USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 02-MAR-17 5NBJ TITLE DLS TETRAGONAL - REHEWL COMPND MOL_ID: 1; COMPND 2 MOLECULE: LYSOZYME C; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: 1,4-BETA-N-ACETYLMURAMIDASE C,ALLERGEN GAL D IV; COMPND 5 EC: 3.2.1.17; COMPND 6 OTHER_DETAILS: MULTIPLE COORDINATION POSSIBILITIES OF FAC-[RE(CO) COMPND 7 3(H2O)3]+ TO THE HEWL PROTEIN SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; SOURCE 3 ORGANISM_COMMON: CHICKEN; SOURCE 4 ORGANISM_TAXID: 9031 KEYWDS RHENIUM TRICARBONYL, HEN EGG WHITE LYSOZYME, RADIOPHARMACEUTICAL KEYWDS 2 DEVELOPMENT, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR A.BRINK,J.R.HELLIWELL REVDAT 1 10-MAY-17 5NBJ 0 JRNL AUTH A.BRINK,J.R.HELLIWELL JRNL TITL NEW LEADS FOR FRAGMENT-BASED DESIGN OF RHENIUM/TECHNETIUM JRNL TITL 2 RADIOPHARMACEUTICAL AGENTS JRNL REF IUCRJ V. 4 283 2017 JRNL REFN ESSN 2052-2525 JRNL DOI 10.1107/S2052252517003475 REMARK 2 REMARK 2 RESOLUTION. 1.27 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 1.9_1692 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) : 1.27 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 39.95 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.370 REMARK 3 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 3 NUMBER OF REFLECTIONS : 32462 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.173 REMARK 3 R VALUE (WORKING SET) : 0.172 REMARK 3 FREE R VALUE : 0.197 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.050 REMARK 3 FREE R VALUE TEST SET COUNT : 1638 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 39.9649 - 2.8981 1.00 2799 121 0.1762 0.1896 REMARK 3 2 2.8981 - 2.3004 1.00 2616 146 0.1875 0.1986 REMARK 3 3 2.3004 - 2.0096 1.00 2586 136 0.1587 0.1651 REMARK 3 4 2.0096 - 1.8259 1.00 2577 127 0.1575 0.2107 REMARK 3 5 1.8259 - 1.6950 1.00 2528 167 0.1440 0.1953 REMARK 3 6 1.6950 - 1.5951 1.00 2558 136 0.1444 0.1759 REMARK 3 7 1.5951 - 1.5152 1.00 2543 131 0.1548 0.1923 REMARK 3 8 1.5152 - 1.4492 1.00 2540 130 0.1678 0.2099 REMARK 3 9 1.4492 - 1.3934 1.00 2533 133 0.1781 0.2540 REMARK 3 10 1.3934 - 1.3454 1.00 2524 129 0.1998 0.2416 REMARK 3 11 1.3454 - 1.3033 1.00 2518 145 0.2154 0.2801 REMARK 3 12 1.3033 - 1.2660 1.00 2502 137 0.2538 0.2734 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) : 0.150 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 18.450 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 : 0.008 1034 REMARK 3 ANGLE : 1.145 1395 REMARK 3 CHIRALITY : 0.050 145 REMARK 3 PLANARITY : 0.005 184 REMARK 3 DIHEDRAL : 12.300 369 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 5NBJ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 02-MAR-17. REMARK 100 THE DEPOSITION ID IS D_1200003841. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 21-JUL-14 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 4.7 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : DIAMOND REMARK 200 BEAMLINE : I04 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9763 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS 6M-F REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 32463 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.266 REMARK 200 RESOLUTION RANGE LOW (A) : 39.950 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 200 DATA REDUNDANCY : 24.00 REMARK 200 R MERGE (I) : 0.07700 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 20.9000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.27 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.29 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.8 REMARK 200 DATA REDUNDANCY IN SHELL : 20.00 REMARK 200 R MERGE FOR SHELL (I) : 0.02100 REMARK 200 R SYM FOR SHELL (I) : 0.02100 REMARK 200 FOR SHELL : 1.700 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: 2W1Y REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 40.28 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.06 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 10% NACL, NAOAC 0.04 M, PH 4.7, VAPOR REMARK 280 DIFFUSION, SITTING DROP, TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+3/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+1/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+3/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 18.50000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 39.94500 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 39.94500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 27.75000 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 39.94500 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 39.94500 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 9.25000 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 39.94500 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.94500 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 27.75000 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 39.94500 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.94500 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 9.25000 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 18.50000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2560 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 6690 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -133.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 379 LIES ON A SPECIAL POSITION. 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 NA A 211 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 SER A 60 O REMARK 620 2 CYS A 64 O 89.0 REMARK 620 3 SER A 72 OG 88.8 166.2 REMARK 620 4 ARG A 73 O 93.8 91.0 102.8 REMARK 620 5 HOH A 333 O 99.1 87.3 79.6 167.0 REMARK 620 6 HOH A 343 O 172.0 98.5 83.3 89.0 78.5 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 RE A 213 RE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ARG A 61 NE REMARK 620 2 ARG A 61 CZ 29.2 REMARK 620 3 ARG A 61 NH2 57.0 30.7 REMARK 620 N 1 2 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 RE A 204 RE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 119 OD2 REMARK 620 2 ARG A 125 NH2 75.0 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue RE A 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue RE A 202 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue RE A 203 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue RE A 204 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 205 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 206 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue RE A 207 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 208 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue RE A 209 REMARK 800 REMARK 800 SITE_IDENTIFIER: AD1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue RE A 210 REMARK 800 REMARK 800 SITE_IDENTIFIER: AD2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue NA A 211 REMARK 800 REMARK 800 SITE_IDENTIFIER: AD3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue RE A 212 REMARK 800 REMARK 800 SITE_IDENTIFIER: AD4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue RE A 213 REMARK 800 REMARK 800 SITE_IDENTIFIER: AD5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue RE A 214 REMARK 800 REMARK 800 SITE_IDENTIFIER: AD6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 215 REMARK 800 REMARK 800 SITE_IDENTIFIER: AD7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 216 REMARK 800 REMARK 800 SITE_IDENTIFIER: AD8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 217 REMARK 800 REMARK 800 SITE_IDENTIFIER: AD9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 218 REMARK 800 REMARK 800 SITE_IDENTIFIER: AE1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 219 REMARK 800 REMARK 800 SITE_IDENTIFIER: AE2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 220 DBREF 5NBJ A 1 129 UNP P00698 LYSC_CHICK 19 147 SEQRES 1 A 129 LYS VAL PHE GLY ARG CYS GLU LEU ALA ALA ALA MET LYS SEQRES 2 A 129 ARG HIS GLY LEU ASP ASN TYR ARG GLY TYR SER LEU GLY SEQRES 3 A 129 ASN TRP VAL CYS ALA ALA LYS PHE GLU SER ASN PHE ASN SEQRES 4 A 129 THR GLN ALA THR ASN ARG ASN THR ASP GLY SER THR ASP SEQRES 5 A 129 TYR GLY ILE LEU GLN ILE ASN SER ARG TRP TRP CYS ASN SEQRES 6 A 129 ASP GLY ARG THR PRO GLY SER ARG ASN LEU CYS ASN ILE SEQRES 7 A 129 PRO CYS SER ALA LEU LEU SER SER ASP ILE THR ALA SER SEQRES 8 A 129 VAL ASN CYS ALA LYS LYS ILE VAL SER ASP GLY ASN GLY SEQRES 9 A 129 MET ASN ALA TRP VAL ALA TRP ARG ASN ARG CYS LYS GLY SEQRES 10 A 129 THR ASP VAL GLN ALA TRP ILE ARG GLY CYS ARG LEU HET RE A 201 1 HET RE A 202 1 HET RE A 203 1 HET RE A 204 1 HET CL A 205 1 HET CL A 206 1 HET RE A 207 1 HET CL A 208 1 HET RE A 209 1 HET RE A 210 1 HET NA A 211 1 HET RE A 212 1 HET RE A 213 1 HET RE A 214 1 HET CL A 215 1 HET CL A 216 1 HET CL A 217 1 HET CL A 218 1 HET CL A 219 1 HET CL A 220 1 HETNAM RE RHENIUM HETNAM CL CHLORIDE ION HETNAM NA SODIUM ION FORMUL 2 RE 10(RE) FORMUL 6 CL 9(CL 1-) FORMUL 12 NA NA 1+ FORMUL 22 HOH *80(H2 O) HELIX 1 AA1 GLY A 4 HIS A 15 1 12 HELIX 2 AA2 ASN A 19 TYR A 23 5 5 HELIX 3 AA3 SER A 24 ASN A 37 1 14 HELIX 4 AA4 PRO A 79 SER A 85 5 7 HELIX 5 AA5 ILE A 88 SER A 100 1 13 HELIX 6 AA6 ASN A 103 ALA A 107 5 5 HELIX 7 AA7 TRP A 108 CYS A 115 1 8 HELIX 8 AA8 ASP A 119 ILE A 124 5 6 SHEET 1 AA1 3 THR A 43 ARG A 45 0 SHEET 2 AA1 3 THR A 51 TYR A 53 -1 O ASP A 52 N ASN A 44 SHEET 3 AA1 3 ILE A 58 ASN A 59 -1 O ILE A 58 N TYR A 53 SSBOND *** CYS A 6 CYS A 127 1555 1555 2.03 SSBOND *** CYS A 30 CYS A 115 1555 1555 2.05 SSBOND *** CYS A 64 CYS A 80 1555 1555 2.05 SSBOND *** CYS A 76 CYS A 94 1555 1555 2.04 LINK NE2 HIS A 15 RE RE A 201 1555 1555 2.19 LINK OD2 ASP A 18 RE RE A 207 1555 1555 2.12 LINK OE1 GLU A 35 RE RE A 210 1555 1555 2.77 LINK OD2 ASP A 52 RE RE A 212 1555 1555 2.06 LINK O SER A 60 NA NA A 211 1555 1555 2.34 LINK NE ARG A 61 RE RE A 213 1555 1555 2.69 LINK CZ ARG A 61 RE RE A 213 1555 1555 2.56 LINK NH2 ARG A 61 RE RE A 213 1555 1555 1.98 LINK O CYS A 64 NA NA A 211 1555 1555 2.46 LINK OG SER A 72 NA NA A 211 1555 1555 2.49 LINK O ARG A 73 NA NA A 211 1555 1555 2.44 LINK OD2 ASP A 119 RE RE A 204 1555 1555 2.58 LINK NH2 ARG A 125 RE RE A 204 1555 1555 2.21 LINK O LEU A 129 RE RE A 209 1555 1555 2.47 LINK NA NA A 211 O HOH A 333 1555 1555 2.48 LINK NA NA A 211 O HOH A 343 1555 1555 2.41 SITE *** AC1 1 HIS A 15 SITE *** AC2 2 LEU A 129 RE A 203 SITE *** AC3 2 LEU A 129 RE A 202 SITE *** AC4 3 ASP A 119 GLN A 121 ARG A 125 SITE *** AC5 3 ARG A 5 CL A 219 HOH A 307 SITE *** AC6 5 ASN A 65 GLY A 67 ARG A 68 THR A 69 SITE *** AC6 5 SER A 72 SITE *** AC7 1 ASP A 18 SITE *** AC8 2 TYR A 23 ASN A 113 SITE *** AC9 2 LYS A 13 LEU A 129 SITE *** AD1 1 GLU A 35 SITE *** AD2 6 SER A 60 CYS A 64 SER A 72 ARG A 73 SITE *** AD2 6 HOH A 333 HOH A 343 SITE *** AD3 1 ASP A 52 SITE *** AD4 2 ARG A 61 PRO A 70 SITE *** AD5 1 GLU A 7 SITE *** AD6 3 SER A 24 GLY A 26 GLN A 121 SITE *** AD7 3 ASN A 65 PRO A 79 HOH A 355 SITE *** AD8 4 ALA A 42 ASN A 44 ARG A 68 HOH A 329 SITE *** AD9 2 ARG A 73 ASN A 74 SITE *** AE1 1 CL A 205 SITE *** AE2 5 ARG A 114 GLY A 117 HOH A 344 HOH A 366 SITE *** AE2 5 HOH A 371 CRYST1 79.890 79.890 37.000 90.00 90.00 90.00 P 43 21 2 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.012517 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012517 0.000000 0.00000 SCALE3 0.000000 0.000000 0.027027 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 15 HIS HE2 : A 15 HIS NE2 : A 201 RERE :(H bumps) USER MOD NoAdj-H: A 61 ARGHH21 : A 61 ARG NH2 : A 213 RERE :(H bumps) USER MOD Set 1.1: A 106 ASN : amide:sc= 0.3 K(o=1,f=-2.9) USER MOD Set 1.2: A 116 LYS NZ :NH3+ -179:sc= 0.704 (180deg=0.409) USER MOD Set 2.1: A 60 SER OG : rot 129:sc= 1.12 USER MOD Set 2.2: A 69 THR OG1 : rot 77:sc= 1.9 USER MOD Set 3.1: A 44 ASN A: amide:sc= -0.938 K(o=0.05,f=-1.4) USER MOD Set 3.2: A 57 GLN : amide:sc= 0.988 K(o=0.05,f=-2.1) USER MOD Set 4.1: A 44 ASN B: amide:sc= 0 X(o=2.7,f=2.6) USER MOD Set 4.2: A 46 ASN : amide:sc= -0.542 K(o=2.7,f=0.41) USER MOD Set 4.3: A 50 SER OG : rot -70:sc= 1.84 USER MOD Set 4.4: A 59 ASN : amide:sc= 1.42 K(o=2.7,f=-4.3!) USER MOD Set 5.1: A 1 LYS N :NH3+ 180:sc= 2.38 (180deg=1.72) USER MOD Set 5.2: A 40 THR OG1 : rot 100:sc= 0.612 USER MOD Set 6.1: A 33 LYS NZ :NH3+ 174:sc= 1.19 (180deg=0) USER MOD Set 6.2: A 37 ASN : amide:sc= 1.16 K(o=2.4,f=-7.7!) USER MOD Set 7.1: A 24 SER OG : rot 119:sc= 1.49 USER MOD Set 7.2: A 27 ASN : amide:sc= 0.436 K(o=1.9,f=-2.8!) USER MOD Set 8.1: A 20 TYR OH : rot 180:sc= 0 USER MOD Set 8.2: A 100 SER OG : rot 91:sc= 0.962 USER MOD Single : A 1 LYS NZ :NH3+ 159:sc= 1.12 (180deg=0.901) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= 1.3 (180deg=1.14) USER MOD Single : A 19 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.6!) USER MOD Single : A 23 TYR OH : rot 129:sc= 1.67 USER MOD Single : A 36 SER OG : rot -117:sc= 0.287 USER MOD Single : A 39 ASN : amide:sc= 1.25 K(o=1.2,f=-4.8!) USER MOD Single : A 41 GLN : amide:sc= 0.31 X(o=0.31,f=0.63) USER MOD Single : A 43 THR OG1 : rot -71:sc= 2.05 USER MOD Single : A 47 THR OG1 : rot 14:sc= -0.0155 USER MOD Single : A 51 THR OG1 : rot 82:sc= 2.33 USER MOD Single : A 53 TYR OH : rot 10:sc= 1.31 USER MOD Single : A 65 ASN : amide:sc= 1.68 K(o=1.7,f=0.22) USER MOD Single : A 74 ASN : amide:sc= -0.527 K(o=-0.53,f=-6.2!) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 111:sc= 0.0604 USER MOD Single : A 86 SER OG : rot -108:sc= 0.0484 USER MOD Single : A 89 THR OG1 : rot 100:sc= 0.73 USER MOD Single : A 91 SER OG : rot 79:sc= 1.32 USER MOD Single : A 93 ASN : amide:sc= 1.03 K(o=1,f=-1.2) USER MOD Single : A 96 LYS NZ :NH3+ -148:sc= 0.813 (180deg=0.346) USER MOD Single : A 97 LYS NZ :NH3+ -127:sc= 0.153 (180deg=-1.1) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl 168:sc= -0.0105 (180deg=-0.137) USER MOD Single : A 113 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.1) USER MOD Single : A 118 THR OG1 : rot -70:sc= 2.18 USER MOD Single : A 121 GLN : amide:sc= -4! C(o=-4!,f=-18!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 4.001 10.913 9.751 1.00 19.81 N ANISOU 1 N LYS A 1 2069 3031 2428 175 -270 -715 N ATOM 2 CA LYS A 1 3.114 11.317 8.666 1.00 19.69 C ANISOU 2 CA LYS A 1 2164 2910 2405 10 -162 -769 C ATOM 3 C LYS A 1 3.144 12.827 8.457 1.00 18.07 C ANISOU 3 C LYS A 1 2142 2910 1812 13 87 -553 C ATOM 4 O LYS A 1 3.109 13.581 9.428 1.00 17.56 O ANISOU 4 O LYS A 1 2198 2815 1660 -45 -312 -378 O ATOM 5 CB LYS A 1 1.690 10.851 8.965 1.00 21.23 C ANISOU 5 CB LYS A 1 2269 3066 2732 75 -254 -960 C ATOM 6 CG LYS A 1 0.628 11.433 8.055 1.00 21.75 C ANISOU 6 CG LYS A 1 2192 3237 2833 -63 -458 -988 C ATOM 7 CD LYS A 1 -0.716 10.800 8.350 1.00 22.92 C ANISOU 7 CD LYS A 1 2126 3309 3275 -111 -437 -561 C ATOM 8 CE LYS A 1 -1.823 11.375 7.498 1.00 23.97 C ANISOU 8 CE LYS A 1 2328 3493 3287 -195 -389 -467 C ATOM 9 NZ LYS A 1 -3.088 10.652 7.776 1.00 26.41 N ANISOU 9 NZ LYS A 1 2789 3625 3620 -327 -750 -707 N ATOM 0 H1 LYS A 1 3.964 10.029 9.851 1.00 19.81 H new ATOM 0 H2 LYS A 1 4.836 11.155 9.558 1.00 19.81 H new ATOM 0 H3 LYS A 1 3.745 11.308 10.507 1.00 19.81 H new ATOM 0 HA LYS A 1 3.424 10.900 7.847 1.00 19.69 H new ATOM 0 HB2 LYS A 1 1.659 9.884 8.900 1.00 21.23 H new ATOM 0 HB3 LYS A 1 1.474 11.081 9.882 1.00 21.23 H new ATOM 0 HG2 LYS A 1 0.575 12.393 8.181 1.00 21.75 H new ATOM 0 HG3 LYS A 1 0.868 11.281 7.128 1.00 21.75 H new ATOM 0 HD2 LYS A 1 -0.660 9.843 8.200 1.00 22.92 H new ATOM 0 HD3 LYS A 1 -0.932 10.928 9.287 1.00 22.92 H new ATOM 0 HE2 LYS A 1 -1.931 12.320 7.686 1.00 23.97 H new ATOM 0 HE3 LYS A 1 -1.595 11.297 6.558 1.00 23.97 H new ATOM 0 HZ1 LYS A 1 -3.779 11.156 7.529 1.00 26.41 H new ATOM 0 HZ2 LYS A 1 -3.100 9.888 7.320 1.00 26.41 H new ATOM 0 HZ3 LYS A 1 -3.145 10.478 8.647 1.00 26.41 H new ATOM 10 N VAL A 2 3.226 13.258 7.202 1.00 18.83 N ANISOU 10 N VAL A 2 2038 3171 1945 151 -104 -618 N ATOM 11 CA VAL A 2 3.074 14.669 6.886 1.00 18.39 C ANISOU 11 CA VAL A 2 2034 3392 1562 166 -268 -480 C ATOM 12 C VAL A 2 1.663 14.904 6.353 1.00 18.39 C ANISOU 12 C VAL A 2 2093 3530 1363 186 -441 -653 C ATOM 13 O VAL A 2 1.324 14.469 5.249 1.00 19.90 O ANISOU 13 O VAL A 2 2249 3751 1563 252 -421 -845 O ATOM 14 CB VAL A 2 4.133 15.159 5.867 1.00 18.82 C ANISOU 14 CB VAL A 2 2097 3488 1567 203 33 -490 C ATOM 15 CG1 VAL A 2 3.885 16.612 5.504 1.00 19.76 C ANISOU 15 CG1 VAL A 2 2312 3657 1541 152 -97 -469 C ATOM 16 CG2 VAL A 2 5.547 14.980 6.430 1.00 18.88 C ANISOU 16 CG2 VAL A 2 1937 3454 1782 199 116 -596 C ATOM 0 H VAL A 2 3.369 12.750 6.523 1.00 18.83 H new ATOM 0 HA VAL A 2 3.214 15.183 7.697 1.00 18.39 H new ATOM 0 HB VAL A 2 4.055 14.623 5.063 1.00 18.82 H new ATOM 0 HG11 VAL A 2 4.554 16.905 4.866 1.00 19.76 H new ATOM 0 HG12 VAL A 2 3.003 16.701 5.110 1.00 19.76 H new ATOM 0 HG13 VAL A 2 3.939 17.159 6.303 1.00 19.76 H new ATOM 0 HG21 VAL A 2 6.196 15.291 5.780 1.00 18.88 H new ATOM 0 HG22 VAL A 2 5.637 15.494 7.248 1.00 18.88 H new ATOM 0 HG23 VAL A 2 5.704 14.042 6.619 1.00 18.88 H new ATOM 17 N PHE A 3 0.843 15.584 7.153 1.00 18.76 N ANISOU 17 N PHE A 3 2050 3491 1585 277 -341 -760 N ATOM 18 CA PHE A 3 -0.542 15.885 6.775 1.00 18.35 C ANISOU 18 CA PHE A 3 2047 3582 1345 198 -400 -351 C ATOM 19 C PHE A 3 -0.603 16.963 5.711 1.00 19.18 C ANISOU 19 C PHE A 3 2122 3787 1381 264 -373 -285 C ATOM 20 O PHE A 3 0.224 17.876 5.720 1.00 19.07 O ANISOU 20 O PHE A 3 2201 3629 1415 344 -381 -228 O ATOM 21 CB PHE A 3 -1.334 16.376 7.977 1.00 19.48 C ANISOU 21 CB PHE A 3 2046 3455 1902 81 -397 -688 C ATOM 22 CG PHE A 3 -1.893 15.296 8.840 1.00 18.87 C ANISOU 22 CG PHE A 3 2028 3388 1754 -321 -370 -940 C ATOM 23 CD1 PHE A 3 -1.109 14.662 9.785 1.00 19.62 C ANISOU 23 CD1 PHE A 3 2154 3425 1877 -411 -212 -746 C ATOM 24 CD2 PHE A 3 -3.229 14.946 8.745 1.00 20.20 C ANISOU 24 CD2 PHE A 3 2071 3409 2194 -290 -64 -1033 C ATOM 25 CE1 PHE A 3 -1.641 13.687 10.605 1.00 20.55 C ANISOU 25 CE1 PHE A 3 2150 3351 2307 -473 -115 -712 C ATOM 26 CE2 PHE A 3 -3.769 13.961 9.563 1.00 19.37 C ANISOU 26 CE2 PHE A 3 2043 3373 1942 -305 -59 -1193 C ATOM 27 CZ PHE A 3 -2.970 13.338 10.496 1.00 19.99 C ANISOU 27 CZ PHE A 3 2121 3328 2146 -299 -56 -1033 C ATOM 0 H PHE A 3 1.070 15.883 7.927 1.00 18.76 H new ATOM 0 HA PHE A 3 -0.923 15.062 6.431 1.00 18.35 H new ATOM 0 HB2 PHE A 3 -0.760 16.941 8.518 1.00 19.48 H new ATOM 0 HB3 PHE A 3 -2.064 16.932 7.662 1.00 19.48 H new ATOM 0 HD1 PHE A 3 -0.213 14.895 9.870 1.00 19.62 H new ATOM 0 HD2 PHE A 3 -3.773 15.376 8.125 1.00 20.20 H new ATOM 0 HE1 PHE A 3 -1.101 13.264 11.233 1.00 20.55 H new ATOM 0 HE2 PHE A 3 -4.665 13.724 9.481 1.00 19.37 H new ATOM 0 HZ PHE A 3 -3.327 12.683 11.052 1.00 19.99 H new ATOM 28 N GLY A 4 -1.589 16.876 4.824 1.00 21.29 N ANISOU 28 N GLY A 4 2224 3995 1871 337 -721 -320 N ATOM 29 CA GLY A 4 -1.967 18.031 4.046 1.00 21.54 C ANISOU 29 CA GLY A 4 2190 4007 1985 282 -656 -209 C ATOM 30 C GLY A 4 -2.763 18.984 4.934 1.00 20.78 C ANISOU 30 C GLY A 4 2181 3950 1765 326 -794 -234 C ATOM 31 O GLY A 4 -3.317 18.586 5.962 1.00 21.01 O ANISOU 31 O GLY A 4 2223 3852 1906 190 -615 -172 O ATOM 0 H GLY A 4 -2.043 16.163 4.664 1.00 21.29 H new ATOM 0 HA2 GLY A 4 -1.177 18.475 3.700 1.00 21.54 H new ATOM 0 HA3 GLY A 4 -2.499 17.761 3.281 1.00 21.54 H new ATOM 32 N ARG A 5 -2.797 20.252 4.548 1.00 21.96 N ANISOU 32 N ARG A 5 2204 3996 2143 415 -853 -49 N ATOM 33 CA ARG A 5 -3.514 21.291 5.281 1.00 23.19 C ANISOU 33 CA ARG A 5 2356 4020 2436 207 -949 -267 C ATOM 34 C ARG A 5 -4.986 20.962 5.568 1.00 22.08 C ANISOU 34 C ARG A 5 2255 4060 2074 114 -907 -399 C ATOM 35 O ARG A 5 -5.426 20.995 6.721 1.00 21.20 O ANISOU 35 O ARG A 5 2213 4028 1814 69 -741 -408 O ATOM 36 CB ARG A 5 -3.429 22.606 4.499 1.00 24.45 C ANISOU 36 CB ARG A 5 2672 3971 2649 129 -435 15 C ATOM 37 CG ARG A 5 -4.182 23.762 5.127 1.00 25.59 C ANISOU 37 CG ARG A 5 2834 4057 2832 -53 -65 -182 C ATOM 38 CD ARG A 5 -3.993 25.077 4.351 1.00 25.93 C ANISOU 38 CD ARG A 5 3102 4157 2592 -118 -570 -143 C ATOM 39 NE ARG A 5 -4.471 25.045 2.968 1.00 26.30 N ANISOU 39 NE ARG A 5 3289 4369 2335 -140 -726 -219 N ATOM 40 CZ ARG A 5 -5.721 25.309 2.603 1.00 28.13 C ANISOU 40 CZ ARG A 5 3495 4550 2643 41 -862 -472 C ATOM 41 NH1 ARG A 5 -6.641 25.598 3.518 1.00 27.55 N ANISOU 41 NH1 ARG A 5 3376 4548 2544 -60 -825 -508 N ATOM 42 NH2 ARG A 5 -6.062 25.266 1.320 1.00 29.19 N ANISOU 42 NH2 ARG A 5 3621 4684 2785 235 -1205 -431 N ATOM 0 H ARG A 5 -2.399 20.540 3.842 1.00 21.96 H new ATOM 0 HA ARG A 5 -3.082 21.362 6.147 1.00 23.19 H new ATOM 0 HB2 ARG A 5 -2.496 22.855 4.407 1.00 24.45 H new ATOM 0 HB3 ARG A 5 -3.773 22.459 3.604 1.00 24.45 H new ATOM 0 HG2 ARG A 5 -5.127 23.546 5.166 1.00 25.59 H new ATOM 0 HG3 ARG A 5 -3.880 23.883 6.041 1.00 25.59 H new ATOM 0 HD2 ARG A 5 -4.455 25.787 4.824 1.00 25.93 H new ATOM 0 HD3 ARG A 5 -3.050 25.305 4.349 1.00 25.93 H new ATOM 0 HE ARG A 5 -3.906 24.842 2.352 1.00 26.30 H new ATOM 0 HH11 ARG A 5 -6.428 25.615 4.351 1.00 27.55 H new ATOM 0 HH12 ARG A 5 -7.449 25.768 3.277 1.00 27.55 H new ATOM 0 HH21 ARG A 5 -5.474 25.067 0.725 1.00 29.19 H new ATOM 0 HH22 ARG A 5 -6.871 25.437 1.084 1.00 29.19 H new ATOM 43 N CYS A 6 -5.750 20.649 4.529 1.00 22.95 N ANISOU 43 N CYS A 6 2285 4320 2117 72 -869 -515 N ATOM 44 CA CYS A 6 -7.168 20.367 4.740 1.00 24.82 C ANISOU 44 CA CYS A 6 2402 4586 2440 150 -1167 -407 C ATOM 45 C CYS A 6 -7.389 19.018 5.434 1.00 24.34 C ANISOU 45 C CYS A 6 2236 4422 2589 -11 -1114 -574 C ATOM 46 O CYS A 6 -8.338 18.866 6.207 1.00 23.77 O ANISOU 46 O CYS A 6 1940 4576 2515 -217 -804 -636 O ATOM 47 CB CYS A 6 -7.926 20.418 3.417 1.00 26.93 C ANISOU 47 CB CYS A 6 2708 4936 2589 532 -1327 -398 C ATOM 48 SG CYS A 6 -8.109 22.092 2.740 1.00 28.58 S ANISOU 48 SG CYS A 6 2910 5439 2511 743 -1234 -353 S ATOM 0 H CYS A 6 -5.479 20.595 3.715 1.00 22.95 H new ATOM 0 HA CYS A 6 -7.515 21.055 5.329 1.00 24.82 H new ATOM 0 HB2 CYS A 6 -7.464 19.865 2.768 1.00 26.93 H new ATOM 0 HB3 CYS A 6 -8.807 20.032 3.544 1.00 26.93 H new ATOM 49 N GLU A 7 -6.506 18.057 5.170 1.00 23.45 N ANISOU 49 N GLU A 7 2543 4085 2283 67 -1164 -693 N ATOM 50 CA GLU A 7 -6.552 16.760 5.839 1.00 23.03 C ANISOU 50 CA GLU A 7 2635 3886 2230 19 -947 -855 C ATOM 51 C GLU A 7 -6.395 16.916 7.354 1.00 21.15 C ANISOU 51 C GLU A 7 2271 3758 2006 -386 -778 -668 C ATOM 52 O GLU A 7 -7.111 16.284 8.136 1.00 23.10 O ANISOU 52 O GLU A 7 2273 3948 2555 -693 -455 -906 O ATOM 53 CB GLU A 7 -5.451 15.843 5.290 1.00 24.92 C ANISOU 53 CB GLU A 7 2952 3894 2624 148 -1021 -900 C ATOM 54 CG GLU A 7 -5.432 14.437 5.873 1.00 27.47 C ANISOU 54 CG GLU A 7 3316 3953 3169 -14 -1246 -921 C ATOM 55 CD GLU A 7 -4.203 13.645 5.445 1.00 28.84 C ANISOU 55 CD GLU A 7 3727 4065 3166 -24 -1304 -714 C ATOM 56 OE1 GLU A 7 -3.190 14.267 5.042 1.00 29.25 O ANISOU 56 OE1 GLU A 7 3948 4067 3099 14 -1243 -477 O ATOM 57 OE2 GLU A 7 -4.236 12.394 5.520 1.00 31.17 O ANISOU 57 OE2 GLU A 7 3845 4196 3802 28 -1441 -507 O ATOM 0 H GLU A 7 -5.867 18.138 4.601 1.00 23.45 H new ATOM 0 HA GLU A 7 -7.418 16.361 5.662 1.00 23.03 H new ATOM 0 HB2 GLU A 7 -5.554 15.778 4.328 1.00 24.92 H new ATOM 0 HB3 GLU A 7 -4.590 16.259 5.456 1.00 24.92 H new ATOM 0 HG2 GLU A 7 -5.457 14.491 6.841 1.00 27.47 H new ATOM 0 HG3 GLU A 7 -6.231 13.964 5.594 1.00 27.47 H new ATOM 58 N LEU A 8 -5.451 17.756 7.768 1.00 18.62 N ANISOU 58 N LEU A 8 1958 3438 1678 -397 -724 -538 N ATOM 59 CA LEU A 8 -5.238 18.005 9.195 1.00 18.20 C ANISOU 59 CA LEU A 8 1844 3218 1855 -463 -282 -545 C ATOM 60 C LEU A 8 -6.420 18.775 9.788 1.00 17.96 C ANISOU 60 C LEU A 8 1732 3236 1857 -433 -256 -582 C ATOM 61 O LEU A 8 -6.853 18.501 10.909 1.00 18.08 O ANISOU 61 O LEU A 8 1764 3206 1901 -536 21 -477 O ATOM 62 CB LEU A 8 -3.932 18.772 9.441 1.00 17.30 C ANISOU 62 CB LEU A 8 1943 3034 1597 -387 -288 -450 C ATOM 63 CG LEU A 8 -3.615 18.937 10.917 1.00 17.72 C ANISOU 63 CG LEU A 8 1994 2981 