Browse entries in the PDBbind-CN Database
HEADER HYDROLASE/HYDROLASE INHIBITOR 24-NOV-00 1G9I TITLE CRYSTAL STRUCTURE OF BETA-TRYSIN COMPLEX IN CYCLOHEXANE COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRYPSINOGEN, CATIONIC; COMPND 3 CHAIN: E; COMPND 4 FRAGMENT: BETA-TRYPSIN; COMPND 5 EC: 3.4.21.4; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: BOWMAN-BIRK TYPE TRYPSIN INHIBITOR; COMPND 8 CHAIN: I; COMPND 9 SYNONYM: ARTIFICIAL MUNG BEAN INHIBITOR; COMPND 10 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: CATTLE; SOURCE 4 ORGANISM_TAXID: 9913; SOURCE 5 ORGAN: PANCREAS; SOURCE 6 MOL_ID: 2; SOURCE 7 SYNTHETIC: YES; SOURCE 8 OTHER_DETAILS: THIS PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE SEQUENCE SOURCE 9 IS BASED ON MIMIC BEAN TRYPSIN INHIBITOR. KEYWDS TRYPSIN-INHIBITOR COMPLEX, ORGANIC MEDIA, HYDROLASE-HYDROLASE KEYWDS 2 INHIBITOR COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR G.ZHU,Q.HUANG,Y.ZHU,Y.LI,C.CHI,Y.TANG REVDAT 6 04-OCT-17 1G9I 1 REMARK REVDAT 5 13-JUL-11 1G9I 1 VERSN REVDAT 4 24-FEB-09 1G9I 1 VERSN REVDAT 3 01-APR-03 1G9I 1 JRNL REVDAT 2 11-APR-01 1G9I 1 JRNL REVDAT 1 06-DEC-00 1G9I 0 JRNL AUTH G.ZHU,Q.HUANG,Y.ZHU,Y.LI,C.CHI,Y.TANG JRNL TITL X-RAY STUDY ON AN ARTIFICIAL MUNG BEAN INHIBITOR COMPLEX JRNL TITL 2 WITH BOVINE BETA-TRYPSIN IN NEAT CYCLOHEXANE. JRNL REF BIOCHIM.BIOPHYS.ACTA V.1546 98 2001 JRNL REFN ISSN 0006-3002 JRNL PMID 11257512 JRNL DOI 10.1016/S0167-4838(00)00299-5 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH Y.LI,Q.HUANG,S.ZHANG,S.LIU,C.CHI,Y.TANG REMARK 1 TITL STUDIES ON AN ARTIFICIAL TRYPSIN INHIBITOR PEPTIDE DERIVED REMARK 1 TITL 2 FROM THE MUNG BEAN INHIBITOR REMARK 1 REF J.BIOCHEM.(TOKYO) V. 116 18 1994 REMARK 1 REFN ISSN 0021-924X REMARK 2 REMARK 2 RESOLUTION. 2.20 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 7.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.500 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 11555 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.185 REMARK 3 FREE R VALUE : 0.243 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : 1193 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.20 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.30 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.2600 REMARK 3 BIN FREE R VALUE : 0.3470 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : 116 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1791 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 11 REMARK 3 SOLVENT ATOMS : 180 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 18.70 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 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.007 REMARK 3 BOND ANGLES (DEGREES) : NULL REMARK 3 DIHEDRAL ANGLES (DEGREES) : 26.20 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.370 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1G9I COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 27-NOV-00. REMARK 100 THE DEPOSITION ID IS D_1000012401. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 01-JAN-98 REMARK 200 TEMPERATURE (KELVIN) : 293 REMARK 200 PH : 6.4 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU300 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : GRAPHITE REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IIC REMARK 200 INTENSITY-INTEGRATION SOFTWARE : R-AXIS REMARK 200 DATA SCALING SOFTWARE : R-AXIS REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 12041 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.200 REMARK 200 RESOLUTION RANGE LOW (A) : 70.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.750 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 83.2 REMARK 200 DATA REDUNDANCY : 3.700 REMARK 200 R MERGE (I) : 0.09300 REMARK 200 R SYM (I) : NULL REMARK 200
