12 ILE A 309 15.104 0.118 -3.018 1.00 52.01 H ATOM 1785 HD13 ILE A 309 15.364 -1.442 -3.162 1.00 52.01 H ATOM 1786 N CYS A 310 20.361 1.523 -4.259 1.00 29.06 N ANISOU 1786 N CYS A 310 3187 4408 3447 1077 -589 66 N ATOM 1787 CA CYS A 310 21.168 1.795 -5.440 1.00 30.19 C ANISOU 1787 CA CYS A 310 3251 4750 3470 1199 -499 35 C ATOM 1788 C CYS A 310 22.632 2.065 -5.121 1.00 38.57 C ANISOU 1788 C CYS A 310 4012 6330 4312 1091 -429 72 C ATOM 1789 O CYS A 310 23.495 1.780 -5.958 1.00 47.42 O ANISOU 1789 O CYS A 310 5015 7674 5327 1307 -419 73 O ATOM 1790 CB CYS A 310 20.584 2.986 -6.204 1.00 45.31 C ANISOU 1790 CB CYS A 310 5337 6454 5423 1000 -337 -45 C ATOM 1791 SG CYS A 310 19.022 2.629 -7.038 1.00 26.72 S ANISOU 1791 SG CYS A 310 3329 3518 3306 1209 -411 -94 S ATOM 1792 H CYS A 310 19.981 2.219 -3.926 1.00 34.87 H ATOM 1793 HA CYS A 310 21.132 1.022 -6.025 1.00 36.23 H ATOM 1794 HB2 CYS A 310 20.427 3.711 -5.579 1.00 54.37 H ATOM 1795 HB3 CYS A 310 21.222 3.267 -6.878 1.00 54.37 H ATOM 1796 N ARG A 311 22.948 2.594 -3.941 1.00 33.92 N ANISOU 1796 N ARG A 311 3295 5943 3651 766 -380 102 N ATOM 1797 CA ARG A 311 24.342 2.953 -3.717 1.00 38.67 C ANISOU 1797 CA ARG A 311 3615 7040 4038 646 -298 133 C ATOM 1798 C ARG A 311 25.163 1.704 -3.390 1.00 45.23 C ANISOU 1798 C ARG A 311 4249 8133 4805 933 -452 216 C ATOM 1799 O ARG A 311 24.695 0.825 -2.660 1.00 54.54 O ANISOU 1799 O ARG A 311 5460 9179 6083 1046 -603 265 O ATOM 1800 CB ARG A 311 24.469 3.978 -2.591 1.00 47.16 C ANISOU 1800 CB ARG A 311 4608 8267 5043 191 -185 135 C ATOM 1801 CG ARG A 311 23.971 3.524 -1.232 1.00 45.09 C ANISOU 1801 CG ARG A 311 4352 7922 4859 86 -296 188 C ATOM 1802 CD ARG A 311 24.231 4.607 -0.191 1.00 47.78 C ANISOU 1802 CD ARG A 311 4591 8457 5106 -375 -166 186 C ATOM 1803 NE ARG A 311 24.283 4.080 1.172 1.00 45.83 N ANISOU 1803 NE ARG A 311 4241 8314 4857 -462 -273 257 N ATOM 1804 CZ ARG A 311 23.310 4.182 2.075 1.00 48.07 C ANISOU 1804 CZ ARG A 311 4661 8337 5267 -649 -306 255 C ATOM 1805 NH1 ARG A 311 22.173 4.800 1.789 1.00 47.82 N ANISOU 1805 NH1 ARG A 311 4878 7911 5380 -772 -240 187 N ATOM 1806 NH2 ARG A 311 23.481 3.662 3.282 1.00 59.17 N ANISOU 1806 NH2 ARG A 311 5949 9880 6654 -713 -406 325 N ATOM 1807 H ARG A 311 22.407 2.748 -3.290 1.00 40.71 H ATOM 1808 HA ARG A 311 24.702 3.348 -4.526 1.00 46.40 H ATOM 1809 HB2 ARG A 311 25.406 4.211 -2.493 1.00 56.59 H ATOM 1810 HB3 ARG A 311 23.963 4.768 -2.836 1.00 56.59 H ATOM 1811 HG2 ARG A 311 23.016 3.360 -1.274 1.00 54.11 H ATOM 1812 HG3 ARG A 311 24.443 2.720 -0.965 1.00 54.11 H ATOM 1813 HD2 ARG A 311 25.083 5.030 -0.381 1.00 57.33 H ATOM 1814 HD3 ARG A 311 23.518 5.263 -0.232 1.00 57.33 H ATOM 1815 HE ARG A 311 25.000 3.670 1.410 1.00 54.99 H ATOM 1816 HH11 ARG A 311 22.054 5.141 1.009 1.00 57.38 H ATOM 1817 HH12 ARG A 311 21.554 4.858 2.383 1.00 57.38 H ATOM 1818 HH21 ARG A 311 24.216 3.259 3.476 1.00 71.01 H ATOM 1819 HH22 ARG A 311 22.857 3.724 3.870 1.00 71.01 H ATOM 1820 N PRO A 312 26.396 1.595 -3.919 1.00 59.24 N ANISOU 1820 N PRO A 312 5813 10281 6415 1058 -416 235 N ATOM 1821 CA PRO A 312 27.240 0.405 -3.739 1.00 66.95 C ANISOU 1821 CA PRO A 312 6594 11516 7328 1355 -554 314 C ATOM 1822 C PRO A 312 27.783 0.264 -2.322 1.00 70.04 C ANISOU 1822 C PRO A 312 6782 12191 7638 1168 -599 395 C ATOM 1823 O PRO A 312 27.745 1.239 -1.574 1.00 69.28 O ANISOU 1823 O PRO A 312 6660 12171 7493 784 -493 382 O ATOM 1824 CB PRO A 312 28.381 0.634 -4.736 1.00 69.50 C ANISOU 1824 CB PRO A 312 6760 12157 7489 1464 -461 298 C ATOM 1825 CG PRO A 312 28.482 2.115 -4.853 1.00 68.46 C ANISOU 1825 CG PRO A 312 6637 12100 7274 1088 -261 237 C ATOM 1826 CD PRO A 312 27.076 2.633 -4.714 1.00 67.53 C ANISOU 1826 CD PRO A 312 6795 11535 7328 915 -237 182 C ATOM 1827 HA PRO A 312 26.753 -0.397 -3.983 1.00 80.34 H ATOM 1828 HB2 PRO A 312 29.204 0.259 -4.386 1.00 83.40 H ATOM 1829 HB3 PRO A 312 28.156 0.235 -5.591 1.00 83.40 H ATOM 1830 HG2 PRO A 312 29.044 2.460 -4.141 1.00 82.15 H ATOM 1831 HG3 PRO A 312 28.847 2.349 -5.720 1.00 82.15 H ATOM 1832 HD2 PRO A 312 27.073 3.478 -4.239 1.00 81.03 H ATOM 1833 HD3 PRO A 312 26.660 2.715 -5.587 1.00 81.03 H TER 1834 PRO A 312 ATOM 1835 N ALA B 1 17.877 17.271 -3.773 1.00 40.90 N ANISOU 1835 N ALA B 1 5412 4112 6019 -559 -415 647 N ATOM 1836 CA ALA B 1 17.127 16.013 -4.031 1.00 31.05 C ANISOU 1836 CA ALA B 1 4098 3048 4654 -570 -303 648 C ATOM 1837 C ALA B 1 15.732 16.291 -4.574 1.00 26.37 C ANISOU 1837 C ALA B 1 3469 2479 4071 -436 -347 526 C ATOM 1838 O ALA B 1 15.190 17.386 -4.430 1.00 31.76 O ANISOU 1838 O ALA B 1 4154 3079 4834 -333 -453 392 O ATOM 1839 CB ALA B 1 17.032 15.181 -2.760 1.00 32.93 C ANISOU 1839 CB ALA B 1 4251 3480 4779 -641 -207 549 C ATOM 1840 H1 ALA B 1 18.580 17.315 -4.317 1.00 49.09 H ATOM 1841 H2 ALA B 1 17.345 17.969 -3.919 1.00 49.09 H ATOM 1842 H3 ALA B 1 18.155 17.283 -2.928 1.00 49.09 H ATOM 1843 HA ALA B 1 17.607 15.492 -4.694 1.00 37.27 H ATOM 1844 HB1 ALA B 1 16.540 14.367 -2.953 1.00 39.51 H ATOM 1845 HB2 ALA B 1 17.928 14.963 -2.459 1.00 39.51 H ATOM 1846 HB3 ALA B 1 16.569 15.695 -2.080 1.00 39.51 H ATOM 1847 N ARG B 2 15.169 15.269 -5.207 1.00 23.97 N ANISOU 1847 N ARG B 2 3132 2291 3687 -440 -263 575 N ATOM 1848 CA ARG B 2 13.817 15.309 -5.736 1.00 23.71 C ANISOU 1848 CA ARG B 2 3054 2308 3645 -324 -285 467 C ATOM 1849 C ARG B 2 12.853 14.801 -4.672 1.00 22.53 C ANISOU 1849 C ARG B 2 2794 2363 3405 -307 -226 270 C ATOM 1850 O ARG B 2 13.102 13.763 -4.053 1.00 22.56 O ANISOU 1850 O ARG B 2 2751 2516 3306 -404 -115 290 O ATOM 1851 CB ARG B 2 13.741 14.440 -6.991 1.00 32.51 C ANISOU 1851 CB ARG B 2 4192 3442 4719 -341 -223 629 C ATOM 1852 CG ARG B 2 12.845 14.931 -8.108 1.00 35.48 C ANISOU 1852 CG ARG B 2 4588 3743 5151 -219 -296 612 C ATOM 1853 CD ARG B 2 13.337 14.357 -9.433 1.00 22.84 C ANISOU 1853 CD ARG B 2 3052 2082 3543 -259 -258 833 C ATOM 1854 NE ARG B 2 13.905 13.022 -9.260 1.00 22.86 N ANISOU 1854 NE ARG B 2 3032 2215 3438 -385 -123 945 N ATOM 1855 CZ ARG B 2 13.264 11.875 -9.468 1.00 29.95 C ANISOU 1855 CZ ARG B 2 3871 3276 4234 -400 -25 945 C ATOM 1856 NH1 ARG B 2 12.008 11.862 -9.884 1.00 24.76 N ANISOU 1856 NH1 ARG B 2 3167 2676 3563 -299 -44 839 N ATOM 1857 NH2 ARG B 2 13.897 10.728 -9.264 1.00 28.30 N ANISOU 1857 NH2 ARG B 2 3647 3169 3935 -520 91 1053 N ATOM 1858 H ARG B 2 15.566 14.519 -5.344 1.00 28.77 H ATOM 1859 HA ARG B 2 13.578 16.221 -5.969 1.00 28.45 H ATOM 