1758 -371 -450 -360 C ATOM 64 CD1 LEU A 8 -3.405 17.587 11.622 1.00 17.57 C ANISOU 64 CD1 LEU A 8 2157 3016 1501 -160 -684 -162 C ATOM 65 CD2 LEU A 8 -2.377 19.812 11.046 1.00 17.54 C ANISOU 65 CD2 LEU A 8 1936 3024 1706 -682 -325 -401 C ATOM 0 H LEU A 8 -4.925 18.190 7.244 1.00 18.62 H new ATOM 0 HA LEU A 8 -5.169 17.144 9.636 1.00 18.20 H new ATOM 0 HB2 LEU A 8 -3.201 18.304 9.008 1.00 17.30 H new ATOM 0 HB3 LEU A 8 -3.993 19.647 9.028 1.00 17.30 H new ATOM 0 HG LEU A 8 -4.372 19.357 11.354 1.00 17.72 H new ATOM 0 HD11 LEU A 8 -3.206 17.739 12.559 1.00 17.57 H new ATOM 0 HD12 LEU A 8 -4.211 17.053 11.546 1.00 17.57 H new ATOM 0 HD13 LEU A 8 -2.665 17.116 11.207 1.00 17.57 H new ATOM 0 HD21 LEU A 8 -2.159 19.929 11.984 1.00 17.54 H new ATOM 0 HD22 LEU A 8 -1.632 19.388 10.592 1.00 17.54 H new ATOM 0 HD23 LEU A 8 -2.549 20.678 10.645 1.00 17.54 H new ATOM 66 N ALA A 9 -6.940 19.742 9.043 1.00 18.51 N ANISOU 66 N ALA A 9 1709 3246 2078 -314 -371 -412 N ATOM 67 CA ALA A 9 -8.099 20.503 9.517 1.00 19.89 C ANISOU 67 CA ALA A 9 1774 3333 2450 -363 -450 -336 C ATOM 68 C ALA A 9 -9.267 19.567 9.834 1.00 21.13 C ANISOU 68 C ALA A 9 1997 3408 2622 -550 -445 -899 C ATOM 69 O ALA A 9 -9.893 19.652 10.897 1.00 21.51 O ANISOU 69 O ALA A 9 2148 3435 2589 -618 -320 -808 O ATOM 70 CB ALA A 9 -8.513 21.553 8.491 1.00 21.24 C ANISOU 70 CB ALA A 9 1812 3402 2857 -382 -491 -77 C ATOM 0 H ALA A 9 -6.645 19.974 8.269 1.00 18.51 H new ATOM 0 HA ALA A 9 -7.847 20.961 10.334 1.00 19.89 H new ATOM 0 HB1 ALA A 9 -9.280 22.045 8.823 1.00 21.24 H new ATOM 0 HB2 ALA A 9 -7.777 22.166 8.340 1.00 21.24 H new ATOM 0 HB3 ALA A 9 -8.746 21.116 7.657 1.00 21.24 H new ATOM 71 N ALA A 10 -9.546 18.656 8.916 1.00 21.02 N ANISOU 71 N ALA A 10 2063 3536 2387 -748 -637 -909 N ATOM 72 CA ALA A 10 -10.609 17.687 9.127 1.00 22.88 C ANISOU 72 CA ALA A 10 2237 3782 2673 -901 -606 -1008 C ATOM 73 C ALA A 10 -10.329 16.770 10.316 1.00 24.03 C ANISOU 73 C ALA A 10 2281 3866 2982 -1012 -597 -1066 C ATOM 74 O ALA A 10 -11.235 16.484 11.111 1.00 24.78 O ANISOU 74 O ALA A 10 2337 4163 2915 -1044 -292 -860 O ATOM 75 CB ALA A 10 -10.823 16.854 7.860 1.00 23.70 C ANISOU 75 CB ALA A 10 2406 3891 2707 -719 -533 -1197 C ATOM 0 H ALA A 10 -9.133 18.581 8.165 1.00 21.02 H new ATOM 0 HA ALA A 10 -11.416 18.185 9.329 1.00 22.88 H new ATOM 0 HB1 ALA A 10 -11.534 16.211 8.011 1.00 23.70 H new ATOM 0 HB2 ALA A 10 -11.067 17.439 7.126 1.00 23.70 H new ATOM 0 HB3 ALA A 10 -10.004 16.384 7.639 1.00 23.70 H new ATOM 76 N ALA A 11 -9.089 16.299 10.442 1.00 23.29 N ANISOU 76 N ALA A 11 2395 3588 2867 -946 -435 -1058 N ATOM 77 CA ALA A 11 -8.739 15.387 11.522 1.00 23.22 C ANISOU 77 CA ALA A 11 2449 3414 2960 -986 -293 -988 C ATOM 78 C ALA A 11 -8.854 16.099 12.861 1.00 21.31 C ANISOU 78 C ALA A 11 2389 3256 2453 -1148 -252 -892 C ATOM 79 O ALA A 11 -9.376 15.552 13.828 1.00 22.88 O ANISOU 79 O ALA A 11 2445 3343 2906 -1009 188 -643 O ATOM 80 CB ALA A 11 -7.334 14.822 11.324 1.00 22.83 C ANISOU 80 CB ALA A 11 2523 3459 2692 -916 -276 -927 C ATOM 0 H ALA A 11 -8.440 16.496 9.913 1.00 23.29 H new ATOM 0 HA ALA A 11 -9.360 14.642 11.513 1.00 23.22 H new ATOM 0 HB1 ALA A 11 -7.122 14.218 12.053 1.00 22.83 H new ATOM 0 HB2 ALA A 11 -7.295 14.339 10.483 1.00 22.83 H new ATOM 0 HB3 ALA A 11 -6.692 15.549 11.309 1.00 22.83 H new ATOM 81 N MET A 12 -8.389 17.342 12.917 1.00 20.23 N ANISOU 81 N MET A 12 2389 3208 2089 -969 -80 -805 N ATOM 82 CA MET A 12 -8.490 18.115 14.143 1.00 18.83 C ANISOU 82 CA MET A 12 2061 3021 2074 -847 -172 -596 C ATOM 83 C MET A 12 -9.944 18.372 14.519 1.00 19.89 C ANISOU 83 C MET A 12 2045 3193 2321 -770 -264 -803 C ATOM 84 O MET A 12 -10.302 18.345 15.694 1.00 20.40 O ANISOU 84 O MET A 12 2131 3223 2397 -714 -286 -498 O ATOM 85 CB MET A 12 -7.720 19.430 13.993 1.00 18.75 C ANISOU 85 CB MET A 12 1944 2822 2356 -617 -90 -264 C ATOM 86 CG MET A 12 -6.222 19.251 14.096 1.00 17.89 C ANISOU 86 CG MET A 12 1885 2681 2231 -477 -121 -253 C ATOM 87 SD MET A 12 -5.374 20.813 13.877 1.00 16.44 S ANISOU 87 SD MET A 12 2025 2432 1790 -429 104 -223 S ATOM 88 CE MET A 12 -3.861 20.478 14.795 1.00 16.37 C ANISOU 88 CE MET A 12 2037 2438 1746 -299 -516 -83 C ATOM 0 H MET A 12 -8.014 17.752 12.260 1.00 20.23 H new ATOM 0 HA MET A 12 -8.094 17.601 14.864 1.00 18.83 H new ATOM 0 HB2 MET A 12 -7.935 19.829 13.135 1.00 18.75 H new ATOM 0 HB3 MET A 12 -8.014 20.052 14.677 1.00 18.75 H new ATOM 0 HG2 MET A 12 -5.996 18.875 14.961 1.00 17.89 H new ATOM 0 HG3 MET A 12 -5.921 18.619 13.425 1.00 17.89 H new ATOM 0 HE1 MET A 12 -3.284 21.257 14.765 1.00 16.37 H new ATOM 0 HE2 MET A 12 -4.080 20.275 15.718 1.00 16.37 H new ATOM 0 HE3 MET A 12 -3.402 19.721 14.398 1.00 16.37 H new ATOM 89 N LYS A 13 -10.786 18.612 13.524 1.00 21.26 N ANISOU 89 N LYS A 13 1898 3335 2847 -758 -99 -829 N ATOM 90 CA LYS A 13 -12.198 18.824 13.803 1.00 21.78 C ANISOU 90 CA LYS A 13 1963 3445 2869 -955 -464 -609 C ATOM 91 C LYS A 13 -12.842 17.534 14.334 1.00 23.51 C ANISOU 91 C LYS A 13 2221 3537 3174 -1151 -362 -575 C ATOM 92 O LYS A 13 -13.594 17.558 15.311 1.00 23.96 O ANISOU 92 O LYS A 13 2233 3715 3153 -1226 54 -354 O ATOM 93 CB LYS A 13 -12.912 19.326 12.549 1.00 21.69 C ANISOU 93 CB LYS A 13 1906 3432 2903 -797 -557 -341 C ATOM 94 CG LYS A 13 -14.358 19.715 12.778 1.00 22.79 C ANISOU 94 CG LYS A 13 1923 3395 3340 -464 -534 -323 C ATOM 95 CD LYS A 13 -14.937 20.263 11.503 1.00 24.36 C ANISOU 95 CD LYS A 13 2019 3502 3733 -232 -365 -82 C ATOM 96 CE LYS A 13 -16.370 20.656 11.709 1.00 28.21 C ANISOU 96 CE LYS A 13 2455 3719 4546 -85 -286 279 C ATOM 97 NZ LYS A 13 -16.949 21.183 10.457 1.00 31.38 N ANISOU 97 NZ LYS A 13 2928 3869 5128 21 -89 291 N ATOM 0 H LYS A 13 -10.566 18.656 12.694 1.00 21.26 H new ATOM 0 HA LYS A 13 -12.285 19.502 14.491 1.00 21.78 H new ATOM 0 HB2 LYS A 13 -12.432 20.093 12.200 1.00 21.69 H new ATOM 0 HB3 LYS A 13 -12.876 18.635 11.869 1.00 21.69 H new ATOM 0 HG2 LYS A 13 -14.868 18.944 13.071 1.00 22.79 H new ATOM 0 HG3 LYS A 13 -14.417 20.379 13.483 1.00 22.79 H new ATOM 0 HD2 LYS A 13 -14.423 21.032 11.211 1.00 24.36 H new ATOM 0 HD3 LYS A 13 -14.875 19.597 10.800 1.00 24.36 H new ATOM 0 HE2 LYS A 13 -16.881 19.888 12.010 1.00 28.21 H new ATOM 0 HE3 LYS A 13 -16.429 21.327 12.407 1.00 28.21 H new ATOM 0 HZ1 LYS A 13 -17.703 21.620 10.639 1.00 31.38 H new ATOM 0 HZ2 LYS A 13 -16.370 21.739 10.073 1.00 31.38 H new ATOM 0 HZ3 LYS A 13 -17.124 20.508 9.904 1.00 31.38 H new ATOM 98 N ARG A 14 -12.522 16.405 13.710 1.00 24.13 N ANISOU 98 N ARG A 14 2524 3536 3108 -1207 -594 -697 N ATOM 99 CA ARG A 14 -13.071 15.129 14.158 1.00 26.56 C ANISOU 99 CA ARG A 14 2718 3729 3645 -1383 -519 -698 C ATOM 100 C ARG A 14 -12.629 14.842 15.597 1.00 25.58 C ANISOU 100 C ARG A 14 2599 3715 3404 -1384 -387 -541 C ATOM 101 O ARG A 14 -13.363 14.203 16.362 1.00 26.86 O ANISOU 101 O ARG A 14 2637 3922 3646 -1443 -446 -245 O ATOM 102 CB ARG A 14 -12.636 14.007 13.215 1.00 29.88 C ANISOU 102 CB ARG A 14 3140 3970 4244 -1751 -450 -990 C ATOM 103 CG ARG A 14 -13.054 12.598 13.630 1.00 35.05 C ANISOU 103 CG ARG A 14 3705 4511 5100 -1890 -444 -1206 C ATOM 104 CD ARG A 14 -14.313 12.091 12.929 1.00 38.71 C ANISOU 104 CD ARG A 14 4256 5060 5392 -1892 -559 -1302 C ATOM 105 NE ARG A 14 -14.622 10.756 13.424 1.00 41.10 N ANISOU 105 NE ARG A 14 4711 5540 5368 -1818 -769 -1532 N ATOM 106 CZ ARG A 14 -15.615 10.488 14.258 1.00 41.55 C ANISOU 106 CZ ARG A 14 5049 5672 5067 -1942 -949 -1892 C ATOM 107 NH1 ARG A 14 -16.436 11.456 14.647 1.00 41.69 N ANISOU 107 NH1 ARG A 14 5043 5694 5104 -2093 -993 -1889 N ATOM 108 NH2 ARG A 14 -15.798 9.251 14.683 1.00 43.31 N ANISOU 108 NH2 ARG A 14 5399 5743 5315 -1822 -775 -1902 N ATOM 0 H ARG A 14 -11.995 16.355 13.032 1.00 24.13 H new ATOM 0 HA ARG A 14 -14.040 15.177 14.142 1.00 26.56 H new ATOM 0 HB2 ARG A 14 -12.998 14.188 12.334 1.00 29.88 H new ATOM 0 HB3 ARG A 14 -11.670 14.030 13.135 1.00 29.88 H new ATOM 0 HG2 ARG A 14 -12.324 11.987 13.445 1.00 35.05 H new ATOM 0 HG3 ARG A 14 -13.201 12.583 14.589 1.00 35.05 H new ATOM 0 HD2 ARG A 14 -15.056 12.692 13.097 1.00 38.71 H new ATOM 0 HD3 ARG A 14 -14.177 12.070 11.969 1.00 38.71 H new ATOM 0 HE ARG A 14 -14.130 10.103 13.159 1.00 41.10 H new ATOM 0 HH11 ARG A 14 -16.323 12.258 14.357 1.00 41.69 H new ATOM 0 HH12 ARG A 14 -17.081 11.281 15.189 1.00 41.69 H new ATOM 0 HH21 ARG A 14 -15.273 8.623 14.418 1.00 43.31 H new ATOM 0 HH22 ARG A 14 -16.442 9.073 15.225 1.00 43.31 H new ATOM 109 N HIS A 15 -11.459 15.359 15.975 1.00 24.28 N ANISOU 109 N HIS A 15 2488 3605 3130 -1101 -396 -572 N ATOM 110 CA HIS A 15 -10.926 15.127 17.309 1.00 24.16 C ANISOU 110 CA HIS A 15 2347 3437 3395 -929 -69 -318 C ATOM 111 C HIS A 15 -11.300 16.230 18.296 1.00 23.81 C ANISOU 111 C HIS A 15 2187 3396 3463 -880 147 -169 C ATOM 112 O HIS A 15 -10.778 16.281 19.400 1.00 24.18 O ANISOU 112 O HIS A 15 2197 3440 3552 -767 280 -69 O ATOM 113 CB HIS A 15 -9.407 14.952 17.240 1.00 24.50 C ANISOU 113 CB HIS A 15 2497 3295 3517 -819 -200 -356 C ATOM 114 CG HIS A 15 -8.993 13.599 16.758 1.00 24.82 C ANISOU 114 CG HIS A 15 2755 3057 3620 -824 -264 -306 C ATOM 115 ND1 HIS A 15 -8.449 12.642 17.589 1.00 26.31 N ANISOU 115 ND1 HIS A 15 3068 3025 3904 -753 -464 -505 N ATOM 116 CD2 HIS A 15 -9.077 13.030 15.532 1.00 26.13 C ANISOU 116 CD2 HIS A 15 2950 2953 4026 -711 -327 -347 C ATOM 117 CE1 HIS A 15 -8.205 11.546 16.888 1.00 26.95 C ANISOU 117 CE1 HIS A 15 3269 2960 4011 -596 -552 -447 C ATOM 118 NE2 HIS A 15 -8.577 11.756 15.637 1.00 26.49 N ANISOU 118 NE2 HIS A 15 3135 2836 4092 -675 -511 -607 N ATOM 0 H HIS A 15 -10.961 15.847 15.471 1.00 24.28 H new ATOM 0 HA HIS A 15 -11.331 14.312 17.644 1.00 24.16 H new ATOM 0 HB2 HIS A 15 -9.036 15.627 16.650 1.00 24.50 H new ATOM 0 HB3 HIS A 15 -9.029 15.105 18.120 1.00 24.50 H new ATOM 0 HD1 HIS A 15 -8.293 12.742 18.429 1.00 26.31 H new ATOM 0 HD2 HIS A 15 -9.412 13.429 14.761 1.00 26.13 H new ATOM 0 HE1 HIS A 15 -7.834 10.760 17.220 1.00 26.95 H new ATOM 119 N GLY A 16 -12.229 17.096 17.909 1.00 21.93 N ANISOU 119 N GLY A 16 2089 3305 2936 -724 298 -150 N ATOM 120 CA GLY A 16 -12.832 18.009 18.864 1.00 21.56 C ANISOU 120 CA GLY A 16 1914 3247 3033 -601 172 -204 C ATOM 121 C GLY A 16 -12.120 19.320 19.145 1.00 20.16 C ANISOU 121 C GLY A 16 1929 3197 2534 -615 86 -302 C ATOM 122 O GLY A 16 -12.427 19.990 20.124 1.00 21.31 O ANISOU 122 O GLY A 16 1954 3430 2713 -644 356 -410 O ATOM 0 H GLY A 16 -12.521 17.169 17.103 1.00 21.93 H new ATOM 0 HA2 GLY A 16 -13.726 18.218 18.552 1.00 21.56 H new ATOM 0 HA3 GLY A 16 -12.929 17.537 19.706 1.00 21.56 H new ATOM 123 N LEU A 17 -11.201 19.725 18.279 1.00 19.65 N ANISOU 123 N LEU A 17 1886 3105 2475 -555 6 -221 N ATOM 124 CA LEU A 17 -10.459 20.966 18.513 1.00 18.59 C ANISOU 124 CA LEU A 17 1754 3158 2153 -445 123 -247 C ATOM 125 C LEU A 17 -11.174 22.222 18.011 1.00 20.07 C ANISOU 125 C LEU A 17 1767 3405 2455 -389 -8 -270 C ATOM 126 O LEU A 17 -10.813 23.332 18.416 1.00 20.29 O ANISOU 126 O LEU A 17 1816 3333 2562 -446 163 -440 O ATOM 127 CB LEU A 17 -9.072 20.886 17.871 1.00 18.00 C ANISOU 127 CB LEU A 17 1708 3049 2083 -396 152 -468 C ATOM 128 CG LEU A 17 -8.032 20.089 18.649 1.00 18.40 C ANISOU 128 CG LEU A 17 2036 3113 1843 -382 -37 -196 C ATOM 129 CD1 LEU A 17 -6.722 20.175 17.910 1.00 18.94 C ANISOU 129 CD1 LEU A 17 2024 3197 1975 -158 228 170 C ATOM 130 CD2 LEU A 17 -7.830 20.604 20.073 1.00 18.10 C ANISOU 130 CD2 LEU A 17 2139 3116 1622 -439 103 -206 C ATOM 0 H LEU A 17 -10.991 19.306 17.558 1.00 19.65 H new ATOM 0 HA LEU A 17 -10.387 21.049 19.477 1.00 18.59 H new ATOM 0 HB2 LEU A 17 -9.164 20.493 16.989 1.00 18.00 H new ATOM 0 HB3 LEU A 17 -8.738 21.788 17.747 1.00 18.00 H new ATOM 0 HG LEU A 17 -8.350 19.175 18.718 1.00 18.40 H new ATOM 0 HD11 LEU A 17 -6.046 19.673 18.391 1.00 18.94 H new ATOM 0 HD12 LEU A 17 -6.828 19.805 17.020 1.00 18.94 H new ATOM 0 HD13 LEU A 17 -6.448 21.103 17.843 1.00 18.94 H new ATOM 0 HD21 LEU A 17 -7.161 20.063 20.521 1.00 18.10 H new ATOM 0 HD22 LEU A 17 -7.533 21.527 20.044 1.00 18.10 H new ATOM 0 HD23 LEU A 17 -8.668 20.549 20.559 1.00 18.10 H new ATOM 131 N ASP A 18 -12.153 22.081 17.116 1.00 21.02 N ANISOU 131 N ASP A 18 2077 3677 2233 -304 -133 168 N ATOM 132 CA ASP A 18 -12.801 23.277 16.574 1.00 22.39 C ANISOU 132 CA ASP A 18 1987 3872 2646 -228 -197 157 C ATOM 133 C ASP A 18 -13.556 23.991 17.685 1.00 22.21 C ANISOU 133 C ASP A 18 1733 3978 2728 -179 29 273 C ATOM 134 O ASP A 18 -14.482 23.448 18.281 1.00 23.50 O ANISOU 134 O ASP A 18 1793 4012 3122 -71 -32 239 O ATOM 135 CB ASP A 18 -13.729 22.943 15.397 1.00 23.66 C ANISOU 135 CB ASP A 18 2103 4051 2834 -272 -726 258 C ATOM 136 CG ASP A 18 -14.217 24.198 14.642 1.00 25.14 C ANISOU 136 CG ASP A 18 2057 4355 3138 -408 -734 309 C ATOM 137 OD1 ASP A 18 -13.650 25.305 14.849 1.00 25.46 O ANISOU 137 OD1 ASP A 18 2105 4622 2947 -519 -396 119 O ATOM 138 OD2 ASP A 18 -15.162 24.075 13.825 1.00 27.26 O ANISOU 138 OD2 ASP A 18 2323 4516 3517 -259 -504 211 O ATOM 0 H ASP A 18 -12.449 21.330 16.818 1.00 21.02 H new ATOM 0 HA ASP A 18 -12.114 23.867 16.225 1.00 22.39 H new ATOM 0 HB2 ASP A 18 -13.262 22.360 14.778 1.00 23.66 H new ATOM 0 HB3 ASP A 18 -14.497 22.450 15.726 1.00 23.66 H new ATOM 139 N ASN A 19 -13.100 25.207 17.966 1.00 21.45 N ANISOU 139 N ASN A 19 1562 3924 2663 -167 -67 130 N ATOM 140 CA ASN A 19 -13.605 26.059 19.046 1.00 23.74 C ANISOU 140 CA ASN A 19 1464 3862 3695 26 34 185 C ATOM 141 C ASN A 19 -13.340 25.501 20.449 1.00 21.54 C ANISOU 141 C ASN A 19 1473 3585 3127 -59 404 83 C ATOM 142 O ASN A 19 -13.972 25.921 21.418 1.00 21.77 O ANISOU 142 O ASN A 19 1703 3587 2982 -3 683 155 O ATOM 143 CB ASN A 19 -15.105 26.341 18.874 1.00 28.89 C ANISOU 143 CB ASN A 19 1665 4182 5129 37 -12 628 C ATOM 144 CG ASN A 19 -15.494 27.671 19.467 1.00 35.46 C ANISOU 144 CG ASN A 19 2085 4518 6871 -33 22 950 C ATOM 145 OD1 ASN A 19 -14.676 28.598 19.511 1.00 37.69 O ANISOU 145 OD1 ASN A 19 2449 4564 7307 -99 -47 978 O ATOM 146 ND2 ASN A 19 -16.736 27.785 19.924 1.00 38.56 N ANISOU 146 ND2 ASN A 19 2268 4725 7659 -22 385 892 N ATOM 0 H ASN A 19 -12.465 25.575 17.518 1.00 21.45 H new ATOM 0 HA ASN A 19 -13.106 26.888 18.974 1.00 23.74 H new ATOM 0 HB2 ASN A 19 -15.331 26.329 17.931 1.00 28.89 H new ATOM 0 HB3 ASN A 19 -15.618 25.635 19.298 1.00 28.89 H new ATOM 0 HD21 ASN A 19 -17.001 28.527 20.269 1.00 38.56 H new ATOM 0 HD22 ASN A 19 -17.275 27.117 19.875 1.00 38.56 H new ATOM 147 N TYR A 20 -12.396 24.577 20.575 1.00 20.58 N ANISOU 147 N TYR A 20 1536 3476 2809 -188 150 432 N ATOM 148 CA TYR A 20 -12.031 24.079 21.897 1.00 18.10 C ANISOU 148 CA TYR A 20 1461 3245 2172 -210 147 299 C ATOM 149 C TYR A 20 -11.387 25.207 22.697 1.00 17.64 C ANISOU 149 C TYR A 20 1515 3379 1809 -67 416 -104 C ATOM 150 O TYR A 20 -10.441 25.855 22.229 1.00 18.01 O ANISOU 150 O TYR A 20 1514 3146 2183 10 467 -181 O ATOM 151 CB TYR A 20 -11.094 22.866 21.806 1.00 19.05 C ANISOU 151 CB TYR A 20 1635 3069 2535 -353 357 351 C ATOM 152 CG TYR A 20 -10.898 22.217 23.151 1.00 19.40 C ANISOU 152 CG TYR A 20 1768 2961 2643 -141 690 367 C ATOM 153 CD1 TYR A 20 -9.885 22.642 24.011 1.00 19.38 C ANISOU 153 CD1 TYR A 20 1870 2904 2590 254 591 291 C ATOM 154 CD2 TYR A 20 -11.751 21.217 23.588 1.00 21.00 C ANISOU 154 CD2 TYR A 20 1895 2984 3098 -155 966 405 C ATOM 155 CE1 TYR A 20 -9.719 22.075 25.262 1.00 20.83 C ANISOU 155 CE1 TYR A 20 2128 3049 2738 307 909 459 C ATOM 156 CE2 TYR A 20 -11.585 20.641 24.826 1.00 22.06 C ANISOU 156 CE2 TYR A 20 2122 3017 3244 -75 642 753 C ATOM 157 CZ TYR A 20 -10.580 21.077 25.668 1.00 22.24 C ANISOU 157 CZ TYR A 20 2273 3237 2938 175 814 681 C ATOM 158 OH TYR A 20 -10.426 20.499 26.909 1.00 24.62 O ANISOU 158 OH TYR A 20 2642 3657 3055 266 847 449 O ATOM 0 H TYR A 20 -11.960 24.229 19.920 1.00 20.58 H new ATOM 0 HA TYR A 20 -12.835 23.780 22.350 1.00 18.10 H new ATOM 0 HB2 TYR A 20 -11.461 22.219 21.184 1.00 19.05 H new ATOM 0 HB3 TYR A 20 -10.235 23.145 21.452 1.00 19.05 H new ATOM 0 HD1 TYR A 20 -9.310 23.320 23.738 1.00 19.38 H new ATOM 0 HD2 TYR A 20 -12.444 20.932 23.038 1.00 21.00 H new ATOM 0 HE1 TYR A 20 -9.035 22.363 25.822 1.00 20.83 H new ATOM 0 HE2 TYR A 20 -12.152 19.955 25.097 1.00 22.06 H new ATOM 0 HH TYR A 20 -11.017 19.912 27.020 1.00 24.62 H new ATOM 159 N ARG A 21 -11.907 25.447 23.899 1.00 19.78 N ANISOU 159 N ARG A 21 1788 3718 2010 -121 443 -92 N ATOM 160 CA ARG A 21 -11.495 26.593 24.727 1.00 21.63 C ANISOU 160 CA ARG A 21 1918 4105 2197 32 273 21 C ATOM 161 C ARG A 21 -11.618 27.905 23.959 1.00 19.95 C ANISOU 161 C ARG A 21 1727 3892 1961 138 169 -152 C ATOM 162 O ARG A 21 -10.847 28.848 24.187 1.00 20.49 O ANISOU 162 O ARG A 21 2031 3866 1889 128 241 -396 O ATOM 163 CB ARG A 21 -10.056 26.428 25.239 1.00 26.15 C ANISOU 163 CB ARG A 21 2099 4784 3054 277 242 256 C ATOM 164 CG ARG A 21 -9.942 25.822 26.613 1.00 32.19 C ANISOU 164 CG ARG A 21 2466 5509 4256 481 180 599 C ATOM 165 CD ARG A 21 -10.775 26.603 27.611 1.00 37.84 C ANISOU 165 CD ARG A 21 3100 6188 5088 408 80 1015 C ATOM 166 NE ARG A 21 -10.484 26.223 28.986 1.00 42.88 N ANISOU 166 NE ARG A 21 3491 6699 6101 464 -106 1279 N ATOM 167 CZ ARG A 21 -10.914 25.099 29.552 1.00 45.87 C ANISOU 167 CZ ARG A 21 3608 7076 6747 533 72 1456 C ATOM 168 NH1 ARG A 21 -11.626 24.225 28.849 1.00 46.17 N ANISOU 168 NH1 ARG A 21 3695 7187 6659 371 174 1412 N ATOM 169 NH2 ARG A 21 -10.615 24.834 30.816 1.00 47.95 N ANISOU 169 NH2 ARG A 21 3662 7210 7345 720 7 1394 N ATOM 0 H ARG A 21 -12.510 24.952 24.262 1.00 19.78 H new ATOM 0 HA ARG A 21 -12.095 26.619 25.489 1.00 21.63 H new ATOM 0 HB2 ARG A 21 -9.565 25.874 24.613 1.00 26.15 H new ATOM 0 HB3 ARG A 21 -9.626 27.298 25.246 1.00 26.15 H new ATOM 0 HG2 ARG A 21 -10.237 24.898 26.590 1.00 32.19 H new ATOM 0 HG3 ARG A 21 -9.013 25.816 26.893 1.00 32.19 H new ATOM 0 HD2 ARG A 21 -10.608 27.552 27.497 1.00 37.84 H new ATOM 0 HD3 ARG A 21 -11.716 26.457 27.429 1.00 37.84 H new ATOM 0 HE ARG A 21 -10.005 26.757 29.461 1.00 42.88 H new ATOM 0 HH11 ARG A 21 -11.811 24.385 28.024 1.00 46.17 H new ATOM 0 HH12 ARG A 21 -11.902 23.499 29.219 1.00 46.17 H new ATOM 0 HH21 ARG A 21 -10.142 25.389 31.272 1.00 47.95 H new ATOM 0 HH22 ARG A 21 -10.894 24.107 31.180 1.00 47.95 H new ATOM 170 N GLY A 22 -12.559 27.950 23.021 1.00 20.18 N ANISOU 170 N GLY A 22 1589 3887 2190 333 434 218 N ATOM 171 CA GLY A 22 -12.778 29.143 22.225 1.00 19.20 C ANISOU 171 CA GLY A 22 1424 3669 2204 378 322 24 C ATOM 172 C GLY A 22 -11.855 29.370 21.031 1.00 18.24 C ANISOU 172 C GLY A 22 1445 3426 2059 159 189 -256 C ATOM 173 O GLY A 22 -11.962 30.402 20.366 1.00 19.17 O ANISOU 173 O GLY A 22 1695 3338 2251 154 240 -217 O ATOM 0 H GLY A 22 -13.082 27.294 22.832 1.00 20.18 H new ATOM 0 HA2 GLY A 22 -13.691 29.122 21.898 1.00 19.20 H new ATOM 0 HA3 GLY A 22 -12.704 29.912 22.811 1.00 19.20 H new ATOM 174 N TYR A 23 -10.985 28.412 20.721 1.00 17.27 N ANISOU 174 N TYR A 23 1410 3334 1820 207 259 -299 N ATOM 175 CA TYR A 23 -10.033 28.584 19.628 1.00 16.97 C ANISOU 175 CA TYR A 23 1552 3211 1684 270 141 -280 C ATOM 176 C TYR A 23 -10.543 27.899 18.367 1.00 18.25 C ANISOU 176 C TYR A 23 1597 3465 1871 177 93 -275 C ATOM 177 O TYR A 23 -10.641 26.669 18.292 1.00 18.03 O ANISOU 177 O TYR A 23 1532 3554 1765 -6 76 -412 O ATOM 178 CB TYR A 23 -8.669 28.042 20.034 1.00 15.56 C ANISOU 178 CB TYR A 23 1566 2784 1563 275 329 -314 C ATOM 179 CG TYR A 23 -7.991 28.907 21.065 1.00 14.36 C ANISOU 179 CG TYR A 23 1594 2428 1435 120 168 -348 C ATOM 180 CD1 TYR A 23 -7.192 29.989 20.681 1.00 14.04 C ANISOU 180 CD1 TYR A 23 1575 2277 1483 235 40 -140 C ATOM 181 CD2 TYR A 23 -8.153 28.668 22.424 1.00 13.53 C ANISOU 181 CD2 TYR A 23 1439 2230 1471 119 202 -412 C ATOM 182 CE1 TYR A 23 -6.582 30.794 21.621 1.00 13.49 C ANISOU 182 CE1 TYR A 23 1474 2130 1521 173 26 -95 C ATOM 183 CE2 TYR A 23 -7.532 29.468 23.363 1.00 14.55 C ANISOU 183 CE2 TYR A 23 1462 2153 1915 151 34 -406 C ATOM 184 CZ TYR A 23 -6.743 30.532 22.949 1.00 13.09 C ANISOU 184 CZ TYR A 23 1498 1920 1556 103 254 -515 C ATOM 185 OH TYR A 23 -6.104 31.348 23.854 1.00 15.15 O ANISOU 185 OH TYR A 23 1722 1968 2064 74 65 -468 O ATOM 0 H TYR A 23 -10.930 27.657 21.130 1.00 17.27 H new ATOM 0 HA TYR A 23 -9.939 29.530 19.436 1.00 16.97 H new ATOM 0 HB2 TYR A 23 -8.772 27.144 20.386 1.00 15.56 H new ATOM 0 HB3 TYR A 23 -8.103 27.975 19.249 1.00 15.56 H new ATOM 0 HD1 TYR A 23 -7.070 30.169 19.777 1.00 14.04 H new ATOM 0 HD2 TYR A 23 -8.687 27.960 22.705 1.00 13.53 H new ATOM 0 HE1 TYR A 23 -6.061 31.515 21.349 1.00 13.49 H new ATOM 0 HE2 TYR A 23 -7.642 29.294 24.270 1.00 14.55 H new ATOM 0 HH TYR A 23 -6.657 31.622 24.424 1.00 15.15 H new ATOM 186 N SER A 24 -10.872 28.710 17.373 1.00 19.13 N ANISOU 186 N SER A 24 1739 3549 1980 244 -91 -235 N ATOM 187 CA SER A 24 -11.363 28.179 16.103 1.00 18.35 C ANISOU 187 CA SER A 24 1863 3551 1559 260 -219 -267 C ATOM 188 C SER A 24 -10.327 27.286 15.431 1.00 17.61 C ANISOU 188 C SER A 24 1691 3451 1547 89 -390 -250 C ATOM 189 O SER A 24 -9.116 27.407 15.671 1.00 17.50 O ANISOU 189 O SER A 24 1707 3584 1358 -28 -243 -78 O ATOM 190 CB SER A 24 -11.751 29.317 15.166 1.00 20.82 C ANISOU 190 CB SER A 24 2280 3631 1998 253 -370 -371 C ATOM 191 OG SER A 24 -10.599 30.028 14.756 1.00 22.18 O ANISOU 191 OG SER A 24 2518 3799 2111 121 -306 44 O ATOM 0 H SER A 24 -10.820 29.568 17.409 1.00 19.13 H new ATOM 0 HA SER A 24 -12.146 27.640 16.295 1.00 18.35 H new ATOM 0 HB2 SER A 24 -12.213 28.963 14.390 1.00 20.82 H new ATOM 0 HB3 SER A 24 -12.367 29.917 15.614 1.00 20.82 H new ATOM 0 HG SER A 24 -10.518 29.974 13.922 1.00 22.18 H new ATOM 192 N LEU A 25 -10.820 26.409 14.566 1.00 17.04 N ANISOU 192 N LEU A 25 1649 3108 1716 85 -322 -292 N ATOM 193 CA LEU A 25 -10.001 25.395 13.898 1.00 16.92 C ANISOU 193 CA LEU A 25 1640 2917 1873 95 -282 -365 C ATOM 194 C LEU A 25 -8.750 25.963 13.250 1.00 16.08 C ANISOU 194 C LEU A 25 1554 2817 1737 123 -276 -184 C ATOM 195 O LEU A 25 -7.686 25.370 13.357 1.00 16.41 O ANISOU 195 O LEU A 25 1579 2803 1852 -30 -403 -106 O ATOM 196 CB LEU A 25 -10.822 24.666 12.830 1.00 18.05 C ANISOU 196 CB LEU A 25 1756 3058 2044 -36 -424 -889 C ATOM 197 CG LEU A 25 -10.259 23.348 12.309 1.00 19.11 C ANISOU 197 CG LEU A 25 2060 3359 1843 -151 -627 -603 C ATOM 198 CD1 LEU A 25 -9.989 22.394 13.448 1.00 20.67 C ANISOU 198 CD1 LEU A 25 2228 3375 2251 -420 -1020 -409 C ATOM 199 CD2 LEU A 25 -11.267 22.752 11.346 1.00 20.90 C ANISOU 199 CD2 LEU A 25 2096 3414 2431 -152 -590 -714 C ATOM 0 H LEU A 25 -11.651 26.383 14.345 1.00 17.04 H new ATOM 0 HA LEU A 25 -9.718 24.780 14.593 1.00 16.92 H new ATOM 0 HB2 LEU A 25 -11.705 24.495 13.193 1.00 18.05 H new ATOM 0 HB3 LEU A 25 -10.936 25.265 12.076 1.00 18.05 H new ATOM 0 HG LEU A 25 -9.416 23.506 11.855 1.00 19.11 H new ATOM 0 HD11 LEU A 25 -9.632 21.563 13.097 1.00 20.67 H new ATOM 0 HD12 LEU A 25 -9.346 22.790 14.057 1.00 20.67 H new ATOM 0 HD13 LEU A 25 -10.815 22.215 13.923 1.00 20.67 H new ATOM 0 HD21 LEU A 25 -10.928 21.911 11.002 1.00 20.90 H new ATOM 0 HD22 LEU A 25 -12.105 22.597 11.809 1.00 20.90 H new ATOM 0 HD23 LEU A 25 -11.414 23.366 10.610 1.00 20.90 H new ATOM 200 N GLY A 26 -8.884 27.103 12.580 1.00 16.30 N ANISOU 200 N GLY A 26 1461 3022 1712 161 -274 -367 N ATOM 201 CA GLY A 26 -7.760 27.729 11.906 1.00 16.72 C ANISOU 201 CA GLY A 26 1589 2998 1766 173 -231 -360 C ATOM 202 C GLY A 26 -6.588 28.036 12.830 1.00 15.16 C ANISOU 202 C GLY A 26 1568 2829 1363 325 -29 -24 C ATOM 203 O GLY A 26 -5.429 27.992 12.402 1.00 14.85 O ANISOU 203 O GLY A 26 1628 2800 1213 279 -197 198 O ATOM 0 H GLY A 26 -9.626 27.531 12.505 1.00 16.30 H new ATOM 0 HA2 GLY A 26 -7.456 27.147 11.192 1.00 16.72 H new ATOM 0 HA3 GLY A 26 -8.060 28.553 11.491 1.00 16.72 H new ATOM 204 N ASN A 27 -6.873 28.323 14.097 1.00 14.03 N ANISOU 