FOR THE DATA SET : 7.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.28 REMARK 200 COMPLETENESS FOR SHELL (%) : 62.3 REMARK 200 DATA REDUNDANCY IN SHELL : 2.00 REMARK 200 R MERGE FOR SHELL (I) : 0.21700 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200
FOR SHELL : 2.000 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: PDB ENTRY 1SMF REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 53.57 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.65 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 2M AMMONIUM SULPHATE, 0.2M PHOSPHATE REMARK 280 BUFFER, PH 6.4, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 297K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 31.19000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 34.52000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 31.67500 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 34.52000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 31.19000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 31.67500 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 1830 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 9700 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -39.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, I 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 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER E 37 52.54 -146.27 REMARK 500 ASP E 71 -74.12 -140.07 REMARK 500 ASN E 79 -11.79 85.56 REMARK 500 LYS E 87 143.57 178.46 REMARK 500 SER E 214 -90.46 -117.63 REMARK 500 PRO I 302 177.80 -34.93 REMARK 500 CYS I 304 -150.15 44.96 REMARK 500 SER I 306 73.51 37.80 REMARK 500 CYS I 307 93.83 -64.27 REMARK 500 LYS I 311 44.55 -100.57 REMARK 500 CYS I 319 171.58 63.65 REMARK 500 ASN I 321 93.36 -57.67 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA E 801 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASN E 72 O REMARK 620 2 VAL E 75 O 87.4 REMARK 620 3 GLU E 70 OE1 83.3 160.1 REMARK 620 4 GLU E 80 OE2 153.9 93.4 102.7 REMARK 620 5 HOH E 519 O 82.6 108.1 88.1 72.3 REMARK 620 6 HOH E 470 O 116.5 94.2 74.6 89.6 151.7 REMARK 620 N 1 2 3 4 5 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA E 801 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 E 802 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 E 803 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR CHAIN I OF BOWMAN-BIRK TYPE REMARK 800 TRYPSIN INHIBITOR REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1SMF RELATED DB: PDB REMARK 900 1SMF IS THE SAME COMPLEX IN AQUEOUS SOLUTION. DBREF 1G9I E 16 245 UNP P00760 TRY1_BOVIN 21 243 DBREF 1G9I I 301 322 UNP P01062 IBB_PHAAU 10 31 SEQADV 1G9I ARG I 308 UNP P01062 ASP 17 ENGINEERED SEQADV 1G9I GLN I 316 UNP P01062 GLU 25 ENGINEERED SEQRES 1 E 223 ILE VAL GLY GLY TYR THR CYS GLY ALA ASN THR VAL PRO SEQRES 2 E 223 TYR GLN VAL SER LEU ASN SER GLY TYR HIS PHE CYS GLY SEQRES 3 E 223 GLY SER LEU ILE ASN SER GLN TRP VAL VAL SER ALA ALA SEQRES 4 E 223 HIS CYS TYR LYS SER GLY ILE GLN VAL ARG LEU GLY GLU SEQRES 5 E 223 ASP ASN ILE ASN VAL VAL GLU GLY ASN GLU GLN PHE ILE SEQRES 6 E 223 SER ALA SER LYS SER ILE VAL HIS PRO SER TYR ASN SER SEQRES 7 E 223 ASN THR LEU ASN ASN ASP ILE MET LEU ILE LYS LEU LYS SEQRES 8 E 223 SER ALA ALA SER LEU ASN SER ARG VAL ALA SER ILE SER SEQRES 9 E 223 LEU PRO THR SER CYS ALA SER ALA GLY THR GLN CYS LEU SEQRES 10 E 223 ILE SER GLY TRP GLY ASN THR LYS SER SER GLY THR SER SEQRES 11 E 223 TYR PRO ASP VAL LEU LYS CYS LEU LYS ALA PRO ILE LEU SEQRES 12 E 223 SER ASP SER SER CYS LYS SER ALA TYR PRO GLY GLN ILE SEQRES 13 E 223 THR SER ASN MET PHE CYS ALA GLY TYR LEU GLU GLY GLY SEQRES 14 E 223 LYS ASP SER CYS GLN GLY ASP SER GLY GLY PRO VAL VAL SEQRES 15 E 223 CYS SER GLY LYS LEU GLN