1860 HB2 ARG B 2 14.636 14.358 -7.357 1.00 39.01 H ATOM 1861 HB3 ARG B 2 13.420 13.562 -6.731 1.00 39.01 H ATOM 1862 HG2 ARG B 2 11.936 14.628 -7.956 1.00 42.58 H ATOM 1863 HG3 ARG B 2 12.881 15.899 -8.156 1.00 42.58 H ATOM 1864 HD2 ARG B 2 12.592 14.292 -10.051 1.00 27.40 H ATOM 1865 HD3 ARG B 2 14.026 14.935 -9.797 1.00 27.40 H ATOM 1866 HE ARG B 2 14.724 12.974 -9.001 1.00 27.43 H ATOM 1867 HH11 ARG B 2 11.591 12.602 -10.017 1.00 29.71 H ATOM 1868 HH12 ARG B 2 11.607 11.113 -10.017 1.00 29.71 H ATOM 1869 HH21 ARG B 2 14.715 10.729 -8.997 1.00 33.95 H ATOM 1870 HH22 ARG B 2 13.491 9.982 -9.402 1.00 33.95 H ATOM 1871 N THR B 3 11.776 15.544 -4.440 1.00 23.32 N ANISOU 1871 N THR B 3 2850 2468 3542 -187 -300 80 N ATOM 1872 CA THR B 3 10.686 15.076 -3.598 1.00 23.54 C ANISOU 1872 CA THR B 3 2770 2691 3485 -154 -247 -112 C ATOM 1873 C THR B 3 9.412 14.988 -4.424 1.00 23.81 C ANISOU 1873 C THR B 3 2767 2765 3515 -45 -262 -176 C ATOM 1874 O THR B 3 9.342 15.466 -5.559 1.00 25.29 O ANISOU 1874 O THR B 3 3015 2817 3777 18 -330 -93 O ATOM 1875 CB THR B 3 10.447 15.999 -2.393 1.00 26.58 C ANISOU 1875 CB THR B 3 3119 3073 3908 -107 -314 -313 C ATOM 1876 OG1 THR B 3 9.981 17.275 -2.845 1.00 27.62 O ANISOU 1876 OG1 THR B 3 3285 3052 4158 20 -449 -390 O ATOM 1877 CG2 THR B 3 11.710 16.176 -1.583 1.00 28.74 C ANISOU 1877 CG2 THR B 3 3433 3295 4194 -210 -310 -254 C ATOM 1878 H THR B 3 11.653 16.331 -4.764 1.00 27.98 H ATOM 1879 HA THR B 3 10.895 14.190 -3.265 1.00 28.25 H ATOM 1880 HB THR B 3 9.774 15.601 -1.818 1.00 31.90 H ATOM 1881 HG1 THR B 3 9.849 17.782 -2.188 1.00 33.15 H ATOM 1882 HG21 THR B 3 11.540 16.761 -0.828 1.00 34.49 H ATOM 1883 HG22 THR B 3 12.016 15.317 -1.253 1.00 34.49 H ATOM 1884 HG23 THR B 3 12.405 16.568 -2.134 1.00 34.49 H ATOM 1885 N LYS B 4 8.391 14.370 -3.830 1.00 23.83 N ANISOU 1885 N LYS B 4 2667 2958 3430 -22 -197 -327 N ATOM 1886 CA LYS B 4 7.091 14.324 -4.485 1.00 24.21 C ANISOU 1886 CA LYS B 4 2668 3056 3474 88 -215 -414 C ATOM 1887 C LYS B 4 6.630 15.727 -4.848 1.00 25.64 C ANISOU 1887 C LYS B 4 2883 3077 3780 222 -361 -507 C ATOM 1888 O LYS B 4 6.137 15.966 -5.956 1.00 25.83 O ANISOU 1888 O LYS B 4 2936 3025 3851 302 -412 -465 O ATOM 1889 CB LYS B 4 6.074 13.634 -3.575 1.00 24.26 C ANISOU 1889 CB LYS B 4 2555 3285 3377 95 -135 -593 C ATOM 1890 CG LYS B 4 4.715 13.420 -4.214 1.00 29.45 C ANISOU 1890 CG LYS B 4 3153 4018 4017 198 -137 -681 C ATOM 1891 CD LYS B 4 3.795 12.568 -3.347 1.00 32.93 C ANISOU 1891 CD LYS B 4 3475 4692 4344 186 -41 -834 C ATOM 1892 CE LYS B 4 4.355 11.165 -3.134 1.00 32.91 C ANISOU 1892 CE LYS B 4 3455 4826 4223 46 100 -711 C ATOM 1893 NZ LYS B 4 3.294 10.111 -3.183 1.00 25.13 N ANISOU 1893 NZ LYS B 4 2376 4035 3136 52 193 -777 N ATOM 1894 H LYS B 4 8.424 13.980 -3.064 1.00 28.60 H ATOM 1895 HA LYS B 4 7.164 13.808 -5.303 1.00 29.05 H ATOM 1896 HB2 LYS B 4 6.422 12.764 -3.322 1.00 29.11 H ATOM 1897 HB3 LYS B 4 5.945 14.179 -2.783 1.00 29.11 H ATOM 1898 HG2 LYS B 4 4.289 14.281 -4.350 1.00 35.34 H ATOM 1899 HG3 LYS B 4 4.832 12.968 -5.064 1.00 35.34 H ATOM 1900 HD2 LYS B 4 3.694 12.989 -2.479 1.00 39.51 H ATOM 1901 HD3 LYS B 4 2.931 12.486 -3.782 1.00 39.51 H ATOM 1902 HE2 LYS B 4 5.002 10.973 -3.831 1.00 39.49 H ATOM 1903 HE3 LYS B 4 4.781 11.123 -2.263 1.00 39.49 H ATOM 1904 HZ1 LYS B 4 3.657 9.308 -3.055 1.00 30.15 H ATOM 1905 HZ2 LYS B 4 2.689 10.259 -2.548 1.00 30.15 H ATOM 1906 HZ3 LYS B 4 2.890 10.122 -3.976 1.00 30.15 H ATOM 1907 N GLN B 5 6.825 16.679 -3.937 1.00 26.80 N ANISOU 1907 N GLN B 5 3032 3166 3986 247 -432 -627 N ATOM 1908 CA GLN B 5 6.372 18.044 -4.167 1.00 28.66 C ANISOU 1908 CA GLN B 5 3295 3252 4341 376 -574 -731 C ATOM 1909 C GLN B 5 7.157 18.708 -5.293 1.00 28.26 C ANISOU 1909 C GLN B 5 3362 2980 4395 385 -658 -553 C ATOM 1910 O GLN B 5 6.571 19.328 -6.188 1.00 29.02 O ANISOU 1910 O GLN B 5 3487 2976 4563 491 -743 -562 O ATOM 1911 CB GLN B 5 6.496 18.837 -2.867 1.00 35.92 C ANISOU 1911 CB GLN B 5 4191 4166 5292 387 -623 -895 C ATOM 1912 CG GLN B 5 6.126 20.301 -2.964 1.00 41.51 C ANISOU 1912 CG GLN B 5 4928 4714 6128 514 -772 -1010 C ATOM 1913 CD GLN B 5 6.502 21.055 -1.710 1.00 49.13 C ANISOU 1913 CD GLN B 5 5885 5656 7127 506 -818 -1138 C ATOM 1914 OE1 GLN B 5 7.675 21.357 -1.484 1.00 56.25 O ANISOU 1914 OE1 GLN B 5 6854 6451 8065 429 -837 -1035 O ATOM 1915 NE2 GLN B 5 5.514 21.346 -0.875 1.00 63.59 N ANISOU 1915 NE2 GLN B 5 7631 7589 8942 583 -834 -1365 N ATOM 1916 H GLN B 5 7.216 16.558 -3.180 1.00 32.16 H ATOM 1917 HA GLN B 5 5.437 18.028 -4.421 1.00 34.39 H ATOM 1918 HB2 GLN B 5 5.914 18.433 -2.204 1.00 43.11 H ATOM 1919 HB3 GLN B 5 7.416 18.789 -2.564 1.00 43.11 H ATOM 1920 HG2 GLN B 5 6.596 20.701 -3.712 1.00 49.81 H ATOM 1921 HG3 GLN B 5 5.167 20.380 -3.090 1.00 49.81 H ATOM 1922 HE21 GLN B 5 4.709 21.107 -1.061 1.00 76.31 H ATOM 1923 HE22 GLN B 5 5.678 21.775 -0.147 1.00 76.31 H ATOM 1924 N THR B 6 8.487 18.595 -5.267 1.00 29.68 N ANISOU 1924 N THR B 6 3613 3081 4584 275 -636 -388 N ATOM 1925 CA THR B 6 9.293 19.275 -6.276 1.00 27.74 C ANISOU 1925 CA THR B 6 3480 2621 4440 278 -716 -219 C ATOM 1926 C THR B 6 9.193 18.582 -7.630 1.00 26.58 C ANISOU 1926 C THR B 6 3366 2466 4267 273 -675 -54 C ATOM 1927 O THR B 6 9.279 19.246 -8.670 1.00 33.27 O ANISOU 1927 O THR B 6 4289 3151 5201 331 -760 33 O ATOM 1928 CB THR B 6 10.753 19.357 -5.827 1.00 28.47 C ANISOU 1928 CB THR B 6 3634 2633 4551 160 -703 -93 C ATOM 1929 OG1 THR B 6 11.324 18.045 -5.792 1.00 34.17 O ANISOU 1929 OG1 THR B 6 4342 3477 5166 34 -569 38 O ATOM 1930 CG2 THR B 6 10.856 19.996 -4.445 1.00 44.99 C ANISOU 1930 CG2 THR B 6 5692 4742 6662 160 -739 -259 C ATOM 1931 H THR B 6 8.936 18.142 -4.690 1.00 35.62 H ATOM 1932 HA THR B 6 8.963 20.181 -6.382 1.00 33.29 H ATOM 1933 HB THR B 6 11.250 19.906 -6.454 1.00 34.17 H ATOM 1934 HG1 THR B 6 12.126 18.088 -5.546 1.00 41.01 H ATOM 1935 HG21 THR B 6 11.785 20.044 -4.171 1.00 53.99 H ATOM 1936 HG22 THR B 6 10.488 20.893 -4.467 1.00 53.99 H ATOM 1937 HG23 THR B 6 10.363 19.468 -3.798 1.00 53.99 H ATOM 1938 N ALA B 7 9.006 17.259 -7.641 1.00 25.40 N ANISOU 1938 N ALA B 7 3162 2488 3999 205 -548 -9 N ATOM 1939 CA ALA B 7 8.804 16.548 -8.899 1.00 26.03 C ANISOU 1939 CA ALA B 7 3266 2577 4047 206 -505 132 C ATOM 1940 C ALA B 7 7.503 16.974 -9.562 1.00 26.90 C ANISOU 1940 C ALA B 7 3348 2679 4192 348 -574 22 C ATOM 1941 O ALA B 7 7.436 17.109 -10.789 1.00 26.32 O ANISOU 1941 O ALA B 7 3334 2505 