204 N ASN A 27 1490 2538 1303 307 -172 -31 N ATOM 205 CA ASN A 27 -5.794 28.555 15.056 1.00 12.97 C ANISOU 205 CA ASN A 27 1473 2259 1198 324 -235 4 C ATOM 206 C ASN A 27 -4.920 27.324 15.249 1.00 12.98 C ANISOU 206 C ASN A 27 1458 2189 1285 167 -182 -109 C ATOM 207 O ASN A 27 -3.689 27.414 15.340 1.00 13.18 O ANISOU 207 O ASN A 27 1420 2273 1314 143 -254 -76 O ATOM 208 CB ASN A 27 -6.339 28.984 16.409 1.00 14.23 C ANISOU 208 CB ASN A 27 1730 2418 1259 243 97 -192 C ATOM 209 CG ASN A 27 -6.794 30.422 16.405 1.00 15.30 C ANISOU 209 CG ASN A 27 1636 2736 1440 567 -66 -147 C ATOM 210 OD1 ASN A 27 -5.944 31.322 16.466 1.00 16.12 O ANISOU 210 OD1 ASN A 27 1819 2469 1835 587 -258 -195 O ATOM 211 ND2 ASN A 27 -8.120 30.670 16.332 1.00 17.58 N ANISOU 211 ND2 ASN A 27 1674 3419 1587 721 -47 -394 N ATOM 0 H ASN A 27 -7.668 28.388 14.418 1.00 14.03 H new ATOM 0 HA ASN A 27 -5.252 29.267 14.681 1.00 12.97 H new ATOM 0 HB2 ASN A 27 -7.083 28.411 16.654 1.00 14.23 H new ATOM 0 HB3 ASN A 27 -5.654 28.864 17.085 1.00 14.23 H new ATOM 0 HD21 ASN A 27 -8.406 31.481 16.326 1.00 17.58 H new ATOM 0 HD22 ASN A 27 -8.678 30.017 16.291 1.00 17.58 H new ATOM 212 N TRP A 28 -5.584 26.180 15.311 1.00 12.62 N ANISOU 212 N TRP A 28 1431 2009 1356 123 -9 -211 N ATOM 213 CA TRP A 28 -4.898 24.907 15.543 1.00 12.69 C ANISOU 213 CA TRP A 28 1486 2042 1293 -20 -145 -230 C ATOM 214 C TRP A 28 -4.112 24.488 14.322 1.00 13.15 C ANISOU 214 C TRP A 28 1571 2224 1201 50 -63 -222 C ATOM 215 O TRP A 28 -3.005 23.977 14.428 1.00 13.12 O ANISOU 215 O TRP A 28 1479 2212 1293 150 -47 188 O ATOM 216 CB TRP A 28 -5.914 23.832 15.928 1.00 13.86 C ANISOU 216 CB TRP A 28 1612 2089 1565 -204 -58 -164 C ATOM 217 CG TRP A 28 -6.614 24.150 17.225 1.00 13.14 C ANISOU 217 CG TRP A 28 1581 2046 1366 -295 -4 -178 C ATOM 218 CD1 TRP A 28 -7.871 24.639 17.389 1.00 15.40 C ANISOU 218 CD1 TRP A 28 1748 2254 1847 -59 -280 -353 C ATOM 219 CD2 TRP A 28 -6.068 24.009 18.544 1.00 13.89 C ANISOU 219 CD2 TRP A 28 1771 2111 1394 -257 -98 -3 C ATOM 220 NE1 TRP A 28 -8.144 24.814 18.718 1.00 15.09 N ANISOU 220 NE1 TRP A 28 1689 2367 1678 -49 -327 -150 N ATOM 221 CE2 TRP A 28 -7.057 24.425 19.451 1.00 14.12 C ANISOU 221 CE2 TRP A 28 1759 2188 1418 -217 -37 -75 C ATOM 222 CE3 TRP A 28 -4.837 23.561 19.044 1.00 13.90 C ANISOU 222 CE3 TRP A 28 1770 2049 1465 -271 -152 155 C ATOM 223 CZ2 TRP A 28 -6.863 24.401 20.821 1.00 15.38 C ANISOU 223 CZ2 TRP A 28 1984 2262 1597 -219 42 -100 C ATOM 224 CZ3 TRP A 28 -4.638 23.558 20.410 1.00 15.13 C ANISOU 224 CZ3 TRP A 28 2008 2122 1618 -207 -24 179 C ATOM 225 CH2 TRP A 28 -5.650 23.973 21.285 1.00 16.24 C ANISOU 225 CH2 TRP A 28 1979 2140 2053 -248 145 -36 C ATOM 0 H TRP A 28 -6.437 26.114 15.221 1.00 12.62 H new ATOM 0 HA TRP A 28 -4.271 25.021 16.274 1.00 12.69 H new ATOM 0 HB2 TRP A 28 -6.572 23.742 15.221 1.00 13.86 H new ATOM 0 HB3 TRP A 28 -5.464 22.977 16.006 1.00 13.86 H new ATOM 0 HD1 TRP A 28 -8.462 24.828 16.696 1.00 15.40 H new ATOM 0 HE1 TRP A 28 -8.880 25.119 19.041 1.00 15.09 H new ATOM 0 HE3 TRP A 28 -4.168 23.272 18.467 1.00 13.90 H new ATOM 0 HZ2 TRP A 28 -7.535 24.667 21.406 1.00 15.38 H new ATOM 0 HZ3 TRP A 28 -3.821 23.277 20.754 1.00 15.13 H new ATOM 0 HH2 TRP A 28 -5.494 23.957 22.202 1.00 16.24 H new ATOM 226 N VAL A 29 -4.696 24.678 13.143 1.00 12.86 N ANISOU 226 N VAL A 29 1701 2227 959 205 -201 -236 N ATOM 227 CA VAL A 29 -3.994 24.344 11.890 1.00 13.51 C ANISOU 227 CA VAL A 29 1825 2201 1107 125 -338 -292 C ATOM 228 C VAL A 29 -2.780 25.266 11.695 1.00 13.04 C ANISOU 228 C VAL A 29 1763 1968 1225 207 -213 -175 C ATOM 229 O VAL A 29 -1.690 24.795 11.365 1.00 12.92 O ANISOU 229 O VAL A 29 1698 2053 1158 264 -239 -92 O ATOM 230 CB VAL A 29 -4.954 24.418 10.679 1.00 14.02 C ANISOU 230 CB VAL A 29 1918 2360 1049 59 -338 -52 C ATOM 231 CG1 VAL A 29 -4.198 24.184 9.392 1.00 15.18 C ANISOU 231 CG1 VAL A 29 2052 2741 974 173 -480 -42 C ATOM 232 CG2 VAL A 29 -6.101 23.412 10.861 1.00 14.84 C ANISOU 232 CG2 VAL A 29 1948 2235 1455 -90 -415 114 C ATOM 0 H VAL A 29 -5.489 24.995 13.039 1.00 12.86 H new ATOM 0 HA VAL A 29 -3.674 23.431 11.953 1.00 13.51 H new ATOM 0 HB VAL A 29 -5.342 25.306 10.628 1.00 14.02 H new ATOM 0 HG11 VAL A 29 -4.812 24.233 8.642 1.00 15.18 H new ATOM 0 HG12 VAL A 29 -3.511 24.862 9.292 1.00 15.18 H new ATOM 0 HG13 VAL A 29 -3.785 23.307 9.414 1.00 15.18 H new ATOM 0 HG21 VAL A 29 -6.700 23.462 10.100 1.00 14.84 H new ATOM 0 HG22 VAL A 29 -5.738 22.515 10.927 1.00 14.84 H new ATOM 0 HG23 VAL A 29 -6.591 23.623 11.671 1.00 14.84 H new ATOM 233 N CYS A 30 -2.953 26.567 11.963 1.00 12.72 N ANISOU 233 N CYS A 30 1638 1908 1289 166 -223 -124 N ATOM 234 CA CYS A 30 -1.837 27.524 11.892 1.00 13.08 C ANISOU 234 CA CYS A 30 1635 1886 1447 229 -94 -8 C ATOM 235 C CYS A 30 -0.719 27.143 12.866 1.00 12.87 C ANISOU 235 C CYS A 30 1674 2013 1201 149 -109 -19 C ATOM 236 O CYS A 30 0.464 27.128 12.505 1.00 13.87 O ANISOU 236 O CYS A 30 1722 2096 1454 382 -226 11 O ATOM 237 CB CYS A 30 -2.351 28.932 12.180 1.00 13.49 C ANISOU 237 CB CYS A 30 1671 1935 1522 191 -61 -182 C ATOM 238 SG CYS A 30 -1.168 30.230 11.977 1.00 14.62 S ANISOU 238 SG CYS A 30 1780 2123 1652 209 -112 165 S ATOM 0 H CYS A 30 -3.707 26.915 12.187 1.00 12.72 H new ATOM 0 HA CYS A 30 -1.463 27.500 10.997 1.00 13.08 H new ATOM 0 HB2 CYS A 30 -3.106 29.109 11.597 1.00 13.49 H new ATOM 0 HB3 CYS A 30 -2.684 28.958 13.091 1.00 13.49 H new ATOM 239 N ALA A 31 -1.094 26.824 14.100 1.00 12.70 N ANISOU 239 N ALA A 31 1623 1945 1257 91 -222 31 N ATOM 240 CA ALA A 31 -0.096 26.423 15.080 1.00 12.62 C ANISOU 240 CA ALA A 31 1700 1979 1118 160 -148 15 C ATOM 241 C ALA A 31 0.691 25.200 14.603 1.00 11.83 C ANISOU 241 C ALA A 31 1590 1850 1056 130 32 -14 C ATOM 242 O ALA A 31 1.917 25.168 14.708 1.00 12.70 O ANISOU 242 O ALA A 31 1662 2060 1101 26 -135 3 O ATOM 243 CB ALA A 31 -0.730 26.135 16.437 1.00 13.59 C ANISOU 243 CB ALA A 31 1844 2182 1137 -8 14 -27 C ATOM 0 H ALA A 31 -1.905 26.833 14.385 1.00 12.70 H new ATOM 0 HA ALA A 31 0.518 27.167 15.180 1.00 12.62 H new ATOM 0 HB1 ALA A 31 -0.041 25.871 17.067 1.00 13.59 H new ATOM 0 HB2 ALA A 31 -1.176 26.933 16.762 1.00 13.59 H new ATOM 0 HB3 ALA A 31 -1.377 25.418 16.347 1.00 13.59 H new ATOM 244 N ALA A 32 -0.010 24.202 14.078 1.00 12.04 N ANISOU 244 N ALA A 32 1581 1761 1233 34 -96 -21 N ATOM 245 CA ALA A 32 0.666 22.996 13.603 1.00 11.75 C ANISOU 245 CA ALA A 32 1580 1823 1060 -20 26 -31 C ATOM 246 C ALA A 32 1.581 23.304 12.435 1.00 12.01 C ANISOU 246 C ALA A 32 1739 1933 892 117 -317 122 C ATOM 247 O ALA A 32 2.678 22.742 12.346 1.00 13.49 O ANISOU 247 O ALA A 32 1674 2102 1349 84 -162 176 O ATOM 248 CB ALA A 32 -0.358 21.920 13.222 1.00 12.89 C ANISOU 248 CB ALA A 32 1554 1906 1438 48 109 -210 C ATOM 0 H ALA A 32 -0.865 24.200 13.987 1.00 12.04 H new ATOM 0 HA ALA A 32 1.215 22.656 14.327 1.00 11.75 H new ATOM 0 HB1 ALA A 32 0.106 21.128 12.909 1.00 12.89 H new ATOM 0 HB2 ALA A 32 -0.895 21.695 13.998 1.00 12.89 H new ATOM 0 HB3 ALA A 32 -0.934 22.256 12.517 1.00 12.89 H new ATOM 249 N LYS A 33 1.132 24.180 11.524 1.00 12.49 N ANISOU 249 N LYS A 33 1778 2100 868 5 -136 -63 N ATOM 250 CA LYS A 33 1.973 24.554 10.397 1.00 13.85 C ANISOU 250 CA LYS A 33 1870 2376 1014 -21 -130 251 C ATOM 251 C LYS A 33 3.320 25.076 10.869 1.00 13.22 C ANISOU 251 C LYS A 33 1880 2216 927 71 9 40 C ATOM 252 O LYS A 33 4.369 24.629 10.395 1.00 14.38 O ANISOU 252 O LYS A 33 1920 2247 1298 149 180 5 O ATOM 253 CB LYS A 33 1.290 25.619 9.531 1.00 15.68 C ANISOU 253 CB LYS A 33 1962 2801 1193 182 -211 385 C ATOM 254 CG LYS A 33 2.171 26.180 8.416 1.00 18.64 C ANISOU 254 CG LYS A 33 2466 3163 1453 351 -247 359 C ATOM 255 CD LYS A 33 2.495 25.132 7.381 1.00 20.77 C ANISOU 255 CD LYS A 33 2822 3539 1528 429 192 660 C ATOM 256 CE LYS A 33 3.307 25.729 6.255 1.00 23.57 C ANISOU 256 CE LYS A 33 3255 3814 1886 541 363 763 C ATOM 257 NZ LYS A 33 3.581 24.701 5.209 1.00 26.63 N ANISOU 257 NZ LYS A 33 3567 3993 2558 633 576 689 N ATOM 0 H LYS A 33 0.360 24.557 11.545 1.00 12.49 H new ATOM 0 HA LYS A 33 2.113 23.755 9.865 1.00 13.85 H new ATOM 0 HB2 LYS A 33 0.491 25.236 9.136 1.00 15.68 H new ATOM 0 HB3 LYS A 33 1.003 26.349 10.101 1.00 15.68 H new ATOM 0 HG2 LYS A 33 1.720 26.926 7.991 1.00 18.64 H new ATOM 0 HG3 LYS A 33 2.994 26.525 8.796 1.00 18.64 H new ATOM 0 HD2 LYS A 33 2.989 24.406 7.793 1.00 20.77 H new ATOM 0 HD3 LYS A 33 1.674 24.753 7.029 1.00 20.77 H new ATOM 0 HE2 LYS A 33 2.828 26.477 5.864 1.00 23.57 H new ATOM 0 HE3 LYS A 33 4.143 26.078 6.601 1.00 23.57 H new ATOM 0 HZ1 LYS A 33 3.983 25.084 4.514 1.00 26.63 H new ATOM 0 HZ2 LYS A 33 4.110 24.069 5.545 1.00 26.63 H new ATOM 0 HZ3 LYS A 33 2.814 24.336 4.943 1.00 26.63 H new ATOM 258 N PHE A 34 3.301 26.009 11.817 1.00 13.01 N ANISOU 258 N PHE A 34 1788 2080 1075 -227 -117 157 N ATOM 259 CA PHE A 34 4.551 26.682 12.159 1.00 13.88 C ANISOU 259 CA PHE A 34 1906 1964 1404 -301 -275 146 C ATOM 260 C PHE A 34 5.311 25.937 13.250 1.00 14.78 C ANISOU 260 C PHE A 34 1886 2280 1452 -281 -90 348 C ATOM 261 O PHE A 34 6.505 26.136 13.393 1.00 18.47 O ANISOU 261 O PHE A 34 1831 3017 2170 -410 -94 803 O ATOM 262 CB PHE A 34 4.274 28.142 12.526 1.00 13.64 C ANISOU 262 CB PHE A 34 2083 1805 1297 -365 -172 426 C ATOM 263 CG PHE A 34 3.765 28.944 11.363 1.00 14.71 C ANISOU 263 CG PHE A 34 2110 1987 1492 -442 -44 191 C ATOM 264 CD1 PHE A 34 4.447 28.940 10.146 1.00 15.16 C ANISOU 264 CD1 PHE A 34 2326 2229 1204 -212 -65 164 C ATOM 265 CD2 PHE A 34 2.587 29.658 11.457 1.00 17.70 C ANISOU 265 CD2 PHE A 34 2031 2319 2377 -280 -63 286 C ATOM 266 CE1 PHE A 34 3.977 29.669 9.072 1.00 16.95 C ANISOU 266 CE1 PHE A 34 2278 2553 1610 -339 -128 671 C ATOM 267 CE2 PHE A 34 2.111 30.373 10.389 1.00 19.90 C ANISOU 267 CE2 PHE A 34 2208 2635 2718 -287 -68 653 C ATOM 268 CZ PHE A 34 2.813 30.392 9.196 1.00 18.82 C ANISOU 268 CZ PHE A 34 2230 2697 2223 -341 -146 617 C ATOM 0 H PHE A 34 2.607 26.260 12.258 1.00 13.01 H new ATOM 0 HA PHE A 34 5.131 26.678 11.382 1.00 13.88 H new ATOM 0 HB2 PHE A 34 3.624 28.173 13.245 1.00 13.64 H new ATOM 0 HB3 PHE A 34 5.089 28.547 12.862 1.00 13.64 H new ATOM 0 HD1 PHE A 34 5.227 28.441 10.057 1.00 15.16 H new ATOM 0 HD2 PHE A 34 2.110 29.654 12.256 1.00 17.70 H new ATOM 0 HE1 PHE A 34 4.445 29.671 8.268 1.00 16.95 H new ATOM 0 HE2 PHE A 34 1.314 30.847 10.466 1.00 19.90 H new ATOM 0 HZ PHE A 34 2.498 30.893 8.479 1.00 18.82 H new ATOM 269 N GLU A 35 4.647 25.051 13.978 1.00 13.17 N ANISOU 269 N GLU A 35 1774 2068 1162 -63 -292 138 N ATOM 270 CA GLU A 35 5.377 24.205 14.912 1.00 12.28 C ANISOU 270 CA GLU A 35 1586 2084 994 -7 -186 229 C ATOM 271 C GLU A 35 6.091 23.037 14.234 1.00 12.86 C ANISOU 271 C GLU A 35 1478 2381 1028 149 -55 103 C ATOM 272 O GLU A 35 7.222 22.742 14.550 1.00 13.84 O ANISOU 272 O GLU A 35 1467 2543 1250 298 -108 50 O ATOM 273 CB GLU A 35 4.441 23.635 15.981 1.00 13.98 C ANISOU 273 CB GLU A 35 1618 2076 1618 39 -42 138 C ATOM 274 CG GLU A 35 3.910 24.650 16.961 1.00 14.65 C ANISOU 274 CG GLU A 35 1994 2086 1487 130 30 -216 C ATOM 275 CD GLU A 35 4.969 25.254 17.845 1.00 15.87 C ANISOU 275 CD GLU A 35 2451 2189 1391 355 18 8 C ATOM 276 OE1 GLU A 35 6.143 24.783 17.830 1.00 16.81 O ANISOU 276 OE1 GLU A 35 2802 2069 1514 298 -582 -150 O ATOM 277 OE2 GLU A 35 4.597 26.207 18.581 1.00 17.52 O ANISOU 277 OE2 GLU A 35 2445 2516 1695 445 219 -239 O ATOM 0 H GLU A 35 3.797 24.924 13.950 1.00 13.17 H new ATOM 0 HA GLU A 35 6.046 24.781 15.313 1.00 12.28 H new ATOM 0 HB2 GLU A 35 3.691 23.206 15.541 1.00 13.98 H new ATOM 0 HB3 GLU A 35 4.914 22.945 16.473 1.00 13.98 H new ATOM 0 HG2 GLU A 35 3.467 25.360 16.470 1.00 14.65 H new ATOM 0 HG3 GLU A 35 3.238 24.228 17.518 1.00 14.65 H new ATOM 278 N SER A 36 5.429 22.372 13.296 1.00 13.34 N ANISOU 278 N SER A 36 1725 2516 827 186 -233 -190 N ATOM 279 CA SER A 36 5.939 21.096 12.804 1.00 13.85 C ANISOU 279 CA SER A 36 1709 2453 1099 226 37 -273 C ATOM 280 C SER A 36 5.916 20.948 11.288 1.00 14.11 C ANISOU 280 C SER A 36 1649 2401 1310 254 -96 -125 C ATOM 281 O SER A 36 6.303 19.915 10.773 1.00 14.76 O ANISOU 281 O SER A 36 1715 2547 1348 404 -78 -112 O ATOM 282 CB SER A 36 5.110 19.958 13.401 1.00 13.29 C ANISOU 282 CB SER A 36 1680 2360 1011 302 -145 -73 C ATOM 283 OG SER A 36 3.803 19.979 12.831 1.00 13.14 O ANISOU 283 OG SER A 36 1730 2243 1020 280 -187 -60 O ATOM 0 H SER A 36 4.694 22.635 12.935 1.00 13.34 H new ATOM 0 HA SER A 36 6.869 21.062 13.079 1.00 13.85 H new ATOM 0 HB2 SER A 36 5.538 19.105 13.225 1.00 13.29 H new ATOM 0 HB3 SER A 36 5.056 20.054 14.365 1.00 13.29 H new ATOM 0 HG SER A 36 3.236 20.120 13.435 1.00 13.14 H new ATOM 284 N ASN A 37 5.429 21.970 10.591 1.00 13.85 N ANISOU 284 N ASN A 37 1725 2340 1198 184 -165 171 N ATOM 285 CA ASN A 37 5.145 21.892 9.153 1.00 14.63 C ANISOU 285 CA ASN A 37 1967 2560 1032 281 -54 -17 C ATOM 286 C ASN A 37 4.279 20.664 8.847 1.00 14.34 C ANISOU 286 C ASN A 37 1963 2495 992 341 3 -26 C ATOM 287 O ASN A 37 4.436 20.029 7.809 1.00 15.76 O ANISOU 287 O ASN A 37 2157 2627 1204 493 82 -189 O ATOM 288 CB ASN A 37 6.434 21.886 8.320 1.00 18.53 C ANISOU 288 CB ASN A 37 2474 2982 1584 190 336 -228 C ATOM 289 CG ASN A 37 6.188 22.344 6.888 1.00 21.78 C ANISOU 289 CG ASN A 37 3077 3140 2060 309 670 -57 C ATOM 290 OD1 ASN A 37 5.159 22.948 6.595 1.00 21.83 O ANISOU 290 OD1 ASN A 37 3459 3097 1740 393 499 204 O ATOM 291 ND2 ASN A 37 7.126 22.053 5.995 1.00 23.87 N ANISOU 291 ND2 ASN A 37 3343 3471 2256 119 811 153 N ATOM 0 H ASN A 37 5.251 22.736 10.939 1.00 13.85 H new ATOM 0 HA ASN A 37 4.649 22.687 8.902 1.00 14.63 H new ATOM 0 HB2 ASN A 37 7.090 22.466 8.736 1.00 18.53 H new ATOM 0 HB3 ASN A 37 6.810 20.992 8.313 1.00 18.53 H new ATOM 0 HD21 ASN A 37 7.026 22.289 5.174 1.00 23.87 H new ATOM 0 HD22 ASN A 37 7.834 21.629 6.237 1.00 23.87 H new ATOM 292 N PHE A 38 3.348 20.370 9.761 1.00 13.10 N ANISOU 292 N PHE A 38 1760 2180 1036 457 -115 25 N ATOM 293 CA PHE A 38 2.342 19.310 9.616 1.00 13.71 C ANISOU 293 CA PHE A 38 1770 2254 1187 536 -371 -88 C ATOM 294 C PHE A 38 2.955 17.901 9.691 1.00 12.57 C ANISOU 294 C PHE A 38 1841 2168 766 493 -240 -282 C ATOM 295 O PHE A 38 2.311 16.943 9.303 1.00 14.83 O ANISOU 295 O PHE A 38 2085 2177 1373 316 -317 -530 O ATOM 296 CB PHE A 38 1.554 19.449 8.310 1.00 13.88 C ANISOU 296 CB PHE A 38 1871 2353 1048 587 -436 -259 C ATOM 297 CG PHE A 38 0.755 20.724 8.179 1.00 13.48 C ANISOU 297 CG PHE A 38 1646 2488 986 392 -441 -212 C ATOM 298 CD1 PHE A 38 0.199 21.380 9.268 1.00 13.89 C ANISOU 298 CD1 PHE A 38 1595 2275 1410 197 -257 -66 C ATOM 299 CD2 PHE A 38 0.522 21.246 6.912 1.00 15.44 C ANISOU 299 CD2 PHE A 38 1870 2869 1127 543 -236 -17 C ATOM 300 CE1 PHE A 38 -0.569 22.524 9.076 1.00 14.76 C ANISOU 300 CE1 PHE A 38 1717 2374 1516 193 -330 -117 C ATOM 301 CE2 PHE A 38 -0.229 22.397 6.740 1.00 15.82 C ANISOU 301 CE2 PHE A 38 1945 2807 1257 663 -265 47 C ATOM 302 CZ PHE A 38 -0.760 23.038 7.800 1.00 16.16 C ANISOU 302 CZ PHE A 38 1725 2579 1834 533 -548 -387 C ATOM 0 H PHE A 38 3.283 20.795 10.506 1.00 13.10 H new ATOM 0 HA PHE A 38 1.737 19.420 10.366 1.00 13.71 H new ATOM 0 HB2 PHE A 38 2.174 19.394 7.566 1.00 13.88 H new ATOM 0 HB3 PHE A 38 0.949 18.695 8.231 1.00 13.88 H new ATOM 0 HD1 PHE A 38 0.340 21.054 10.128 1.00 13.89 H new ATOM 0 HD2 PHE A 38 0.876 20.815 6.168 1.00 15.44 H new ATOM 0 HE1 PHE A 38 -0.957 22.948 9.807 1.00 14.76 H new ATOM 0 HE2 PHE A 38 -0.368 22.731 5.883 1.00 15.82 H new ATOM 0 HZ PHE A 38 -1.251 23.819 7.678 1.00 16.16 H new ATOM 303 N ASN A 39 4.183 17.776 10.199 1.00 14.21 N ANISOU 303 N ASN A 39 1840 2341 1218 648 -287 -11 N ATOM 304 CA ASN A 39 4.875 16.489 10.325 1.00 13.40 C ANISOU 304 CA ASN A 39 1920 2347 824 446 -192 -163 C ATOM 305 C ASN A 39 4.705 15.919 11.732 1.00 13.58 C ANISOU 305 C ASN A 39 1885 2120 1155 450 -175 -207 C ATOM 306 O ASN A 39 5.238 16.457 12.695 1.00 13.60 O ANISOU 306 O ASN A 39 2050 2053 1066 366 -219 -260 O ATOM 307 CB ASN A 39 6.354 16.690 9.980 1.00 13.58 C ANISOU 307 CB ASN A 39 1622 2208 1331 470 -119 -434 C ATOM 308 CG ASN A 39 7.117 15.382 9.846 1.00 14.09 C ANISOU 308 CG ASN A 39 1715 2233 1404 212 -90 -278 C ATOM 309 OD1 ASN A 39 6.635 14.324 10.240 1.00 13.08 O ANISOU 309 OD1 ASN A 39 1839 2081 1048 107 -8 -298 O ATOM 310 ND2 ASN A 39 8.327 15.455 9.291 1.00 17.50 N ANISOU 310 ND2 ASN A 39 1765 2255 2630 148 166 -88 N ATOM 0 H ASN A 39 4.644 18.444 10.484 1.00 14.21 H new ATOM 0 HA ASN A 39 4.489 15.847 9.709 1.00 13.40 H new ATOM 0 HB2 ASN A 39 6.422 17.185 9.149 1.00 13.58 H new ATOM 0 HB3 ASN A 39 6.770 17.232 10.668 1.00 13.58 H new ATOM 0 HD21 ASN A 39 8.801 14.743 9.198 1.00 17.50 H new ATOM 0 HD22 ASN A 39 8.633 16.214 9.026 1.00 17.50 H new ATOM 311 N THR A 40 4.002 14.798 11.844 1.00 13.87 N ANISOU 311 N THR A 40 1747 2134 1388 374 -93 -45 N ATOM 312 CA THR A 40 3.774 14.183 13.156 1.00 13.80 C ANISOU 312 CA THR A 40 1740 2121 1382 336 12 165 C ATOM 313 C THR A 40 5.083 13.712 13.790 1.00 13.73 C ANISOU 313 C THR A 40 1870 2012 1334 445 57 -148 C ATOM 314 O THR A 40 5.167 13.603 15.011 1.00 15.08 O ANISOU 314 O THR A 40 2190 2260 1281 532 271 5 O ATOM 315 CB THR A 40 2.804 12.985 13.104 1.00 16.24 C ANISOU 315 CB THR A 40 1704 2322 2145 248 67 -132 C ATOM 316 OG1 THR A 40 3.420 11.887 12.413 1.00 18.63 O ANISOU 316 OG1 THR A 40 1847 2326 2905 158 -26 -608 O ATOM 317 CG2 THR A 40 1.470 13.375 12.442 1.00 16.50 C ANISOU 317 CG2 THR A 40 1538 2518 2214 131 218 -69 C ATOM 0 H THR A 40 3.649 14.377 11.182 1.00 13.87 H new ATOM 0 HA THR A 40 3.372 14.882 13.695 1.00 13.80 H new ATOM 0 HB THR A 40 2.606 12.710 14.013 1.00 16.24 H new ATOM 0 HG1 THR A 40 3.717 11.335 12.972 1.00 18.63 H new ATOM 0 HG21 THR A 40 0.881 12.605 12.423 1.00 16.50 H new ATOM 0 HG22 THR A 40 1.053 14.088 12.950 1.00 16.50 H new ATOM 0 HG23 THR A 40 1.635 13.678 11.535 1.00 16.50 H new ATOM 318 N GLN A 41 6.110 13.451 12.984 1.00 13.36 N ANISOU 318 N GLN A 41 1623 2114 1340 353 -85 -284 N ATOM 319 CA GLN A 41 7.364 12.933 13.530 1.00 13.10 C ANISOU 319 CA GLN A 41 1698 2028 1250 431 5 -371 C ATOM 320 C GLN A 41 8.375 14.022 13.912 1.00 14.18 C ANISOU 320 C GLN A 41 1813 2380 1195 431 -37 -583 C ATOM 321 O GLN A 41 9.501 13.717 14.285 1.00 16.17 O ANISOU 321 O GLN A 41 1797 2641 1706 698 -370 -599 O ATOM 322 CB GLN A 41 7.996 11.949 12.534 1.00 13.47 C ANISOU 322 CB GLN A 41 1654 1928 1537 219 -60 -420 C ATOM 323 CG GLN A 41 7.130 10.723 12.357 1.00 15.01 C ANISOU 323 CG GLN A 41 1860 2060 1784 115 24 -366 C ATOM 324 CD GLN A 41 7.873 9.618 11.668 1.00 15.38 C ANISOU 324 CD GLN A 41 2161 2121 1562 246 -128 -381 C ATOM 325 OE1 GLN A 41 8.592 8.855 12.312 1.00 17.31 O ANISOU 325 OE1 GLN A 41 2512 2343 1722 501 -212 -334 O ATOM 326 NE2 GLN A 41 7.742 9.530 10.351 1.00 14.72 N ANISOU 326 NE2 GLN A 41 2124 2119 1352 63 -90 -507 N ATOM 0 H GLN A 41 6.103 13.564 12.132 1.00 13.36 H new ATOM 0 HA GLN A 41 7.136 12.480 14.357 1.00 13.10 H new ATOM 0 HB2 GLN A 41 8.121 12.387 11.677 1.00 13.47 H new ATOM 0 HB3 GLN A 41 8.875 11.685 12.849 1.00 13.47 H new ATOM 0 HG2 GLN A 41 6.822 10.416 13.224 1.00 15.01 H new ATOM 0 HG3 GLN A 41 6.342 10.954 11.842 1.00 15.01 H new ATOM 0 HE21 GLN A 41 7.231 10.080 9.932 1.00 14.72 H new ATOM 0 HE22 GLN A 41 8.168 8.923 9.916 1.00 14.72 H new ATOM 327 N ALA A 42 7.971 15.288 13.833 1.00 13.92 N ANISOU 327 N ALA A 42 1947 2396 945 251 -84 -509 N ATOM 328 CA ALA A 42 8.875 16.384 14.170 1.00 14.02 C ANISOU 328 CA ALA A 42 1920 2363 1043 303 -38 -367 C ATOM 329 C ALA A 42 9.345 16.306 15.626 1.00 13.57 C ANISOU 329 C ALA A 42 1684 2331 1141 115 0 -266 C ATOM 330 O ALA A 42 8.559 16.091 16.529 1.00 12.86 O ANISOU 330 O ALA A 42 1611 2046 1229 159 -12 -241 O ATOM 331 CB ALA A 42 8.194 17.721 13.926 1.00 14.69 C ANISOU 331 CB ALA A 42 2110 2320 1150 326 -269 -18 C ATOM 0 H ALA A 42 7.183 15.532 13.588 1.00 13.92 H new ATOM 0 HA ALA A 42 9.654 16.304 13.597 1.00 14.02 H new ATOM 0 HB1 ALA A 42 8.803 18.441 14.153 1.00 14.69 H new ATOM 0 HB2 ALA A 42 7.945 17.792 12.991 1.00 14.69 H new ATOM 0 HB3 ALA A 42 7.399 17.785 14.478 1.00 14.69 H new ATOM 332 N THR A 43 10.651 16.479 15.839 1.00 14.25 N ANISOU 332 N THR A 43 1604 2842 968 102 89 -513 N ATOM 333 CA THR A 43 11.222 16.653 17.174 1.00 14.73 C ANISOU 333 CA THR A 43 1752 3052 792 161 -40 -204 C ATOM 334 C THR A 43 12.196 17.805 17.157 1.00 15.04 C ANISOU 334 C THR A 43 1732 3156 828 -273 -2 -220 C ATOM 335 O THR A 43 12.869 18.062 16.151 1.00 19.18 O ANISOU 335 O THR A 43 1900 4051 1337 -540 125 -469 O ATOM 336 CB THR A 43 11.960 15.396 17.676 1.00 15.92 C ANISOU 336 CB THR A 43 1797 3265 987 342 -160 -419 C ATOM 337 OG1 THR A 43 13.051 15.069 16.799 1.00 17.89 O ANISOU 337 OG1 THR A 43 1679 3765 1353 272 -70 -491 O ATOM 338 CG2 THR A 43 11.010 14.219 17.796 1.00 15.46 C ANISOU 338 CG2 THR A 43 1968 2819 1089 588 -93 -307 C ATOM 0 H THR A 43 11.234 16.499 15.207 1.00 14.25 H new ATOM 0 HA THR A 43 10.482 16.825 17.777 1.00 14.73 H new ATOM 0 HB THR A 43 12.316 15.589 18.557 1.00 15.92 H new ATOM 0 HG1 THR A 43 12.748 14.776 16.072 1.00 17.89 H new ATOM 0 HG21 THR A 43 11.496 13.442 18.113 1.00 15.46 H new ATOM 0 HG22 THR A 43 10.303 14.436 18.424 1.00 15.46 H new ATOM 0 HG23 THR A 43 10.622 14.026 16.928 1.00 15.46 H new ATOM 339 N AASN A 44 12.308 18.489 18.284 0.61 14.60 N ANISOU 339 N AASN A 44 1776 2884 887 -233 -99 -112 N ATOM 340 N BASN A 44 12.275 18.503 18.288 0.39 15.22 N ANISOU 340 N BASN A 44 1859 2938 986 -395 -142 7 N ATOM 341 CA AASN A 44 13.308 19.531 18.387 0.61 15.05 C ANISOU 341 CA AASN A 44 2074 2684 962 -205 89 -29 C ATOM 342 CA BASN A 44 13.202 19.619 18.461 0.39 15.64 C ANISOU 342 CA BASN A 44 2129 2725 1087 -460 -146 231 C ATOM 343 C AASN A 44 13.763 19.685 19.828 0.61 13.65 C ANISOU 343 C AASN A 44 2196 2297 692 -218 105 -88 C ATOM 344 C BASN A 44 13.753 19.632 19.882 0.39 13.93 C ANISOU 344 C BASN A 44 2194 2427 671 -313 64 92 C ATOM 345 O AASN A 44 12.961 19.855 20.748 0.61 14.46 O ANISOU 345 O AASN A 44 2194 2113 1185 -312 405 -221 O ATOM 346 O BASN A 44 12.997 19.662 20.858 0.39 14.32 O ANISOU 346 O BASN A 44 2219 2385 837 -370 403 98 O ATOM 347 CB AASN A 44 12.776 20.845 17.815 0.61 18.55 C ANISOU 347 CB AASN A 44 2277 2877 1893 -135 140 46 C ATOM 348 CB BASN A 44 12.522 20.961 18.152 0.39 18.30 C ANISOU 348 CB BASN A 44 2368 2859 1727 -647 -326 527 C ATOM 349 CG AASN A 44 12.634 20.793 16.300 0.61 19.78 C ANISOU 349 CG AASN A 44 2323 2981 2210 -83 593 -34 C ATOM 350 CG BASN A 44 13.463 22.153 18.331 0.39 20.00 C ANISOU 350 CG BASN A 44 2531 2916 2152 -824 -450 679 C ATOM 351 OD1AASN A 44 13.631 20.875 15.563 0.61 21.32 O ANISOU 351 OD1AASN A 44 2356 3071 2675 83 364 -323 O ATOM 352 OD1BASN A 44 13.440 22.837 19.360 0.39 22.23 O ANISOU 352 OD1BASN A 44 2704 3016 2727 -903 -489 810 O ATOM 353 ND2AASN A 44 11.397 20.620 15.826 0.61 19.68 N ANISOU 353 ND2AASN A 44 2336 2833 2307 -234 1171 -241 N ATOM 354 ND2BASN A 44 14.304 22.398 17.332 0.39 20.59 N ANISOU 354 ND2BASN A 44 2462 2766 2596 -1001 -244 1028 N ATOM 0 H AASN A 44 11.826 18.369 18.986 0.61 15.22 H new ATOM 0 H BASN A 44 11.790 18.342 18.980 0.39 15.22 H new ATOM 0 HA AASN A 44 14.082 19.278 17.860 0.61 15.64 H new ATOM 0 HA BASN A 44 13.933 19.498 17.835 0.39 15.64 H new ATOM 0 HB2AASN A 44 11.914 21.044 18.213 0.61 18.30 H new ATOM 0 HB2BASN A 44 12.190 20.949 17.240 0.39 18.30 H new ATOM 0 HB3AASN A 44 13.375 21.568 18.058 0.61 18.30 H new ATOM 0 HB3BASN A 44 11.753 21.071 18.732 0.39 18.30 H new ATOM 0 HD21AASN A 44 11.266 20.561 14.978 0.61 20.59 H new ATOM 0 HD21BASN A 44 14.859 23.053 17.388 0.39 20.59 H new ATOM 0 HD22AASN A 44 10.732 20.568 16.369 0.61 20.59 H new ATOM 0 HD22BASN A 44 14.293 21.902 16.630 0.39 20.59 H new ATOM 355 N ARG A 45 15.076 19.615 19.996 1.00 14.79 N ANISOU 355 N ARG A 45 2228 2331 1062 -90 52 -157 N ATOM 356 