4160 390 -614 135 O ATOM 1942 CB ALA B 7 8.805 15.040 -8.657 1.00 28.86 C ANISOU 1942 CB ALA B 7 3564 3133 4270 106 -355 181 C ATOM 1943 H ALA B 7 8.992 16.759 -6.941 1.00 30.48 H ATOM 1944 HA ALA B 7 9.533 16.758 -9.503 1.00 31.23 H ATOM 1945 HB1 ALA B 7 8.670 14.585 -9.503 1.00 34.63 H ATOM 1946 HB2 ALA B 7 9.659 14.782 -8.276 1.00 34.63 H ATOM 1947 HB3 ALA B 7 8.088 14.818 -8.044 1.00 34.63 H ATOM 1948 N ARG B 8 6.454 17.174 -8.763 1.00 26.21 N ANISOU 1948 N ARG B 8 3171 2699 4087 422 -588 -198 N ATOM 1949 CA ARG B 8 5.194 17.670 -9.297 1.00 27.28 C ANISOU 1949 CA ARG B 8 3277 2826 4264 564 -662 -320 C ATOM 1950 C ARG B 8 5.401 18.986 -10.038 1.00 29.74 C ANISOU 1950 C ARG B 8 3680 2907 4712 650 -806 -283 C ATOM 1951 O ARG B 8 4.846 19.194 -11.124 1.00 31.27 O ANISOU 1951 O ARG B 8 3902 3036 4945 731 -858 -246 O ATOM 1952 CB ARG B 8 4.193 17.837 -8.152 1.00 35.17 C ANISOU 1952 CB ARG B 8 4168 3960 5234 625 -662 -571 C ATOM 1953 CG ARG B 8 2.740 17.895 -8.568 1.00 47.70 C ANISOU 1953 CG ARG B 8 5690 5613 6821 751 -692 -709 C ATOM 1954 CD ARG B 8 1.828 18.067 -7.357 1.00 35.72 C ANISOU 1954 CD ARG B 8 4066 4233 5275 804 -688 -957 C ATOM 1955 NE ARG B 8 1.842 16.897 -6.477 1.00 48.22 N ANISOU 1955 NE ARG B 8 5570 6023 6729 702 -550 -986 N ATOM 1956 CZ ARG B 8 2.200 16.900 -5.193 1.00 32.51 C ANISOU 1956 CZ ARG B 8 3544 4105 4706 644 -515 -1075 C ATOM 1957 NH1 ARG B 8 2.577 18.016 -4.585 1.00 43.52 N ANISOU 1957 NH1 ARG B 8 4969 5383 6184 675 -608 -1152 N ATOM 1958 NH2 ARG B 8 2.165 15.768 -4.503 1.00 39.28 N ANISOU 1958 NH2 ARG B 8 4330 5152 5441 552 -387 -1090 N ATOM 1959 H ARG B 8 6.450 17.032 -7.915 1.00 31.45 H ATOM 1960 HA ARG B 8 4.834 17.022 -9.923 1.00 32.74 H ATOM 1961 HB2 ARG B 8 4.292 17.086 -7.545 1.00 42.20 H ATOM 1962 HB3 ARG B 8 4.396 18.662 -7.684 1.00 42.20 H ATOM 1963 HG2 ARG B 8 2.606 18.652 -9.161 1.00 57.24 H ATOM 1964 HG3 ARG B 8 2.500 17.069 -9.016 1.00 57.24 H ATOM 1965 HD2 ARG B 8 2.124 18.834 -6.843 1.00 42.87 H ATOM 1966 HD3 ARG B 8 0.917 18.202 -7.663 1.00 42.87 H ATOM 1967 HE ARG B 8 1.598 16.146 -6.816 1.00 57.87 H ATOM 1968 HH11 ARG B 8 2.602 18.756 -5.021 1.00 52.23 H ATOM 1969 HH12 ARG B 8 2.803 17.998 -3.755 1.00 52.23 H ATOM 1970 HH21 ARG B 8 1.920 15.038 -4.885 1.00 47.13 H ATOM 1971 HH22 ARG B 8 2.393 15.764 -3.673 1.00 47.13 H ATOM 1972 N LYS B 9 6.223 19.875 -9.476 1.00 32.66 N ANISOU 1972 N LYS B 9 4100 3151 5157 629 -873 -285 N ATOM 1973 CA LYS B 9 6.432 21.197 -10.056 1.00 35.65 C ANISOU 1973 CA LYS B 9 4565 3310 5671 710 -1016 -262 C ATOM 1974 C LYS B 9 7.400 21.143 -11.234 1.00 33.46 C ANISOU 1974 C LYS B 9 4398 2886 5430 655 -1024 -16 C ATOM 1975 O LYS B 9 7.121 21.699 -12.303 1.00 43.94 O ANISOU 1975 O LYS B 9 5782 4087 6827 735 -1106 38 O ATOM 1976 CB LYS B 9 6.949 22.155 -8.979 1.00 39.11 C ANISOU 1976 CB LYS B 9 5014 3671 6174 705 -1083 -362 C ATOM 1977 CG LYS B 9 6.797 23.630 -9.313 1.00 55.59 C ANISOU 1977 CG LYS B 9 7161 5559 8402 818 -1241 -417 C ATOM 1978 CD LYS B 9 6.686 24.470 -8.045 1.00 55.11 C ANISOU 1978 CD LYS B 9 7063 5493 8384 854 -1301 -611 C ATOM 1979 CE LYS B 9 6.161 25.866 -8.335 1.00 57.84 C ANISOU 1979 CE LYS B 9 7442 5676 8858 992 -1457 -714 C ATOM 1980 NZ LYS B 9 5.687 26.549 -7.096 1.00 60.28 N ANISOU 1980 NZ LYS B 9 7688 6023 9192 1049 -1505 -945 N ATOM 1981 H LYS B 9 6.672 19.733 -8.756 1.00 39.19 H ATOM 1982 HA LYS B 9 5.584 21.539 -10.380 1.00 42.78 H ATOM 1983 HB2 LYS B 9 6.461 21.988 -8.157 1.00 46.93 H ATOM 1984 HB3 LYS B 9 7.893 21.981 -8.838 1.00 46.93 H ATOM 1985 HG2 LYS B 9 7.575 23.929 -9.811 1.00 66.71 H ATOM 1986 HG3 LYS B 9 5.991 23.760 -9.837 1.00 66.71 H ATOM 1987 HD2 LYS B 9 6.074 24.038 -7.428 1.00 66.13 H ATOM 1988 HD3 LYS B 9 7.564 24.555 -7.641 1.00 66.13 H ATOM 1989 HE2 LYS B 9 6.871 26.401 -8.723 1.00 69.41 H ATOM 1990 HE3 LYS B 9 5.414 25.804 -8.952 1.00 69.41 H ATOM 1991 HZ1 LYS B 9 5.385 27.363 -7.294 1.00 72.33 H ATOM 1992 HZ2 LYS B 9 5.029 26.080 -6.723 1.00 72.33 H ATOM 1993 HZ3 LYS B 9 6.356 26.623 -6.515 1.00 72.33 H ATOM 1994 N SER B 10 8.544 20.479 -11.054 1.00 32.04 N ANISOU 1994 N SER B 10 4249 2723 5203 519 -939 137 N ATOM 1995 CA SER B 10 9.549 20.426 -12.112 1.00 36.78 C ANISOU 1995 CA SER B 10 4953 3186 5836 458 -942 373 C ATOM 1996 C SER B 10 9.031 19.706 -13.350 1.00 34.64 C ANISOU 1996 C SER B 10 4690 2952 5521 483 -901 475 C ATOM 1997 O SER B 10 9.400 20.063 -14.475 1.00 40.61 O ANISOU 1997 O SER B 10 5534 3560 6337 499 -954 622 O ATOM 1998 CB SER B 10 10.815 19.741 -11.597 1.00 34.16 C ANISOU 1998 CB SER B 10 4640 2889 5452 305 -847 504 C ATOM 1999 OG SER B 10 10.544 18.417 -11.172 1.00 41.53 O ANISOU 1999 OG SER B 10 5493 4033 6255 237 -712 488 O ATOM 2000 H SER B 10 8.758 20.055 -10.337 1.00 38.45 H ATOM 2001 HA SER B 10 9.782 21.332 -12.370 1.00 44.14 H ATOM 2002 HB2 SER B 10 11.471 19.715 -12.311 1.00 41.00 H ATOM 2003 HB3 SER B 10 11.163 20.247 -10.846 1.00 41.00 H ATOM 2004 HG SER B 10 11.249 18.055 -10.892 1.00 49.84 H ATOM 2005 N THR B 11 8.184 18.693 -13.168 1.00 32.11 N ANISOU 2005 N THR B 11 4278 2825 5096 484 -809 399 N ATOM 2006 CA THR B 11 7.689 17.929 -14.308 1.00 28.58 C ANISOU 2006 CA THR B 11 3833 2425 4599 501 -764 493 C ATOM 2007 C THR B 11 6.765 18.766 -15.183 1.00 36.18 C ANISOU 2007 C THR B 11 4819 3288 5641 645 -880 435 C ATOM 2008 O THR B 11 6.810 18.667 -16.414 1.00 44.91 O ANISOU 2008 O THR B 11 5986 4316 6762 663 -895 574 O ATOM 2009 CB THR B 11 6.961 16.679 -13.817 1.00 27.55 C ANISOU 2009 CB THR B 11 3596 2531 4341 470 -642 411 C ATOM 2010 OG1 THR B 11 7.842 15.904 -12.995 1.00 28.21 O ANISOU 2010 OG1 THR B 11 3661 2705 4352 335 -537 469 O ATOM 2011 CG2 THR B 11 6.492 15.831 -14.989 1.00 27.40 C ANISOU 2011 CG2 THR B 11 3579 2563 4268 481 -591 514 C ATOM 2012 H THR B 11 7.884 18.433 -12.405 1.00 38.53 H ATOM 2013 HA THR B 11 8.441 17.646 -14.850 1.00 34.29 H ATOM 2014 HB THR B 11 6.184 16.941 -13.298 1.00 33.06 H ATOM 2015 HG1 THR B 11 8.090 16.357 -12.333 1.00 33.85 H ATOM 2016 HG21 THR B 11 6.032 15.042 -14.664 1.00 32.88 H ATOM 2017 HG22 THR B 11 5.885 16.343 -15.546 1.00 32.88 H ATOM 2018 HG23 THR B 11 7.253 15.555 -15.523 1.00 32.88 H ATOM 2019 N GLY B 12 5.925 19.591 -14.570 1.00 31.64 N ANISOU 2019 N GLY B 12 5045 3766 3210 994 -750 -58 N ATOM 2020 CA GLY B 12 4.888 20.304 -15.281 1.00 31.75 C ANISOU 2020 CA GLY B 12 4912 3767 3386 946 -815 -103 C ATOM 2021 C GLY B 12 3.529 19.645 -15.102 1.00 33.39 C ANISOU 