CA ARG A 45 15.736 19.661 21.300 1.00 15.31 C ANISOU 356 CA ARG A 45 2541 2206 1072 -59 -130 -215 C ATOM 357 C ARG A 45 15.919 21.115 21.713 1.00 16.60 C ANISOU 357 C ARG A 45 3085 2242 982 -262 -36 -40 C ATOM 358 O ARG A 45 16.398 21.921 20.915 1.00 19.14 O ANISOU 358 O ARG A 45 3395 2501 1377 -475 -140 -13 O ATOM 359 CB ARG A 45 17.089 18.937 21.196 1.00 17.05 C ANISOU 359 CB ARG A 45 2633 2231 1613 29 -663 -257 C ATOM 360 CG ARG A 45 18.030 19.070 22.340 1.00 20.51 C ANISOU 360 CG ARG A 45 2865 2496 2434 7 -610 -336 C ATOM 361 CD ARG A 45 17.596 18.264 23.513 1.00 21.39 C ANISOU 361 CD ARG A 45 2904 2846 2377 -93 48 -233 C ATOM 362 NE ARG A 45 16.837 17.060 23.190 1.00 22.56 N ANISOU 362 NE ARG A 45 2849 2904 2817 216 -86 -375 N ATOM 363 CZ ARG A 45 17.361 15.895 22.807 1.00 24.95 C ANISOU 363 CZ ARG A 45 2800 3077 3604 312 -114 -978 C ATOM 364 NH1 ARG A 45 18.679 15.778 22.644 1.00 27.14 N ANISOU 364 NH1 ARG A 45 2773 3358 4183 322 230 -530 N ATOM 365 NH2 ARG A 45 16.552 14.848 22.563 1.00 24.19 N ANISOU 365 NH2 ARG A 45 2899 3085 3208 437 -428 -1620 N ATOM 0 H AARG A 45 15.626 19.537 19.339 0.61 14.79 H new ATOM 0 H BARG A 45 15.615 19.577 19.327 0.39 14.79 H new ATOM 0 HA ARG A 45 15.198 19.217 21.974 1.00 15.31 H new ATOM 0 HB2 ARG A 45 16.913 17.993 21.061 1.00 17.05 H new ATOM 0 HB3 ARG A 45 17.540 19.258 20.399 1.00 17.05 H new ATOM 0 HG2 ARG A 45 18.916 18.787 22.064 1.00 20.51 H new ATOM 0 HG3 ARG A 45 18.097 20.003 22.596 1.00 20.51 H new ATOM 0 HD2 ARG A 45 18.382 18.008 24.020 1.00 21.39 H new ATOM 0 HD3 ARG A 45 17.056 18.825 24.091 1.00 21.39 H new ATOM 0 HE ARG A 45 15.980 17.106 23.252 1.00 22.56 H new ATOM 0 HH11 ARG A 45 19.191 16.454 22.786 1.00 27.14 H new ATOM 0 HH12 ARG A 45 19.017 15.027 22.397 1.00 27.14 H new ATOM 0 HH21 ARG A 45 15.701 14.932 22.654 1.00 24.19 H new ATOM 0 HH22 ARG A 45 16.886 14.095 22.316 1.00 24.19 H new ATOM 366 N ASN A 46 15.554 21.441 22.950 1.00 17.90 N ANISOU 366 N ASN A 46 3492 2118 1192 -309 -201 -152 N ATOM 367 CA ASN A 46 15.682 22.799 23.468 1.00 20.63 C ANISOU 367 CA ASN A 46 3868 2162 1808 -470 11 -228 C ATOM 368 C ASN A 46 16.964 22.954 24.272 1.00 22.78 C ANISOU 368 C ASN A 46 4010 2508 2137 -997 -145 -206 C ATOM 369 O ASN A 46 17.546 21.975 24.719 1.00 22.18 O ANISOU 369 O ASN A 46 3668 2819 1940 -1202 -175 21 O ATOM 370 CB ASN A 46 14.473 23.149 24.334 1.00 22.82 C ANISOU 370 CB ASN A 46 4048 2204 2420 -58 97 -388 C ATOM 371 CG ASN A 46 13.173 22.871 23.640 1.00 23.82 C ANISOU 371 CG ASN A 46 4045 2453 2552 395 -244 8 C ATOM 372 OD1 ASN A 46 12.312 22.137 24.152 1.00 26.95 O ANISOU 372 OD1 ASN A 46 4189 2919 3133 464 -825 -206 O ATOM 373 ND2 ASN A 46 13.033 23.410 22.437 1.00 23.54 N ANISOU 373 ND2 ASN A 46 3923 2315 2708 721 -316 308 N ATOM 0 H ASN A 46 15.225 20.880 23.513 1.00 17.90 H new ATOM 0 HA ASN A 46 15.719 23.409 22.715 1.00 20.63 H new ATOM 0 HB2 ASN A 46 14.511 22.641 25.159 1.00 22.82 H new ATOM 0 HB3 ASN A 46 14.513 24.087 24.577 1.00 22.82 H new ATOM 0 HD21 ASN A 46 12.323 23.256 21.977 1.00 23.54 H new ATOM 0 HD22 ASN A 46 13.652 23.913 22.117 1.00 23.54 H new ATOM 374 N THR A 47 17.410 24.193 24.441 1.00 25.88 N ANISOU 374 N THR A 47 4543 2862 2430 -1042 -231 -98 N ATOM 375 CA THR A 47 18.666 24.455 25.130 1.00 29.99 C ANISOU 375 CA THR A 47 4842 3232 3320 -1121 -132 -292 C ATOM 376 C THR A 47 18.649 23.931 26.570 1.00 29.15 C ANISOU 376 C THR A 47 4719 3295 3061 -1379 -433 -443 C ATOM 377 O THR A 47 19.698 23.544 27.097 1.00 29.74 O ANISOU 377 O THR A 47 4741 3300 3258 -1593 -363 -498 O ATOM 378 CB THR A 47 19.004 25.964 25.119 1.00 34.48 C ANISOU 378 CB THR A 47 5194 3529 4378 -873 230 -210 C ATOM 379 OG1 THR A 47 17.888 26.710 25.620 1.00 37.50 O ANISOU 379 OG1 THR A 47 5441 3745 5061 -547 341 -386 O ATOM 380 CG2 THR A 47 19.294 26.410 23.703 1.00 34.06 C ANISOU 380 CG2 THR A 47 5211 3488 4242 -1001 203 -63 C ATOM 0 H THR A 47 17.000 24.896 24.164 1.00 25.88 H new ATOM 0 HA THR A 47 19.357 23.976 24.646 1.00 29.99 H new ATOM 0 HB THR A 47 19.781 26.119 25.678 1.00 34.48 H new ATOM 0 HG1 THR A 47 17.348 26.188 25.996 1.00 37.50 H new ATOM 0 HG21 THR A 47 19.506 27.357 23.699 1.00 34.06 H new ATOM 0 HG22 THR A 47 20.048 25.909 23.354 1.00 34.06 H new ATOM 0 HG23 THR A 47 18.515 26.251 23.147 1.00 34.06 H new ATOM 381 N ASP A 48 17.462 23.872 27.182 1.00 25.67 N ANISOU 381 N ASP A 48 4502 3141 2109 -1372 -605 -624 N ATOM 382 CA ASP A 48 17.353 23.417 28.561 1.00 25.11 C ANISOU 382 CA ASP A 48 4360 3059 2121 -1170 -874 -554 C ATOM 383 C ASP A 48 17.347 21.898 28.668 1.00 24.23 C ANISOU 383 C ASP A 48 4000 2985 2222 -1025 -730 -280 C ATOM 384 O ASP A 48 17.238 21.362 29.764 1.00 24.83 O ANISOU 384 O ASP A 48 4167 3025 2244 -799 -827 198 O ATOM 385 CB ASP A 48 16.104 24.001 29.249 1.00 26.16 C ANISOU 385 CB ASP A 48 4614 3173 2154 -990 -819 -624 C ATOM 386 CG ASP A 48 14.792 23.553 28.620 1.00 28.86 C ANISOU 386 CG ASP A 48 4928 3264 2773 -622 -711 -715 C ATOM 387 OD1 ASP A 48 14.781 22.656 27.754 1.00 25.83 O ANISOU 387 OD1 ASP A 48 4789 2939 2089 -632 -985 -709 O ATOM 388 OD2 ASP A 48 13.733 24.079 29.030 1.00 31.33 O ANISOU 388 OD2 ASP A 48 5151 3800 2954 -382 -401 -803 O ATOM 0 H ASP A 48 16.716 24.090 26.815 1.00 25.67 H new ATOM 0 HA ASP A 48 18.142 23.744 29.020 1.00 25.11 H new ATOM 0 HB2 ASP A 48 16.110 23.743 30.184 1.00 26.16 H new ATOM 0 HB3 ASP A 48 16.153 24.969 29.221 1.00 26.16 H new ATOM 389 N GLY A 49 17.471 21.210 27.539 1.00 22.53 N ANISOU 389 N GLY A 49 3377 2903 2280 -988 -877 -429 N ATOM 390 CA GLY A 49 17.546 19.758 27.548 1.00 20.11 C ANISOU 390 CA GLY A 49 2930 2718 1993 -590 -607 -268 C ATOM 391 C GLY A 49 16.222 19.056 27.318 1.00 17.20 C ANISOU 391 C GLY A 49 2476 2486 1573 -255 -537 -72 C ATOM 392 O GLY A 49 16.187 17.845 27.084 1.00 17.51 O ANISOU 392 O GLY A 49 2160 2581 1913 -180 -396 -114 O ATOM 0 H GLY A 49 17.513 21.567 26.758 1.00 22.53 H new ATOM 0 HA2 GLY A 49 18.172 19.474 26.864 1.00 20.11 H new ATOM 0 HA3 GLY A 49 17.908 19.470 28.401 1.00 20.11 H new ATOM 393 N SER A 50 15.125 19.799 27.409 1.00 15.18 N ANISOU 393 N SER A 50 2277 2309 1181 -150 -459 -153 N ATOM 394 CA SER A 50 13.821 19.231 27.062 1.00 13.45 C ANISOU 394 CA SER A 50 2095 2018 996 79 -238 -91 C ATOM 395 C SER A 50 13.726 19.072 25.552 1.00 12.65 C ANISOU 395 C SER A 50 1924 1915 966 38 -169 -2 C ATOM 396 O SER A 50 14.563 19.596 24.813 1.00 13.95 O ANISOU 396 O SER A 50 2174 1949 1176 -210 -52 -86 O ATOM 397 CB SER A 50 12.680 20.111 27.577 1.00 14.36 C ANISOU 397 CB SER A 50 2453 1828 1175 209 -120 -108 C ATOM 398 OG SER A 50 12.659 21.374 26.927 1.00 16.18 O ANISOU 398 OG SER A 50 2894 1828 1427 170 -453 -208 O ATOM 0 H SER A 50 15.109 20.620 27.664 1.00 15.18 H new ATOM 0 HA SER A 50 13.737 18.363 27.486 1.00 13.45 H new ATOM 0 HB2 SER A 50 11.833 19.660 27.436 1.00 14.36 H new ATOM 0 HB3 SER A 50 12.776 20.240 28.534 1.00 14.36 H new ATOM 0 HG SER A 50 13.320 21.829 27.176 1.00 16.18 H new ATOM 399 N THR A 51 12.696 18.354 25.102 1.00 11.61 N ANISOU 399 N THR A 51 1840 1650 921 88 -230 -247 N ATOM 400 CA THR A 51 12.475 18.137 23.674 1.00 11.78 C ANISOU 400 CA THR A 51 1830 1834 810 201 -245 32 C ATOM 401 C THR A 51 11.002 18.398 23.376 1.00 11.27 C ANISOU 401 C THR A 51 1799 1803 682 135 88 -153 C ATOM 402 O THR A 51 10.139 18.078 24.210 1.00 11.90 O ANISOU 402 O THR A 51 1863 1853 805 154 -62 -127 O ATOM 403 CB THR A 51 12.879 16.706 23.278 1.00 12.43 C ANISOU 403 CB THR A 51 1751 2029 944 135 10 -102 C ATOM 404 OG1 THR A 51 14.253 16.508 23.631 1.00 13.02 O ANISOU 404 OG1 THR A 51 1848 2139 962 277 -9 -124 O ATOM 405 CG2 THR A 51 12.711 16.456 21.785 1.00 12.27 C ANISOU 405 CG2 THR A 51 1840 2095 726 182 -44 -283 C ATOM 0 H THR A 51 12.111 17.983 25.612 1.00 11.61 H new ATOM 0 HA THR A 51 13.024 18.744 23.153 1.00 11.78 H new ATOM 0 HB THR A 51 12.300 16.086 23.749 1.00 12.43 H new ATOM 0 HG1 THR A 51 14.309 16.322 24.448 1.00 13.02 H new ATOM 0 HG21 THR A 51 12.975 15.546 21.577 1.00 12.27 H new ATOM 0 HG22 THR A 51 11.782 16.587 21.537 1.00 12.27 H new ATOM 0 HG23 THR A 51 13.268 17.075 21.288 1.00 12.27 H new ATOM 406 N ASP A 52 10.733 18.986 22.202 1.00 11.26 N ANISOU 406 N ASP A 52 1641 1805 832 233 -77 -52 N ATOM 407 CA ASP A 52 9.368 19.178 21.700 1.00 12.27 C ANISOU 407 CA ASP A 52 1835 1978 848 157 23 -38 C ATOM 408 C ASP A 52 9.019 18.056 20.731 1.00 11.42 C ANISOU 408 C ASP A 52 1633 1807 900 198 140 -181 C ATOM 409 O ASP A 52 9.837 17.718 19.851 1.00 12.02 O ANISOU 409 O ASP A 52 1730 1980 859 69 121 -372 O ATOM 410 CB ASP A 52 9.224 20.497 20.943 1.00 14.18 C ANISOU 410 CB ASP A 52 2404 2007 976 65 -101 -83 C ATOM 411 CG ASP A 52 9.394 21.721 21.808 1.00 19.40 C ANISOU 411 CG ASP A 52 3508 2246 1617 108 -169 12 C ATOM 412 OD1 ASP A 52 9.398 21.611 23.049 1.00 19.83 O ANISOU 412 OD1 ASP A 52 3821 2299 1414 408 -355 -337 O ATOM 413 OD2 ASP A 52 9.470 22.826 21.230 1.00 23.86 O ANISOU 413 OD2 ASP A 52 4262 2469 2336 -95 -274 230 O ATOM 0 H ASP A 52 11.342 19.285 21.674 1.00 11.26 H new ATOM 0 HA ASP A 52 8.777 19.182 22.469 1.00 12.27 H new ATOM 0 HB2 ASP A 52 9.880 20.523 20.229 1.00 14.18 H new ATOM 0 HB3 ASP A 52 8.349 20.526 20.525 1.00 14.18 H new ATOM 414 N TYR A 53 7.797 17.519 20.821 1.00 12.20 N ANISOU 414 N TYR A 53 1847 1731 1057 182 -108 -86 N ATOM 415 CA TYR A 53 7.402 16.332 20.060 1.00 11.94 C ANISOU 415 CA TYR A 53 1938 1757 843 187 -220 -2 C ATOM 416 C TYR A 53 6.127 16.526 19.275 1.00 12.24 C ANISOU 416 C TYR A 53 1911 1837 903 139 -115 -97 C ATOM 417 O TYR A 53 5.117 16.989 19.814 1.00 12.95 O ANISOU 417 O TYR A 53 1768 1899 1253 119 88 -192 O ATOM 418 CB TYR A 53 7.185 15.158 20.993 1.00 12.12 C ANISOU 418 CB TYR A 53 1785 1700 1120 154 -83 -38 C ATOM 419 CG TYR A 53 8.420 14.705 21.717 1.00 12.27 C ANISOU 419 CG TYR A 53 1843 1585 1235 257 -223 268 C ATOM 420 CD1 TYR A 53 8.822 15.308 22.913 1.00 11.97 C ANISOU 420 CD1 TYR A 53 1726 1741 1082 -142 -16 -22 C ATOM 421 CD2 TYR A 53 9.196 13.661 21.226 1.00 12.44 C ANISOU 421 CD2 TYR A 53 2070 1533 1125 446 -226 -120 C ATOM 422 CE1 TYR A 53 9.956 14.866 23.578 1.00 12.12 C ANISOU 422 CE1 TYR A 53 1734 1810 1061 -1 33 -39 C ATOM 423 CE2 TYR A 53 10.333 13.233 21.883 1.00 12.15 C ANISOU 423 CE2 TYR A 53 2138 1589 890 350 -117 64 C ATOM 424 CZ TYR A 53 10.715 13.838 23.071 1.00 11.38 C ANISOU 424 CZ TYR A 53 1765 1622 937 184 116 92 C ATOM 425 OH TYR A 53 11.846 13.384 23.693 1.00 12.47 O ANISOU 425 OH TYR A 53 1921 1872 944 315 28 -54 O ATOM 0 H TYR A 53 7.176 17.834 21.325 1.00 12.20 H new ATOM 0 HA TYR A 53 8.128 16.166 19.438 1.00 11.94 H new ATOM 0 HB2 TYR A 53 6.510 15.399 21.647 1.00 12.12 H new ATOM 0 HB3 TYR A 53 6.832 14.413 20.482 1.00 12.12 H new ATOM 0 HD1 TYR A 53 8.325 16.011 23.265 1.00 11.97 H new ATOM 0 HD2 TYR A 53 8.943 13.241 20.436 1.00 12.44 H new ATOM 0 HE1 TYR A 53 10.206 15.270 24.377 1.00 12.12 H new ATOM 0 HE2 TYR A 53 10.842 12.540 21.529 1.00 12.15 H new ATOM 0 HH TYR A 53 11.903 13.728 24.457 1.00 12.47 H new ATOM 426 N GLY A 54 6.165 16.126 18.012 1.00 12.23 N ANISOU 426 N GLY A 54 1829 1967 849 45 -240 -78 N ATOM 427 CA GLY A 54 4.936 15.944 17.265 1.00 12.80 C ANISOU 427 CA GLY A 54 1800 2066 998 270 -276 -133 C ATOM 428 C GLY A 54 4.394 17.164 16.573 1.00 11.33 C ANISOU 428 C GLY A 54 1501 2076 728 186 -327 52 C ATOM 429 O GLY A 54 5.032 18.220 16.475 1.00 12.82 O ANISOU 429 O GLY A 54 1675 1987 1209 204 5 -142 O ATOM 0 H GLY A 54 6.886 15.957 17.574 1.00 12.23 H new ATOM 0 HA2 GLY A 54 5.084 15.255 16.598 1.00 12.80 H new ATOM 0 HA3 GLY A 54 4.257 15.610 17.872 1.00 12.80 H new ATOM 430 N ILE A 55 3.195 16.995 16.043 1.00 12.55 N ANISOU 430 N ILE A 55 1511 2298 959 228 -277 -101 N ATOM 431 CA ILE A 55 2.616 17.991 15.159 1.00 14.97 C ANISOU 431 CA ILE A 55 1698 2554 1436 289 -393 -76 C ATOM 432 C ILE A 55 2.351 19.334 15.862 1.00 13.99 C ANISOU 432 C ILE A 55 1840 2357 1119 379 -315 -88 C ATOM 433 O ILE A 55 2.349 20.372 15.204 1.00 14.44 O ANISOU 433 O ILE A 55 1920 2312 1255 569 -18 -94 O ATOM 434 CB ILE A 55 1.346 17.419 14.521 1.00 18.47 C ANISOU 434 CB ILE A 55 1901 3182 1934 283 -515 -100 C ATOM 435 CG1 ILE A 55 1.024 18.158 13.209 1.00 22.93 C ANISOU 435 CG1 ILE A 55 2524 3669 2521 155 -926 -135 C ATOM 436 CG2 ILE A 55 0.235 17.314 15.558 1.00 18.42 C ANISOU 436 CG2 ILE A 55 1513 3275 2208 189 -248 -801 C ATOM 437 CD1 ILE A 55 0.304 17.318 12.191 1.00 23.34 C ANISOU 437 CD1 ILE A 55 2825 3782 2261 66 -505 -399 C ATOM 0 H ILE A 55 2.698 16.308 16.183 1.00 12.55 H new ATOM 0 HA ILE A 55 3.262 18.191 14.463 1.00 14.97 H new ATOM 0 HB ILE A 55 1.474 16.501 14.234 1.00 18.47 H new ATOM 0 HG12 ILE A 55 0.483 18.937 13.412 1.00 22.93 H new ATOM 0 HG13 ILE A 55 1.852 18.481 12.820 1.00 22.93 H new ATOM 0 HG21 ILE A 55 -0.563 16.951 15.142 1.00 18.42 H new ATOM 0 HG22 ILE A 55 0.518 16.729 16.278 1.00 18.42 H new ATOM 0 HG23 ILE A 55 0.041 18.195 15.915 1.00 18.42 H new ATOM 0 HD11 ILE A 55 0.136 17.847 11.395 1.00 23.34 H new ATOM 0 HD12 ILE A 55 0.851 16.551 11.959 1.00 23.34 H new ATOM 0 HD13 ILE A 55 -0.539 17.013 12.561 1.00 23.34 H new ATOM 438 N LEU A 56 2.221 19.323 17.192 1.00 13.24 N ANISOU 438 N LEU A 56 1674 2210 1148 409 -209 -145 N ATOM 439 CA LEU A 56 2.058 20.558 17.948 1.00 14.07 C ANISOU 439 CA LEU A 56 1789 2304 1251 533 34 -276 C ATOM 440 C LEU A 56 3.255 20.807 18.883 1.00 13.02 C ANISOU 440 C LEU A 56 1912 1911 1125 460 11 -125 C ATOM 441 O LEU A 56 3.193 21.665 19.747 1.00 14.54 O ANISOU 441 O LEU A 56 2044 2128 1354 491 117 -149 O ATOM 442 CB LEU A 56 0.736 20.541 18.732 1.00 15.50 C ANISOU 442 CB LEU A 56 1920 2840 1128 611 -215 22 C ATOM 443 CG LEU A 56 -0.519 20.783 17.874 1.00 16.11 C ANISOU 443 CG LEU A 56 1936 2914 1270 488 -23 27 C ATOM 444 CD1 LEU A 56 -1.777 20.493 18.681 1.00 17.26 C ANISOU 444 CD1 LEU A 56 1620 3156 1784 461 290 3 C ATOM 445 CD2 LEU A 56 -0.563 22.214 17.332 1.00 16.37 C ANISOU 445 CD2 LEU A 56 2101 2803 1316 662 -162 -60 C ATOM 0 H LEU A 56 2.225 18.609 17.671 1.00 13.24 H new ATOM 0 HA LEU A 56 2.027 21.293 17.316 1.00 14.07 H new ATOM 0 HB2 LEU A 56 0.649 19.684 19.178 1.00 15.50 H new ATOM 0 HB3 LEU A 56 0.776 21.219 19.425 1.00 15.50 H new ATOM 0 HG LEU A 56 -0.478 20.177 17.117 1.00 16.11 H new ATOM 0 HD11 LEU A 56 -2.559 20.649 18.129 1.00 17.26 H new ATOM 0 HD12 LEU A 56 -1.768 19.568 18.974 1.00 17.26 H new ATOM 0 HD13 LEU A 56 -1.807 21.076 19.455 1.00 17.26 H new ATOM 0 HD21 LEU A 56 -1.364 22.333 16.797 1.00 16.37 H new ATOM 0 HD22 LEU A 56 -0.573 22.841 18.072 1.00 16.37 H new ATOM 0 HD23 LEU A 56 0.220 22.376 16.782 1.00 16.37 H new ATOM 446 N GLN A 57 4.344 20.055 18.708 1.00 12.10 N ANISOU 446 N GLN A 57 1647 1829 1123 315 -145 48 N ATOM 447 CA GLN A 57 5.621 20.316 19.380 1.00 12.76 C ANISOU 447 CA GLN A 57 1886 1942 1018 287 137 -155 C ATOM 448 C GLN A 57 5.441 20.482 20.899 1.00 13.04 C ANISOU 448 C GLN A 57 1776 1989 1190 253 15 -118 C ATOM 449 O GLN A 57 5.889 21.450 21.507 1.00 14.21 O ANISOU 449 O GLN A 57 2095 2022 1281 141 23 -163 O ATOM 450 CB GLN A 57 6.323 21.534 18.747 1.00 13.21 C ANISOU 450 CB GLN A 57 2085 1899 1037 363 217 -90 C ATOM 451 CG GLN A 57 6.880 21.265 17.365 1.00 12.98 C ANISOU 451 CG GLN A 57 1931 1772 1230 300 -33 -384 C ATOM 452 CD GLN A 57 8.031 20.282 17.400 1.00 12.47 C ANISOU 452 CD GLN A 57 1937 1809 993 263 116 -346 C ATOM 453 OE1 GLN A 57 9.173 20.685 17.592 1.00 14.03 O ANISOU 453 OE1 GLN A 57 1907 1957 1467 43 -86 -77 O ATOM 454 NE2 GLN A 57 7.741 18.978 17.214 1.00 13.10 N ANISOU 454 NE2 GLN A 57 2079 1747 1151 314 155 -76 N ATOM 0 H GLN A 57 4.362 19.370 18.189 1.00 12.10 H new ATOM 0 HA GLN A 57 6.193 19.543 19.253 1.00 12.76 H new ATOM 0 HB2 GLN A 57 5.693 22.270 18.696 1.00 13.21 H new ATOM 0 HB3 GLN A 57 7.045 21.819 19.328 1.00 13.21 H new ATOM 0 HG2 GLN A 57 6.176 20.918 16.795 1.00 12.98 H new ATOM 0 HG3 GLN A 57 7.179 22.099 16.970 1.00 12.98 H new ATOM 0 HE21 GLN A 57 6.927 18.733 17.082 1.00 13.10 H new ATOM 0 HE22 GLN A 57 8.370 18.391 17.227 1.00 13.10 H new ATOM 455 N ILE A 58 4.793 19.484 21.496 1.00 13.33 N ANISOU 455 N ILE A 58 1822 2308 936 331 117 55 N ATOM 456 CA ILE A 58 4.532 19.448 22.920 1.00 13.45 C ANISOU 456 CA ILE A 58 1955 2303 850 245 9 153 C ATOM 457 C ILE A 58 5.813 19.066 23.680 1.00 12.29 C ANISOU 457 C ILE A 58 1956 1955 759 343 85 21 C ATOM 458 O ILE A 58 6.541 18.138 23.305 1.00 12.95 O ANISOU 458 O ILE A 58 1920 1969 1031 371 116 -50 O ATOM 459 CB ILE A 58 3.351 18.492 23.186 1.00 14.24 C ANISOU 459 CB ILE A 58 1936 2497 980 69 146 213 C ATOM 460 CG1 ILE A 58 2.082 19.184 22.664 1.00 15.97 C ANISOU 460 CG1 ILE A 58 2068 2634 1367 -59 455 131 C ATOM 461 CG2 ILE A 58 3.248 18.125 24.680 1.00 15.05 C ANISOU 461 CG2 ILE A 58 1933 2449 1335 -104 162 -3 C ATOM 462 CD1 ILE A 58 0.868 18.345 22.699 1.00 17.43 C ANISOU 462 CD1 ILE A 58 2200 2837 1585 -223 296 113 C ATOM 0 H ILE A 58 4.490 18.800 21.072 1.00 13.33 H new ATOM 0 HA ILE A 58 4.275 20.324 23.249 1.00 13.45 H new ATOM 0 HB ILE A 58 3.480 17.649 22.723 1.00 14.24 H new ATOM 0 HG12 ILE A 58 1.924 19.984 23.190 1.00 15.97 H new ATOM 0 HG13 ILE A 58 2.237 19.471 21.750 1.00 15.97 H new ATOM 0 HG21 ILE A 58 2.498 17.525 24.815 1.00 15.05 H new ATOM 0 HG22 ILE A 58 4.066 17.688 24.963 1.00 15.05 H new ATOM 0 HG23 ILE A 58 3.114 18.931 25.203 1.00 15.05 H new ATOM 0 HD11 ILE A 58 0.115 18.851 22.355 1.00 17.43 H new ATOM 0 HD12 ILE A 58 1.004 17.556 22.151 1.00 17.43 H new ATOM 0 HD13 ILE A 58 0.686 18.076 23.613 1.00 17.43 H new ATOM 463 N ASN A 59 6.083 19.817 24.743 1.00 13.61 N ANISOU 463 N ASN A 59 2129 2145 898 321 9 93 N ATOM 464 CA ASN A 59 7.369 19.802 25.415 1.00 13.98 C ANISOU 464 CA ASN A 59 2152 2128 1029 248 -170 41 C ATOM 465 C ASN A 59 7.443 18.848 26.597 1.00 13.33 C ANISOU 465 C ASN A 59 1938 2337 791 355 153 20 C ATOM 466 O ASN A 59 6.524 18.752 27.416 1.00 15.28 O ANISOU 466 O ASN A 59 1995 2663 1150 534 199 63 O ATOM 467 CB ASN A 59 7.704 21.233 25.852 1.00 15.65 C ANISOU 467 CB ASN A 59 2380 2128 1439 102 -327 -92 C ATOM 468 CG ASN A 59 9.092 21.362 26.438 1.00 18.18 C ANISOU 468 CG ASN A 59 2794 2582 1532 -86 40 -322 C ATOM 469 OD1 ASN A 59 9.249 21.364 27.655 1.00 21.00 O ANISOU 469 OD1 ASN A 59 3116 2597 2264 -116 -368 -302 O ATOM 470 ND2 ASN A 59 10.103 21.483 25.583 1.00 23.07 N ANISOU 470 ND2 ASN A 59 2969 2830 2967 -76 -68 -738 N ATOM 0 H ASN A 59 5.514 20.356 25.096 1.00 13.61 H new ATOM 0 HA ASN A 59 8.023 19.468 24.782 1.00 13.98 H new ATOM 0 HB2 ASN A 59 7.624 21.826 25.089 1.00 15.65 H new ATOM 0 HB3 ASN A 59 7.053 21.526 26.508 1.00 15.65 H new ATOM 0 HD21 ASN A 59 10.907 21.567 25.877 1.00 23.07 H new ATOM 0 HD22 ASN A 59 9.953 21.477 24.736 1.00 23.07 H new ATOM 471 N SER A 60 8.570 18.162 26.698 1.00 12.97 N ANISOU 471 N SER A 60 1932 2114 881 345 55 178 N ATOM 472 CA SER A 60 8.794 17.192 27.754 1.00 13.17 C ANISOU 472 CA SER A 60 2081 2132 790 437 -75 103 C ATOM 473 C SER A 60 9.045 17.788 29.148 1.00 14.31 C ANISOU 473 C SER A 60 2272 2187 979 384 -55 60 C ATOM 474 O SER A 60 9.081 17.034 30.122 1.00 15.29 O ANISOU 474 O SER A 60 2623 2205 984 317 -126 97 O ATOM 475 CB SER A 60 9.983 16.294 27.398 1.00 13.76 C ANISOU 475 CB SER A 60 1933 2076 1219 244 68 247 C ATOM 476 OG SER A 60 11.186 17.044 27.314 1.00 12.48 O ANISOU 476 OG SER A 60 1819 1920 1004 113 222 123 O ATOM 0 H SER A 60 9.230 18.247 26.153 1.00 12.97 H new ATOM 0 HA SER A 60 7.963 16.695 27.810 1.00 13.17 H new ATOM 0 HB2 SER A 60 10.078 15.599 28.068 1.00 13.76 H new ATOM 0 HB3 SER A 60 9.815 15.851 26.551 1.00 13.76 H new ATOM 0 HG SER A 60 11.778 16.678 27.785 1.00 12.48 H new ATOM 477 N ARG A 61 9.242 19.103 29.264 1.00 15.00 N ANISOU 477 N ARG A 61 2297 2326 1075 417 -19 -78 N ATOM 478 CA ARG A 61 9.482 19.667 30.599 1.00 17.36 C ANISOU 478 CA ARG A 61 2693 2622 1281 491 20 -390 C ATOM 479 C ARG A 61 8.249 19.507 31.479 1.00 17.46 C ANISOU 479 C ARG A 61 2822 2630 1183 768 -41 -301 C ATOM 480 O ARG A 61 8.364 19.258 32.682 1.00 18.54 O ANISOU 480 O ARG A 61 2939 2896 1208 796 -212 -679 O ATOM 481 CB ARG A 61 9.911 21.141 30.528 1.00 22.17 C ANISOU 481 CB ARG A 61 3132 3367 1924 394 -306 -373 C ATOM 482 CG ARG A 61 10.055 21.798 31.901 1.00 30.23 C ANISOU 482 CG ARG A 61 3826 4270 3391 196 -261 -491 C ATOM 483 CD ARG A 61 11.341 22.594 32.042 1.00 36.88 C ANISOU 483 CD ARG A 61 4390 5093 4529 298 -220 -551 C ATOM 484 NE ARG A 61 12.504 21.749 32.326 1.00 42.32 N ANISOU 484 NE ARG A 61 4890 5683 5507 259 -296 -708 N ATOM 485 CZ ARG A 61 13.383 21.357 31.409 1.00 44.71 C ANISOU 485 CZ ARG A 61 5043 6054 5891 99 -426 -967 C ATOM 486 NH1 ARG A 61 13.223 21.738 30.158 1.00 45.97 N ANISOU 486 NH1 ARG A 61 5164 6261 6041 37 -400 -1021 N ATOM 487 NH2 ARG A 61 14.416 20.591 31.733 1.00 45.26 N ANISOU 487 NH2 ARG A 61 5018 6149 6028 -19 -667 -1274 N ATOM 0 H ARG A 61 9.242 19.666 28.614 1.00 15.00 H new ATOM 0 HA ARG A 61 10.214 19.171 30.997 1.00 17.36 H new ATOM 0 HB2 ARG A 61 10.757 21.202 30.057 1.00 22.17 H new ATOM 0 HB3 ARG A 61 9.260 21.636 30.007 1.00 22.17 H new ATOM 0 HG2 ARG A 61 9.298 22.385 32.055 1.00 30.23 H new ATOM 0 HG3 ARG A 61 10.027 21.113 32.587 1.00 30.23 H new ATOM 0 HD2 ARG A 61 11.500 23.091 31.225 1.00 36.88 H new ATOM 0 HD3 ARG A 61 11.237 23.244 32.754 1.00 36.88 H new ATOM 0 HE ARG A 61 12.626 21.490 33.137 1.00 42.32 H new ATOM 0 HH11 ARG A 61 12.555 22.235 29.942 1.00 45.97 H new ATOM 0 HH12 ARG A 61 13.786 21.490 29.557 1.00 45.97 H new ATOM 0 HH22 ARG A 61 14.976 20.346 31.128 1.00 45.26 H new ATOM 488 N TRP A 62 7.068 19.604 30.874 1.00 16.71 N ANISOU 488 N TRP A 62 2665 2454 1230 751 -145 -189 N ATOM 489 CA TRP A 62 5.822 19.533 31.642 1.00 17.19 C ANISOU 489 CA TRP A 62 2815 2406 1311 743 2 -321 C ATOM 490 C TRP A 62 4.874 18.410 31.236 1.00 15.43 C ANISOU 490 C TRP A 62 2540 2396 928 442 20 -77 C ATOM 491 O TRP A 62 4.163 17.883 32.092 1.00 16.67 O ANISOU 491 O TRP A 62 2514 2778 1042 431 324 4 O ATOM 492 CB TRP A 62 5.060 20.864 31.550 1.00 21.40 C ANISOU 492 CB TRP A 62 3341 2513 2278 750 -245 -268 C ATOM 493 CG TRP A 62 5.741 21.988 32.268 1.00 26.04 C ANISOU 493 CG TRP A 62 4030 2952 2912 617 -160 -519 C ATOM 494 CD1 TRP A 62 6.364 23.055 31.702 1.00 30.20 C ANISOU 494 CD1 TRP A 62 4433 3281 3762 356 -196 -686 C ATOM 495 CD2 TRP A 62 5.884 22.143 33.686 1.00 29.35 C ANISOU 495 CD2 TRP A 62 4327 3175 3649 641 45 -862 C ATOM 496 NE1 TRP A 62 6.882 23.871 32.674 1.00 31.30 N ANISOU 496 NE1 TRP A 62 4630 3407 3856 232 -83 -649 N ATOM 497 CE2 TRP A 62 6.601 23.336 33.903 1.00 30.86 C ANISOU 497 CE2 TRP A 62 4584 3336 3805 382 -111 -888 C ATOM 498 CE3 TRP A 62 5.477 21.390 34.791 1.00 28.43 C ANISOU 498 CE3 TRP A 62 4408 3225 3170 648 -4 -1359 C ATOM 499 CZ2 TRP A 62 6.915 23.807 35.180 1.00 31.84 C ANISOU 499 CZ2 TRP A 62 4723 3405 3971 358 -46 -955 C ATOM 500 CZ3 TRP A 62 5.794 21.861 36.070 1.00 30.45 C ANISOU 500 CZ3 TRP A 62 4641 3306 3621 431 -289 -1423 C ATOM 501 CH2 TRP A 62 6.504 23.058 36.248 1.00 31.94 C ANISOU 501 CH2 TRP A 62 4748 3358 4030 375 -127 -974 C ATOM 0 H TRP A 62 6.964 19.710 30.027 1.00 16.71 H new ATOM 0 HA TRP A 62 6.107 19.343 32.549 1.00 17.19 H new ATOM 0 HB2 TRP A 62 4.952 21.104 30.616 1.00 21.40 H new ATOM 0 HB3 TRP A 62 4.170 20.746 31.917 1.00 21.40 H new ATOM 0 HD1 TRP A 62 6.429 23.209 30.787 1.00 30.20 H new ATOM 0 HE1 TRP A 62 7.314 24.601 32.535 1.00 31.30 H new ATOM 0 HE3 TRP A 62 5.007 20.595 34.679 1.00 28.43 H new ATOM 0 HZ2 TRP A 62 7.386 24.600 35.299 1.00 31.84 H new ATOM 0 HZ3 TRP A 62 5.529 21.372 36.815 1.00 30.45 H new ATOM 0 HH2 TRP A 62 6.699 23.348 37.110 1.00 31.94 H new ATOM 502 N TRP A 63 4.839 18.047 29.947 1.00 13.94 N ANISOU 502 N TRP A 63 2266 2071 960 397 -20 50 N ATOM 503 CA TRP A 63 3.649 17.391 29.429 1.00 13.39 C ANISOU 503 CA TRP A 63 2250 1832 1006 314 173 -7 C ATOM 504 C TRP A 63 3.769 15.909 29.118 1.00 13.40 C ANISOU 