2021 C GLY B 12 5042 3924 3722 909 -662 -124 C ATOM 2022 O GLY B 12 3.411 18.452 -14.812 1.00 29.91 O ANISOU 2022 O GLY B 12 4645 3454 3264 892 -525 -101 O ATOM 2023 H GLY B 12 5.941 19.754 -13.726 1.00 37.96 H ATOM 2024 HA2 GLY B 12 4.835 21.215 -14.952 1.00 38.10 H ATOM 2025 HA3 GLY B 12 5.098 20.327 -16.227 1.00 38.10 H ATOM 2026 N GLY B 13 2.483 20.442 -15.280 1.00 29.78 N ANISOU 2026 N GLY B 13 4463 3453 3398 896 -684 -164 N ATOM 2027 CA GLY B 13 1.132 19.970 -15.047 1.00 31.61 C ANISOU 2027 CA GLY B 13 4609 3639 3762 866 -542 -183 C ATOM 2028 C GLY B 13 0.638 18.962 -16.065 1.00 25.86 C ANISOU 2028 C GLY B 13 3800 2897 3130 760 -532 -181 C ATOM 2029 O GLY B 13 1.064 18.960 -17.218 1.00 25.96 O ANISOU 2029 O GLY B 13 3776 2941 3149 701 -672 -177 O ATOM 2030 H GLY B 13 2.532 21.262 -15.535 1.00 35.73 H ATOM 2031 HA2 GLY B 13 1.088 19.557 -14.170 1.00 37.93 H ATOM 2032 HA3 GLY B 13 0.526 20.728 -15.054 1.00 37.93 H HETATM 2033 N KCR B 14 -0.276 18.101 -15.632 1.00 26.76 N ANISOU 2033 N KCR B 14 3886 2963 3320 736 -365 -183 N HETATM 2034 CA KCR B 14 -0.899 17.164 -16.519 1.00 25.12 C ANISOU 2034 CA KCR B 14 3592 2734 3219 630 -343 -191 C HETATM 2035 CB KCR B 14 -1.686 16.087 -15.774 1.00 27.08 C ANISOU 2035 CB KCR B 14 3847 2921 3521 619 -129 -184 C HETATM 2036 CG KCR B 14 -0.768 15.233 -14.923 1.00 37.20 C ANISOU 2036 CG KCR B 14 5294 4187 4653 675 -13 -141 C HETATM 2037 CD KCR B 14 -1.571 14.215 -14.133 1.00 37.79 C ANISOU 2037 CD KCR B 14 5375 4198 4787 673 208 -130 C HETATM 2038 CE KCR B 14 -0.622 13.323 -13.346 1.00 39.15 C ANISOU 2038 CE KCR B 14 5710 4358 4807 730 323 -80 C HETATM 2039 NZ KCR B 14 -0.262 12.114 -14.041 1.00 31.93 N ANISOU 2039 NZ KCR B 14 4823 3422 3887 653 346 -61 N HETATM 2040 CH KCR B 14 1.114 11.474 -13.929 1.00 49.17 C ANISOU 2040 CH KCR B 14 7158 5623 5901 689 348 -10 C HETATM 2041 OH KCR B 14 1.986 11.974 -13.226 1.00 48.96 O ANISOU 2041 OH KCR B 14 7233 5636 5733 783 323 18 O HETATM 2042 CX KCR B 14 1.323 10.250 -14.708 1.00 32.73 C ANISOU 2042 CX KCR B 14 5091 3508 3837 604 380 3 C HETATM 2043 CY KCR B 14 2.458 9.574 -14.663 1.00 36.21 C ANISOU 2043 CY KCR B 14 5659 3957 4142 629 398 54 C HETATM 2044 CH3 KCR B 14 2.654 8.351 -15.453 1.00 33.30 C ANISOU 2044 CH3 KCR B 14 5310 3549 3794 545 436 65 C HETATM 2045 C KCR B 14 -1.916 17.917 -17.439 1.00 24.85 C ANISOU 2045 C KCR B 14 3379 2716 3346 570 -447 -227 C HETATM 2046 O KCR B 14 -2.380 19.015 -17.059 1.00 27.94 O ANISOU 2046 O KCR B 14 3719 3115 3783 623 -470 -243 O HETATM 2047 H1 KCR B 14 -0.427 18.066 -14.786 1.00 32.11 H HETATM 2048 H4 KCR B 14 -0.233 16.740 -17.082 1.00 30.14 H HETATM 2049 H5 KCR B 14 -2.370 16.486 -15.214 1.00 32.50 H HETATM 2050 H6 KCR B 14 -2.192 15.530 -16.386 1.00 32.50 H HETATM 2051 H7 KCR B 14 -0.114 14.776 -15.475 1.00 44.64 H HETATM 2052 H8 KCR B 14 -0.243 15.790 -14.328 1.00 44.64 H HETATM 2053 H9 KCR B 14 -2.128 13.691 -14.729 1.00 45.35 H HETATM 2054 H10 KCR B 14 -2.196 14.657 -13.536 1.00 45.35 H HETATM 2055 H11 KCR B 14 0.198 13.789 -13.118 1.00 46.98 H HETATM 2056 H12 KCR B 14 -0.978 13.079 -12.477 1.00 46.98 H HETATM 2057 H13 KCR B 14 -0.859 11.751 -14.542 1.00 38.32 H HETATM 2058 H14 KCR B 14 0.609 9.979 -15.238 1.00 39.28 H HETATM 2059 H15 KCR B 14 3.170 9.851 -14.133 1.00 43.45 H HETATM 2060 H16 KCR B 14 2.018 7.651 -15.237 1.00 39.96 H HETATM 2061 H17 KCR B 14 3.540 7.973 -15.336 1.00 39.96 H HETATM 2062 H18 KCR B 14 2.556 8.525 -16.402 1.00 39.96 H ATOM 2063 N ALA B 15 -2.255 17.334 -18.583 1.00 22.32 N ANISOU 2063 N ALA B 15 2971 2401 3108 466 -502 -240 N ATOM 2064 CA ALA B 15 -3.249 17.932 -19.462 1.00 22.70 C ANISOU 2064 CA ALA B 15 2846 2472 3308 406 -594 -271 C ATOM 2065 C ALA B 15 -4.629 17.830 -18.813 1.00 26.85 C ANISOU 2065 C ALA B 15 3279 2954 3971 402 -445 -285 C ATOM 2066 O ALA B 15 -4.842 16.991 -17.941 1.00 24.62 O ANISOU 2066 O ALA B 15 3058 2620 3677 417 -271 -273 O ATOM 2067 CB ALA B 15 -3.238 17.255 -20.817 1.00 25.71 C ANISOU 2067 CB ALA B 15 3164 2873 3730 294 -686 -283 C ATOM 2068 H ALA B 15 -1.924 16.595 -18.872 1.00 26.78 H ATOM 2069 HA ALA B 15 -3.041 18.871 -19.589 1.00 27.24 H ATOM 2070 HB1 ALA B 15 -3.908 17.670 -21.383 1.00 30.85 H ATOM 2071 HB2 ALA B 15 -2.359 17.358 -21.214 1.00 30.85 H ATOM 2072 HB3 ALA B 15 -3.440 16.313 -20.701 1.00 30.85 H ATOM 2073 N PRO B 16 -5.564 18.685 -19.226 1.00 30.21 N ANISOU 2073 N PRO B 16 3554 3400 4525 386 -508 -304 N ATOM 2074 CA PRO B 16 -6.906 18.648 -18.627 1.00 32.30 C ANISOU 2074 CA PRO B 16 3720 3626 4928 385 -368 -312 C ATOM 2075 C PRO B 16 -7.549 17.275 -18.771 1.00 28.24 C ANISOU 2075 C PRO B 16 3167 3069 4492 293 -247 -318 C ATOM 2076 O PRO B 16 -7.517 16.661 -19.840 1.00 26.55 O ANISOU 2076 O PRO B 16 2906 2873 4310 193 -324 -334 O ATOM 2077 CB PRO B 16 -7.670 19.722 -19.407 1.00 38.81 C ANISOU 2077 CB PRO B 16 4376 4493 5875 364 -495 -327 C ATOM 2078 CG PRO B 16 -6.604 20.674 -19.849 1.00 38.80 C ANISOU 2078 CG PRO B 16 4429 4543 5770 410 -667 -322 C ATOM 2079 CD PRO B 16 -5.418 19.810 -20.169 1.00 32.29 C ANISOU 2079 CD PRO B 16 3734 3724 4812 382 -702 -312 C ATOM 2080 HA PRO B 16 -6.868 18.893 -17.689 1.00 38.76 H ATOM 2081 HB2 PRO B 16 -8.116 19.322 -20.170 1.00 46.57 H ATOM 2082 HB3 PRO B 16 -8.307 20.163 -18.824 1.00 46.57 H ATOM 2083 HG2 PRO B 16 -6.901 21.154 -20.638 1.00 46.56 H ATOM 2084 HG3 PRO B 16 -6.396 21.290 -19.130 1.00 46.56 H ATOM 2085 HD2 PRO B 16 -5.465 19.493 -21.084 1.00 38.75 H ATOM 2086 HD3 PRO B 16 -4.592 20.290 -19.998 1.00 38.75 H ATOM 2087 N ARG B 17 -8.148 16.800 -17.675 1.00 33.96 N ANISOU 2087 N ARG B 17 3916 3735 5251 328 -53 -306 N ATOM 2088 CA ARG B 17 -8.682 15.442 -17.648 1.00 39.29 C ANISOU 2088 CA ARG B 17 4574 4358 5995 250 86 -307 C ATOM 2089 C ARG B 17 -9.735 15.233 -18.728 1.00 37.15 C ANISOU 2089 C ARG B 17 4121 4102 5894 128 27 -337 C ATOM 2090 O ARG B 17 -9.774 14.177 -19.370 1.00 36.91 O ANISOU 2090 O ARG B 17 4077 4055 5894 27 37 -353 O ATOM 2091 CB ARG B 17 -9.266 15.140 -16.270 1.00 46.80 C ANISOU 2091 CB ARG B 17 5563 5247 6971 318 304 -285 C ATOM 2092 CG ARG B 17 -8.237 15.135 -15.159 1.00 50.61 C ANISOU 2092 CG ARG B 17 6233 5716 7278 433 380 -255 C ATOM 2093 CD ARG B 17 -8.900 15.239 -13.797 1.00 50.53 C ANISOU 2093 CD ARG B 17 6244 5662 7295 522 569 -235 C ATOM 2094 NE ARG B 17 -9.106 16.627 -13.392 1.00 57.71 N ANISOU 2094 NE ARG B 17 7125 6597 8203 608 515 -242 N ATOM 2095 CZ ARG B 17 -9.839 17.002 -12.348 