504 C TRP A 63 2179 1829 1084 375 358 176 C ATOM 505 O TRP A 63 2.759 15.209 29.095 1.00 16.14 O ANISOU 505 O TRP A 63 2201 1967 1967 207 556 -9 O ATOM 506 CB TRP A 63 3.178 18.130 28.176 1.00 14.09 C ANISOU 506 CB TRP A 63 2276 1771 1306 258 -71 -65 C ATOM 507 CG TRP A 63 2.920 19.560 28.496 1.00 14.96 C ANISOU 507 CG TRP A 63 2344 1924 1417 407 2 41 C ATOM 508 CD1 TRP A 63 3.667 20.651 28.099 1.00 15.54 C ANISOU 508 CD1 TRP A 63 2567 1816 1521 384 -66 188 C ATOM 509 CD2 TRP A 63 1.884 20.078 29.350 1.00 15.92 C ANISOU 509 CD2 TRP A 63 2448 2241 1360 520 50 29 C ATOM 510 NE1 TRP A 63 3.134 21.800 28.637 1.00 17.29 N ANISOU 510 NE1 TRP A 63 2746 1953 1871 472 94 140 N ATOM 511 CE2 TRP A 63 2.046 21.478 29.404 1.00 16.91 C ANISOU 511 CE2 TRP A 63 2632 2212 1581 684 -97 82 C ATOM 512 CE3 TRP A 63 0.819 19.495 30.052 1.00 16.45 C ANISOU 512 CE3 TRP A 63 2519 2376 1357 534 256 -21 C ATOM 513 CZ2 TRP A 63 1.185 22.302 30.127 1.00 18.23 C ANISOU 513 CZ2 TRP A 63 2725 2431 1770 790 139 90 C ATOM 514 CZ3 TRP A 63 -0.031 20.319 30.765 1.00 17.74 C ANISOU 514 CZ3 TRP A 63 2674 2406 1658 528 441 155 C ATOM 515 CH2 TRP A 63 0.158 21.699 30.798 1.00 18.28 C ANISOU 515 CH2 TRP A 63 2746 2406 1794 717 329 240 C ATOM 0 H TRP A 63 5.473 18.169 29.379 1.00 13.94 H new ATOM 0 HA TRP A 63 3.008 17.436 30.156 1.00 13.39 H new ATOM 0 HB2 TRP A 63 3.850 18.063 27.480 1.00 14.09 H new ATOM 0 HB3 TRP A 63 2.371 17.717 27.832 1.00 14.09 H new ATOM 0 HD1 TRP A 63 4.417 20.615 27.551 1.00 15.54 H new ATOM 0 HE1 TRP A 63 3.437 22.595 28.511 1.00 17.29 H new ATOM 0 HE3 TRP A 63 0.688 18.574 30.038 1.00 16.45 H new ATOM 0 HZ2 TRP A 63 1.304 23.224 30.152 1.00 18.23 H new ATOM 0 HZ3 TRP A 63 -0.743 19.945 31.232 1.00 17.74 H new ATOM 0 HH2 TRP A 63 -0.431 22.224 31.290 1.00 18.28 H new ATOM 516 N CYS A 64 4.971 15.424 28.839 1.00 13.76 N ANISOU 516 N CYS A 64 2078 1944 1206 501 331 122 N ATOM 517 CA CYS A 64 5.117 14.013 28.498 1.00 13.76 C ANISOU 517 CA CYS A 64 2114 2053 1060 387 322 46 C ATOM 518 C CYS A 64 6.424 13.485 29.051 1.00 13.87 C ANISOU 518 C CYS A 64 2148 1977 1143 374 235 -12 C ATOM 519 O CYS A 64 7.318 14.276 29.359 1.00 14.79 O ANISOU 519 O CYS A 64 2352 2029 1239 325 310 115 O ATOM 520 CB CYS A 64 5.069 13.806 26.978 1.00 13.75 C ANISOU 520 CB CYS A 64 1997 2099 1128 242 286 108 C ATOM 521 SG CYS A 64 6.367 14.637 26.018 1.00 13.68 S ANISOU 521 SG CYS A 64 2193 1840 1164 246 192 92 S ATOM 0 H CYS A 64 5.700 15.880 28.840 1.00 13.76 H new ATOM 0 HA CYS A 64 4.378 13.525 28.893 1.00 13.76 H new ATOM 0 HB2 CYS A 64 5.118 12.854 26.798 1.00 13.75 H new ATOM 0 HB3 CYS A 64 4.207 14.112 26.655 1.00 13.75 H new ATOM 522 N ASN A 65 6.537 12.156 29.172 1.00 13.27 N ANISOU 522 N ASN A 65 1971 1800 1273 435 383 -10 N ATOM 523 CA ASN A 65 7.789 11.560 29.634 1.00 14.72 C ANISOU 523 CA ASN A 65 2198 1755 1639 291 438 137 C ATOM 524 C ASN A 65 8.671 11.050 28.509 1.00 13.16 C ANISOU 524 C ASN A 65 2052 1930 1018 249 200 105 C ATOM 525 O ASN A 65 8.234 10.211 27.705 1.00 13.85 O ANISOU 525 O ASN A 65 1994 1965 1305 235 -30 157 O ATOM 526 CB ASN A 65 7.544 10.407 30.604 1.00 16.01 C ANISOU 526 CB ASN A 65 2527 2005 1552 182 511 496 C ATOM 527 CG ASN A 65 8.843 9.772 31.014 1.00 16.66 C ANISOU 527 CG ASN A 65 2665 2096 1569 240 372 392 C ATOM 528 OD1 ASN A 65 9.690 10.455 31.595 1.00 17.15 O ANISOU 528 OD1 ASN A 65 2525 2130 1863 188 362 231 O ATOM 529 ND2 ASN A 65 9.042 8.497 30.692 1.00 18.96 N ANISOU 529 ND2 ASN A 65 2872 2329 2002 453 544 339 N ATOM 0 H ASN A 65 5.911 11.594 28.994 1.00 13.27 H new ATOM 0 HA ASN A 65 8.252 12.285 30.082 1.00 14.72 H new ATOM 0 HB2 ASN A 65 7.076 10.732 31.389 1.00 16.01 H new ATOM 0 HB3 ASN A 65 6.972 9.744 30.187 1.00 16.01 H new ATOM 0 HD21 ASN A 65 9.787 8.115 30.889 1.00 18.96 H new ATOM 0 HD22 ASN A 65 8.426 8.055 30.287 1.00 18.96 H new ATOM 530 N ASP A 66 9.926 11.521 28.480 1.00 12.96 N ANISOU 530 N ASP A 66 1963 1838 1124 273 216 233 N ATOM 531 CA ASP A 66 10.905 10.914 27.594 1.00 13.56 C ANISOU 531 CA ASP A 66 2035 1876 1242 328 78 85 C ATOM 532 C ASP A 66 12.120 10.346 28.330 1.00 12.80 C ANISOU 532 C ASP A 66 2073 1840 948 450 200 -87 C ATOM 533 O ASP A 66 13.055 9.885 27.680 1.00 14.54 O ANISOU 533 O ASP A 66 2174 1953 1396 494 276 5 O ATOM 534 CB ASP A 66 11.378 11.898 26.488 1.00 13.57 C ANISOU 534 CB ASP A 66 1941 1854 1362 143 158 316 C ATOM 535 CG ASP A 66 12.121 13.140 27.009 1.00 12.59 C ANISOU 535 CG ASP A 66 1867 2032 885 207 -17 443 C ATOM 536 OD1 ASP A 66 12.477 13.210 28.204 1.00 13.44 O ANISOU 536 OD1 ASP A 66 1875 2251 981 266 54 195 O ATOM 537 OD2 ASP A 66 12.331 14.065 26.189 1.00 13.26 O ANISOU 537 OD2 ASP A 66 1926 1914 1196 218 14 -72 O ATOM 0 H ASP A 66 10.217 12.175 28.956 1.00 12.96 H new ATOM 0 HA ASP A 66 10.440 10.170 27.179 1.00 13.56 H new ATOM 0 HB2 ASP A 66 11.960 11.421 25.875 1.00 13.57 H new ATOM 0 HB3 ASP A 66 10.605 12.188 25.978 1.00 13.57 H new ATOM 538 N GLY A 67 12.100 10.358 29.664 1.00 14.11 N ANISOU 538 N GLY A 67 2067 1896 1399 318 130 327 N ATOM 539 CA GLY A 67 13.188 9.788 30.451 1.00 15.13 C ANISOU 539 CA GLY A 67 2160 1942 1646 310 -129 447 C ATOM 540 C GLY A 67 14.516 10.523 30.409 1.00 16.65 C ANISOU 540 C GLY A 67 2313 2093 1920 407 -13 445 C ATOM 541 O GLY A 67 15.507 10.058 31.006 1.00 18.58 O ANISOU 541 O GLY A 67 2397 2348 2315 461 -20 566 O ATOM 0 H GLY A 67 11.461 10.694 30.132 1.00 14.11 H new ATOM 0 HA2 GLY A 67 12.899 9.737 31.376 1.00 15.13 H new ATOM 0 HA3 GLY A 67 13.336 8.878 30.149 1.00 15.13 H new ATOM 542 N ARG A 68 14.577 11.661 29.722 1.00 15.60 N ANISOU 542 N ARG A 68 2352 2054 1520 265 90 128 N ATOM 543 CA ARG A 68 15.854 12.371 29.588 1.00 15.58 C ANISOU 543 CA ARG A 68 2281 2061 1579 176 75 148 C ATOM 544 C ARG A 68 15.677 13.871 29.817 1.00 15.74 C ANISOU 544 C ARG A 68 2314 2111 1555 144 291 36 C ATOM 545 O ARG A 68 16.455 14.678 29.310 1.00 18.64 O ANISOU 545 O ARG A 68 2463 2205 2414 152 521 -72 O ATOM 546 CB ARG A 68 16.515 12.111 28.214 1.00 16.19 C ANISOU 546 CB ARG A 68 2285 2095 1770 184 79 180 C ATOM 547 CG ARG A 68 15.647 12.432 26.995 1.00 16.66 C ANISOU 547 CG ARG A 68 2329 2284 1716 244 231 356 C ATOM 548 CD ARG A 68 16.449 12.832 25.729 1.00 19.26 C ANISOU 548 CD ARG A 68 2417 2667 2236 173 685 -686 C ATOM 549 NE ARG A 68 16.857 14.222 25.853 1.00 22.77 N ANISOU 549 NE ARG A 68 2577 3071 3005 410 424 206 N ATOM 550 CZ ARG A 68 18.121 14.631 25.876 1.00 24.83 C ANISOU 550 CZ ARG A 68 2490 3045 3899 511 228 251 C ATOM 551 NH1 ARG A 68 19.106 13.751 25.728 1.00 25.73 N ANISOU 551 NH1 ARG A 68 2550 3145 4083 536 303 123 N ATOM 552 NH2 ARG A 68 18.409 15.919 26.034 1.00 23.98 N ANISOU 552 NH2 ARG A 68 2363 2876 3872 472 -121 -59 N ATOM 0 H ARG A 68 13.908 12.035 29.332 1.00 15.60 H new ATOM 0 HA ARG A 68 16.446 12.022 30.273 1.00 15.58 H new ATOM 0 HB2 ARG A 68 17.329 12.636 28.159 1.00 16.19 H new ATOM 0 HB3 ARG A 68 16.776 11.178 28.169 1.00 16.19 H new ATOM 0 HG2 ARG A 68 15.100 11.658 26.788 1.00 16.66 H new ATOM 0 HG3 ARG A 68 15.041 13.155 27.223 1.00 16.66 H new ATOM 0 HD2 ARG A 68 17.227 12.261 25.630 1.00 19.26 H new ATOM 0 HD3 ARG A 68 15.905 12.711 24.935 1.00 19.26 H new ATOM 0 HE ARG A 68 16.240 14.818 25.916 1.00 22.77 H new ATOM 0 HH11 ARG A 68 18.925 12.918 25.617 1.00 25.73 H new ATOM 0 HH12 ARG A 68 19.924 14.015 25.743 1.00 25.73 H new ATOM 0 HH21 ARG A 68 17.775 16.494 26.122 1.00 23.98 H new ATOM 0 HH22 ARG A 68 19.229 16.178 26.048 1.00 23.98 H new ATOM 553 N THR A 69 14.671 14.247 30.597 1.00 14.30 N ANISOU 553 N THR A 69 2177 2129 1127 227 -16 37 N ATOM 554 CA THR A 69 14.460 15.649 30.939 1.00 14.59 C ANISOU 554 CA THR A 69 2422 2185 936 292 -147 31 C ATOM 555 C THR A 69 14.425 15.795 32.472 1.00 16.01 C ANISOU 555 C THR A 69 2542 2427 1115 259 -33 127 C ATOM 556 O THR A 69 13.349 15.801 33.075 1.00 16.61 O ANISOU 556 O THR A 69 2572 2668 1073 542 -82 69 O ATOM 557 CB THR A 69 13.171 16.199 30.309 1.00 14.52 C ANISOU 557 CB THR A 69 2668 2121 729 289 -50 -71 C ATOM 558 OG1 THR A 69 13.152 15.860 28.910 1.00 14.36 O ANISOU 558 OG1 THR A 69 2482 2060 914 272 32 156 O ATOM 559 CG2 THR A 69 13.107 17.731 30.426 1.00 15.62 C ANISOU 559 CG2 THR A 69 2875 2072 989 481 -79 -195 C ATOM 0 H THR A 69 14.098 13.705 30.940 1.00 14.30 H new ATOM 0 HA THR A 69 15.195 16.170 30.580 1.00 14.59 H new ATOM 0 HB THR A 69 12.415 15.811 30.777 1.00 14.52 H new ATOM 0 HG1 THR A 69 12.941 15.052 28.820 1.00 14.36 H new ATOM 0 HG21 THR A 69 12.286 18.053 30.022 1.00 15.62 H new ATOM 0 HG22 THR A 69 13.128 17.985 31.362 1.00 15.62 H new ATOM 0 HG23 THR A 69 13.867 18.123 29.968 1.00 15.62 H new ATOM 560 N PRO A 70 15.604 15.880 33.119 1.00 17.60 N ANISOU 560 N PRO A 70 2586 2890 1212 40 -150 430 N ATOM 561 CA PRO A 70 15.653 15.848 34.596 1.00 18.19 C ANISOU 561 CA PRO A 70 2697 3243 970 110 -326 240 C ATOM 562 C PRO A 70 14.751 16.882 35.261 1.00 19.29 C ANISOU 562 C PRO A 70 3050 3173 1107 358 -266 234 C ATOM 563 O PRO A 70 14.757 18.053 34.861 1.00 21.18 O ANISOU 563 O PRO A 70 3428 2995 1626 332 -141 -25 O ATOM 564 CB PRO A 70 17.124 16.151 34.906 1.00 19.28 C ANISOU 564 CB PRO A 70 2570 3483 1271 -52 -118 221 C ATOM 565 CG PRO A 70 17.857 15.640 33.736 1.00 19.20 C ANISOU 565 CG PRO A 70 2474 3400 1420 -170 3 -36 C ATOM 566 CD PRO A 70 16.954 15.836 32.525 1.00 18.36 C ANISOU 566 CD PRO A 70 2529 3215 1231 -74 -50 489 C ATOM 0 HA PRO A 70 15.336 14.997 34.938 1.00 18.19 H new ATOM 0 HB2 PRO A 70 17.271 17.102 35.028 1.00 19.28 H new ATOM 0 HB3 PRO A 70 17.411 15.713 35.722 1.00 19.28 H new ATOM 0 HG2 PRO A 70 18.694 16.116 33.621 1.00 19.20 H new ATOM 0 HG3 PRO A 70 18.078 14.703 33.852 1.00 19.20 H new ATOM 0 HD2 PRO A 70 17.164 16.655 32.050 1.00 18.36 H new ATOM 0 HD3 PRO A 70 17.043 15.109 31.890 1.00 18.36 H new ATOM 567 N GLY A 71 13.980 16.452 36.255 1.00 19.46 N ANISOU 567 N GLY A 71 3092 3297 1005 502 -86 105 N ATOM 568 CA GLY A 71 13.164 17.364 37.016 1.00 19.83 C ANISOU 568 CA GLY A 71 3167 3353 1013 558 -107 -335 C ATOM 569 C GLY A 71 11.812 17.606 36.397 1.00 20.00 C ANISOU 569 C GLY A 71 3107 3470 1021 724 21 -149 C ATOM 570 O GLY A 71 10.997 18.330 36.962 1.00 23.10 O ANISOU 570 O GLY A 71 3407 3933 1437 799 158 -503 O ATOM 0 H GLY A 71 13.921 15.630 36.499 1.00 19.46 H new ATOM 0 HA2 GLY A 71 13.045 17.012 37.912 1.00 19.83 H new ATOM 0 HA3 GLY A 71 13.630 18.210 37.103 1.00 19.83 H new ATOM 571 N SER A 72 11.557 17.005 35.242 1.00 18.80 N ANISOU 571 N SER A 72 2918 3243 982 819 5 71 N ATOM 572 CA SER A 72 10.366 17.325 34.467 1.00 17.69 C ANISOU 572 CA SER A 72 2755 2997 970 986 64 13 C ATOM 573 C SER A 72 9.148 16.584 34.982 1.00 18.45 C ANISOU 573 C SER A 72 2844 3155 1013 901 -63 203 C ATOM 574 O SER A 72 9.256 15.637 35.779 1.00 21.02 O ANISOU 574 O SER A 72 3172 3440 1376 981 -5 241 O ATOM 575 CB SER A 72 10.564 16.991 32.992 1.00 17.63 C ANISOU 575 CB SER A 72 2734 2755 1208 898 21 -210 C ATOM 576 OG SER A 72 10.584 15.585 32.782 1.00 17.86 O ANISOU 576 OG SER A 72 2898 2812 1075 801 -129 -212 O ATOM 0 H SER A 72 12.063 16.407 34.888 1.00 18.80 H new ATOM 0 HA SER A 72 10.218 18.279 34.565 1.00 17.69 H new ATOM 0 HB2 SER A 72 9.850 17.389 32.469 1.00 17.63 H new ATOM 0 HB3 SER A 72 11.396 17.379 32.679 1.00 17.63 H new ATOM 577 N ARG A 73 7.991 17.034 34.515 1.00 19.22 N ANISOU 577 N ARG A 73 2800 3340 1163 966 30 -184 N ATOM 578 CA ARG A 73 6.741 16.366 34.790 1.00 19.57 C ANISOU 578 CA ARG A 73 2906 3445 1086 691 4 -273 C ATOM 579 C ARG A 73 6.198 15.690 33.532 1.00 17.18 C ANISOU 579 C ARG A 73 2602 3007 919 559 273 252 C ATOM 580 O ARG A 73 6.759 15.833 32.429 1.00 18.07 O ANISOU 580 O ARG A 73 2695 2911 1261 542 193 113 O ATOM 581 CB ARG A 73 5.725 17.368 35.332 1.00 22.27 C ANISOU 581 CB ARG A 73 3321 3852 1288 679 12 -650 C ATOM 582 CG ARG A 73 6.217 18.107 36.571 1.00 25.72 C ANISOU 582 CG ARG A 73 3791 4393 1591 652 331 -801 C ATOM 583 CD ARG A 73 6.282 17.198 37.796 1.00 29.55 C ANISOU 583 CD ARG A 73 4166 5000 2060 662 318 -382 C ATOM 584 NE ARG A 73 4.960 16.666 38.127 1.00 32.40 N ANISOU 584 NE ARG A 73 4550 5559 2202 718 389 -168 N ATOM 585 CZ ARG A 73 4.025 17.332 38.798 1.00 34.87 C ANISOU 585 CZ ARG A 73 4721 5830 2698 821 544 129 C ATOM 586 NH1 ARG A 73 4.262 18.565 39.226 1.00 32.96 N ANISOU 586 NH1 ARG A 73 4703 5685 2134 1027 1034 -160 N ATOM 587 NH2 ARG A 73 2.848 16.762 39.041 1.00 37.07 N ANISOU 587 NH2 ARG A 73 4874 6096 3113 766 497 300 N ATOM 0 H ARG A 73 7.914 17.739 34.028 1.00 19.22 H new ATOM 0 HA ARG A 73 6.898 15.680 35.458 1.00 19.57 H new ATOM 0 HB2 ARG A 73 5.514 18.014 34.639 1.00 22.27 H new ATOM 0 HB3 ARG A 73 4.901 16.902 35.546 1.00 22.27 H new ATOM 0 HG2 ARG A 73 7.097 18.476 36.397 1.00 25.72 H new ATOM 0 HG3 ARG A 73 5.627 18.854 36.756 1.00 25.72 H new ATOM 0 HD2 ARG A 73 6.896 16.466 37.627 1.00 29.55 H new ATOM 0 HD3 ARG A 73 6.633 17.694 38.552 1.00 29.55 H new ATOM 0 HE ARG A 73 4.775 15.867 37.870 1.00 32.40 H new ATOM 0 HH11 ARG A 73 5.022 18.936 39.070 1.00 32.96 H new ATOM 0 HH12 ARG A 73 3.656 18.994 39.660 1.00 32.96 H new ATOM 0 HH21 ARG A 73 2.692 15.963 38.764 1.00 37.07 H new ATOM 0 HH22 ARG A 73 2.243 17.193 39.475 1.00 37.07 H new ATOM 588 N ASN A 74 5.098 14.968 33.714 1.00 17.63 N ANISOU 588 N ASN A 74 2393 2916 1389 620 433 492 N ATOM 589 CA ASN A 74 4.424 14.227 32.662 1.00 17.01 C ANISOU 589 CA ASN A 74 2362 2843 1257 626 155 371 C ATOM 590 C ASN A 74 2.922 14.423 32.856 1.00 16.95 C ANISOU 590 C ASN A 74 2311 2894 1236 555 158 239 C ATOM 591 O ASN A 74 2.196 13.485 33.202 1.00 18.00 O ANISOU 591 O ASN A 74 2495 2845 1499 447 591 229 O ATOM 592 CB ASN A 74 4.825 12.743 32.706 1.00 17.51 C ANISOU 592 CB ASN A 74 2500 2731 1421 507 216 178 C ATOM 593 CG ASN A 74 4.108 11.895 31.665 1.00 17.49 C ANISOU 593 CG ASN A 74 2429 2552 1665 298 325 459 C ATOM 594 OD1 ASN A 74 3.443 12.412 30.775 1.00 16.19 O ANISOU 594 OD1 ASN A 74 2287 2412 1454 300 424 339 O ATOM 595 ND2 ASN A 74 4.274 10.573 31.770 1.00 18.23 N ANISOU 595 ND2 ASN A 74 2396 2625 1907 12 493 416 N ATOM 0 H ASN A 74 4.713 14.895 34.479 1.00 17.63 H new ATOM 0 HA ASN A 74 4.682 14.552 31.785 1.00 17.01 H new ATOM 0 HB2 ASN A 74 5.783 12.669 32.571 1.00 17.51 H new ATOM 0 HB3 ASN A 74 4.635 12.389 33.589 1.00 17.51 H new ATOM 0 HD21 ASN A 74 3.906 10.047 31.198 1.00 18.23 H new ATOM 0 HD22 ASN A 74 4.749 10.249 32.410 1.00 18.23 H new ATOM 596 N LEU A 75 2.462 15.661 32.662 1.00 16.95 N ANISOU 596 N LEU A 75 2246 2915 1278 660 431 47 N ATOM 597 CA LEU A 75 1.088 16.020 33.034 1.00 17.78 C ANISOU 597 CA LEU A 75 2478 2787 1489 603 538 -220 C ATOM 598 C LEU A 75 0.048 15.418 32.089 1.00 17.84 C ANISOU 598 C LEU A 75 2512 2709 1557 429 481 -25 C ATOM 599 O LEU A 75 -1.095 15.248 32.483 1.00 18.93 O ANISOU 599 O LEU A 75 2476 2847 1869 351 606 175 O ATOM 600 CB LEU A 75 0.938 17.542 33.112 1.00 19.69 C ANISOU 600 CB LEU A 75 2741 2897 1844 629 310 -450 C ATOM 601 CG LEU A 75 1.736 18.192 34.240 1.00 21.46 C ANISOU 601 CG LEU A 75 2914 3075 2165 463 563 -194 C ATOM 602 CD1 LEU A 75 1.519 19.689 34.219 1.00 23.44 C ANISOU 602 CD1 LEU A 75 3071 3115 2721 488 448 -361 C ATOM 603 CD2 LEU A 75 1.416 17.585 35.625 1.00 23.73 C ANISOU 603 CD2 LEU A 75 2865 3251 2900 148 413 -89 C ATOM 0 H LEU A 75 2.922 16.302 32.320 1.00 16.95 H new ATOM 0 HA LEU A 75 0.920 15.640 33.911 1.00 17.78 H new ATOM 0 HB2 LEU A 75 1.218 17.928 32.267 1.00 19.69 H new ATOM 0 HB3 LEU A 75 -0.000 17.759 33.226 1.00 19.69 H new ATOM 0 HG LEU A 75 2.676 18.008 34.086 1.00 21.46 H new ATOM 0 HD11 LEU A 75 2.027 20.100 34.936 1.00 23.44 H new ATOM 0 HD12 LEU A 75 1.815 20.047 33.368 1.00 23.44 H new ATOM 0 HD13 LEU A 75 0.576 19.881 34.340 1.00 23.44 H new ATOM 0 HD21 LEU A 75 1.946 18.030 36.304 1.00 23.73 H new ATOM 0 HD22 LEU A 75 0.474 17.705 35.821 1.00 23.73 H new ATOM 0 HD23 LEU A 75 1.627 16.638 35.620 1.00 23.73 H new ATOM 604 N CYS A 76 0.426 15.064 30.860 1.00 16.85 N ANISOU 604 N CYS A 76 2359 2519 1526 437 521 342 N ATOM 605 CA CYS A 76 -0.518 14.368 29.986 1.00 17.94 C ANISOU 605 CA CYS A 76 2409 2446 1959 239 753 504 C ATOM 606 C CYS A 76 -0.475 12.853 30.181 1.00 19.09 C ANISOU 606 C CYS A 76 2461 2496 2297 74 729 667 C ATOM 607 O CYS A 76 -1.231 12.127 29.550 1.00 19.38 O ANISOU 607 O CYS A 76 2348 2567 2447 -216 786 375 O ATOM 608 CB CYS A 76 -0.249 14.716 28.526 1.00 17.56 C ANISOU 608 CB CYS A 76 2255 2460 1959 356 632 342 C ATOM 609 SG CYS A 76 -0.617 16.437 28.205 1.00 17.19 S ANISOU 609 SG CYS A 76 2272 2423 1838 297 382 90 S ATOM 0 H CYS A 76 1.202 15.212 30.521 1.00 16.85 H new ATOM 0 HA CYS A 76 -1.408 14.669 30.229 1.00 17.94 H new ATOM 0 HB2 CYS A 76 0.679 14.534 28.311 1.00 17.56 H new ATOM 0 HB3 CYS A 76 -0.789 14.153 27.950 1.00 17.56 H new ATOM 610 N ASN A 77 0.427 12.396 31.045 1.00 18.60 N ANISOU 610 N ASN A 77 2523 2597 1946 263 595 935 N ATOM 611 CA ASN A 77 0.548 10.974 31.383 1.00 19.69 C ANISOU 611 CA ASN A 77 2515 2764 2200 205 785 792 C ATOM 612 C ASN A 77 0.730 10.078 30.157 1.00 19.35 C ANISOU 612 C ASN A 77 2525 2761 2065 113 615 497 C ATOM 613 O ASN A 77 0.018 9.095 29.963 1.00 21.64 O ANISOU 613 O ASN A 77 2843 2831 2547 107 566 577 O ATOM 614 CB ASN A 77 -0.663 10.517 32.208 1.00 22.70 C ANISOU 614 CB ASN A 77 2749 3062 2814 168 1163 724 C ATOM 615 CG ASN A 77 -0.841 11.340 33.471 1.00 29.39 C ANISOU 615 CG ASN A 77 3199 3834 4133 -41 1228 892 C ATOM 616 OD1 ASN A 77 -0.017 11.268 34.384 1.00 31.58 O ANISOU 616 OD1 ASN A 77 3456 4306 4235 -56 1156 1123 O ATOM 617 ND2 ASN A 77 -1.914 12.122 33.532 1.00 31.50 N ANISOU 617 ND2 ASN A 77 3406 3987 4576 -245 1135 736 N ATOM 0 H ASN A 77 0.989 12.901 31.455 1.00 18.60 H new ATOM 0 HA ASN A 77 1.355 10.882 31.913 1.00 19.69 H new ATOM 0 HB2 ASN A 77 -1.465 10.582 31.666 1.00 22.70 H new ATOM 0 HB3 ASN A 77 -0.556 9.583 32.445 1.00 22.70 H new ATOM 0 HD21 ASN A 77 -2.055 12.605 34.230 1.00 31.50 H new ATOM 0 HD22 ASN A 77 -2.467 12.145 32.874 1.00 31.50 H new ATOM 618 N ILE A 78 1.719 10.423 29.345 1.00 16.55 N ANISOU 618 N ILE A 78 2203 2633 1450 28 329 397 N ATOM 619 CA ILE A 78 2.012 9.689 28.123 1.00 17.24 C ANISOU 619 CA ILE A 78 2139 2559 1853 -90 214 444 C ATOM 620 C ILE A 78 3.511 9.703 27.878 1.00 16.02 C ANISOU 620 C ILE A 78 2051 2287 1748 -268 153 157 C ATOM 621 O ILE A 78 4.200 10.652 28.269 1.00 16.08 O ANISOU 621 O ILE A 78 1963 2218 1928 -179 229 5 O ATOM 622 CB ILE A 78 1.324 10.308 26.887 1.00 19.48 C ANISOU 622 CB ILE A 78 2252 2718 2434 2 334 667 C ATOM 623 CG1 ILE A 78 1.633 11.811 26.825 1.00 19.17 C ANISOU 623 CG1 ILE A 78 2379 2634 2270 127 163 559 C ATOM 624 CG2 ILE A 78 -0.163 9.993 26.869 1.00 23.82 C ANISOU 624 CG2 ILE A 78 2570 2993 3488 -52 166 738 C ATOM 625 CD1 ILE A 78 1.258 12.486 25.524 1.00 21.14 C ANISOU 625 CD1 ILE A 78 2575 2665 2793 -13 149 400 C ATOM 0 H ILE A 78 2.241 11.091 29.487 1.00 16.55 H new ATOM 0 HA ILE A 78 1.677 8.787 28.243 1.00 17.24 H new ATOM 0 HB ILE A 78 1.682 9.908 26.079 1.00 19.48 H new ATOM 0 HG12 ILE A 78 1.166 12.254 27.550 1.00 19.17 H new ATOM 0 HG13 ILE A 78 2.582 11.939 26.979 1.00 19.17 H new ATOM 0 HG21 ILE A 78 -0.569 10.393 26.084 1.00 23.82 H new ATOM 0 HG22 ILE A 78 -0.290 9.032 26.844 1.00 23.82 H new ATOM 0 HG23 ILE A 78 -0.580 10.353 27.667 1.00 23.82 H new ATOM 0 HD11 ILE A 78 1.486 13.428 25.570 1.00 21.14 H new ATOM 0 HD12 ILE A 78 1.743 12.072 24.793 1.00 21.14 H new ATOM 0 HD13 ILE A 78 0.304 12.392 25.373 1.00 21.14 H new ATOM 626 N PRO A 79 4.031 8.655 27.226 1.00 15.89 N ANISOU 626 N PRO A 79 2283 2040 1714 -285 265 290 N ATOM 627 CA PRO A 79 5.383 8.758 26.686 1.00 15.05 C ANISOU 627 CA PRO A 79 2293 1912 1515 -106 354 131 C ATOM 628 C PRO A 79 5.390 9.795 25.573 1.00 14.49 C ANISOU 628 C PRO A 79 2137 1744 1623 76 204 -79 C ATOM 629 O PRO A 79 4.448 9.876 24.779 1.00 15.64 O ANISOU 629 O PRO A 79 2056 2054 1832 70 183 141 O ATOM 630 CB PRO A 79 5.659 7.365 26.132 1.00 16.83 C ANISOU 630 CB PRO A 79 2273 1891 2231 -148 246 254 C ATOM 631 CG PRO A 79 4.312 6.845 25.793 1.00 19.69 C ANISOU 631 CG PRO A 79 2377 2060 3044 -271 211 -90 C ATOM 632 CD PRO A 79 3.376 7.397 26.829 1.00 17.78 C ANISOU 632 CD PRO A 79 2410 1946 2398 -436 449 116 C ATOM 0 HA PRO A 79 6.048 9.030 27.337 1.00 15.05 H new ATOM 0 HB2 PRO A 79 6.234 7.400 25.351 1.00 16.83 H new ATOM 0 HB3 PRO A 79 6.103 6.803 26.786 1.00 16.83 H new ATOM 0 HG2 PRO A 79 4.047 7.124 24.903 1.00 19.69 H new ATOM 0 HG3 PRO A 79 4.303 5.875 25.800 1.00 19.69 H new ATOM 0 HD2 PRO A 79 2.490 7.552 26.467 1.00 17.78 H new ATOM 0 HD3 PRO A 79 3.274 6.792 27.580 1.00 17.78 H new ATOM 633 N CYS A 80 6.433 10.596 25.512 1.00 13.47 N ANISOU 633 N CYS A 80 2081 1608 1428 -79 245 -61 N ATOM 634 CA CYS A 80 6.541 11.574 24.436 1.00 13.50 C ANISOU 634 CA CYS A 80 2089 1784 1256 -16 201 217 C ATOM 635 C CYS A 80 6.458 10.933 23.056 1.00 15.06 C ANISOU 635 C CYS A 80 2173 1886 1664 92 164 110 C ATOM 636 O CYS A 80 5.980 11.561 22.110 1.00 15.14 O ANISOU 636 O CYS A 80 2057 2037 1660 130 215 6 O ATOM 637 CB CYS A 80 7.831 12.374 24.571 1.00 13.15 C ANISOU 637 CB CYS A 80 1869 1887 1241 68 260 7 C ATOM 638 SG CYS A 80 7.954 13.339 26.104 1.00 13.67 S ANISOU 638 SG CYS A 80 2065 1945 1184 197 243 -25 S ATOM 0 H CYS A 80 7.085 10.596 26.073 1.00 13.47 H new ATOM 0 HA CYS A 80 5.782 12.173 24.520 1.00 13.50 H new ATOM 0 HB2 CYS A 80 8.584 11.764 24.524 1.00 13.15 H new ATOM 0 HB3 CYS A 80 7.906 12.977 23.815 1.00 13.15 H new ATOM 639 N SER A 81 6.933 9.694 22.934 1.00 15.07 N ANISOU 639 N SER A 81 2224 1947 1553 123 488 44 N ATOM 640 CA SER A 81 6.865 9.002 21.648 1.00 16.12 C ANISOU 640 CA SER A 81 2563 1942 1620 207 276 -211 C ATOM 641 C SER A 81 5.422 8.889 21.125 1.00 16.54 C ANISOU 641 C SER A 81 2618 2080 1588 11 204 -166 C ATOM 642 O SER A 81 5.196 8.830 19.907 1.00 17.66 O ANISOU 642 O SER A 81 2717 2199 1795 73 80 -164 O ATOM 643 CB SER A 81 7.485 7.611 21.777 1.00 16.42 C ANISOU 643 CB SER A 81 2829 1863 1549 385 326 -154 C ATOM 644 OG SER A 81 6.733 6.821 22.693 1.00 18.51 O ANISOU 644 OG SER A 81 3126 1789 2116 228 293 2 O ATOM 0 H SER A 81 7.293 9.243 23.572 1.00 15.07 H new ATOM 0 HA SER A 81 7.365 9.528 21.005 1.00 16.12 H new ATOM 0 HB2 SER A 81 7.508 7.178 20.909 1.00 16.42 H new ATOM 0 HB3 SER A 81 8.403 7.686 22.081 1.00 16.42 H new ATOM 0 HG SER A 81 7.080 6.059 22.756 1.00 18.51 H new ATOM 645 N ALA A 82 4.446 8.835 22.029 1.00 17.09 N ANISOU 645 N ALA A 82 2521 2165 1808 -244 241 -111 N ATOM 646 CA ALA A 82 3.046 8.767 21.609 1.00 19.09 C ANISOU 646 CA ALA A 82 2511 2408 2333 -244 122 -238 C ATOM 647 C ALA A 82 2.640 9.989 20.785 1.00 19.10 C ANISOU 647 C ALA A 82 2418 2412 2428 -43 -3 -393 C ATOM 648 O ALA A 82 1.688 9.943 20.011 1.00 19.52 O ANISOU 648 O ALA A 82 2326 2576 2516 10 -115 -734 O ATOM 649 CB ALA A 82 2.129 8.626 22.821 1.00 20.06 C ANISOU 649 CB ALA A 82 2574 2622 2425 -146 55 -81 C ATOM 0 H ALA A 82 4.569 8.837 22.880 1.00 17.09 H new ATOM 0 HA ALA A 82 2.952 7.983 21.045 1.00 19.09 H new ATOM 0 HB1 ALA A 82 1.206 8.582 22.525 1.00 20.06 H new ATOM 0 HB2 ALA A 82 2.352 7.815 23.303 1.00 20.06 H new ATOM 0 HB3 ALA A 82 2.245 9.391 23.406 1.00 20.06 H new ATOM 650 N LEU A 83 3.347 11.096 20.974 1.00 16.76 N ANISOU 650 N LEU A 83 2196 2186 1986 84 47 -90 N ATOM 651 CA LEU A 83 3.044 12.339 20.269 1.00 16.67 C ANISOU 651 CA LEU A 83 2214 2318 1801 293 -92 -274 C ATOM 652 C LEU A 83 3.571 12.343 18.837 1.00 16.82 C ANISOU 652 C LEU A 83 2280 2247 1864 323 -18 -291 C ATOM 653 O LEU A 83 3.379 13.339 18.135 1.00 18.35 O ANISOU 653 O LEU A 83 2422 2363 2188 421 -305 -386 O ATOM 654 CB LEU A 83 3.640 13.524 21.030 1.00 17.09 C ANISOU 654 CB LEU A 83 2227 2481 1785 367 -409 -427 C ATOM 655 CG LEU A 83 3.112 13.719 22.456 1.00 17.81 C ANISOU 655 CG LEU A 83 2277 2729 1763 488 -393 -421 C ATOM 656 CD1 LEU A 83 3.946 14.703 23.231 1.00 17.21 C ANISOU 656 CD1 LEU A 83 2418 2555 1566 