1.00 49.19 C ANISOU 2095 CZ ARG B 17 6035 5486 7167 687 652 -230 C ATOM 2096 NH1 ARG B 17 -10.452 16.094 -11.600 1.00 47.09 N ANISOU 2096 NH1 ARG B 17 5777 5162 6951 692 852 -207 N ATOM 2097 NH2 ARG B 17 -9.965 18.288 -12.053 1.00 53.87 N ANISOU 2097 NH2 ARG B 17 6610 6103 7757 763 594 -241 N ATOM 2098 H ARG B 17 -8.255 17.240 -16.944 1.00 40.75 H ATOM 2099 HA ARG B 17 -7.959 14.815 -17.810 1.00 47.15 H ATOM 2100 HB2 ARG B 17 -9.930 15.815 -16.057 1.00 56.16 H ATOM 2101 HB3 ARG B 17 -9.683 14.264 -16.292 1.00 56.16 H ATOM 2102 HG2 ARG B 17 -7.734 14.306 -15.190 1.00 60.73 H ATOM 2103 HG3 ARG B 17 -7.643 15.894 -15.267 1.00 60.73 H ATOM 2104 HD2 ARG B 17 -9.766 14.802 -13.831 1.00 60.64 H ATOM 2105 HD3 ARG B 17 -8.336 14.811 -13.135 1.00 60.64 H ATOM 2106 HE ARG B 17 -8.728 17.242 -13.859 1.00 69.25 H ATOM 2107 HH11 ARG B 17 -10.373 15.258 -11.787 1.00 56.50 H ATOM 2108 HH12 ARG B 17 -10.927 16.341 -10.926 1.00 56.50 H ATOM 2109 HH21 ARG B 17 -9.572 18.880 -12.537 1.00 64.65 H ATOM 2110 HH22 ARG B 17 -10.442 18.530 -11.380 1.00 64.65 H ATOM 2111 N LYS B 18 -10.607 16.222 -18.936 1.00 40.18 N ANISOU 2111 N LYS B 18 4360 4516 6390 135 -32 -344 N ATOM 2112 CA LYS B 18 -11.628 16.092 -19.971 1.00 41.04 C ANISOU 2112 CA LYS B 18 4284 4650 6658 22 -97 -370 C ATOM 2113 C LYS B 18 -10.996 15.847 -21.336 1.00 39.28 C ANISOU 2113 C LYS B 18 4051 4479 6393 -65 -275 -394 C ATOM 2114 O LYS B 18 -11.507 15.050 -22.129 1.00 43.58 O ANISOU 2114 O LYS B 18 4511 5025 7025 -182 -288 -422 O ATOM 2115 CB LYS B 18 -12.509 17.340 -20.002 1.00 44.41 C ANISOU 2115 CB LYS B 18 4567 5114 7194 61 -150 -364 C ATOM 2116 CG LYS B 18 -13.446 17.465 -18.805 1.00 47.29 C ANISOU 2116 CG LYS B 18 4901 5425 7643 125 36 -342 C ATOM 2117 CD LYS B 18 -14.280 18.739 -18.861 1.00 53.31 C ANISOU 2117 CD LYS B 18 5524 6222 8509 168 -17 -333 C ATOM 2118 CE LYS B 18 -15.296 18.701 -19.996 1.00 58.43 C ANISOU 2118 CE LYS B 18 5965 6915 9320 56 -104 -347 C ATOM 2119 NZ LYS B 18 -16.161 19.915 -20.011 1.00 62.45 N ANISOU 2119 NZ LYS B 18 6333 7458 9938 104 -140 -329 N ATOM 2120 H LYS B 18 -10.628 16.963 -18.500 1.00 48.22 H ATOM 2121 HA LYS B 18 -12.193 15.332 -19.762 1.00 49.24 H ATOM 2122 HB2 LYS B 18 -11.939 18.125 -20.015 1.00 53.30 H ATOM 2123 HB3 LYS B 18 -13.055 17.317 -20.804 1.00 53.30 H ATOM 2124 HG2 LYS B 18 -14.052 16.708 -18.795 1.00 56.75 H ATOM 2125 HG3 LYS B 18 -12.920 17.484 -17.990 1.00 56.75 H ATOM 2126 HD2 LYS B 18 -14.762 18.842 -18.026 1.00 63.97 H ATOM 2127 HD3 LYS B 18 -13.694 19.498 -19.005 1.00 63.97 H ATOM 2128 HE2 LYS B 18 -14.826 18.653 -20.843 1.00 70.12 H ATOM 2129 HE3 LYS B 18 -15.867 17.924 -19.886 1.00 70.12 H ATOM 2130 HZ1 LYS B 18 -16.743 19.864 -20.683 1.00 74.94 H ATOM 2131 HZ2 LYS B 18 -16.608 19.979 -19.245 1.00 74.94 H ATOM 2132 HZ3 LYS B 18 -15.660 20.643 -20.116 1.00 74.94 H ATOM 2133 N GLN B 19 -9.876 16.514 -21.623 1.00 31.14 N ANISOU 2133 N GLN B 19 3109 3491 5229 -10 -410 -386 N ATOM 2134 CA GLN B 19 -9.202 16.309 -22.901 1.00 29.05 C ANISOU 2134 CA GLN B 19 2846 3277 4914 -82 -577 -404 C ATOM 2135 C GLN B 19 -8.577 14.922 -22.972 1.00 29.03 C ANISOU 2135 C GLN B 19 2961 3231 4838 -138 -505 -410 C ATOM 2136 O GLN B 19 -8.583 14.284 -24.032 1.00 48.25 O ANISOU 2136 O GLN B 19 5354 5684 7296 -241 -580 -438 O ATOM 2137 CB GLN B 19 -8.156 17.404 -23.112 1.00 29.70 C ANISOU 2137 CB GLN B 19 2995 3412 4877 0 -728 -386 C ATOM 2138 CG GLN B 19 -8.778 18.779 -23.382 1.00 30.99 C ANISOU 2138 CG GLN B 19 3023 3626 5127 36 -830 -383 C ATOM 2139 CD GLN B 19 -7.775 19.918 -23.356 1.00 36.52 C ANISOU 2139 CD GLN B 19 3798 4362 5717 129 -951 -364 C ATOM 2140 OE1 GLN B 19 -8.052 20.990 -22.813 1.00 42.05 O ANISOU 2140 OE1 GLN B 19 4468 5064 6443 209 -948 -353 O ATOM 2141 NE2 GLN B 19 -6.611 19.699 -23.954 1.00 31.09 N ANISOU 2141 NE2 GLN B 19 3206 3700 4907 119 -1056 -358 N ATOM 2142 H GLN B 19 -9.493 17.081 -21.102 1.00 37.36 H ATOM 2143 HA GLN B 19 -9.855 16.379 -23.615 1.00 34.86 H ATOM 2144 HB2 GLN B 19 -7.607 17.474 -22.315 1.00 35.64 H ATOM 2145 HB3 GLN B 19 -7.604 17.169 -23.875 1.00 35.64 H ATOM 2146 HG2 GLN B 19 -9.192 18.769 -24.260 1.00 37.19 H ATOM 2147 HG3 GLN B 19 -9.448 18.958 -22.704 1.00 37.19 H ATOM 2148 HE21 GLN B 19 -6.458 18.941 -24.331 1.00 37.31 H ATOM 2149 HE22 GLN B 19 -6.011 20.314 -23.965 1.00 37.31 H ATOM 2150 N LEU B 20 -8.043 14.432 -21.851 1.00 28.66 N ANISOU 2150 N LEU B 20 3061 3127 4700 -70 -357 -384 N ATOM 2151 CA LEU B 20 -7.556 13.058 -21.799 1.00 29.63 C ANISOU 2151 CA LEU B 20 3292 3200 4767 -118 -259 -383 C ATOM 2152 C LEU B 20 -8.687 12.066 -22.036 1.00 39.48 C ANISOU 2152 C LEU B 20 4434 4401 6166 -230 -156 -413 C ATOM 2153 O LEU B 20 -8.452 10.967 -22.551 1.00 45.22 O ANISOU 2153 O LEU B 20 5200 5100 6883 -314 -132 -431 O ATOM 2154 CB LEU B 20 -6.884 12.803 -20.448 1.00 28.82 C ANISOU 2154 CB LEU B 20 3355 3050 4546 -12 -108 -342 C ATOM 2155 CG LEU B 20 -6.376 11.390 -20.140 1.00 36.86 C ANISOU 2155 CG LEU B 20 4497 4006 5501 -37 30 -328 C ATOM 2156 CD1 LEU B 20 -5.124 11.058 -20.934 1.00 29.63 C ANISOU 2156 CD1 LEU B 20 3684 3119 4455 -58 -85 -322 C ATOM 2157 CD2 LEU B 20 -6.111 11.253 -18.652 1.00 40.12 C ANISOU 2157 CD2 LEU B 20 5032 4376 5837 74 205 -285 C ATOM 2158 H LEU B 20 -7.954 14.871 -21.116 1.00 34.39 H ATOM 2159 HA LEU B 20 -6.893 12.930 -22.495 1.00 35.56 H ATOM 2160 HB2 LEU B 20 -6.120 13.396 -20.380 1.00 34.59 H ATOM 2161 HB3 LEU B 20 -7.521 13.029 -19.752 1.00 34.59 H ATOM 2162 HG LEU B 20 -7.063 10.749 -20.382 1.00 44.23 H ATOM 2163 HD11 LEU B 20 -4.838 10.158 -20.710 1.00 35.56 H ATOM 2164 HD12 LEU B 20 -5.327 11.114 -21.881 1.00 35.56 H ATOM 2165 HD13 LEU B 20 -4.428 11.693 -20.706 1.00 35.56 H ATOM 2166 HD21 LEU B 20 -5.791 10.355 -18.471 1.00 48.15 H ATOM 2167 HD22 LEU B 20 -5.441 11.903 -18.390 1.00 48.15 H ATOM 2168 HD23 LEU B 20 -6.936 11.414 -18.169 1.00 48.15 H ATOM 2169 N ALA B 21 -9.917 12.436 -21.671 1.00 36.69 N ANISOU 2169 N ALA B 21 3946 4038 5956 -234 -92 -418 N ATOM 2170 CA ALA B 21 -11.063 11.558 -21.877 1.00 37.64 C ANISOU 2170 CA ALA B 21 3950 4117 6235 -343 4 -445 C ATOM 2171 C ALA B 21 -11.538 11.580 -23.325 1.00 46.61 C ANISOU 2171 C ALA B 21 4941 5310 7460 -466 -160 -491 C ATOM 2172 O ALA B 21 -11.819 10.524 -23.902 1.00 40.56 O ANISOU 2172 O ALA B 21 4145 4515 6749 -581 -133 -526 O ATOM 2173 CB ALA B 21 -12.200 11.958 -20.939 1.00 38.18 C ANISOU 2173 CB ALA B 21 3924 4156 6425 -298 135 -427 C ATOM 