641 -538 -445 C ATOM 657 CD2 LEU A 83 1.662 14.221 22.403 1.00 20.48 C ANISOU 657 CD2 LEU A 83 2356 3152 2272 494 -412 -96 C ATOM 0 H LEU A 83 4.015 11.150 21.513 1.00 16.76 H new ATOM 0 HA LEU A 83 2.078 12.414 20.226 1.00 16.67 H new ATOM 0 HB2 LEU A 83 4.603 13.413 21.070 1.00 17.09 H new ATOM 0 HB3 LEU A 83 3.469 14.334 20.524 1.00 17.09 H new ATOM 0 HG LEU A 83 3.158 12.862 22.908 1.00 17.81 H new ATOM 0 HD11 LEU A 83 3.584 14.801 24.125 1.00 17.21 H new ATOM 0 HD12 LEU A 83 4.859 14.381 23.286 1.00 17.21 H new ATOM 0 HD13 LEU A 83 3.934 15.563 22.782 1.00 17.21 H new ATOM 0 HD21 LEU A 83 1.329 14.344 23.306 1.00 20.48 H new ATOM 0 HD22 LEU A 83 1.629 15.066 21.929 1.00 20.48 H new ATOM 0 HD23 LEU A 83 1.111 13.570 21.941 1.00 20.48 H new ATOM 658 N LEU A 84 4.247 11.265 18.421 1.00 16.71 N ANISOU 658 N LEU A 84 2357 2194 1799 86 -45 -361 N ATOM 659 CA LEU A 84 4.819 11.178 17.075 1.00 16.25 C ANISOU 659 CA LEU A 84 2374 2125 1673 101 85 -356 C ATOM 660 C LEU A 84 4.004 10.303 16.121 1.00 18.53 C ANISOU 660 C LEU A 84 2498 2253 2290 62 185 -445 C ATOM 661 O LEU A 84 4.324 10.174 14.929 1.00 19.16 O ANISOU 661 O LEU A 84 2732 2536 2011 0 244 -615 O ATOM 662 CB LEU A 84 6.256 10.651 17.142 1.00 17.10 C ANISOU 662 CB LEU A 84 2286 2142 2069 271 -63 -394 C ATOM 663 CG LEU A 84 7.255 11.472 17.965 1.00 16.49 C ANISOU 663 CG LEU A 84 2292 2183 1790 333 -76 -39 C ATOM 664 CD1 LEU A 84 8.667 10.922 17.763 1.00 19.18 C ANISOU 664 CD1 LEU A 84 2168 2263 2856 443 -123 -380 C ATOM 665 CD2 LEU A 84 7.234 12.921 17.586 1.00 15.71 C ANISOU 665 CD2 LEU A 84 2285 2034 1650 354 -222 -3 C ATOM 0 H LEU A 84 4.385 10.570 18.909 1.00 16.71 H new ATOM 0 HA LEU A 84 4.803 12.080 16.718 1.00 16.25 H new ATOM 0 HB2 LEU A 84 6.232 9.752 17.505 1.00 17.10 H new ATOM 0 HB3 LEU A 84 6.595 10.582 16.236 1.00 17.10 H new ATOM 0 HG LEU A 84 6.995 11.399 18.897 1.00 16.49 H new ATOM 0 HD11 LEU A 84 9.296 11.444 18.285 1.00 19.18 H new ATOM 0 HD12 LEU A 84 8.698 9.996 18.051 1.00 19.18 H new ATOM 0 HD13 LEU A 84 8.904 10.976 16.824 1.00 19.18 H new ATOM 0 HD21 LEU A 84 7.877 13.406 18.126 1.00 15.71 H new ATOM 0 HD22 LEU A 84 7.465 13.014 16.648 1.00 15.71 H new ATOM 0 HD23 LEU A 84 6.347 13.282 17.738 1.00 15.71 H new ATOM 666 N SER A 85 2.952 9.700 16.642 1.00 17.97 N ANISOU 666 N SER A 85 2547 2208 2073 -194 29 -308 N ATOM 667 CA SER A 85 2.132 8.779 15.873 1.00 20.81 C ANISOU 667 CA SER A 85 2758 2449 2700 -511 -240 -528 C ATOM 668 C SER A 85 1.425 9.428 14.678 1.00 20.75 C ANISOU 668 C SER A 85 2739 2385 2760 -508 -273 -707 C ATOM 669 O SER A 85 1.122 10.616 14.685 1.00 18.97 O ANISOU 669 O SER A 85 2527 2258 2422 -288 53 -672 O ATOM 670 CB SER A 85 1.095 8.138 16.790 1.00 23.89 C ANISOU 670 CB SER A 85 2923 2810 3343 -703 -416 -482 C ATOM 671 OG SER A 85 0.215 7.311 16.045 1.00 26.96 O ANISOU 671 OG SER A 85 3166 3111 3967 -767 -508 -611 O ATOM 0 H SER A 85 2.691 9.812 17.454 1.00 17.97 H new ATOM 0 HA SER A 85 2.735 8.113 15.507 1.00 20.81 H new ATOM 0 HB2 SER A 85 1.540 7.613 17.473 1.00 23.89 H new ATOM 0 HB3 SER A 85 0.589 8.828 17.247 1.00 23.89 H new ATOM 0 HG SER A 85 0.353 6.506 16.242 1.00 26.96 H new ATOM 672 N SER A 86 1.129 8.636 13.655 1.00 22.61 N ANISOU 672 N SER A 86 3036 2577 2976 -684 -136 -976 N ATOM 673 CA SER A 86 0.363 9.148 12.523 1.00 24.47 C ANISOU 673 CA SER A 86 3247 2899 3153 -686 37 -1310 C ATOM 674 C SER A 86 -1.062 9.493 12.955 1.00 25.43 C ANISOU 674 C SER A 86 3173 2996 3493 -694 214 -1242 C ATOM 675 O SER A 86 -1.709 10.366 12.369 1.00 25.38 O ANISOU 675 O SER A 86 3279 3189 3174 -469 222 -1052 O ATOM 676 CB SER A 86 0.363 8.135 11.375 1.00 27.30 C ANISOU 676 CB SER A 86 3508 3086 3779 -758 5 -1281 C ATOM 677 OG SER A 86 -0.081 6.874 11.826 1.00 30.11 O ANISOU 677 OG SER A 86 3628 3332 4479 -754 56 -1215 O ATOM 0 H SER A 86 1.358 7.809 13.595 1.00 22.61 H new ATOM 0 HA SER A 86 0.784 9.961 12.204 1.00 24.47 H new ATOM 0 HB2 SER A 86 -0.212 8.449 10.660 1.00 27.30 H new ATOM 0 HB3 SER A 86 1.257 8.056 11.007 1.00 27.30 H new ATOM 0 HG SER A 86 0.569 6.342 11.856 1.00 30.11 H new ATOM 678 N ASP A 87 -1.532 8.816 13.998 1.00 24.97 N ANISOU 678 N ASP A 87 3069 2988 3432 -906 368 -1298 N ATOM 679 CA ASP A 87 -2.818 9.109 14.615 1.00 26.25 C ANISOU 679 CA ASP A 87 2991 3168 3813 -1135 252 -1442 C ATOM 680 C ASP A 87 -2.668 10.221 15.655 1.00 23.78 C ANISOU 680 C ASP A 87 2864 2978 3192 -934 500 -1282 C ATOM 681 O ASP A 87 -1.888 10.090 16.591 1.00 24.31 O ANISOU 681 O ASP A 87 3060 3011 3165 -738 536 -1331 O ATOM 682 CB ASP A 87 -3.376 7.851 15.268 1.00 29.84 C ANISOU 682 CB ASP A 87 3219 3629 4491 -1305 500 -1592 C ATOM 683 CG ASP A 87 -4.750 8.064 15.858 1.00 32.57 C ANISOU 683 CG ASP A 87 3469 3995 4909 -1488 777 -1737 C ATOM 684 OD1 ASP A 87 -4.844 8.692 16.929 1.00 32.38 O ANISOU 684 OD1 ASP A 87 3585 4063 4657 -1622 749 -2088 O ATOM 685 OD2 ASP A 87 -5.738 7.594 15.261 1.00 35.04 O ANISOU 685 OD2 ASP A 87 3732 4364 5216 -1245 571 -1625 O ATOM 0 H ASP A 87 -1.108 8.167 14.370 1.00 24.97 H new ATOM 0 HA ASP A 87 -3.434 9.410 13.929 1.00 26.25 H new ATOM 0 HB2 ASP A 87 -3.417 7.140 14.610 1.00 29.84 H new ATOM 0 HB3 ASP A 87 -2.770 7.557 15.966 1.00 29.84 H new ATOM 686 N ILE A 88 -3.426 11.296 15.502 1.00 21.23 N ANISOU 686 N ILE A 88 2693 2863 2512 -782 531 -1032 N ATOM 687 CA ILE A 88 -3.192 12.487 16.314 1.00 20.08 C ANISOU 687 CA ILE A 88 2540 2666 2424 -652 163 -854 C ATOM 688 C ILE A 88 -3.875 12.502 17.692 1.00 19.09 C ANISOU 688 C ILE A 88 2275 2478 2503 -787 85 -521 C ATOM 689 O ILE A 88 -3.808 13.509 18.402 1.00 18.27 O ANISOU 689 O ILE A 88 2235 2631 2076 -643 74 -625 O ATOM 690 CB ILE A 88 -3.613 13.787 15.541 1.00 20.22 C ANISOU 690 CB ILE A 88 2657 2870 2156 -394 9 -749 C ATOM 691 CG1 ILE A 88 -5.138 13.871 15.336 1.00 20.53 C ANISOU 691 CG1 ILE A 88 2606 2850 2345 -231 -458 -549 C ATOM 692 CG2 ILE A 88 -2.841 13.908 14.222 1.00 20.20 C ANISOU 692 CG2 ILE A 88 2838 3004 1831 -250 196 -974 C ATOM 693 CD1 ILE A 88 -5.605 15.216 14.760 1.00 21.41 C ANISOU 693 CD1 ILE A 88 2615 2884 2637 -186 -310 -764 C ATOM 0 H ILE A 88 -4.075 11.360 14.941 1.00 21.23 H new ATOM 0 HA ILE A 88 -2.237 12.463 16.481 1.00 20.08 H new ATOM 0 HB ILE A 88 -3.374 14.549 16.091 1.00 20.22 H new ATOM 0 HG12 ILE A 88 -5.417 13.158 14.741 1.00 20.53 H new ATOM 0 HG13 ILE A 88 -5.580 13.720 16.186 1.00 20.53 H new ATOM 0 HG21 ILE A 88 -3.114 14.716 13.760 1.00 20.20 H new ATOM 0 HG22 ILE A 88 -1.889 13.948 14.406 1.00 20.20 H new ATOM 0 HG23 ILE A 88 -3.030 13.137 13.664 1.00 20.20 H new ATOM 0 HD11 ILE A 88 -6.569 15.206 14.655 1.00 21.41 H new ATOM 0 HD12 ILE A 88 -5.353 15.932 15.364 1.00 21.41 H new ATOM 0 HD13 ILE A 88 -5.188 15.361 13.896 1.00 21.41 H new ATOM 694 N THR A 89 -4.510 11.394 18.087 1.00 19.65 N ANISOU 694 N THR A 89 2430 2477 2561 -776 268 -237 N ATOM 695 CA THR A 89 -5.262 11.371 19.350 1.00 20.11 C ANISOU 695 CA THR A 89 2505 2430 2704 -718 492 -283 C ATOM 696 C THR A 89 -4.442 11.847 20.560 1.00 19.53 C ANISOU 696 C THR A 89 2403 2233 2786 -486 471 -263 C ATOM 697 O THR A 89 -4.893 12.692 21.340 1.00 19.87 O ANISOU 697 O THR A 89 2380 2408 2763 -412 754 -333 O ATOM 698 CB THR A 89 -5.781 9.955 19.650 1.00 21.58 C ANISOU 698 CB THR A 89 2674 2719 2808 -897 536 -332 C ATOM 699 OG1 THR A 89 -6.635 9.537 18.581 1.00 23.93 O ANISOU 699 OG1 THR A 89 2789 3004 3299 -970 292 -419 O ATOM 700 CG2 THR A 89 -6.594 9.923 20.948 1.00 21.83 C ANISOU 700 CG2 THR A 89 2669 2775 2851 -1015 775 -216 C ATOM 0 H THR A 89 -4.519 10.655 17.647 1.00 19.65 H new ATOM 0 HA THR A 89 -5.998 11.990 19.222 1.00 20.11 H new ATOM 0 HB THR A 89 -5.016 9.366 19.742 1.00 21.58 H new ATOM 0 HG1 THR A 89 -6.210 9.029 18.064 1.00 23.93 H new ATOM 0 HG21 THR A 89 -6.908 9.020 21.111 1.00 21.83 H new ATOM 0 HG22 THR A 89 -6.035 10.209 21.687 1.00 21.83 H new ATOM 0 HG23 THR A 89 -7.355 10.520 20.868 1.00 21.83 H new ATOM 701 N ALA A 90 -3.249 11.292 20.732 1.00 19.40 N ANISOU 701 N ALA A 90 2355 2034 2982 -527 158 -101 N ATOM 702 CA ALA A 90 -2.460 11.646 21.897 1.00 18.64 C ANISOU 702 CA ALA A 90 2307 1894 2882 -158 95 183 C ATOM 703 C ALA A 90 -2.079 13.134 21.879 1.00 17.00 C ANISOU 703 C ALA A 90 2268 1915 2278 -24 69 -16 C ATOM 704 O ALA A 90 -2.165 13.824 22.908 1.00 16.74 O ANISOU 704 O ALA A 90 2235 2043 2084 56 328 174 O ATOM 705 CB ALA A 90 -1.225 10.776 21.992 1.00 20.27 C ANISOU 705 CB ALA A 90 2323 1802 3576 56 318 43 C ATOM 0 H ALA A 90 -2.887 10.722 20.199 1.00 19.40 H new ATOM 0 HA ALA A 90 -3.005 11.489 22.684 1.00 18.64 H new ATOM 0 HB1 ALA A 90 -0.711 11.027 22.776 1.00 20.27 H new ATOM 0 HB2 ALA A 90 -1.489 9.845 22.064 1.00 20.27 H new ATOM 0 HB3 ALA A 90 -0.682 10.897 21.198 1.00 20.27 H new ATOM 706 N SER A 91 -1.651 13.640 20.723 1.00 15.65 N ANISOU 706 N SER A 91 2113 1946 1888 -107 138 150 N ATOM 707 CA SER A 91 -1.322 15.063 20.609 1.00 15.13 C ANISOU 707 CA SER A 91 2081 1980 1686 -136 307 31 C ATOM 708 C SER A 91 -2.527 15.957 20.891 1.00 14.73 C ANISOU 708 C SER A 91 1944 1993 1661 -271 352 -309 C ATOM 709 O SER A 91 -2.406 16.965 21.580 1.00 15.49 O ANISOU 709 O SER A 91 2098 2186 1601 -72 320 -312 O ATOM 710 CB SER A 91 -0.746 15.378 19.231 1.00 15.40 C ANISOU 710 CB SER A 91 2046 2171 1633 -68 56 -117 C ATOM 711 OG SER A 91 0.608 14.960 19.179 1.00 16.09 O ANISOU 711 OG SER A 91 1839 2338 1937 122 -24 -98 O ATOM 0 H SER A 91 -1.545 13.184 20.001 1.00 15.65 H new ATOM 0 HA SER A 91 -0.651 15.252 21.284 1.00 15.13 H new ATOM 0 HB2 SER A 91 -1.261 14.927 18.544 1.00 15.40 H new ATOM 0 HB3 SER A 91 -0.808 16.330 19.053 1.00 15.40 H new ATOM 0 HG SER A 91 0.641 14.130 19.052 1.00 16.09 H new ATOM 712 N VAL A 92 -3.692 15.571 20.376 1.00 16.33 N ANISOU 712 N VAL A 92 1893 2172 2139 -251 226 -170 N ATOM 713 CA VAL A 92 -4.881 16.380 20.579 1.00 16.27 C ANISOU 713 CA VAL A 92 1905 2295 1982 -255 57 -148 C ATOM 714 C VAL A 92 -5.303 16.386 22.033 1.00 16.98 C ANISOU 714 C VAL A 92 2073 2242 2136 -437 148 -39 C ATOM 715 O VAL A 92 -5.591 17.455 22.594 1.00 17.92 O ANISOU 715 O VAL A 92 2177 2314 2317 -421 220 -395 O ATOM 716 CB VAL A 92 -6.039 15.898 19.705 1.00 16.35 C ANISOU 716 CB VAL A 92 1866 2465 1883 -292 43 -124 C ATOM 717 CG1 VAL A 92 -7.328 16.601 20.119 1.00 18.80 C ANISOU 717 CG1 VAL A 92 1954 2696 2491 -365 113 -453 C ATOM 718 CG2 VAL A 92 -5.697 16.160 18.251 1.00 16.92 C ANISOU 718 CG2 VAL A 92 1939 2547 1942 -426 -273 -110 C ATOM 0 H VAL A 92 -3.811 14.856 19.914 1.00 16.33 H new ATOM 0 HA VAL A 92 -4.654 17.287 20.319 1.00 16.27 H new ATOM 0 HB VAL A 92 -6.178 14.945 19.821 1.00 16.35 H new ATOM 0 HG11 VAL A 92 -8.059 16.292 19.561 1.00 18.80 H new ATOM 0 HG12 VAL A 92 -7.523 16.400 21.048 1.00 18.80 H new ATOM 0 HG13 VAL A 92 -7.223 17.559 20.011 1.00 18.80 H new ATOM 0 HG21 VAL A 92 -6.426 15.857 17.687 1.00 16.92 H new ATOM 0 HG22 VAL A 92 -5.558 17.111 18.117 1.00 16.92 H new ATOM 0 HG23 VAL A 92 -4.887 15.680 18.017 1.00 16.92 H new ATOM 719 N ASN A 93 -5.341 15.207 22.653 1.00 17.90 N ANISOU 719 N ASN A 93 2177 2327 2299 -508 271 145 N ATOM 720 CA ASN A 93 -5.768 15.126 24.041 1.00 19.72 C ANISOU 720 CA ASN A 93 2418 2505 2570 -406 346 167 C ATOM 721 C ASN A 93 -4.837 15.891 24.965 1.00 18.80 C ANISOU 721 C ASN A 93 2167 2504 2470 -46 478 163 C ATOM 722 O ASN A 93 -5.275 16.527 25.919 1.00 18.45 O ANISOU 722 O ASN A 93 1988 2521 2502 96 700 256 O ATOM 723 CB ASN A 93 -5.873 13.668 24.482 1.00 22.81 C ANISOU 723 CB ASN A 93 2858 2687 3121 -678 776 46 C ATOM 724 CG ASN A 93 -6.997 12.933 23.784 1.00 25.68 C ANISOU 724 CG ASN A 93 3099 2990 3669 -934 910 -146 C ATOM 725 OD1 ASN A 93 -7.834 13.551 23.104 1.00 26.82 O ANISOU 725 OD1 ASN A 93 2946 3182 4061 -1081 615 -307 O ATOM 726 ND2 ASN A 93 -7.058 11.621 23.981 1.00 27.36 N ANISOU 726 ND2 ASN A 93 3300 3076 4017 -1150 831 -273 N ATOM 0 H ASN A 93 -5.127 14.456 22.292 1.00 17.90 H new ATOM 0 HA ASN A 93 -6.644 15.539 24.101 1.00 19.72 H new ATOM 0 HB2 ASN A 93 -5.034 13.217 24.301 1.00 22.81 H new ATOM 0 HB3 ASN A 93 -6.013 13.632 25.441 1.00 22.81 H new ATOM 0 HD21 ASN A 93 -7.696 11.163 23.631 1.00 27.36 H new ATOM 0 HD22 ASN A 93 -6.459 11.230 24.458 1.00 27.36 H new ATOM 727 N CYS A 94 -3.541 15.834 24.681 1.00 16.20 N ANISOU 727 N CYS A 94 2058 2386 1712 34 437 320 N ATOM 728 CA CYS A 94 -2.577 16.577 25.488 1.00 16.09 C ANISOU 728 CA CYS A 94 2005 2218 1890 -38 146 155 C ATOM 729 C CYS A 94 -2.726 18.084 25.239 1.00 15.08 C ANISOU 729 C CYS A 94 1912 2189 1628 17 105 20 C ATOM 730 O CYS A 94 -2.726 18.869 26.193 1.00 15.51 O ANISOU 730 O CYS A 94 2123 2264 1507 71 233 101 O ATOM 731 CB CYS A 94 -1.159 16.089 25.207 1.00 16.01 C ANISOU 731 CB CYS A 94 2100 2290 1693 23 -209 -136 C ATOM 732 SG CYS A 94 0.076 16.769 26.321 1.00 16.29 S ANISOU 732 SG CYS A 94 2325 2248 1617 134 273 42 S ATOM 0 H CYS A 94 -3.201 15.379 24.035 1.00 16.20 H new ATOM 0 HA CYS A 94 -2.757 16.417 26.428 1.00 16.09 H new ATOM 0 HB2 CYS A 94 -1.141 15.121 25.269 1.00 16.01 H new ATOM 0 HB3 CYS A 94 -0.922 16.319 24.295 1.00 16.01 H new ATOM 733 N ALA A 95 -2.868 18.473 23.970 1.00 14.66 N ANISOU 733 N ALA A 95 1802 2071 1698 -216 284 221 N ATOM 734 CA ALA A 95 -3.098 19.887 23.636 1.00 14.12 C ANISOU 734 CA ALA A 95 1839 2166 1358 -146 267 217 C ATOM 735 C ALA A 95 -4.330 20.455 24.338 1.00 14.67 C ANISOU 735 C ALA A 95 1884 2092 1599 -82 440 315 C ATOM 736 O ALA A 95 -4.329 21.614 24.751 1.00 15.44 O ANISOU 736 O ALA A 95 2089 2041 1737 -75 420 149 O ATOM 737 CB ALA A 95 -3.217 20.080 22.109 1.00 14.76 C ANISOU 737 CB ALA A 95 1858 2282 1468 -161 26 120 C ATOM 0 H ALA A 95 -2.835 17.943 23.293 1.00 14.66 H new ATOM 0 HA ALA A 95 -2.326 20.380 23.957 1.00 14.12 H new ATOM 0 HB1 ALA A 95 -3.368 21.018 21.912 1.00 14.76 H new ATOM 0 HB2 ALA A 95 -2.397 19.788 21.681 1.00 14.76 H new ATOM 0 HB3 ALA A 95 -3.961 19.556 21.773 1.00 14.76 H new ATOM 738 N LYS A 96 -5.362 19.631 24.502 1.00 14.40 N ANISOU 738 N LYS A 96 1751 2201 1519 -52 491 258 N ATOM 739 CA LYS A 96 -6.564 20.098 25.200 1.00 15.12 C ANISOU 739 CA LYS A 96 1837 2266 1640 -208 425 -91 C ATOM 740 C LYS A 96 -6.250 20.417 26.659 1.00 15.64 C ANISOU 740 C LYS A 96 2021 2155 1768 -136 457 66 C ATOM 741 O LYS A 96 -6.747 21.387 27.209 1.00 16.13 O ANISOU 741 O LYS A 96 2096 2276 1758 -25 314 42 O ATOM 742 CB LYS A 96 -7.689 19.061 25.102 1.00 16.39 C ANISOU 742 CB LYS A 96 1924 2524 1780 -387 378 -316 C ATOM 743 CG LYS A 96 -8.358 19.025 23.743 1.00 17.14 C ANISOU 743 CG LYS A 96 1909 2618 1985 -510 99 -83 C ATOM 744 CD LYS A 96 -9.381 17.918 23.670 1.00 20.22 C ANISOU 744 CD LYS A 96 2025 2962 2695 -521 20 -63 C ATOM 745 CE LYS A 96 -10.044 17.899 22.309 1.00 21.92 C ANISOU 745 CE LYS A 96 2310 3276 2742 -811 -205 -98 C ATOM 746 NZ LYS A 96 -11.011 16.768 22.189 1.00 23.48 N ANISOU 746 NZ LYS A 96 2501 3384 3036 -1117 233 -221 N ATOM 0 H LYS A 96 -5.391 18.817 24.225 1.00 14.40 H new ATOM 0 HA LYS A 96 -6.866 20.913 24.769 1.00 15.12 H new ATOM 0 HB2 LYS A 96 -7.328 18.183 25.301 1.00 16.39 H new ATOM 0 HB3 LYS A 96 -8.357 19.253 25.779 1.00 16.39 H new ATOM 0 HG2 LYS A 96 -8.786 19.877 23.568 1.00 17.14 H new ATOM 0 HG3 LYS A 96 -7.688 18.897 23.053 1.00 17.14 H new ATOM 0 HD2 LYS A 96 -8.954 17.064 23.840 1.00 20.22 H new ATOM 0 HD3 LYS A 96 -10.051 18.043 24.361 1.00 20.22 H new ATOM 0 HE2 LYS A 96 -10.506 18.739 22.161 1.00 21.92 H new ATOM 0 HE3 LYS A 96 -9.367 17.822 21.619 1.00 21.92 H new ATOM 0 HZ1 LYS A 96 -11.032 16.484 21.346 1.00 23.48 H new ATOM 0 HZ2 LYS A 96 -10.756 16.101 22.720 1.00 23.48 H new ATOM 0 HZ3 LYS A 96 -11.822 17.044 22.429 1.00 23.48 H new ATOM 747 N LYS A 97 -5.410 19.602 27.279 1.00 16.65 N ANISOU 747 N LYS A 97 2221 2254 1852 -50 282 286 N ATOM 748 CA LYS A 97 -4.993 19.867 28.649 1.00 17.18 C ANISOU 748 CA LYS A 97 2423 2306 1799 58 572 525 C ATOM 749 C LYS A 97 -4.185 21.168 28.698 1.00 15.53 C ANISOU 749 C LYS A 97 2313 2247 1342 -7 549 335 C ATOM 750 O LYS A 97 -4.416 22.038 29.536 1.00 17.10 O ANISOU 750 O LYS A 97 2584 2411 1502 143 482 -80 O ATOM 751 CB LYS A 97 -4.175 18.697 29.192 1.00 21.79 C ANISOU 751 CB LYS A 97 2778 2578 2923 284 580 428 C ATOM 752 CG LYS A 97 -3.879 18.784 30.670 1.00 30.33 C ANISOU 752 CG LYS A 97 3284 3157 5084 449 893 335 C ATOM 753 CD LYS A 97 -3.396 17.438 31.192 1.00 36.24 C ANISOU 753 CD LYS A 97 3655 3546 6567 522 966 501 C ATOM 754 CE LYS A 97 -4.375 16.331 30.796 1.00 41.38 C ANISOU 754 CE LYS A 97 3931 3860 7932 421 1043 411 C ATOM 755 NZ LYS A 97 -3.967 14.980 31.268 1.00 44.23 N ANISOU 755 NZ LYS A 97 4110 4092 8605 297 1164 389 N ATOM 0 H LYS A 97 -5.071 18.894 26.928 1.00 16.65 H new ATOM 0 HA LYS A 97 -5.779 19.967 29.209 1.00 17.18 H new ATOM 0 HB2 LYS A 97 -4.653 17.872 29.016 1.00 21.79 H new ATOM 0 HB3 LYS A 97 -3.337 18.648 28.707 1.00 21.79 H new ATOM 0 HG2 LYS A 97 -3.204 19.462 30.832 1.00 30.33 H new ATOM 0 HG3 LYS A 97 -4.676 19.057 31.150 1.00 30.33 H new ATOM 0 HD2 LYS A 97 -2.516 17.243 30.834 1.00 36.24 H new ATOM 0 HD3 LYS A 97 -3.309 17.471 32.158 1.00 36.24 H new ATOM 0 HE2 LYS A 97 -5.251 16.540 31.156 1.00 41.38 H new ATOM 0 HE3 LYS A 97 -4.461 16.316 29.830 1.00 41.38 H new ATOM 0 HZ1 LYS A 97 -3.959 14.415 30.580 1.00 44.23 H new ATOM 0 HZ2 LYS A 97 -3.153 15.023 31.626 1.00 44.23 H new ATOM 0 HZ3 LYS A 97 -4.545 14.692 31.881 1.00 44.23 H new ATOM 756 N ILE A 98 -3.260 21.320 27.764 1.00 14.72 N ANISOU 756 N ILE A 98 1990 2100 1503 -29 252 353 N ATOM 757 CA ILE A 98 -2.360 22.466 27.773 1.00 14.63 C ANISOU 757 CA ILE A 98 1931 2073 1556 -1 198 95 C ATOM 758 C ILE A 98 -3.148 23.770 27.618 1.00 14.05 C ANISOU 758 C ILE A 98 2081 2062 1194 131 76 43 C ATOM 759 O ILE A 98 -2.937 24.729 28.367 1.00 15.49 O ANISOU 759 O ILE A 98 2200 2247 1440 225 -5 -65 O ATOM 760 CB ILE A 98 -1.309 22.350 26.657 1.00 14.90 C ANISOU 760 CB ILE A 98 1903 2112 1647 35 271 120 C ATOM 761 CG1 ILE A 98 -0.395 21.144 26.900 1.00 16.15 C ANISOU 761 CG1 ILE A 98 2119 2118 1898 215 55 104 C ATOM 762 CG2 ILE A 98 -0.526 23.660 26.522 1.00 15.83 C ANISOU 762 CG2 ILE A 98 1863 2267 1886 -319 269 91 C ATOM 763 CD1 ILE A 98 0.500 20.799 25.714 1.00 17.32 C ANISOU 763 CD1 ILE A 98 2263 2314 2004 286 405 174 C ATOM 0 H ILE A 98 -3.135 20.771 27.114 1.00 14.72 H new ATOM 0 HA ILE A 98 -1.900 22.477 28.627 1.00 14.63 H new ATOM 0 HB ILE A 98 -1.759 22.198 25.811 1.00 14.90 H new ATOM 0 HG12 ILE A 98 0.162 21.322 27.674 1.00 16.15 H new ATOM 0 HG13 ILE A 98 -0.942 20.373 27.116 1.00 16.15 H new ATOM 0 HG21 ILE A 98 0.133 23.572 25.815 1.00 15.83 H new ATOM 0 HG22 ILE A 98 -1.137 24.382 26.306 1.00 15.83 H new ATOM 0 HG23 ILE A 98 -0.077 23.857 27.359 1.00 15.83 H new ATOM 0 HD11 ILE A 98 1.049 20.030 25.935 1.00 17.32 H new ATOM 0 HD12 ILE A 98 -0.050 20.591 24.943 1.00 17.32 H new ATOM 0 HD13 ILE A 98 1.071 21.555 25.509 1.00 17.32 H new ATOM 764 N VAL A 99 -4.058 23.814 26.654 1.00 14.64 N ANISOU 764 N VAL A 99 2104 2115 1342 69 48 25 N ATOM 765 CA VAL A 99 -4.751 25.056 26.321 1.00 14.92 C ANISOU 765 CA VAL A 99 2263 2318 1090 367 270 -67 C ATOM 766 C VAL A 99 -5.768 25.438 27.397 1.00 17.38 C ANISOU 766 C VAL A 99 2671 2498 1433 468 532 -74 C ATOM 767 O VAL A 99 -6.242 26.568 27.444 1.00 18.88 O ANISOU 767 O VAL A 99 2913 2504 1757 655 680 -64 O ATOM 768 CB VAL A 99 -5.434 24.930 24.944 1.00 15.08 C ANISOU 768 CB VAL A 99 2039 2245 1445 270 84 216 C ATOM 769 CG1 VAL A 99 -6.671 24.026 25.018 1.00 15.39 C ANISOU 769 CG1 VAL A 99 1934 2133 1783 118 342 329 C ATOM 770 CG2 VAL A 99 -5.783 26.309 24.362 1.00 15.17 C ANISOU 770 CG2 VAL A 99 1994 2153 1615 409 73 14 C ATOM 0 H VAL A 99 -4.291 23.136 26.179 1.00 14.64 H new ATOM 0 HA VAL A 99 -4.091 25.766 26.281 1.00 14.92 H new ATOM 0 HB VAL A 99 -4.800 24.512 24.340 1.00 15.08 H new ATOM 0 HG11 VAL A 99 -7.080 23.964 24.141 1.00 15.39 H new ATOM 0 HG12 VAL A 99 -6.408 23.141 25.314 1.00 15.39 H new ATOM 0 HG13 VAL A 99 -7.309 24.400 25.646 1.00 15.39 H new ATOM 0 HG21 VAL A 99 -6.210 26.197 23.498 1.00 15.17 H new ATOM 0 HG22 VAL A 99 -6.388 26.771 24.964 1.00 15.17 H new ATOM 0 HG23 VAL A 99 -4.972 26.830 24.256 1.00 15.17 H new ATOM 771 N SER A 100 -6.080 24.493 28.276 1.00 18.92 N ANISOU 771 N SER A 100 2896 2848 1444 362 856 196 N ATOM 772 CA SER A 100 -7.026 24.705 29.365 1.00 21.79 C ANISOU 772 CA SER A 100 3388 3154 1739 366 923 265 C ATOM 773 C SER A 100 -6.341 25.192 30.631 1.00 23.30 C ANISOU 773 C SER A 100 3893 3305 1653 452 812 173 C ATOM 774 O SER A 100 -7.008 25.460 31.630 1.00 25.74 O ANISOU 774 O SER A 100 4095 3705 1978 367 800 -110 O ATOM 775 CB SER A 100 -7.784 23.410 29.654 1.00 21.97 C ANISOU 775 CB SER A 100 3368 3410 1570 391 992 -195 C ATOM 776 OG SER A 100 -8.540 23.001 28.527 1.00 23.03 O ANISOU 776 OG SER A 100 3260 3644 1845 534 616 -264 O ATOM 0 H SER A 100 -5.745 23.701 28.257 1.00 18.92 H new ATOM 0 HA SER A 100 -7.646 25.395 29.082 1.00 21.79 H new ATOM 0 HB2 SER A 100 -7.156 22.712 29.897 1.00 21.97 H new ATOM 0 HB3 SER A 100 -8.373 23.539 30.413 1.00 21.97 H new ATOM 0 HG SER A 100 -8.074 22.494 28.046 1.00 23.03 H new ATOM 777 N ASP A 101 -5.017 25.296 30.612 1.00 23.96 N ANISOU 777 N ASP A 101 4292 3315 1498 548 397 326 N ATOM 778 CA ASP A 101 -4.296 25.429 31.874 1.00 27.73 C ANISOU 778 CA ASP A 101 4637 3697 2203 759 91 -40 C ATOM 779 C ASP A 101 -4.120 26.869 32.345 1.00 30.46 C ANISOU 779 C ASP A 101 4734 3691 3149 876 -44 -75 C ATOM 780 O ASP A 101 -3.544 27.100 33.407 1.00 31.57 O ANISOU 780 O ASP A 101 4764 3803 3426 969 -248 -289 O ATOM 781 CB ASP A 101 -2.925 24.737 31.797 1.00 29.97 C ANISOU 781 CB ASP A 101 4807 4036 2543 849 -116 128 C ATOM 782 CG ASP A 101 -1.889 25.512 30.988 1.00 33.20 C ANISOU 782 CG ASP A 101 4997 4292 3326 990 14 82 C ATOM 783 OD1 ASP A 101 -2.163 26.629 30.482 1.00 33.60 O ANISOU 783 OD1 ASP A 101 5047 4375 3344 1025 246 -205 O ATOM 784 OD2 ASP A 101 -0.759 24.990 30.873 1.00 34.43 O ANISOU 784 OD2 ASP A 101 5082 4351 3648 1086 107 219 O ATOM 0 H ASP A 101 -4.529 25.292 29.904 1.00 23.96 H new ATOM 0 HA ASP A 101 -4.855 24.990 32.534 1.00 27.73 H new ATOM 0 HB2 ASP A 101 -2.588 24.605 32.697 1.00 29.97 H new ATOM 0 HB3 ASP A 101 -3.038 23.857 31.404 1.00 29.97 H new ATOM 785 N GLY A 102 -4.598 27.836 31.562 1.00 26.97 N ANISOU 785 N GLY A 102 4681 3509 2056 808 -47 152 N ATOM 786 CA GLY A 102 -4.557 29.226 31.998 1.00 25.75 C ANISOU 786 CA GLY A 102 4569 3485 1731 796 246 29 C ATOM 787 C GLY A 102 -4.101 30.228 30.947 1.00 24.78 C ANISOU 787 C GLY A 102 4377 3491 1546 917 218 -158 C ATOM 788 O GLY A 102 -4.629 31.336 30.878 1.00 25.37 O ANISOU 788 O GLY A 102 4390 3486 1762 919 260 -376 O ATOM 0 H GLY A 102 -4.945 27.709 30.786 1.00 26.97 H new ATOM 0 HA2 GLY A 102 -5.443 29.480 32.302 1.00 25.75 H new ATOM 0 HA3 GLY A 102 -3.965 29.291 32.763 1.00 25.75 H new ATOM 789 N ASN A 103 -3.126 29.851 30.123 1.00 24.21 N ANISOU 789 N ASN A 103 4155 3573 1468 836 155 -284 N ATOM 790 CA ASN A 103 -2.552 30.802 29.166 1.00 22.68 C ANISOU 790 CA ASN A 103 3734 3577 1306 698 -163 -577 C ATOM 791 C ASN A 103 -3.064 30.596 27.749 1.00 17.86 C ANISOU 791 C ASN A 103 2955 2715 1117 508 78 -253 C ATOM 792 O ASN A 103 -2.624 31.260 26.798 1.00 16.81 O ANISOU 792 O ASN A 103 2549 2612 1225 252 139 -403 O ATOM 793 CB ASN A 103 -1.034 30.712 29.176 1.00 28.76 C ANISOU 793 CB ASN A 103 4200 4308 2420 592 -1034 -805 C ATOM 794 CG ASN A 103 -0.454 31.041 30.526 1.00 34.80 C ANISOU 794 CG ASN A 103 4723 4597 3901 461 -1086 -557 C ATOM 795 OD1 ASN A 103 -0.386 32.206 30.905 1.00 37.29 O ANISOU 795 OD1 ASN A 103 5060 4623 4487 283 -980 -775 O ATOM 796 ND2 ASN A 103 -0.030 30.015 31.261 1.00 35.57 N ANISOU 796 ND2 ASN A 103 4800 4786 3930 486 -1140 -352 N ATOM 0 H ASN A 103 -2.785 29.062 30.099 1.00 24.21 H new ATOM 0 HA ASN A 103 -2.835 31.685 29.451 1.00 22.68 H new ATOM 0 HB2 ASN A 103 -0.763 29.817 28.919 1.00 28.76 H new ATOM 0 HB3 ASN A 103 -0.671 