2174 H ALA B 21 -10.110 13.189 -21.304 1.00 44.03 H ATOM 2175 HA ALA B 21 -10.804 10.649 -21.662 1.00 45.17 H ATOM 2176 HB1 ALA B 21 -12.954 11.366 -21.087 1.00 45.81 H ATOM 2177 HB2 ALA B 21 -11.894 11.882 -20.022 1.00 45.81 H ATOM 2178 HB3 ALA B 21 -12.457 12.875 -21.127 1.00 45.81 H ATOM 2179 N THR B 22 -11.640 12.766 -23.932 1.00 44.61 N ANISOU 2179 N THR B 22 4594 5138 7220 -444 -328 -493 N ATOM 2180 CA THR B 22 -12.039 12.835 -25.335 1.00 48.35 C ANISOU 2180 CA THR B 22 4930 5676 7763 -552 -493 -533 C ATOM 2181 C THR B 22 -11.016 12.148 -26.229 1.00 55.93 C ANISOU 2181 C THR B 22 5991 6649 8610 -609 -586 -556 C ATOM 2182 O THR B 22 -11.374 11.604 -27.280 1.00 58.30 O ANISOU 2182 O THR B 22 6210 6973 8970 -727 -661 -601 O ATOM 2183 CB THR B 22 -12.229 14.290 -25.770 1.00 50.26 C ANISOU 2183 CB THR B 22 5066 6004 8027 -499 -651 -520 C ATOM 2184 OG1 THR B 22 -10.968 14.972 -25.747 1.00 61.76 O ANISOU 2184 OG1 THR B 22 6651 7489 9325 -406 -746 -495 O ATOM 2185 CG2 THR B 22 -13.219 15.010 -24.853 1.00 44.18 C ANISOU 2185 CG2 THR B 22 4203 5218 7366 -434 -552 -493 C ATOM 2186 H THR B 22 -11.488 13.527 -23.562 1.00 53.54 H ATOM 2187 HA THR B 22 -12.887 12.376 -25.444 1.00 58.01 H ATOM 2188 HB THR B 22 -12.584 14.309 -26.672 1.00 60.32 H ATOM 2189 HG1 THR B 22 -10.648 14.958 -24.971 1.00 74.11 H ATOM 2190 HG21 THR B 22 -13.329 15.930 -25.141 1.00 53.02 H ATOM 2191 HG22 THR B 22 -14.081 14.566 -24.882 1.00 53.02 H ATOM 2192 HG23 THR B 22 -12.891 15.003 -23.940 1.00 53.02 H ATOM 2193 N LYS B 23 -9.743 12.159 -25.827 1.00 46.96 N ANISOU 2193 N LYS B 23 5033 5499 7312 -526 -582 -526 N ATOM 2194 CA LYS B 23 -8.723 11.414 -26.559 1.00 49.18 C ANISOU 2194 CA LYS B 23 5425 5780 7480 -570 -644 -540 C ATOM 2195 C LYS B 23 -8.973 9.915 -26.457 1.00 51.22 C ANISOU 2195 C LYS B 23 5725 5959 7779 -662 -496 -566 C ATOM 2196 O LYS B 23 -8.987 9.206 -27.470 1.00 52.83 O ANISOU 2196 O LYS B 23 5904 6168 7999 -770 -558 -609 O ATOM 2197 CB LYS B 23 -7.337 11.771 -26.018 1.00 43.38 C ANISOU 2197 CB LYS B 23 4868 5047 6569 -453 -656 -493 C ATOM 2198 CG LYS B 23 -6.180 10.965 -26.600 1.00 53.17 C ANISOU 2198 CG LYS B 23 6244 6279 7680 -481 -695 -492 C ATOM 2199 CD LYS B 23 -5.893 11.339 -28.041 1.00 52.91 C ANISOU 2199 CD LYS B 23 6151 6325 7628 -535 -904 -516 C ATOM 2200 CE LYS B 23 -4.618 10.670 -28.533 1.00 38.96 C ANISOU 2200 CE LYS B 23 4534 4551 5716 -540 -941 -505 C ATOM 2201 NZ LYS B 23 -4.362 10.930 -29.978 1.00 61.08 N ANISOU 2201 NZ LYS B 23 7282 7427 8500 -596 -1136 -529 N ATOM 2202 H LYS B 23 -9.448 12.585 -25.141 1.00 56.36 H ATOM 2203 HA LYS B 23 -8.756 11.664 -27.495 1.00 59.01 H ATOM 2204 HB2 LYS B 23 -7.165 12.706 -26.208 1.00 52.06 H ATOM 2205 HB3 LYS B 23 -7.337 11.629 -25.058 1.00 52.06 H ATOM 2206 HG2 LYS B 23 -5.380 11.135 -26.079 1.00 63.81 H ATOM 2207 HG3 LYS B 23 -6.403 10.022 -26.572 1.00 63.81 H ATOM 2208 HD2 LYS B 23 -6.628 11.047 -28.602 1.00 63.49 H ATOM 2209 HD3 LYS B 23 -5.778 12.300 -28.107 1.00 63.49 H ATOM 2210 HE2 LYS B 23 -3.864 11.011 -28.027 1.00 46.75 H ATOM 2211 HE3 LYS B 23 -4.695 9.711 -28.409 1.00 46.75 H ATOM 2212 HZ1 LYS B 23 -3.611 10.525 -30.231 1.00 73.30 H ATOM 2213 HZ2 LYS B 23 -5.037 10.620 -30.468 1.00 73.30 H ATOM 2214 HZ3 LYS B 23 -4.280 11.805 -30.119 1.00 73.30 H ATOM 2215 N ALA B 24 -9.179 9.416 -25.239 1.00 54.05 N ANISOU 2215 N ALA B 24 6145 6239 8153 -618 -297 -540 N ATOM 2216 CA ALA B 24 -9.396 7.993 -25.018 1.00 54.48 C ANISOU 2216 CA ALA B 24 6247 6206 8248 -693 -134 -557 C ATOM 2217 C ALA B 24 -10.755 7.511 -25.510 1.00 63.24 C ANISOU 2217 C ALA B 24 7185 7300 9544 -824 -108 -608 C ATOM 2218 O ALA B 24 -11.035 6.311 -25.404 1.00 62.04 O ANISOU 2218 O ALA B 24 7056 7071 9447 -902 24 -629 O ATOM 2219 CB ALA B 24 -9.245 7.672 -23.531 1.00 58.85 C ANISOU 2219 CB ALA B 24 6910 6685 8765 -597 75 -507 C ATOM 2220 H ALA B 24 -9.197 9.888 -24.520 1.00 64.86 H ATOM 2221 HA ALA B 24 -8.715 7.496 -25.499 1.00 65.38 H ATOM 2222 HB1 ALA B 24 -9.391 6.722 -23.397 1.00 70.62 H ATOM 2223 HB2 ALA B 24 -8.349 7.912 -23.246 1.00 70.62 H ATOM 2224 HB3 ALA B 24 -9.900 8.182 -23.030 1.00 70.62 H ATOM 2225 N ALA B 25 -11.597 8.396 -26.037 1.00 62.72 N ANISOU 2225 N ALA B 25 6948 7304 9580 -851 -228 -627 N ATOM 2226 CA ALA B 25 -12.908 8.007 -26.546 1.00 59.86 C ANISOU 2226 CA ALA B 25 6408 6940 9397 -977 -219 -674 C ATOM 2227 C ALA B 25 -12.872 7.866 -28.063 1.00 64.10 C ANISOU 2227 C ALA B 25 6875 7542 9938 -1092 -405 -732 C ATOM 2228 O ALA B 25 -13.801 7.331 -28.669 1.00 59.49 O ANISOU 2228 O ALA B 25 6162 6959 9484 -1219 -413 -783 O ATOM 2229 CB ALA B 25 -13.963 9.025 -26.132 1.00 57.25 C ANISOU 2229 CB ALA B 25 5920 6646 9187 -935 -220 -652 C ATOM 2230 H ALA B 25 -11.429 9.236 -26.112 1.00 75.27 H ATOM 2231 HA ALA B 25 -13.154 7.148 -26.168 1.00 71.83 H ATOM 2232 HB1 ALA B 25 -14.824 8.746 -26.481 1.00 68.70 H ATOM 2233 HB2 ALA B 25 -13.996 9.069 -25.164 1.00 68.70 H ATOM 2234 HB3 ALA B 25 -13.724 9.892 -26.495 1.00 68.70 H HETATM 2235 N NH2 B 26 -11.794 8.352 -28.672 1.00 62.22 N ANISOU 2235 N NH2 B 26 6721 7362 9556 -1046 -554 -724 N TER 2236 NH2 B 26 HETATM 2237 ZN ZN A 401 17.445 3.821 -5.940 1.00 23.21 ZN2+ HETATM 2238 ZN ZN A 402 8.488 5.509 4.961 1.00 26.11 ZN2+ HETATM 2239 ZN ZN A 403 3.957 13.073 -23.477 1.00 20.42 ZN2+ HETATM 2240 ZN ZN A 404 -0.281 6.059 -10.343 1.00 19.78 ZN2+ HETATM 2241 S SO4 A 405 19.184 20.696 -4.797 1.00 81.96 S HETATM 2242 O1 SO4 A 405 17.976 21.406 -5.211 1.00 81.77 O HETATM 2243 O2 SO4 A 405 19.422 19.575 -5.704 1.00 83.64 O HETATM 2244 O3 SO4 A 405 19.015 20.191 -3.437 1.00 81.50 O HETATM 2245 O4 SO4 A 405 20.323 21.611 -4.838 1.00 80.78 O HETATM 2246 S SO4 A 406 -3.112 -1.351 -2.982 1.00 88.49 S HETATM 2247 O1 SO4 A 406 -2.254 -0.203 -3.268 1.00 86.58 O HETATM 2248 O2 SO4 A 406 -3.943 -1.643 -4.148 1.00 86.94 O HETATM 2249 O3 SO4 A 406 -2.281 -2.513 -2.674 1.00 87.37 O HETATM 2250 O4 SO4 A 406 -3.969 -1.046 -1.840 1.00 85.83 O HETATM 2251 S SO4 B 101 -8.111 19.683 -15.174 1.00 75.11 S HETATM 2252 O1 SO4 B 101 -9.100 19.947 -16.215 1.00 78.19 O HETATM 2253 O2 SO4 B 101 -6.959 20.562 -15.360 1.00 77.56 O HETATM 2254 O3 SO4 B 101 -8.707 19.929 -13.863 1.00 79.06 O HETATM 2255 O4 SO4 B 101 -7.675 18.292 -15.257 1.00 79.03 O HETATM 2256 O HOH A 501 20.683 2.986 9.702 1.00 48.30 O HETATM 2257 O HOH A 502 0.227 -2.431 2.419 1.00 49.79 O HETATM 2258 O HOH A 503 3.937 19.986 0.341 1.00 51.87 O HETATM 2259 O HOH A 