31.320 28.513 1.00 28.76 H new ATOM 0 HD21 ASN A 103 0.310 30.154 32.039 1.00 35.57 H new ATOM 0 HD22 ASN A 103 -0.096 29.213 30.958 1.00 35.57 H new ATOM 797 N GLY A 104 -4.027 29.698 27.612 1.00 16.59 N ANISOU 797 N GLY A 104 2744 2170 1388 368 166 -312 N ATOM 798 CA GLY A 104 -4.618 29.429 26.318 1.00 15.87 C ANISOU 798 CA GLY A 104 2433 2128 1468 273 427 30 C ATOM 799 C GLY A 104 -3.542 29.015 25.327 1.00 14.51 C ANISOU 799 C GLY A 104 2076 2026 1411 306 518 -188 C ATOM 800 O GLY A 104 -2.586 28.298 25.672 1.00 16.24 O ANISOU 800 O GLY A 104 2386 2214 1568 535 419 -74 O ATOM 0 H GLY A 104 -4.352 29.234 28.259 1.00 16.59 H new ATOM 0 HA2 GLY A 104 -5.282 28.726 26.398 1.00 15.87 H new ATOM 0 HA3 GLY A 104 -5.079 30.219 25.995 1.00 15.87 H new ATOM 801 N MET A 105 -3.670 29.465 24.088 1.00 13.14 N ANISOU 801 N MET A 105 1721 1982 1289 -29 311 19 N ATOM 802 CA MET A 105 -2.728 29.014 23.055 1.00 11.92 C ANISOU 802 CA MET A 105 1655 1781 1094 0 218 -161 C ATOM 803 C MET A 105 -1.402 29.758 23.103 1.00 12.55 C ANISOU 803 C MET A 105 1561 1782 1423 37 186 -91 C ATOM 804 O MET A 105 -0.502 29.417 22.352 1.00 13.30 O ANISOU 804 O MET A 105 1644 1895 1513 174 282 -53 O ATOM 805 CB MET A 105 -3.345 29.106 21.649 1.00 12.43 C ANISOU 805 CB MET A 105 1582 1878 1263 60 332 167 C ATOM 806 CG MET A 105 -4.388 28.018 21.400 1.00 13.25 C ANISOU 806 CG MET A 105 1667 1912 1456 -5 367 109 C ATOM 807 SD MET A 105 -4.822 27.790 19.668 1.00 13.61 S ANISOU 807 SD MET A 105 1728 2045 1397 45 80 32 S ATOM 808 CE MET A 105 -3.354 26.956 19.093 1.00 14.27 C ANISOU 808 CE MET A 105 1927 2214 1283 219 322 -6 C ATOM 0 H MET A 105 -4.274 30.016 23.822 1.00 13.14 H new ATOM 0 HA MET A 105 -2.542 28.082 23.250 1.00 11.92 H new ATOM 0 HB2 MET A 105 -3.756 29.977 21.535 1.00 12.43 H new ATOM 0 HB3 MET A 105 -2.642 29.035 20.984 1.00 12.43 H new ATOM 0 HG2 MET A 105 -4.054 27.178 21.752 1.00 13.25 H new ATOM 0 HG3 MET A 105 -5.192 28.235 21.898 1.00 13.25 H new ATOM 0 HE1 MET A 105 -3.513 26.594 18.207 1.00 14.27 H new ATOM 0 HE2 MET A 105 -2.617 27.586 19.057 1.00 14.27 H new ATOM 0 HE3 MET A 105 -3.133 26.234 19.702 1.00 14.27 H new ATOM 809 N ASN A 106 -1.267 30.733 23.999 1.00 13.45 N ANISOU 809 N ASN A 106 1671 1870 1570 -30 -10 -153 N ATOM 810 CA ASN A 106 0.025 31.400 24.174 1.00 15.00 C ANISOU 810 CA ASN A 106 1923 1880 1896 97 -6 -325 C ATOM 811 C ASN A 106 1.139 30.435 24.602 1.00 15.32 C ANISOU 811 C ASN A 106 2025 2274 1522 312 -173 -239 C ATOM 812 O ASN A 106 2.323 30.754 24.470 1.00 16.26 O ANISOU 812 O ASN A 106 1797 2433 1949 370 -190 -333 O ATOM 813 CB ASN A 106 -0.089 32.541 25.186 1.00 14.86 C ANISOU 813 CB ASN A 106 2042 1752 1850 175 -154 -394 C ATOM 814 CG ASN A 106 -0.925 33.686 24.663 1.00 15.53 C ANISOU 814 CG ASN A 106 2244 2067 1591 151 190 -309 C ATOM 815 OD1 ASN A 106 -0.566 34.324 23.673 1.00 16.29 O ANISOU 815 OD1 ASN A 106 2012 2269 1910 131 233 -231 O ATOM 816 ND2 ASN A 106 -2.067 33.939 25.305 1.00 17.30 N ANISOU 816 ND2 ASN A 106 2359 2427 1789 524 265 -148 N ATOM 0 H ASN A 106 -1.898 31.021 24.508 1.00 13.45 H new ATOM 0 HA ASN A 106 0.269 31.758 23.306 1.00 15.00 H new ATOM 0 HB2 ASN A 106 -0.481 32.205 26.007 1.00 14.86 H new ATOM 0 HB3 ASN A 106 0.798 32.865 25.407 1.00 14.86 H new ATOM 0 HD21 ASN A 106 -2.584 34.569 25.030 1.00 17.30 H new ATOM 0 HD22 ASN A 106 -2.286 33.472 25.994 1.00 17.30 H new ATOM 817 N ALA A 107 0.753 29.255 25.079 1.00 15.94 N ANISOU 817 N ALA A 107 2198 2135 1725 378 102 -81 N ATOM 818 CA ALA A 107 1.705 28.196 25.432 1.00 16.36 C ANISOU 818 CA ALA A 107 2212 2061 1942 431 284 80 C ATOM 819 C ALA A 107 2.556 27.823 24.229 1.00 14.50 C ANISOU 819 C ALA A 107 1964 2009 1536 472 216 148 C ATOM 820 O ALA A 107 3.700 27.385 24.384 1.00 17.35 O ANISOU 820 O ALA A 107 2110 2489 1995 695 53 225 O ATOM 821 CB ALA A 107 0.971 26.968 25.960 1.00 18.00 C ANISOU 821 CB ALA A 107 2472 2182 2183 451 429 411 C ATOM 0 H ALA A 107 -0.070 29.042 25.209 1.00 15.94 H new ATOM 0 HA ALA A 107 2.287 28.532 26.132 1.00 16.36 H new ATOM 0 HB1 ALA A 107 1.615 26.279 26.188 1.00 18.00 H new ATOM 0 HB2 ALA A 107 0.463 27.209 26.750 1.00 18.00 H new ATOM 0 HB3 ALA A 107 0.368 26.633 25.278 1.00 18.00 H new ATOM 822 N TRP A 108 1.980 27.956 23.038 1.00 13.03 N ANISOU 822 N TRP A 108 1846 1953 1152 71 236 160 N ATOM 823 CA TRP A 108 2.708 27.708 21.799 1.00 14.26 C ANISOU 823 CA TRP A 108 1738 1933 1749 99 178 256 C ATOM 824 C TRP A 108 3.280 29.017 21.291 1.00 15.05 C ANISOU 824 C TRP A 108 1661 2261 1795 -49 163 673 C ATOM 825 O TRP A 108 2.559 29.882 20.785 1.00 15.69 O ANISOU 825 O TRP A 108 1776 2215 1971 -22 33 568 O ATOM 826 CB TRP A 108 1.810 27.077 20.739 1.00 12.91 C ANISOU 826 CB TRP A 108 1679 1814 1411 5 227 70 C ATOM 827 CG TRP A 108 1.445 25.668 21.031 1.00 12.64 C ANISOU 827 CG TRP A 108 1734 1649 1418 141 206 -98 C ATOM 828 CD1 TRP A 108 2.156 24.573 20.688 1.00 13.77 C ANISOU 828 CD1 TRP A 108 1836 1693 1703 178 163 -109 C ATOM 829 CD2 TRP A 108 0.285 25.194 21.742 1.00 12.20 C ANISOU 829 CD2 TRP A 108 1831 1622 1182 152 170 -15 C ATOM 830 NE1 TRP A 108 1.528 23.440 21.145 1.00 14.04 N ANISOU 830 NE1 TRP A 108 1943 1822 1571 282 399 -83 N ATOM 831 CE2 TRP A 108 0.361 23.785 21.772 1.00 12.88 C ANISOU 831 CE2 TRP A 108 1911 1714 1271 163 286 90 C ATOM 832 CE3 TRP A 108 -0.811 25.821 22.327 1.00 13.77 C ANISOU 832 CE3 TRP A 108 1930 1740 1564 55 229 -150 C ATOM 833 CZ2 TRP A 108 -0.620 22.990 22.376 1.00 13.13 C ANISOU 833 CZ2 TRP A 108 1866 1731 1392 231 -50 -53 C ATOM 834 CZ3 TRP A 108 -1.791 25.032 22.933 1.00 14.32 C ANISOU 834 CZ3 TRP A 108 1952 1835 1653 -28 -44 -123 C ATOM 835 CH2 TRP A 108 -1.682 23.632 22.960 1.00 14.02 C ANISOU 835 CH2 TRP A 108 1906 1763 1658 185 -102 -219 C ATOM 0 H TRP A 108 1.160 28.191 22.926 1.00 13.03 H new ATOM 0 HA TRP A 108 3.426 27.082 21.981 1.00 14.26 H new ATOM 0 HB2 TRP A 108 0.999 27.603 20.658 1.00 12.91 H new ATOM 0 HB3 TRP A 108 2.260 27.115 19.880 1.00 12.91 H new ATOM 0 HD1 TRP A 108 2.955 24.584 20.212 1.00 13.77 H new ATOM 0 HE1 TRP A 108 1.823 22.637 21.052 1.00 14.04 H new ATOM 0 HE3 TRP A 108 -0.889 26.748 22.315 1.00 13.77 H new ATOM 0 HZ2 TRP A 108 -0.554 22.062 22.381 1.00 13.13 H new ATOM 0 HZ3 TRP A 108 -2.529 25.441 23.325 1.00 14.32 H new ATOM 0 HH2 TRP A 108 -2.342 23.131 23.382 1.00 14.02 H new ATOM 836 N VAL A 109 4.587 29.173 21.464 1.00 18.15 N ANISOU 836 N VAL A 109 1757 2705 2432 -172 -24 1220 N ATOM 837 CA VAL A 109 5.245 30.415 21.109 1.00 20.34 C ANISOU 837 CA VAL A 109 1877 3130 2720 -476 -340 1373 C ATOM 838 C VAL A 109 5.012 30.754 19.639 1.00 18.54 C ANISOU 838 C VAL A 109 1825 2864 2357 -412 18 1053 C ATOM 839 O VAL A 109 4.768 31.917 19.290 1.00 18.24 O ANISOU 839 O VAL A 109 1838 2742 2350 -539 -227 903 O ATOM 840 CB VAL A 109 6.759 30.338 21.409 1.00 23.80 C ANISOU 840 CB VAL A 109 2138 3648 3256 -662 -780 1597 C ATOM 841 CG1 VAL A 109 7.414 31.647 21.047 1.00 24.88 C ANISOU 841 CG1 VAL A 109 2143 3591 3718 -902 -703 1493 C ATOM 842 CG2 VAL A 109 6.992 30.028 22.879 1.00 27.21 C ANISOU 842 CG2 VAL A 109 2403 3998 3937 -516 -870 1311 C ATOM 0 H VAL A 109 5.108 28.569 21.786 1.00 18.15 H new ATOM 0 HA VAL A 109 4.860 31.122 21.650 1.00 20.34 H new ATOM 0 HB VAL A 109 7.150 29.626 20.878 1.00 23.80 H new ATOM 0 HG11 VAL A 109 8.364 31.597 21.236 1.00 24.88 H new ATOM 0 HG12 VAL A 109 7.282 31.825 20.103 1.00 24.88 H new ATOM 0 HG13 VAL A 109 7.018 32.362 21.569 1.00 24.88 H new ATOM 0 HG21 VAL A 109 7.945 29.983 23.053 1.00 27.21 H new ATOM 0 HG22 VAL A 109 6.597 30.727 23.424 1.00 27.21 H new ATOM 0 HG23 VAL A 109 6.583 29.177 23.099 1.00 27.21 H new ATOM 843 N ALA A 110 5.055 29.751 18.772 1.00 17.81 N ANISOU 843 N ALA A 110 1742 2703 2320 46 207 800 N ATOM 844 CA ALA A 110 4.866 30.013 17.346 1.00 16.36 C ANISOU 844 CA ALA A 110 1840 2483 1893 201 304 486 C ATOM 845 C ALA A 110 3.452 30.471 17.062 1.00 15.49 C ANISOU 845 C ALA A 110 1920 2205 1759 128 234 645 C ATOM 846 O ALA A 110 3.231 31.271 16.158 1.00 14.95 O ANISOU 846 O ALA A 110 1975 2188 1519 -98 168 492 O ATOM 847 CB ALA A 110 5.195 28.794 16.514 1.00 18.23 C ANISOU 847 CB ALA A 110 2067 2525 2336 125 585 276 C ATOM 0 H ALA A 110 5.189 28.927 18.979 1.00 17.81 H new ATOM 0 HA ALA A 110 5.478 30.724 17.099 1.00 16.36 H new ATOM 0 HB1 ALA A 110 5.061 28.997 15.575 1.00 18.23 H new ATOM 0 HB2 ALA A 110 6.120 28.542 16.661 1.00 18.23 H new ATOM 0 HB3 ALA A 110 4.615 28.060 16.772 1.00 18.23 H new ATOM 848 N TRP A 111 2.478 29.944 17.796 1.00 15.66 N ANISOU 848 N TRP A 111 1715 2179 2054 25 131 561 N ATOM 849 CA TRP A 111 1.124 30.469 17.662 1.00 14.79 C ANISOU 849 CA TRP A 111 1735 2016 1867 67 -2 484 C ATOM 850 C TRP A 111 1.096 31.955 18.048 1.00 13.71 C ANISOU 850 C TRP A 111 1954 1939 1316 -249 -76 366 C ATOM 851 O TRP A 111 0.538 32.792 17.326 1.00 13.89 O ANISOU 851 O TRP A 111 1908 1814 1554 -145 -22 447 O ATOM 852 CB TRP A 111 0.102 29.674 18.503 1.00 13.88 C ANISOU 852 CB TRP A 111 1620 1953 1701 20 69 326 C ATOM 853 CG TRP A 111 -1.286 30.273 18.384 1.00 12.58 C ANISOU 853 CG TRP A 111 1726 1836 1216 91 -74 225 C ATOM 854 CD1 TRP A 111 -2.222 30.014 17.414 1.00 13.61 C ANISOU 854 CD1 TRP A 111 1830 1841 1499 155 -194 -91 C ATOM 855 CD2 TRP A 111 -1.884 31.247 19.258 1.00 13.31 C ANISOU 855 CD2 TRP A 111 1831 1785 1442 4 37 153 C ATOM 856 NE1 TRP A 111 -3.354 30.781 17.624 1.00 13.33 N ANISOU 856 NE1 TRP A 111 1845 1924 1297 47 -32 61 N ATOM 857 CE2 TRP A 111 -3.168 31.542 18.749 1.00 13.62 C ANISOU 857 CE2 TRP A 111 1923 1904 1347 48 117 74 C ATOM 858 CE3 TRP A 111 -1.453 31.904 20.421 1.00 14.08 C ANISOU 858 CE3 TRP A 111 1926 1858 1565 -187 223 -93 C ATOM 859 CZ2 TRP A 111 -4.022 32.466 19.362 1.00 13.85 C ANISOU 859 CZ2 TRP A 111 1988 1776 1498 64 228 11 C ATOM 860 CZ3 TRP A 111 -2.295 32.803 21.026 1.00 14.85 C ANISOU 860 CZ3 TRP A 111 2118 1897 1626 -246 230 47 C ATOM 861 CH2 TRP A 111 -3.558 33.088 20.500 1.00 14.71 C ANISOU 861 CH2 TRP A 111 2011 1824 1756 -55 189 180 C ATOM 0 H TRP A 111 2.574 29.302 18.360 1.00 15.66 H new ATOM 0 HA TRP A 111 0.864 30.372 16.733 1.00 14.79 H new ATOM 0 HB2 TRP A 111 0.085 28.750 18.208 1.00 13.88 H new ATOM 0 HB3 TRP A 111 0.377 29.670 19.433 1.00 13.88 H new ATOM 0 HD1 TRP A 111 -2.111 29.410 16.716 1.00 13.61 H new ATOM 0 HE1 TRP A 111 -4.058 30.780 17.130 1.00 13.33 H new ATOM 0 HE3 TRP A 111 -0.611 31.733 20.776 1.00 14.08 H new ATOM 0 HZ2 TRP A 111 -4.865 32.652 19.016 1.00 13.85 H new ATOM 0 HZ3 TRP A 111 -2.019 33.232 21.803 1.00 14.85 H new ATOM 0 HH2 TRP A 111 -4.098 33.712 20.928 1.00 14.71 H new ATOM 862 N ARG A 112 1.696 32.300 19.178 1.00 14.51 N ANISOU 862 N ARG A 112 1987 2174 1351 -314 -44 58 N ATOM 863 CA ARG A 112 1.654 33.674 19.640 1.00 15.96 C ANISOU 863 CA ARG A 112 2302 2522 1239 -311 15 127 C ATOM 864 C ARG A 112 2.331 34.605 18.634 1.00 15.26 C ANISOU 864 C ARG A 112 2080 2222 1498 -231 -161 294 C ATOM 865 O ARG A 112 1.814 35.684 18.323 1.00 16.20 O ANISOU 865 O ARG A 112 2170 1954 2030 -233 -4 175 O ATOM 866 CB ARG A 112 2.304 33.796 21.013 1.00 18.93 C ANISOU 866 CB ARG A 112 2636 3111 1446 -395 -42 -515 C ATOM 867 CG ARG A 112 2.292 35.216 21.524 1.00 22.18 C ANISOU 867 CG ARG A 112 2887 3831 1711 -619 -18 -1117 C ATOM 868 CD ARG A 112 2.781 35.305 22.960 1.00 25.74 C ANISOU 868 CD ARG A 112 3062 4576 2144 -667 227 -1041 C ATOM 869 NE ARG A 112 4.079 34.671 23.177 1.00 30.60 N ANISOU 869 NE ARG A 112 3299 5184 3143 -677 113 -1021 N ATOM 870 CZ ARG A 112 5.259 35.200 22.857 1.00 35.56 C ANISOU 870 CZ ARG A 112 3622 5545 4345 -558 357 -1131 C ATOM 871 NH1 ARG A 112 5.333 36.388 22.259 1.00 36.91 N ANISOU 871 NH1 ARG A 112 3770 5585 4671 -543 233 -1115 N ATOM 872 NH2 ARG A 112 6.374 34.523 23.123 1.00 36.31 N ANISOU 872 NH2 ARG A 112 3556 5718 4521 -484 295 -1175 N ATOM 0 H ARG A 112 2.129 31.758 19.687 1.00 14.51 H new ATOM 0 HA ARG A 112 0.725 33.941 19.718 1.00 15.96 H new ATOM 0 HB2 ARG A 112 1.838 33.223 21.642 1.00 18.93 H new ATOM 0 HB3 ARG A 112 3.219 33.479 20.965 1.00 18.93 H new ATOM 0 HG2 ARG A 112 2.853 35.768 20.957 1.00 22.18 H new ATOM 0 HG3 ARG A 112 1.392 35.573 21.466 1.00 22.18 H new ATOM 0 HD2 ARG A 112 2.839 36.239 23.217 1.00 25.74 H new ATOM 0 HD3 ARG A 112 2.126 34.891 23.543 1.00 25.74 H new ATOM 0 HE ARG A 112 4.082 33.892 23.541 1.00 30.60 H new ATOM 0 HH11 ARG A 112 4.614 36.822 22.075 1.00 36.91 H new ATOM 0 HH12 ARG A 112 6.100 36.721 22.057 1.00 36.91 H new ATOM 0 HH21 ARG A 112 6.329 33.751 23.498 1.00 36.31 H new ATOM 0 HH22 ARG A 112 7.139 34.858 22.919 1.00 36.31 H new ATOM 873 N ASN A 113 3.458 34.172 18.083 1.00 15.29 N ANISOU 873 N ASN A 113 1849 2411 1547 -472 -41 349 N ATOM 874 CA ASN A 113 4.251 35.036 17.214 1.00 14.77 C ANISOU 874 CA ASN A 113 1874 2401 1336 -492 -35 316 C ATOM 875 C ASN A 113 3.818 35.050 15.754 1.00 15.64 C ANISOU 875 C ASN A 113 1995 2318 1630 -573 -117 419 C ATOM 876 O ASN A 113 4.156 35.987 15.019 1.00 16.66 O ANISOU 876 O ASN A 113 2385 2371 1574 -620 -115 496 O ATOM 877 CB ASN A 113 5.719 34.637 17.305 1.00 15.84 C ANISOU 877 CB ASN A 113 1937 2532 1551 -415 -82 360 C ATOM 878 CG ASN A 113 6.346 35.054 18.614 1.00 17.20 C ANISOU 878 CG ASN A 113 2173 2782 1579 -467 171 449 C ATOM 879 OD1 ASN A 113 5.951 36.053 19.212 1.00 20.05 O ANISOU 879 OD1 ASN A 113 2301 3034 2284 -413 105 243 O ATOM 880 ND2 ASN A 113 7.337 34.298 19.061 1.00 18.02 N ANISOU 880 ND2 ASN A 113 2214 2858 1777 -632 -163 324 N ATOM 0 H ASN A 113 3.782 33.384 18.198 1.00 15.29 H new ATOM 0 HA ASN A 113 4.106 35.939 17.538 1.00 14.77 H new ATOM 0 HB2 ASN A 113 5.798 33.676 17.203 1.00 15.84 H new ATOM 0 HB3 ASN A 113 6.208 35.041 16.571 1.00 15.84 H new ATOM 0 HD21 ASN A 113 7.732 34.499 19.798 1.00 18.02 H new ATOM 0 HD22 ASN A 113 7.585 33.606 18.614 1.00 18.02 H new ATOM 881 N ARG A 114 3.068 34.033 15.322 1.00 15.26 N ANISOU 881 N ARG A 114 2010 2356 1431 -363 -331 375 N ATOM 882 CA ARG A 114 2.789 33.894 13.895 1.00 15.80 C ANISOU 882 CA ARG A 114 1878 2419 1707 -392 -62 353 C ATOM 883 C ARG A 114 1.329 33.668 13.533 1.00 15.10 C ANISOU 883 C ARG A 114 1953 2416 1370 -249 -130 447 C ATOM 884 O ARG A 114 0.964 33.851 12.367 1.00 17.52 O ANISOU 884 O ARG A 114 2070 2878 1707 -62 -152 491 O ATOM 885 CB ARG A 114 3.638 32.754 13.324 1.00 15.99 C ANISOU 885 CB ARG A 114 1663 2521 1891 -108 -2 451 C ATOM 886 CG ARG A 114 5.115 32.907 13.640 1.00 16.80 C ANISOU 886 CG ARG A 114 1632 2700 2049 20 230 390 C ATOM 887 CD ARG A 114 5.971 31.781 13.119 1.00 17.00 C ANISOU 887 CD ARG A 114 1834 2871 1753 -46 207 26 C ATOM 888 NE ARG A 114 6.107 31.849 11.674 1.00 17.38 N ANISOU 888 NE ARG A 114 2010 2876 1719 -546 274 164 N ATOM 889 CZ ARG A 114 6.855 31.015 10.971 1.00 18.28 C ANISOU 889 CZ ARG A 114 2371 2773 1800 -810 243 -17 C ATOM 890 NH1 ARG A 114 7.535 30.043 11.586 1.00 19.16 N ANISOU 890 NH1 ARG A 114 2381 2663 2235 -799 202 13 N ATOM 891 NH2 ARG A 114 6.932 31.149 9.651 1.00 18.99 N ANISOU 891 NH2 ARG A 114 2793 2772 1649 -1060 309 -79 N ATOM 0 H ARG A 114 2.720 33.429 15.825 1.00 15.26 H new ATOM 0 HA ARG A 114 3.019 34.750 13.502 1.00 15.80 H new ATOM 0 HB2 ARG A 114 3.321 31.910 13.681 1.00 15.99 H new ATOM 0 HB3 ARG A 114 3.519 32.718 12.362 1.00 15.99 H new ATOM 0 HG2 ARG A 114 5.432 33.743 13.264 1.00 16.80 H new ATOM 0 HG3 ARG A 114 5.226 32.968 14.602 1.00 16.80 H new ATOM 0 HD2 ARG A 114 6.848 31.821 13.531 1.00 17.00 H new ATOM 0 HD3 ARG A 114 5.578 30.930 13.370 1.00 17.00 H new ATOM 0 HE ARG A 114 5.678 32.464 11.253 1.00 17.38 H new ATOM 0 HH11 ARG A 114 7.487 29.959 12.441 1.00 19.16 H new ATOM 0 HH12 ARG A 114 8.021 29.502 11.127 1.00 19.16 H new ATOM 0 HH21 ARG A 114 6.496 31.777 9.256 1.00 18.99 H new ATOM 0 HH22 ARG A 114 7.418 30.608 9.191 1.00 18.99 H new ATOM 892 N CYS A 115 0.499 33.311 14.507 1.00 14.54 N ANISOU 892 N CYS A 115 1772 2098 1655 -84 95 328 N ATOM 893 CA CYS A 115 -0.897 33.020 14.215 1.00 14.45 C ANISOU 893 CA CYS A 115 1908 2051 1531 40 -77 221 C ATOM 894 C CYS A 115 -1.834 33.985 14.918 1.00 14.69 C ANISOU 894 C CYS A 115 2087 2144 1349 151 -30 253 C ATOM 895 O CYS A 115 -2.834 34.427 14.351 1.00 16.33 O ANISOU 895 O CYS A 115 2317 2223 1665 230 -113 416 O ATOM 896 CB CYS A 115 -1.252 31.597 14.631 1.00 15.22 C ANISOU 896 CB CYS A 115 1853 2000 1929 -44 -81 459 C ATOM 897 SG CYS A 115 -0.293 30.332 13.833 1.00 14.78 S ANISOU 897 SG CYS A 115 1797 2045 1773 113 -14 224 S ATOM 0 H CYS A 115 0.722 33.232 15.334 1.00 14.54 H new ATOM 0 HA CYS A 115 -1.008 33.120 13.257 1.00 14.45 H new ATOM 0 HB2 CYS A 115 -1.138 31.515 15.591 1.00 15.22 H new ATOM 0 HB3 CYS A 115 -2.191 31.442 14.442 1.00 15.22 H new ATOM 898 N LYS A 116 -1.512 34.292 16.172 1.00 14.79 N ANISOU 898 N LYS A 116 2234 2166 1219 103 -75 28 N ATOM 899 CA LYS A 116 -2.335 35.175 16.992 1.00 15.68 C ANISOU 899 CA LYS A 116 2332 2160 1465 183 -109 -308 C ATOM 900 C LYS A 116 -2.600 36.500 16.287 1.00 17.95 C ANISOU 900 C LYS A 116 2620 2425 1776 548 -144 -225 C ATOM 901 O LYS A 116 -1.673 37.185 15.861 1.00 18.62 O ANISOU 901 O LYS A 116 2814 2362 1898 430 -11 3 O ATOM 902 CB LYS A 116 -1.637 35.409 18.327 1.00 14.92 C ANISOU 902 CB LYS A 116 2223 2168 1279 61 301 -128 C ATOM 903 CG LYS A 116 -2.414 36.211 19.328 1.00 15.82 C ANISOU 903 CG LYS A 116 2211 2168 1632 -35 113 -37 C ATOM 904 CD LYS A 116 -1.604 36.391 20.609 1.00 15.67 C ANISOU 904 CD LYS A 116 2235 2187 1532 -13 165 -128 C ATOM 905 CE LYS A 116 -2.423 37.027 21.706 1.00 16.52 C ANISOU 905 CE LYS A 116 2325 2425 1528 -175 248 -255 C ATOM 906 NZ LYS A 116 -1.662 37.069 22.976 1.00 17.36 N ANISOU 906 NZ LYS A 116 2279 2440 1878 -320 273 -206 N ATOM 0 H LYS A 116 -0.811 33.994 16.571 1.00 14.79 H new ATOM 0 HA LYS A 116 -3.195 34.752 17.143 1.00 15.68 H new ATOM 0 HB2 LYS A 116 -1.426 34.547 18.720 1.00 14.92 H new ATOM 0 HB3 LYS A 116 -0.794 35.859 18.159 1.00 14.92 H new ATOM 0 HG2 LYS A 116 -2.636 37.078 18.954 1.00 15.82 H new ATOM 0 HG3 LYS A 116 -3.252 35.765 19.528 1.00 15.82 H new ATOM 0 HD2 LYS A 116 -1.277 35.528 20.909 1.00 15.67 H new ATOM 0 HD3 LYS A 116 -0.827 36.941 20.425 1.00 15.67 H new ATOM 0 HE2 LYS A 116 -2.676 37.927 21.446 1.00 16.52 H new ATOM 0 HE3 LYS A 116 -3.244 36.527 21.833 1.00 16.52 H new ATOM 0 HZ1 LYS A 116 -2.166 37.433 23.613 1.00 17.36 H new ATOM 0 HZ2 LYS A 116 -1.436 36.242 23.214 1.00 17.36 H new ATOM 0 HZ3 LYS A 116 -0.926 37.557 22.865 1.00 17.36 H new ATOM 907 N GLY A 117 -3.870 36.864 16.162 1.00 20.16 N ANISOU 907 N GLY A 117 3010 2826 1823 901 -99 -74 N ATOM 908 CA GLY A 117 -4.215 38.147 15.595 1.00 23.35 C ANISOU 908 CA GLY A 117 3262 2977 2634 1235 -474 102 C ATOM 909 C GLY A 117 -4.275 38.173 14.080 1.00 23.78 C ANISOU 909 C GLY A 117 3595 2997 2445 1363 -376 273 C ATOM 910 O GLY A 117 -4.659 39.191 13.503 1.00 26.65 O ANISOU 910 O GLY A 117 4086 3145 2897 1423 -370 487 O ATOM 0 H GLY A 117 -4.541 36.381 16.400 1.00 20.16 H new ATOM 0 HA2 GLY A 117 -5.077 38.421 15.946 1.00 23.35 H new ATOM 0 HA3 GLY A 117 -3.566 38.804 15.892 1.00 23.35 H new ATOM 911 N THR A 118 -3.929 37.070 13.427 1.00 21.78 N ANISOU 911 N THR A 118 3504 2925 1847 1163 -391 371 N ATOM 912 CA THR A 118 -3.939 37.014 11.962 1.00 20.97 C ANISOU 912 CA THR A 118 3477 2711 1781 1038 -417 445 C ATOM 913 C THR A 118 -5.236 36.392 11.456 1.00 22.02 C ANISOU 913 C THR A 118 3558 2662 2147 1026 -606 230 C ATOM 914 O THR A 118 -6.025 35.883 12.240 1.00 22.41 O ANISOU 914 O THR A 118 3513 2718 2285 934 -584 81 O ATOM 915 CB THR A 118 -2.749 36.203 11.418 1.00 20.84 C ANISOU 915 CB THR A 118 3429 2652 1836 876 -322 588 C ATOM 916 OG1 THR A 118 -2.975 34.806 11.660 1.00 19.93 O ANISOU 916 OG1 THR A 118 3262 2617 1694 865 -51 527 O ATOM 917 CG2 THR A 118 -1.451 36.636 12.083 1.00 23.92 C ANISOU 917 CG2 THR A 118 3608 2699 2780 628 -192 303 C ATOM 0 H THR A 118 -3.684 36.340 13.810 1.00 21.78 H new ATOM 0 HA THR A 118 -3.867 37.927 11.642 1.00 20.97 H new ATOM 0 HB THR A 118 -2.672 36.364 10.464 1.00 20.84 H new ATOM 0 HG1 THR A 118 -2.910 34.650 12.483 1.00 19.93 H new ATOM 0 HG21 THR A 118 -0.715 36.114 11.727 1.00 23.92 H new ATOM 0 HG22 THR A 118 -1.295 37.577 11.906 1.00 23.92 H new ATOM 0 HG23 THR A 118 -1.514 36.494 13.040 1.00 23.92 H new ATOM 918 N ASP A 119 -5.452 36.419 10.144 1.00 24.15 N ANISOU 918 N ASP A 119 3820 2820 2534 1049 -826 307 N ATOM 919 CA ASP A 119 -6.629 35.786 9.565 1.00 25.50 C ANISOU 919 CA ASP A 119 3995 3251 2443 980 -728 597 C ATOM 920 C ASP A 119 -6.452 34.270 9.528 1.00 25.05 C ANISOU 920 C ASP A 119 3825 3452 2240 930 -329 412 C ATOM 921 O ASP A 119 -6.146 33.687 8.502 1.00 26.35 O ANISOU 921 O ASP A 119 4066 3590 2354 678 -361 322 O ATOM 922 CB ASP A 119 -6.894 36.347 8.167 1.00 28.15 C ANISOU 922 CB ASP A 119 4360 3631 2704 815 -917 980 C ATOM 923 CG ASP A 119 -8.129 35.744 7.506 1.00 30.89 C ANISOU 923 CG ASP A 119 4664 4159 2913 655 -1324 895 C ATOM 924 OD1 ASP A 119 -8.924 35.048 8.178 1.00 32.67 O ANISOU 924 OD1 ASP A 119 4742 4334 3337 729 -1633 458 O ATOM 925 OD2 ASP A 119 -8.323 35.997 6.295 1.00 33.48 O ANISOU 925 OD2 ASP A 119 4924 4545 3253 496 -1551 978 O ATOM 0 H ASP A 119 -4.930 36.798 9.575 1.00 24.15 H new ATOM 0 HA ASP A 119 -7.400 35.983 10.120 1.00 25.50 H new ATOM 0 HB2 ASP A 119 -7.002 37.309 8.225 1.00 28.15 H new ATOM 0 HB3 ASP A 119 -6.120 36.182 7.606 1.00 28.15 H new ATOM 926 N VAL A 120 -6.665 33.625 10.663 1.00 22.69 N ANISOU 926 N VAL A 120 3465 3470 1686 1189 -46 313 N ATOM 927 CA VAL A 120 -6.401 32.194 10.738 1.00 22.67 C ANISOU 927 CA VAL A 120 3223 3522 1869 1297 -268 31 C ATOM 928 C VAL A 120 -7.425 31.358 9.957 1.00 23.03 C ANISOU 928 C VAL A 120 3224 3725 1801 1331 -344 -33 C ATOM 929 O VAL A 120 -7.169 30.179 9.672 1.00 23.02 O ANISOU 929 O VAL A 120 3328 3904 1513 976 -275 -54 O ATOM 930 CB VAL A 120 -6.334 31.710 12.212 1.00 22.05 C ANISOU 930 CB VAL A 120 3168 3592 1617 1036 -293 189 C ATOM 931 CG1 VAL A 120 -5.121 32.305 12.904 1.00 22.38 C ANISOU 931 CG1 VAL A 120 3222 3544 1739 776 -176 462 C ATOM 932 CG2 VAL A 120 -7.612 32.059 12.974 1.00 22.30 C ANISOU 932 CG2 VAL A 120 3112 3628 1732 1082 -76 75 C ATOM 0 H VAL A 120 -6.956 33.985 11.388 1.00 22.69 H new ATOM 0 HA VAL A 120 -5.536 32.059 10.320 1.00 22.67 H new ATOM 0 HB VAL A 120 -6.251 30.744 12.207 1.00 22.05 H new ATOM 0 HG11 VAL A 120 -5.089 31.997 13.823 1.00 22.38 H new ATOM 0 HG12 VAL A 120 -4.315 32.026 12.441 1.00 22.38 H new ATOM 0 HG13 VAL A 120 -5.183 33.273 12.890 1.00 22.38 H new ATOM 0 HG21 VAL A 120 -7.540 31.745 13.889 1.00 22.30 H new ATOM 0 HG22 VAL A 120 -7.738 33.021 12.972 1.00 22.30 H new ATOM 0 HG23 VAL A 120 -8.371 31.633 12.545 1.00 22.30 H new ATOM 933 N GLN A 121 -8.558 31.961 9.580 1.00 25.91 N ANISOU 933 N GLN A 121 3291 3937 2618 1442 -261 95 N ATOM 934 CA GLN A 121 -9.577 31.232 8.825 1.00 29.08 C ANISOU 934 CA GLN A 121 3392 4238 3419 1539 -640 259 C ATOM 935 C GLN A 121 -9.013 30.813 7.467 1.00 26.55 C ANISOU 935 C GLN A 121 3166 4168 2756 1348 -649 282 C ATOM 936 O GLN A 121 -9.443 29.824 6.876 1.00 26.92 O ANISOU 936 O GLN A 121 2965 4480 2782 1337 -704 237 O ATOM 937 CB GLN A 121 -10.853 32.084 8.669 1.00 36.68 C ANISOU 937 CB GLN A 121 3943 4760 5233 1574 -1209 363 C ATOM 938 CG GLN A 121 -11.969 31.501 7.772 1.00 45.00 C ANISOU 938 CG GLN A 121 4567 5278 7253 1474 -1387 356 C ATOM 939 CD GLN A 121 -11.627 31.468 6.288 1.00 52.09 C ANISOU 939 CD GLN A 121 5044 5618 9128 1398 -1460 236 C ATOM 940 OE1 GLN A 121 -11.114 32.445 5.736 1.00 54.72 O ANISOU 940 OE1 GLN A 121 5346 5764 9683 1375 -1568 304 O ATOM 941 NE2 GLN A 121 -11.873 30.327 5.648 1.00 54.27 N ANISOU 941 NE2 GLN A 121 5278 5640 9702 1415 -1575 311 N ATOM 0 H GLN A 121 -8.752 32.781 9.750 1.00 25.91 H new ATOM 0 HA GLN A 121 -9.823 30.431 9.313 1.00 29.08 H new ATOM 0 HB2 GLN A 121 -11.224 32.239 9.552 1.00 36.68 H new ATOM 0 HB3 GLN A 121 -10.598 32.949 8.312 