504 21.159 3.676 -14.055 1.00 53.51 O HETATM 2260 O HOH A 505 -9.117 -1.420 -22.191 1.00 43.56 O HETATM 2261 O HOH A 506 10.692 12.687 3.373 1.00 34.58 O HETATM 2262 O HOH A 507 7.764 14.716 -24.963 1.00 37.32 O HETATM 2263 O HOH A 508 9.011 -0.239 -3.492 1.00 39.36 O HETATM 2264 O HOH A 509 14.785 -1.757 -18.602 1.00 37.00 O HETATM 2265 O HOH A 510 -6.285 5.099 -14.192 1.00 51.69 O HETATM 2266 O HOH A 511 20.282 7.720 4.206 1.00 34.17 O HETATM 2267 O HOH A 512 2.600 1.055 -21.080 1.00 31.70 O HETATM 2268 O HOH A 513 -2.924 -0.413 -22.661 1.00 34.68 O HETATM 2269 O HOH A 514 -5.916 1.360 -15.589 1.00 35.40 O HETATM 2270 O HOH A 515 13.920 12.350 9.782 1.00 45.52 O HETATM 2271 O HOH A 516 0.133 7.283 7.822 1.00 40.09 O HETATM 2272 O HOH A 517 21.302 6.700 0.265 1.00 42.66 O HETATM 2273 O HOH A 518 25.530 23.711 -0.312 1.00 46.47 O HETATM 2274 O HOH A 519 16.331 -3.558 -7.698 1.00 48.91 O HETATM 2275 O HOH A 520 0.134 3.518 -4.272 1.00 31.60 O HETATM 2276 O HOH A 521 -1.313 14.974 -3.930 1.00 55.25 O HETATM 2277 O HOH A 522 16.357 12.849 -11.576 1.00 44.93 O HETATM 2278 O HOH A 523 -2.274 8.370 -18.859 1.00 23.19 O HETATM 2279 O HOH A 524 4.374 2.483 -25.005 1.00 23.26 O HETATM 2280 O HOH A 525 -4.096 -0.924 -8.555 1.00 43.30 O HETATM 2281 O HOH A 526 4.420 -0.676 -27.043 1.00 48.53 O HETATM 2282 O HOH A 527 -8.203 -3.545 -16.214 1.00 44.68 O HETATM 2283 O HOH A 528 4.930 7.831 -35.252 1.00 47.88 O HETATM 2284 O HOH A 529 14.088 13.258 -13.575 1.00 49.63 O HETATM 2285 O HOH A 530 0.849 -0.063 -4.176 1.00 45.87 O HETATM 2286 O HOH A 531 14.803 10.000 -21.540 1.00 35.95 O HETATM 2287 O HOH A 532 16.293 11.730 -14.783 1.00 35.40 O HETATM 2288 O HOH A 533 -5.763 0.363 -21.944 1.00 33.80 O HETATM 2289 O HOH A 534 10.237 -3.770 -8.888 1.00 39.70 O HETATM 2290 O HOH A 535 7.305 4.245 -29.964 1.00 31.64 O HETATM 2291 O HOH A 536 7.950 2.711 -6.004 1.00 24.02 O HETATM 2292 O HOH A 537 10.357 -2.591 5.659 1.00 48.86 O HETATM 2293 O HOH A 538 0.045 19.330 -19.842 1.00 25.86 O HETATM 2294 O HOH A 539 3.346 19.034 -18.742 1.00 25.45 O HETATM 2295 O HOH A 540 22.316 14.071 -2.393 1.00 27.46 O HETATM 2296 O HOH A 541 9.011 3.464 -3.734 1.00 22.32 O HETATM 2297 O HOH A 542 10.696 2.743 -9.358 1.00 24.11 O HETATM 2298 O HOH A 543 2.158 0.027 -1.634 1.00 53.00 O HETATM 2299 O HOH A 544 5.365 0.364 -13.710 1.00 22.03 O HETATM 2300 O HOH A 545 21.351 9.340 10.659 1.00 36.97 O HETATM 2301 O HOH A 546 0.420 -0.219 -15.547 1.00 24.86 O HETATM 2302 O HOH A 547 9.463 18.955 -0.626 1.00 38.81 O HETATM 2303 O HOH A 548 5.769 -0.615 -6.692 1.00 27.78 O HETATM 2304 O HOH A 549 19.442 5.010 -13.456 1.00 32.50 O HETATM 2305 O HOH A 550 12.242 16.583 -21.630 1.00 46.77 O HETATM 2306 O HOH A 551 16.081 5.254 -21.943 1.00 44.59 O HETATM 2307 O HOH A 552 13.861 -0.421 5.924 1.00 48.55 O HETATM 2308 O HOH A 553 20.099 8.068 -13.190 1.00 54.34 O HETATM 2309 O HOH A 554 8.693 10.394 -10.148 1.00 29.24 O HETATM 2310 O HOH A 555 20.077 2.410 -16.706 1.00 44.49 O HETATM 2311 O HOH A 556 4.424 10.657 -12.188 1.00 24.30 O HETATM 2312 O HOH A 557 20.786 15.274 4.589 1.00 26.77 O HETATM 2313 O HOH A 558 15.076 1.567 5.672 1.00 40.09 O HETATM 2314 O HOH A 559 0.328 4.464 -26.882 1.00 23.62 O HETATM 2315 O HOH A 560 -2.709 -1.281 -6.915 1.00 52.39 O HETATM 2316 O HOH A 561 0.767 0.183 -27.059 1.00 41.23 O HETATM 2317 O HOH A 562 -2.126 -4.337 -7.369 1.00 48.66 O HETATM 2318 O HOH A 563 4.589 1.054 -22.768 1.00 32.94 O HETATM 2319 O HOH A 564 17.258 5.122 0.792 1.00 35.56 O HETATM 2320 O HOH A 565 10.530 5.308 -23.898 1.00 35.12 O HETATM 2321 O HOH A 566 6.082 0.501 -1.130 1.00 42.58 O HETATM 2322 O HOH A 567 -6.465 -2.009 -14.219 1.00 34.94 O HETATM 2323 O HOH A 568 14.219 3.022 -22.437 1.00 41.97 O HETATM 2324 O HOH A 569 15.285 4.244 9.149 1.00 38.40 O HETATM 2325 O HOH A 570 1.720 9.637 8.500 1.00 47.06 O HETATM 2326 O HOH A 571 17.555 15.502 -8.300 1.00 33.62 O HETATM 2327 O HOH A 572 14.054 13.752 -20.365 1.00 42.47 O HETATM 2328 O HOH A 573 21.777 17.574 3.576 1.00 38.03 O HETATM 2329 O HOH A 574 8.530 3.938 -8.419 1.00 20.01 O HETATM 2330 O HOH A 575 18.035 10.981 -12.710 1.00 32.10 O HETATM 2331 O HOH A 576 12.403 7.499 -24.053 1.00 29.78 O HETATM 2332 O HOH A 577 6.113 0.506 -4.179 1.00 35.06 O HETATM 2333 O HOH A 578 1.370 13.846 -1.154 1.00 44.52 O HETATM 2334 O HOH A 579 11.000 4.748 -27.012 1.00 41.52 O HETATM 2335 O HOH A 580 9.526 0.644 -7.594 1.00 29.62 O HETATM 2336 O HOH A 581 18.841 20.875 2.609 1.00 44.30 O HETATM 2337 O HOH A 582 19.834 -0.109 -15.995 1.00 48.52 O HETATM 2338 O HOH A 583 -0.737 13.378 2.879 1.00 32.58 O HETATM 2339 O HOH A 584 7.677 0.978 -20.303 1.00 41.44 O HETATM 2340 O HOH A 585 16.145 -1.485 -12.736 1.00 34.85 O HETATM 2341 O HOH A 586 2.299 15.741 2.666 1.00 33.14 O HETATM 2342 O HOH A 587 12.091 14.298 -13.601 1.00 38.06 O HETATM 2343 O HOH A 588 7.667 0.225 -15.354 1.00 23.00 O HETATM 2344 O HOH A 589 16.886 -1.685 -8.173 1.00 47.42 O HETATM 2345 O HOH A 590 4.755 -6.406 -10.233 1.00 29.54 O HETATM 2346 O HOH A 591 8.456 17.779 -22.088 1.00 30.80 O HETATM 2347 O HOH A 592 4.119 19.148 -31.082 1.00 55.59 O HETATM 2348 O HOH A 593 13.237 2.458 8.031 1.00 51.87 O HETATM 2349 O HOH A 594 12.380 2.696 -25.750 1.00 46.49 O HETATM 2350 O HOH A 595 12.200 9.070 -28.632 1.00 51.02 O HETATM 2351 O HOH A 596 19.324 5.953 2.242 1.00 32.78 O HETATM 2352 O HOH A 597 20.876 13.411 9.159 1.00 43.17 O HETATM 2353 O HOH A 598 15.108 16.268 -14.769 1.00 41.58 O HETATM 2354 O HOH A 599 4.003 7.515 7.179 1.00 43.31 O HETATM 2355 O HOH A 600 23.205 4.829 -10.077 1.00 59.70 O HETATM 2356 O HOH A 601 -1.684 10.265 -2.719 1.00 46.76 O HETATM 2357 O HOH A 602 21.995 11.301 1.394 1.00 40.87 O HETATM 2358 O HOH A 603 0.517 14.835 -10.093 1.00 46.99 O HETATM 2359 O HOH A 604 21.718 9.415 2.020 1.00 45.41 O HETATM 2360 O HOH A 605 3.010 -7.164 -2.159 1.00 50.63 O HETATM 2361 O HOH A 606 6.445 0.998 -17.628 1.00 27.88 O HETATM 2362 O HOH A 607 23.195 3.458 -15.195 1.00 50.32 O HETATM 2363 O HOH A 608 4.146 -8.415 -0.519 1.00 52.37 O HETATM 2364 O HOH A 609 -1.437 9.921 -11.374 1.00 60.33 O HETATM 2365 O HOH A 610 -0.746 11.168 0.321 1.00 39.48 O HETATM 2366 O HOH A 611 4.683 -0.050 -18.080 1.00 36.73 O HETATM 2367 O HOH A 612 20.317 4.485 -21.397 1.00 52.99 O HETATM 2368 O HOH A 613 4.389 20.355 -27.739 1.00 46.67 O HETATM 2369 O HOH A 614 2.933 -1.274 -16.183 1.00 31.51 O HETATM 2370 O HOH A 615 21.248 15.411 7.226 1.00 34.05 O HETATM 2371 O HOH A 616 17.887 -1.797 -15.206 1.00 40.75 O HETATM 2372 O HOH A 617 14.856 7.824 -22.667 1.00 39.82 O HETATM 2373 O HOH A 618 9.894 4.234 -30.030 1.00 39.67 O HETATM 2374 O HOH A 619 6.023 6.454 7.949 1.00 48.92 O HETATM 2375 O HOH A 620 15.374 -6.458 -13.632 1.00 54.28 O HETATM 2376 O HOH A 621 18.673 4.335 -23.182 1.00 38.72 O HETATM 2377 O HOH A 622 25.925 4.291 -7.907 1.00 51.28 O HETATM 2378 O HOH A 623 9.460 17.026 -24.479 1.00 40.71 O HETATM 2379 O HOH A 624 13.330 10.865 -26.912 1.00 49.55 O HETATM 2380 O HOH A 625 0.427 1.670 -23.153 1.00 33.23 O HETATM 2381 O HOH A 626 3.540 -1.479 -24.926 1.00 62.70 O HETATM 2382 O HOH A 627 -1.379 3.422 -28.811 1.00 42.35 O HETATM 2383 O HOH A 628 6.582 21.118 -26.587 1.00 47.18 O HETATM 2384 O HOH A 629 -4.743 13.149 -15.777 1.00 33.01 O HETATM 2385 O HOH A 630 9.688 4.945 10.332 1.00 58.23 O HETATM 2386 O HOH A 631 7.188 10.908 -12.443 1.00 24.72 O HETATM 2387 O HOH A 632 9.427 19.403 -26.236 1.00 40.96 O HETATM 2388 O HOH A 633 21.246 2.820 -19.343 1.00 37.36 O HETATM 2389 O HOH A 634 -2.380 0.618 -27.605 1.00 50.41 O HETATM 2390 O HOH A 635 12.985 7.022 -26.992 1.00 50.65 O HETATM 2391 O HOH A 636 1.380 2.313 -25.575 1.00 27.84 O HETATM 2392 O HOH A 637 17.026 11.873 15.231 1.00 46.81 O HETATM 2393 O HOH A 638 16.245 7.920 -25.184 1.00 45.41 O HETATM 2394 O HOH A 639 7.584 3.832 10.377 1.00 53.02 O HETATM 2395 O HOH B 201 -6.468 18.807 -26.203 1.00 39.62 O HETATM 2396 O HOH B 202 -10.816 18.596 -17.327 1.00 38.48 O HETATM 2397 O HOH B 203 -2.264 11.029 -14.981 1.00 50.95 O HETATM 2398 O HOH B 204 3.337 17.336 -12.589 1.00 30.40 O HETATM 2399 O HOH B 205 -4.595 20.457 -16.266 1.00 42.10 O HETATM 2400 O HOH B 206 10.871 16.410 -12.777 1.00 48.27 O HETATM 2401 O HOH B 207 1.158 10.975 -1.963 1.00 44.14 O HETATM 2402 O HOH B 208 -5.372 17.049 -14.958 1.00 44.17 O HETATM 2403 O HOH B 209 16.465 12.995 -5.513 1.00 22.73 O HETATM 2404 O HOH B 210 5.894 17.530 -18.633 1.00 23.33 O HETATM 2405 O HOH B 211 -13.201 6.304 -23.812 1.00 43.88 O HETATM 2406 O HOH B 212 5.618 23.659 -13.490 1.00 33.35 O HETATM 2407 O HOH B 213 8.472 13.239 -13.304 1.00 27.44 O HETATM 2408 O HOH B 214 1.068 11.606 -10.650 1.00 32.34 O HETATM 2409 O HOH B 215 -4.190 14.325 -18.240 1.00 23.47 O HETATM 2410 O HOH B 216 8.529 22.847 -3.669 1.00 52.82 O HETATM 2411 O HOH B 217 -1.191 18.261 -13.008 1.00 33.59 O HETATM 2412 O HOH B 218 -4.599 21.634 -23.912 1.00 25.57 O HETATM 2413 O HOH B 219 10.794 13.833 -11.545 1.00 31.53 O HETATM 2414 O HOH B 220 2.668 20.889 -11.882 1.00 36.59 O HETATM 2415 O HOH B 221 12.089 18.257 -8.551 1.00 41.68 O HETATM 2416 O HOH B 222 -9.257 12.055 -17.501 1.00 50.23 O HETATM 2417 O HOH B 223 10.732 21.785 -8.708 1.00 43.07 O HETATM 2418 O HOH B 224 -14.429 14.501 -21.951 1.00 45.62 O HETATM 2419 O HOH B 225 -2.206 21.270 -15.099 1.00 56.70 O HETATM 2420 O HOH B 226 -9.498 12.979 -11.187 1.00 43.84 O HETATM 2421 O HOH B 227 -2.092 21.084 -19.797 1.00 29.60 O HETATM 2422 O HOH B 228 -12.114 18.403 -15.308 1.00 43.98 O HETATM 2423 O HOH B 229 -2.934 22.399 -17.843 1.00 48.10 O HETATM 2424 O HOH B 230 1.094 23.668 -14.486 1.00 44.85 O HETATM 2425 O HOH B 231 10.445 23.496 -10.472 1.00 40.87 O HETATM 2426 O HOH B 232 -16.799 17.778 -23.001 1.00 55.84 O HETATM 2427 O HOH B 233 -4.515 19.987 -12.185 1.00 47.27 O HETATM 2428 O HOH B 234 3.498 23.505 -12.469 1.00 39.67 O HETATM 2429 O HOH B 235 -3.801 17.798 -13.090 1.00 52.25 O HETATM 2430 O HOH B 236 -11.591 11.681 -16.192 1.00 54.13 O HETATM 2431 O HOH B 237 0.455 19.631 -10.314 1.00 47.50 O HETATM 2432 O HOH B 238 0.666 17.393 -11.193 1.00 37.42 O HETATM 2433 O HOH B 239 -5.023 14.592 -13.735 1.00 53.94 O HETATM 2434 O HOH B 240 -0.892 21.925 -12.442 1.00 48.04 O HETATM 2435 O HOH B 241 10.372 25.995 -9.349 1.00 52.43 O CONECT 258 2239 CONECT 299 2239 CONECT 593 2240 CONECT 625 2240 CONECT 675 2239 CONECT 716 2239 CONECT 1032 2240 CONECT 1076 2240 CONECT 1122 2238 CONECT 1154 2238 CONECT 1352 2237 CONECT 1385 2237 CONECT 1459 2238 CONECT 1507 2238 CONECT 1745 2237 CONECT 1791 2237 CONECT 2028 2033 CONECT 2033 2028 2034 2047 CONECT 2034 2033 2035 2045 2048 CONECT 2035 2034 2036 2049 2050 CONECT 2036 2035 2037 2051 2052 CONECT 2037 2036 2038 2053 2054 CONECT 2038 2037 2039 2055 2056 CONECT 2039 2038 2040 2057 CONECT 2040 2039 2041 2042 CONECT 2041 2040 CONECT 2042 2040 2043 2058 CONECT 2043 2042 2044 2059 CONECT 2044 2043 2060 2061 2062 CONECT 2045 2034 2046 2063 CONECT 2046 2045 CONECT 2047 2033 CONECT 2048 2034 CONECT 2049 2035 CONECT 2050 2035 CONECT 2051 2036 CONECT 2052 2036 CONECT 2053 2037 CONECT 2054 2037 CONECT 2055 2038 CONECT 2056 2038 CONECT 2057 2039 CONECT 2058 2042 CONECT 2059 2043 CONECT 2060 2044 CONECT 2061 2044 CONECT 2062 2044 CONECT 2063 2045 CONECT 2227 2235 CONECT 2235 2227 CONECT 2237 1352 1385 1745 1791 CONECT 2238 1122 1154 1459 1507 CONECT 2239 258 299 675 716 CONECT 2240 593 625 1032 1076 CONECT 2241 2242 2243 2244 2245 CONECT 2242 2241 CONECT 2243 2241 CONECT 2244 2241 CONECT 2245 2241 CONECT 2246 2247 2248 2249 2250 CONECT 2247 2246 CONECT 2248 2246 CONECT 2249 2246 CONECT 2250 2246 CONECT 2251 2252 2253 2254 2255 CONECT 2252 2251 CONECT 2253 2251 CONECT 2254 2251 CONECT 2255 2251 MASTER 520 0 9 6 5 0 8 6 1320 2 69 13 END
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Related entries of code: 5b76
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3v43
RCSB PDB
PDBbind
112aa, >3V43_1|Chain... at 98%
5b75
RCSB PDB
PDBbind
131aa, >5B75_1|Chain... *
5b77
RCSB PDB
PDBbind
131aa, >5B77_1|Chain... at 100%
5b78
RCSB PDB
PDBbind
131aa, >5B78_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5b78
RCSB PDB
PDBbind
histone H3 crotonylation at K14, H3(1-25)K14cr
Entry Information
PDB ID
5b76
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
MOZ double PHD finger, MOZDPF
Ligand Name
histone H3 crotonylation at K14, H3(1-25)K14cr
EC.Number
E.C.2.3.1.48
Resolution
1.65(Å)
Affinity (Kd/Ki/IC50)
Kd=5.8uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Nat.Chem.Biol. Vol. 12: pp. 1111-1118
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
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UniProtKB AC
UniProt accession number (AC):
Q92794
K7EMV3
Entrez Gene ID
NCBI Entrez Gene ID:
7994
ASD
Information of known allosteric effects of PDB entries
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