1.00 36.68 H new ATOM 0 HG2 GLN A 121 -12.169 30.599 8.067 1.00 45.00 H new ATOM 0 HG3 GLN A 121 -12.776 32.025 7.896 1.00 45.00 H new ATOM 0 HE21 GLN A 121 -12.232 29.668 6.067 1.00 54.27 H new ATOM 0 HE22 GLN A 121 -11.673 30.249 4.815 1.00 54.27 H new ATOM 942 N ALA A 122 -8.035 31.566 6.988 1.00 24.48 N ANISOU 942 N ALA A 122 3210 3845 2246 1178 -619 332 N ATOM 943 CA ALA A 122 -7.371 31.238 5.740 1.00 23.24 C ANISOU 943 CA ALA A 122 3146 3792 1892 920 -674 397 C ATOM 944 C ALA A 122 -6.811 29.804 5.748 1.00 21.81 C ANISOU 944 C ALA A 122 2907 3698 1681 800 -705 181 C ATOM 945 O ALA A 122 -6.760 29.146 4.706 1.00 23.53 O ANISOU 945 O ALA A 122 3268 3972 1699 704 -764 -289 O ATOM 946 CB ALA A 122 -6.272 32.234 5.473 1.00 25.65 C ANISOU 946 CB ALA A 122 3453 3974 2317 715 -334 559 C ATOM 0 H ALA A 122 -7.740 32.276 7.374 1.00 24.48 H new ATOM 0 HA ALA A 122 -8.028 31.284 5.028 1.00 23.24 H new ATOM 0 HB1 ALA A 122 -5.830 32.012 4.638 1.00 25.65 H new ATOM 0 HB2 ALA A 122 -6.650 33.125 5.411 1.00 25.65 H new ATOM 0 HB3 ALA A 122 -5.627 32.207 6.197 1.00 25.65 H new ATOM 947 N TRP A 123 -6.386 29.321 6.915 1.00 20.11 N ANISOU 947 N TRP A 123 2447 3443 1750 600 -853 300 N ATOM 948 CA TRP A 123 -5.820 27.980 7.018 1.00 20.04 C ANISOU 948 CA TRP A 123 2454 3438 1723 533 -878 -73 C ATOM 949 C TRP A 123 -6.841 26.881 6.763 1.00 21.22 C ANISOU 949 C TRP A 123 2374 3583 2107 625 -937 -332 C ATOM 950 O TRP A 123 -6.463 25.757 6.449 1.00 21.61 O ANISOU 950 O TRP A 123 2330 3637 2245 691 -688 -535 O ATOM 951 CB TRP A 123 -5.169 27.783 8.388 1.00 19.99 C ANISOU 951 CB TRP A 123 2739 3331 1525 501 -847 -19 C ATOM 952 CG TRP A 123 -3.956 28.594 8.469 1.00 19.93 C ANISOU 952 CG TRP A 123 2804 3237 1532 524 -904 31 C ATOM 953 CD1 TRP A 123 -3.825 29.811 9.079 1.00 22.36 C ANISOU 953 CD1 TRP A 123 3057 3330 2108 470 -800 123 C ATOM 954 CD2 TRP A 123 -2.686 28.294 7.882 1.00 20.46 C ANISOU 954 CD2 TRP A 123 2752 3180 1843 565 -811 275 C ATOM 955 NE1 TRP A 123 -2.558 30.283 8.905 1.00 22.80 N ANISOU 955 NE1 TRP A 123 3007 3172 2485 352 -880 308 N ATOM 956 CE2 TRP A 123 -1.836 29.378 8.170 1.00 22.22 C ANISOU 956 CE2 TRP A 123 2821 3250 2373 487 -889 435 C ATOM 957 CE3 TRP A 123 -2.191 27.223 7.122 1.00 21.88 C ANISOU 957 CE3 TRP A 123 2565 3088 2663 624 -896 642 C ATOM 958 CZ2 TRP A 123 -0.518 29.420 7.746 1.00 24.58 C ANISOU 958 CZ2 TRP A 123 2799 3309 3233 506 -679 615 C ATOM 959 CZ3 TRP A 123 -0.881 27.274 6.687 1.00 24.27 C ANISOU 959 CZ3 TRP A 123 2674 3163 3386 607 -854 399 C ATOM 960 CH2 TRP A 123 -0.061 28.370 7.002 1.00 25.81 C ANISOU 960 CH2 TRP A 123 2824 3307 3676 432 -491 360 C ATOM 0 H TRP A 123 -6.417 29.754 7.657 1.00 20.11 H new ATOM 0 HA TRP A 123 -5.149 27.908 6.321 1.00 20.04 H new ATOM 0 HB2 TRP A 123 -5.787 28.037 9.091 1.00 19.99 H new ATOM 0 HB3 TRP A 123 -4.954 26.847 8.524 1.00 19.99 H new ATOM 0 HD1 TRP A 123 -4.500 30.251 9.543 1.00 22.36 H new ATOM 0 HE1 TRP A 123 -2.259 31.030 9.208 1.00 22.80 H new ATOM 0 HE3 TRP A 123 -2.733 26.496 6.916 1.00 21.88 H new ATOM 0 HZ2 TRP A 123 0.035 30.136 7.960 1.00 24.58 H new ATOM 0 HZ3 TRP A 123 -0.538 26.574 6.179 1.00 24.27 H new ATOM 0 HH2 TRP A 123 0.817 28.381 6.696 1.00 25.81 H new ATOM 961 N ILE A 124 -8.129 27.189 6.880 1.00 22.47 N ANISOU 961 N ILE A 124 2610 3799 2129 675 -938 -163 N ATOM 962 CA ILE A 124 -9.132 26.157 6.637 1.00 23.92 C ANISOU 962 CA ILE A 124 2892 4066 2130 697 -1024 -96 C ATOM 963 C ILE A 124 -10.016 26.477 5.427 1.00 26.81 C ANISOU 963 C ILE A 124 3073 4553 2559 685 -1370 -207 C ATOM 964 O ILE A 124 -10.918 25.711 5.095 1.00 25.70 O ANISOU 964 O ILE A 124 3062 4491 2213 489 -1350 -306 O ATOM 965 CB ILE A 124 -10.015 25.918 7.885 1.00 24.86 C ANISOU 965 CB ILE A 124 3059 4058 2331 549 -850 215 C ATOM 966 CG1 ILE A 124 -10.817 27.169 8.242 1.00 25.82 C ANISOU 966 CG1 ILE A 124 3388 4137 2285 519 -311 73 C ATOM 967 CG2 ILE A 124 -9.153 25.417 9.062 1.00 24.47 C ANISOU 967 CG2 ILE A 124 3048 4090 2158 353 -950 213 C ATOM 968 CD1 ILE A 124 -11.807 26.959 9.373 1.00 26.13 C ANISOU 968 CD1 ILE A 124 3580 4209 2139 556 -104 -66 C ATOM 0 H ILE A 124 -8.437 27.964 7.092 1.00 22.47 H new ATOM 0 HA ILE A 124 -8.641 25.344 6.441 1.00 23.92 H new ATOM 0 HB ILE A 124 -10.662 25.224 7.682 1.00 24.86 H new ATOM 0 HG12 ILE A 124 -10.202 27.878 8.489 1.00 25.82 H new ATOM 0 HG13 ILE A 124 -11.297 27.471 7.455 1.00 25.82 H new ATOM 0 HG21 ILE A 124 -9.717 25.271 9.837 1.00 24.47 H new ATOM 0 HG22 ILE A 124 -8.721 24.584 8.816 1.00 24.47 H new ATOM 0 HG23 ILE A 124 -8.478 26.080 9.274 1.00 24.47 H new ATOM 0 HD11 ILE A 124 -12.280 27.788 9.548 1.00 26.13 H new ATOM 0 HD12 ILE A 124 -12.443 26.271 9.123 1.00 26.13 H new ATOM 0 HD13 ILE A 124 -11.332 26.684 10.173 1.00 26.13 H new ATOM 969 N ARG A 125 -9.726 27.591 4.762 1.00 29.16 N ANISOU 969 N ARG A 125 3363 4987 2728 519 -1645 240 N ATOM 970 CA ARG A 125 -10.497 28.038 3.606 1.00 33.37 C ANISOU 970 CA ARG A 125 3714 5706 3260 265 -1872 333 C ATOM 971 C ARG A 125 -10.453 26.971 2.528 1.00 32.55 C ANISOU 971 C ARG A 125 3872 5574 2923 69 -1917 261 C ATOM 972 O ARG A 125 -9.396 26.434 2.226 1.00 32.56 O ANISOU 972 O ARG A 125 4008 5687 2678 -166 -1764 249 O ATOM 973 CB ARG A 125 -9.943 29.369 3.094 1.00 38.09 C ANISOU 973 CB ARG A 125 4105 6265 4102 111 -2150 442 C ATOM 974 CG ARG A 125 -10.831 30.132 2.119 1.00 43.45 C ANISOU 974 CG ARG A 125 4432 6827 5248 -9 -2330 417 C ATOM 975 CD ARG A 125 -10.323 31.568 1.948 1.00 49.24 C ANISOU 975 CD ARG A 125 4748 7341 6619 -55 -2466 489 C ATOM 976 NE ARG A 125 -10.363 32.329 3.201 1.00 54.05 N ANISOU 976 NE ARG A 125 4978 7777 7780 -88 -2489 569 N ATOM 977 CZ ARG A 125 -9.557 33.349 3.497 1.00 57.34 C ANISOU 977 CZ ARG A 125 5111 8089 8585 -119 -2705 657 C ATOM 978 NH1 ARG A 125 -8.625 33.742 2.639 1.00 58.68 N ANISOU 978 NH1 ARG A 125 5100 8210 8985 -207 -2694 727 N ATOM 979 NH2 ARG A 125 -9.680 33.974 4.664 1.00 56.67 N ANISOU 979 NH2 ARG A 125 5146 8154 8232 -63 -3034 619 N ATOM 0 H ARG A 125 -9.073 28.111 4.969 1.00 29.16 H new ATOM 0 HA ARG A 125 -11.422 28.178 3.861 1.00 33.37 H new ATOM 0 HB2 ARG A 125 -9.766 29.940 3.858 1.00 38.09 H new ATOM 0 HB3 ARG A 125 -9.091 29.200 2.663 1.00 38.09 H new ATOM 0 HG2 ARG A 125 -10.841 29.681 1.260 1.00 43.45 H new ATOM 0 HG3 ARG A 125 -11.745 30.142 2.444 1.00 43.45 H new ATOM 0 HD2 ARG A 125 -9.413 31.549 1.613 1.00 49.24 H new ATOM 0 HD3 ARG A 125 -10.861 32.021 1.280 1.00 49.24 H new ATOM 0 HE ARG A 125 -10.949 32.101 3.788 1.00 54.05 H new ATOM 0 HH11 ARG A 125 -8.537 33.338 1.885 1.00 58.68 H new ATOM 0 HH12 ARG A 125 -8.109 34.401 2.837 1.00 58.68 H new ATOM 0 HH21 ARG A 125 -10.279 33.720 5.227 1.00 56.67 H new ATOM 0 HH22 ARG A 125 -9.161 34.632 4.856 1.00 56.67 H new ATOM 980 N GLY A 126 -11.616 26.642 1.976 1.00 33.24 N ANISOU 980 N GLY A 126 3895 5713 3022 -4 -1859 302 N ATOM 981 CA GLY A 126 -11.704 25.712 0.865 1.00 33.79 C ANISOU 981 CA GLY A 126 3917 5761 3160 -120 -1778 253 C ATOM 982 C GLY A 126 -11.769 24.246 1.250 1.00 33.17 C ANISOU 982 C GLY A 126 3816 5806 2982 -84 -1790 454 C ATOM 983 O GLY A 126 -12.049 23.392 0.414 1.00 33.65 O ANISOU 983 O GLY A 126 4111 5763 2911 -257 -1535 136 O ATOM 0 H GLY A 126 -12.374 26.953 2.237 1.00 33.24 H new ATOM 0 HA2 GLY A 126 -12.492 25.929 0.342 1.00 33.79 H new ATOM 0 HA3 GLY A 126 -10.935 25.846 0.289 1.00 33.79 H new ATOM 984 N CYS A 127 -11.523 23.943 2.517 1.00 31.03 N ANISOU 984 N CYS A 127 3424 5763 2602 104 -1377 708 N ATOM 985 CA CYS A 127 -11.516 22.560 2.969 1.00 31.36 C ANISOU 985 CA CYS A 127 3202 5707 3007 466 -1229 422 C ATOM 986 C CYS A 127 -12.918 21.999 3.175 1.00 32.85 C ANISOU 986 C CYS A 127 3265 5677 3541 625 -1475 640 C ATOM 987 O CYS A 127 -13.795 22.692 3.693 1.00 33.23 O ANISOU 987 O CYS A 127 3152 5580 3893 986 -1290 846 O ATOM 988 CB CYS A 127 -10.749 22.445 4.281 1.00 28.76 C ANISOU 988 CB CYS A 127 3099 5446 2381 727 -1223 -69 C ATOM 989 SG CYS A 127 -9.051 23.069 4.244 1.00 29.56 S ANISOU 989 SG CYS A 127 3028 5515 2687 992 -1280 -191 S ATOM 0 H CYS A 127 -11.358 24.523 3.130 1.00 31.03 H new ATOM 0 HA CYS A 127 -11.086 22.043 2.270 1.00 31.36 H new ATOM 0 HB2 CYS A 127 -11.239 22.924 4.968 1.00 28.76 H new ATOM 0 HB3 CYS A 127 -10.729 21.512 4.546 1.00 28.76 H new ATOM 990 N ARG A 128 -13.119 20.735 2.812 1.00 32.55 N ANISOU 990 N ARG A 128 3540 5730 3099 491 -1785 234 N ATOM 991 CA ARG A 128 -14.368 20.048 3.152 1.00 34.81 C ANISOU 991 CA ARG A 128 3892 5911 3425 550 -1396 574 C ATOM 992 C ARG A 128 -14.332 19.599 4.611 1.00 36.53 C ANISOU 992 C ARG A 128 4062 5912 3907 1057 -1530 820 C ATOM 993 O ARG A 128 -13.570 18.699 4.976 1.00 39.36 O ANISOU 993 O ARG A 128 4272 6038 4646 1380 -1750 938 O ATOM 994 CB ARG A 128 -14.606 18.846 2.240 1.00 36.63 C ANISOU 994 CB ARG A 128 4225 6027 3667 202 -1232 713 C ATOM 995 CG ARG A 128 -15.871 18.063 2.578 1.00 39.50 C ANISOU 995 CG ARG A 128 4618 6230 4159 -67 -1090 559 C ATOM 996 CD ARG A 128 -15.911 16.725 1.848 1.00 41.64 C ANISOU 996 CD ARG A 128 4928 6453 4442 -337 -1039 454 C ATOM 997 NE ARG A 128 -16.190 16.883 0.425 1.00 44.11 N ANISOU 997 NE ARG A 128 5138 6575 5046 -574 -1208 420 N ATOM 998 CZ ARG A 128 -15.836 16.006 -0.510 1.00 45.60 C ANISOU 998 CZ ARG A 128 5286 6572 5468 -843 -1149 299 C ATOM 999 NH1 ARG A 128 -15.164 14.910 -0.177 1.00 46.28 N ANISOU 999 NH1 ARG A 128 5240 6509 5835 -955 -1130 246 N ATOM 1000 NH2 ARG A 128 -16.139 16.234 -1.780 1.00 45.45 N ANISOU 1000 NH2 ARG A 128 5408 6614 5245 -897 -1096 267 N ATOM 0 H ARG A 128 -12.553 20.259 2.373 1.00 32.55 H new ATOM 0 HA ARG A 128 -15.100 20.671 3.023 1.00 34.81 H new ATOM 0 HB2 ARG A 128 -14.660 19.153 1.321 1.00 36.63 H new ATOM 0 HB3 ARG A 128 -13.842 18.251 2.296 1.00 36.63 H new ATOM 0 HG2 ARG A 128 -15.914 17.912 3.535 1.00 39.50 H new ATOM 0 HG3 ARG A 128 -16.651 18.587 2.338 1.00 39.50 H new ATOM 0 HD2 ARG A 128 -15.061 16.271 1.961 1.00 41.64 H new ATOM 0 HD3 ARG A 128 -16.590 16.160 2.248 1.00 41.64 H new ATOM 0 HE ARG A 128 -16.611 17.590 0.174 1.00 44.11 H new ATOM 0 HH11 ARG A 128 -14.957 14.766 0.645 1.00 46.28 H new ATOM 0 HH12 ARG A 128 -14.936 14.344 -0.783 1.00 46.28 H new ATOM 0 HH21 ARG A 128 -16.564 16.949 -1.999 1.00 45.45 H new ATOM 0 HH22 ARG A 128 -15.910 15.667 -2.385 1.00 45.45 H new ATOM 1001 N LEU A 129 -15.140 20.237 5.448 1.00 35.77 N ANISOU 1001 N LEU A 129 4103 5841 3648 1032 -1366 587 N ATOM 1002 CA LEU A 129 -15.155 19.958 6.880 1.00 35.89 C ANISOU 1002 CA LEU A 129 4216 5859 3560 930 -1122 317 C ATOM 1003 C LEU A 129 -16.576 19.676 7.372 1.00 37.07 C ANISOU 1003 C LEU A 129 4392 5785 3909 770 -1473 48 C ATOM 1004 O LEU A 129 -17.541 19.741 6.610 1.00 39.29 O ANISOU 1004 O LEU A 129 4627 5839 4462 451 -1217 -315 O ATOM 1005 CB LEU A 129 -14.549 21.131 7.651 1.00 35.59 C ANISOU 1005 CB LEU A 129 4278 6020 3224 857 -689 556 C ATOM 1006 CG LEU A 129 -13.159 21.572 7.186 1.00 37.30 C ANISOU 1006 CG LEU A 129 4556 6201 3417 680 -433 736 C ATOM 1007 CD1 LEU A 129 -12.695 22.803 7.938 1.00 37.57 C ANISOU 1007 CD1 LEU A 129 4760 6188 3326 489 -148 780 C ATOM 1008 CD2 LEU A 129 -12.152 20.433 7.353 1.00 38.60 C ANISOU 1008 CD2 LEU A 129 4584 6371 3712 702 -349 732 C ATOM 1009 OXT LEU A 129 -16.797 19.383 8.550 1.00 37.91 O ANISOU 1009 OXT LEU A 129 4327 5701 4378 880 -1573 -222 O ATOM 0 H LEU A 129 -15.696 20.845 5.203 1.00 35.77 H new ATOM 0 HA LEU A 129 -14.620 19.165 7.039 1.00 35.89 H new ATOM 0 HB2 LEU A 129 -15.151 21.888 7.584 1.00 35.59 H new ATOM 0 HB3 LEU A 129 -14.499 20.890 8.589 1.00 35.59 H new ATOM 0 HG LEU A 129 -13.217 21.800 6.245 1.00 37.30 H new ATOM 0 HD11 LEU A 129 -11.814 23.061 7.625 1.00 37.57 H new ATOM 0 HD12 LEU A 129 -13.318 23.530 7.784 1.00 37.57 H new ATOM 0 HD13 LEU A 129 -12.656 22.607 8.887 1.00 37.57 H new ATOM 0 HD21 LEU A 129 -11.277 20.728 7.054 1.00 38.60 H new ATOM 0 HD22 LEU A 129 -12.105 20.177 8.287 1.00 38.60 H new ATOM 0 HD23 LEU A 129 -12.434 19.671 6.823 1.00 38.60 H new TER 1010 LEU A 129 HETATM 1011 RE RE A 201 -8.579 10.262 14.036 1.00 33.64 RE ANISOU 1011 RE RE A 201 3958 4030 4794 -1397 143 -1430 RE HETATM 1012 RE RE A 202 -16.383 15.914 10.074 0.50 26.55 RE ANISOU 1012 RE RE A 202 2565 4510 3012 -1291 -87 -396 RE HETATM 1013 RE RE A 203 -15.150 17.051 8.550 0.12 63.56 RE ANISOU 1013 RE RE A 203 6755 8951 8445 2683 2988 -2027 RE HETATM 1014 RE RE A 204 -10.769 35.694 5.533 0.36 29.96 RE ANISOU 1014 RE RE A 204 4082 4420 2882 1033 -661 1125 RE HETATM 1015 CL CL A 205 -0.512 21.106 2.561 0.76 48.14 CL ANISOU 1015 CL CL A 205 5758 7100 5433 2214 1943 1673 CL HETATM 1016 CL CL A 206 12.541 12.589 32.471 1.00 17.13 CL HETATM 1017 RE RE A 207 -15.709 25.537 12.389 0.33 26.61 RE ANISOU 1017 RE RE A 207 2647 4280 3183 -295 -691 703 RE HETATM 1018 CL CL A 208 -7.994 31.825 26.121 1.00 19.76 CL ANISOU 1018 CL CL A 208 2781 2545 2181 192 486 -634 CL HETATM 1019 RE RE A 209 -19.862 19.842 7.448 0.32 39.10 RE ANISOU 1019 RE RE A 209 3016 3456 8384 -163 -1485 1408 RE HETATM 1020 RE RE A 210 8.832 25.438 17.757 0.20 19.16 RE ANISOU 1020 RE RE A 210 2227 3008 2045 -371 -34 307 RE HETATM 1021 NA NA A 211 8.717 15.009 31.238 1.00 15.44 NA ANISOU 1021 NA NA A 211 2365 2350 1150 389 301 81 NA HETATM 1022 RE RE A 212 8.710 24.711 21.586 0.23 26.02 RE ANISOU 1022 RE RE A 212 5655 1998 2233 505 -1296 -190 RE HETATM 1023 RE RE A 213 14.929 21.430 33.447 0.47 73.85 RE ANISOU 1023 RE RE A 213 14433 7591 6037 2947 -3649 189 RE HETATM 1024 RE RE A 214 -11.609 7.184 11.081 0.22 28.22 RE ANISOU 1024 RE RE A 214 3300 3526 3898 -74 -759 -817 RE HETATM 1025 CL CL A 215 -10.740 29.558 11.784 1.00 26.87 CL ANISOU 1025 CL CL A 215 2776 5084 2349 1541 -101 71 CL HETATM 1026 CL CL A 216 6.453 6.788 29.676 1.00 33.30 CL ANISOU 1026 CL CL A 216 5702 2926 4026 -749 -1605 679 CL HETATM 1027 CL CL A 217 19.362 11.076 24.310 1.00 49.40 CL ANISOU 1027 CL CL A 217 8723 5583 4463 -3492 2516 -1875 CL HETATM 1028 CL CL A 218 3.765 14.468 36.451 1.00 46.72 CL ANISOU 1028 CL CL A 218 8021 7107 2623 110 1684 256 CL HETATM 1029 CL CL A 219 0.228 24.515 3.647 1.00 43.04 CL ANISOU 1029 CL CL A 219 7801 6258 2296 -1147 164 821 CL HETATM 1030 CL CL A 220 1.877 34.301 9.779 1.00 45.06 CL ANISOU 1030 CL CL A 220 5292 5931 5895 -839 1688 -68 CL HETATM 1031 O HOH A 301 11.648 23.990 28.129 1.00 41.86 O ANISOU 1031 O HOH A 301 7118 4479 4309 1509 -903 -1936 O HETATM 1032 O HOH A 302 -1.824 27.225 28.227 1.00 33.65 O ANISOU 1032 O HOH A 302 5481 3556 3747 -1174 -2077 1306 O HETATM 1033 O HOH A 303 0.697 26.376 29.448 1.00 30.17 O ANISOU 1033 O HOH A 303 4922 4818 1721 -207 -35 1 O HETATM 1034 O HOH A 304 6.355 27.388 19.931 1.00 44.81 O ANISOU 1034 O HOH A 304 4603 3812 8611 1287 822 -1725 O HETATM 1035 O HOH A 305 1.956 14.520 16.394 1.00 29.55 O ANISOU 1035 O HOH A 305 3637 4790 2801 -2068 -1300 1631 O HETATM 1036 O HOH A 306 -3.830 33.886 7.377 1.00 34.86 O ANISOU 1036 O HOH A 306 4284 5595 3365 100 -214 651 O HETATM 1037 O HOH A 307 1.540 19.317 3.990 1.00 24.14 O ANISOU 1037 O HOH A 307 3761 4059 1354 807 -171 -233 O HETATM 1038 O HOH A 308 14.520 15.695 26.166 1.00 13.25 O ANISOU 1038 O HOH A 308 2075 1971 989 279 -57 6 O HETATM 1039 O HOH A 309 0.100 12.699 16.073 1.00 21.53 O ANISOU 1039 O HOH A 309 2296 2765 3119 -791 556 -1097 O HETATM 1040 O HOH A 310 -6.251 28.525 29.317 1.00 30.98 O ANISOU 1040 O HOH A 310 5152 3937 2681 -1026 1864 -676 O HETATM 1041 O HOH A 311 12.192 14.070 14.422 1.00 14.91 O ANISOU 1041 O HOH A 311 2402 2266 999 491 -262 -334 O HETATM 1042 O HOH A 312 -7.506 15.849 27.331 1.00 30.03 O ANISOU 1042 O HOH A 312 2708 4175 4526 -87 1134 917 O HETATM 1043 O HOH A 313 -1.059 39.716 15.033 1.00 39.20 O ANISOU 1043 O HOH A 313 4374 2389 8131 777 -384 -118 O HETATM 1044 O HOH A 314 -14.138 19.951 16.514 1.00 24.64 O ANISOU 1044 O HOH A 314 2311 4232 2818 -713 -144 -624 O HETATM 1045 O HOH A 315 4.692 5.324 21.630 1.00 41.17 O ANISOU 1045 O HOH A 315 8308 3584 3751 -2484 -1482 324 O HETATM 1046 O HOH A 316 15.628 8.335 33.145 1.00 29.90 O ANISOU 1046 O HOH A 316 4820 2873 3668 265 -1295 733 O HETATM 1047 O HOH A 317 -3.652 9.833 10.342 1.00 33.69 O ANISOU 1047 O HOH A 317 4048 5010 3743 -861 -1003 -636 O HETATM 1048 O HOH A 318 -6.824 35.761 14.873 1.00 27.41 O ANISOU 1048 O HOH A 318 4048 3271 3096 1288 -170 729 O HETATM 1049 O HOH A 319 -14.284 31.903 20.380 1.00 26.67 O ANISOU 1049 O HOH A 319 3319 3301 3512 355 -112 -1089 O HETATM 1050 O HOH A 320 6.543 11.871 8.958 1.00 16.31 O ANISOU 1050 O HOH A 320 1949 2503 1746 234 -285 -546 O HETATM 1051 O HOH A 321 4.898 8.053 13.222 1.00 24.97 O ANISOU 1051 O HOH A 321 2764 3679 3044 672 -661 -1294 O HETATM 1052 O HOH A 322 1.716 38.425 18.799 1.00 43.76 O ANISOU 1052 O HOH A 322 3788 3224 9615 79 2514 -510 O HETATM 1053 O HOH A 323 -2.494 33.057 9.541 1.00 23.78 O ANISOU 1053 O HOH A 323 3274 2740 3020 -341 126 191 O HETATM 1054 O HOH A 324 -3.211 13.130 27.859 1.00 24.80 O ANISOU 1054 O HOH A 324 2621 3987 2815 -157 312 -559 O HETATM 1055 O HOH A 325 5.039 6.895 17.902 1.00 28.25 O ANISOU 1055 O HOH A 325 5165 2759 2809 -270 337 -637 O HETATM 1056 O HOH A 326 -8.372 13.066 20.351 1.00 31.92 O ANISOU 1056 O HOH A 326 3607 2945 5575 -459 -485 812 O HETATM 1057 O HOH A 327 -2.450 12.443 25.323 1.00 24.28 O ANISOU 1057 O HOH A 327 2617 3052 3555 80 427 834 O HETATM 1058 O HOH A 328 6.743 18.695 6.927 1.00 21.75 O ANISOU 1058 O HOH A 328 2721 3185 2359 411 134 216 O HETATM 1059 O HOH A 329 9.012 19.153 10.650 1.00 25.75 O ANISOU 1059 O HOH A 329 2207 4616 2959 750 310 811 O HETATM 1060 O HOH A 330 3.989 8.216 10.568 1.00 30.26 O ANISOU 1060 O HOH A 330 3749 3821 3927 -1255 -1251 197 O HETATM 1061 O HOH A 331 6.559 25.594 8.885 1.00 42.51 O ANISOU 1061 O HOH A 331 5325 6015 4811 2076 2564 2114 O HETATM 1062 O HOH A 332 0.337 38.920 22.190 1.00 40.75 O ANISOU 1062 O HOH A 332 6360 5929 3194 -3449 158 -605 O HETATM 1063 O HOH A 333 10.554 13.672 30.238 1.00 13.86 O ANISOU 1063 O HOH A 333 2110 2246 909 264 -113 57 O HETATM 1064 O HOH A 334 -2.420 8.997 19.262 1.00 32.28 O ANISOU 1064 O HOH A 334 3011 2712 6542 -138 -528 -1332 O HETATM 1065 O HOH A 335 -0.585 12.552 4.312 1.00 41.04 O ANISOU 1065 O HOH A 335 4282 7349 3961 -2027 -173 -2102 O HETATM 1066 O HOH A 336 15.136 15.327 18.757 0.74 35.31 O ANISOU 1066 O HOH A 336 6156 3079 4182 111 2688 732 O HETATM 1067 O HOH A 337 2.308 17.274 19.255 1.00 14.22 O ANISOU 1067 O HOH A 337 1827 2305 1271 320 242 172 O HETATM 1068 O HOH A 338 3.860 20.528 5.039 1.00 26.40 O ANISOU 1068 O HOH A 338 2833 5408 1790 -24 285 -681 O HETATM 1069 O HOH A 339 2.400 6.052 13.698 1.00 38.24 O ANISOU 1069 O HOH A 339 5302 4279 4948 1294 -773 -2530 O HETATM 1070 O HOH A 340 -10.306 31.660 23.775 1.00 22.07 O ANISOU 1070 O HOH A 340 3184 3518 1684 1014 377 -243 O HETATM 1071 O HOH A 341 -0.110 7.674 20.101 1.00 30.44 O ANISOU 1071 O HOH A 341 3600 3679 4285 -137 -1482 -986 O HETATM 1072 O HOH A 342 16.676 19.299 17.583 1.00 26.22 O ANISOU 1072 O HOH A 342 3765 2928 3269 49 1979 83 O HETATM 1073 O HOH A 343 8.622 12.999 32.556 1.00 17.59 O ANISOU 1073 O HOH A 343 3041 2243 1399 418 328 119 O HETATM 1074 O HOH A 344 4.664 33.725 9.936 1.00 20.91 O ANISOU 1074 O HOH A 344 2494 2495 2956 -582 171 630 O HETATM 1075 O HOH A 345 -14.021 23.899 25.243 1.00 33.89 O ANISOU 1075 O HOH A 345 3287 4559 5030 -1221 1846 -432 O HETATM 1076 O HOH A 346 8.299 28.842 8.415 1.00 26.09 O ANISOU 1076 O HOH A 346 4847 2977 2089 -1266 1017 -660 O HETATM 1077 O HOH A 347 0.813 13.576 36.048 1.00 42.95 O ANISOU 1077 O HOH A 347 6687 5299 4334 -1567 -1539 1369 O HETATM 1078 O HOH A 348 -3.217 38.809 24.819 1.00 24.47 O ANISOU 1078 O HOH A 348 2369 2750 4179 451 544 -1078 O HETATM 1079 O HOH A 349 -0.351 11.847 18.687 1.00 21.86 O ANISOU 1079 O HOH A 349 2669 3576 2061 358 -101 -914 O HETATM 1080 O HOH A 350 11.380 13.526 35.272 1.00 24.94 O ANISOU 1080 O HOH A 350 4941 3070 1465 952 411 -63 O HETATM 1081 O HOH A 351 11.432 6.609 31.010 1.00 15.75 O ANISOU 1081 O HOH A 351 2340 2249 1395 781 488 198 O HETATM 1082 O HOH A 352 -4.790 20.604 1.618 1.00 26.37 O ANISOU 1082 O HOH A 352 3078 5164 1778 447 -364 -635 O HETATM 1083 O HOH A 353 1.062 6.234 29.579 1.00 47.43 O ANISOU 1083 O HOH A 353 6029 5240 6753 -302 1449 2669 O HETATM 1084 O HOH A 354 3.481 11.019 5.102 1.00 28.33 O ANISOU 1084 O HOH A 354 4472 4057 2235 -737 518 -1485 O HETATM 1085 O HOH A 355 3.750 7.702 30.563 1.00 25.49 O ANISOU 1085 O HOH A 355 5247 2641 1798 -12 318 345 O HETATM 1086 O HOH A 356 -10.813 18.890 1.639 1.00 26.66 O ANISOU 1086 O HOH A 356 3139 4311 2679 -620 -733 -610 O HETATM 1087 O HOH A 357 -5.090 17.958 2.310 1.00 26.74 O ANISOU 1087 O HOH A 357 2798 4792 2572 -44 -992 -123 O HETATM 1088 O HOH A 358 6.245 9.535 34.071 1.00 23.44 O ANISOU 1088 O HOH A 358 3672 3520 1713 574 307 1165 O HETATM 1089 O HOH A 359 20.277 20.327 25.093 1.00 44.06 O ANISOU 1089 O HOH A 359 3634 8935 4172 -2195 697 -2363 O HETATM 1090 O HOH A 360 6.508 30.757 6.480 1.00 31.12 O ANISOU 1090 O HOH A 360 3903 5058 2862 -2151 255 944 O HETATM 1091 O HOH A 361 14.824 25.848 26.458 1.00 35.35 O ANISOU 1091 O HOH A 361 7808 3155 2470 -327 -719 -643 O HETATM 1092 O HOH A 362 3.376 25.119 28.585 1.00 21.26 O ANISOU 1092 O HOH A 362 3278 2325 2475 243 2 57 O HETATM 1093 O HOH A 363 2.874 5.212 16.443 1.00 31.82 O ANISOU 1093 O HOH A 363 4381 3956 3752 691 493 174 O HETATM 1094 O HOH A 364 18.934 10.605 30.743 1.00 47.90 O ANISOU 1094 O HOH A 364 5081 6983 6136 2353 -2383 -768 O HETATM 1095 O HOH A 365 15.382 12.448 34.048 1.00 33.47 O ANISOU 1095 O HOH A 365 6071 3361 3284 326 -2396 95 O HETATM 1096 O HOH A 366 -3.263 39.742 18.302 1.00 30.31 O ANISOU 1096 O HOH A 366 3930 4386 3202 -459 1394 -1464 O HETATM 1097 O HOH A 367 5.826 33.954 7.593 1.00 28.63 O ANISOU 1097 O HOH A 367 2429 6049 2401 -1516 506 -947 O HETATM 1098 O HOH A 368 18.266 9.056 28.822 1.00 22.29 O ANISOU 1098 O HOH A 368 2820 2116 3531 347 59 10 O HETATM 1099 O HOH A 369 -7.900 38.685 15.133 1.00 44.89 O ANISOU 1099 O HOH A 369 4770 8980 3306 3267 123 -568 O HETATM 1100 O HOH A 370 2.183 30.953 28.173 1.00 42.23 O ANISOU 1100 O HOH A 370 5506 7389 3149 -3161 -332 -695 O HETATM 1101 O HOH A 371 0.154 32.784 8.268 1.00 32.80 O ANISOU 1101 O HOH A 371 4534 3300 4629 64 -1772 563 O HETATM 1102 O HOH A 372 -3.809 9.912 24.964 1.00 32.85 O ANISOU 1102 O HOH A 372 4723 3190 4567 -1901 -103 1210 O HETATM 1103 O HOH A 373 18.160 7.578 32.671 1.00 32.15 O ANISOU 1103 O HOH A 373 4803 4586 2828 -281 1472 -348 O HETATM 1104 O HOH A 374 10.129 11.521 36.227 1.00 28.93 O ANISOU 1104 O HOH A 374 3474 4853 2664 457 -315 854 O HETATM 1105 O HOH A 375 12.983 7.256 33.220 1.00 33.20 O ANISOU 1105 O HOH A 375 5707 3337 3570 -311 1329 66 O HETATM 1106 O HOH A 376 4.540 12.856 2.696 1.00 40.15 O ANISOU 1106 O HOH A 376 7028 5943 2284 47 96 -541 O HETATM 1107 O HOH A 377 -0.610 39.741 19.368 1.00 32.34 O ANISOU 1107 O HOH A 377 4914 3089 4286 353 1889 -318 O HETATM 1108 O HOH A 378 15.062 9.930 35.452 1.00 32.85 O ANISOU 1108 O HOH A 378 6102 4116 2262 1601 -992 307 O HETATM 1109 O HOH A 379 19.697 19.588 18.499 0.63 44.85 O ANISOU 1109 O HOH A 379 5597 4959 6484 -1412 2868 -2463 O HETATM 1110 O HOH A 380 -1.163 6.665 22.634 1.00 42.67 O ANISOU 1110 O HOH A 380 5338 6277 4596 -2668 380 -585 O CONECT 48 989 CONECT 118 1011 CONECT 138 1017 CONECT 238 897 CONECT 276 1020 CONECT 413 1022 CONECT 474 1021 CONECT 484 1023 CONECT 485 1023 CONECT 487 1023 CONECT 519 1021 CONECT 521 638 CONECT 576 1021 CONECT 580 1021 CONECT 609 732 CONECT 638 521 CONECT 732 609 CONECT 897 238 CONECT 925 1014 CONECT 979 1014 CONECT 989 48 CONECT 1004 1019 CONECT 1011 118 CONECT 1014 925 979 CONECT 1017 138 CONECT 1019 1004 CONECT 1020 276 CONECT 1021 474 519 576 580 CONECT 1021 1063 1073 CONECT 1022 413 CONECT 1023 484 485 487 CONECT 1063 1021 CONECT 1073 1021 END