GLY ILE VAL SER TRP GLY SER SEQRES 16 E 223 GLY CYS ALA GLN LYS ASN LYS PRO GLY VAL TYR THR LYS SEQRES 17 E 223 VAL CYS ASN TYR VAL SER TRP ILE LYS GLN THR ILE ALA SEQRES 18 E 223 SER ASN SEQRES 1 I 22 GLU PRO CYS CYS ASP SER CYS ARG CYS THR LYS SER ILE SEQRES 2 I 22 PRO PRO GLN CYS HIS CYS ALA ASN ILE HET CA E 801 1 HET SO4 E 802 5 HET SO4 E 803 5 HETNAM CA CALCIUM ION HETNAM SO4 SULFATE ION FORMUL 3 CA CA 2+ FORMUL 4 SO4 2(O4 S 2-) FORMUL 6 HOH *180(H2 O) HELIX 1 1 ALA E 55 TYR E 59 5 5 HELIX 2 2 SER E 164 TYR E 172 1 9 HELIX 3 3 TYR E 234 SER E 244 1 11 SHEET 1 A 7 MET E 180 ALA E 183 0 SHEET 2 A 7 GLY E 226 LYS E 230 -1 N GLY E 226 O ALA E 183 SHEET 3 A 7 LYS E 204 GLY E 216 -1 O ILE E 212 N THR E 229 SHEET 4 A 7 PRO E 198 CYS E 201 -1 O VAL E 199 N GLN E 210 SHEET 5 A 7 GLN E 135 GLY E 140 -1 N LEU E 137 O VAL E 200 SHEET 6 A 7 LYS E 156 PRO E 161 -1 O LYS E 156 N GLY E 140 SHEET 7 A 7 TYR E 20 THR E 21 -1 O TYR E 20 N CYS E 157 SHEET 1 B 4 MET E 180 ALA E 183 0 SHEET 2 B 4 GLY E 226 LYS E 230 -1 N GLY E 226 O ALA E 183 SHEET 3 B 4 LYS E 204 GLY E 216 -1 O ILE E 212 N THR E 229 SHEET 4 B 4 CYS I 309 THR I 310 -1 O CYS I 309 N GLY E 216 SHEET 1 C 7 GLN E 30 ASN E 34 0 SHEET 2 C 7 HIS E 40 ASN E 48 -1 N PHE E 41 O LEU E 33 SHEET 3 C 7 TRP E 51 SER E 54 -1 O TRP E 51 N ILE E 47 SHEET 4 C 7 MET E 104 LEU E 108 -1 N MET E 104 O SER E 54 SHEET 5 C 7 GLN E 81 VAL E 90 -1 N SER E 86 O LYS E 107 SHEET 6 C 7 GLN E 64 LEU E 67 -1 N VAL E 65 O ILE E 83 SHEET 7 C 7 GLN E 30 ASN E 34 -1 O SER E 32 N ARG E 66 SSBOND 1 CYS E 22 CYS E 157 1555 1555 2.04 SSBOND 2 CYS E 42 CYS E 58 1555 1555 2.02 SSBOND 3 CYS E 128 CYS E 232 1555 1555 2.03 SSBOND 4 CYS E 136 CYS E 201 1555 1555 2.03 SSBOND 5 CYS E 168 CYS E 182 1555 1555 2.03 SSBOND 6 CYS E 191 CYS E 220 1555 1555 2.03 SSBOND 7 CYS I 303 CYS I 307 1555 1555 2.03 SSBOND 8 CYS I 304 CYS I 319 1555 1555 2.02 SSBOND 9 CYS I 309 CYS I 317 1555 1555 2.03 LINK CA CA E 801 O ASN E 72 1555 1555 2.07 LINK CA CA E 801 O VAL E 75 1555 1555 2.09 LINK CA CA E 801 OE1 GLU E 70 1555 1555 2.46 LINK CA CA E 801 OE2 GLU E 80 1555 1555 2.25 LINK CA CA E 801 O HOH E 519 1555 1555 2.21 LINK CA CA E 801 O HOH E 470 1555 1555 2.07 CISPEP 1 ILE I 313 PRO I 314 0 -0.63 SITE 1 AC1 6 GLU E 70 ASN E 72 VAL E 75 GLU E 80 SITE 2 AC1 6 HOH E 470 HOH E 519 SITE 1 AC2 8 LYS E 169 PRO E 173 GLY E 174 GLN E 240 SITE 2 AC2 8 HOH E 432 HOH E 454 HOH E 584 HOH E 701 SITE 1 AC3 8 ARG E 66 PHE E 82 SER E 166 SER E 167 SITE 2 AC3 8 SER E 170 HOH E 482 HOH E 673 HOH E 680 SITE 1 AC4 27 HIS E 40 PHE E 41 HIS E 57 SER E 96 SITE 2 AC4 27 ASN E 97 THR E 98 LEU E 99 GLY E 133 SITE 3 AC4 27 TYR E 151 GLN E 175 ASP E 189 SER E 190 SITE 4 AC4 27 CYS E 191 GLN E 192 GLY E 193 ASP E 194 SITE 5 AC4 27 SER E 195 SER E 214 TRP E 215 GLY E 216 SITE 6 AC4 27 SER E 217 HOH E 528 HOH I 525 HOH I 572 SITE 7 AC4 27 HOH I 587 HOH I 657 HOH I 676 CRYST1 62.380 63.350 69.040 90.00 90.00 90.00 P 21 21 21 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.016031 0.000000 0.000000 0.00000 SCALE2 0.000000 0.015785 0.000000 0.00000 SCALE3 0.000000 0.000000 0.014484 0.00000 ATOM 1 N ILE E 16 12.349 -5.165 78.445 1.00 20.52 N ATOM 2 CA ILE E 16 11.991 -5.206 76.998 1.00 14.75 C ATOM 3 C ILE E 16 10.519 -5.577 76.888 1.00 16.28 C ATOM 4 O ILE E 16 10.083 -6.569 77.475 1.00 13.95 O ATOM 5 CB ILE E 16 12.806 -6.283 76.244 1.00 16.62 C ATOM 6 CG1 ILE E 16 14.307 -6.039 76.409 1.00 13.20 C ATOM 7 CG2 ILE E 16 12.420 -6.307 74.768 1.00 14.39 C ATOM 8 CD1 ILE E 16 14.768 -4.694 75.913 1.00 17.40 C ATOM 9 N VAL E 17 9.753 -4.752 76.182 1.00 15.78 N ATOM 10 CA VAL E 17 8.328 -4.997 75.976 1.00 14.61 C ATOM 11 C VAL E 17 8.175 -5.425 74.524 1.00 16.10 C ATOM 12 O VAL E 17 8.624 -4.715 73.633 1.00 19.33 O ATOM 13 CB VAL E 17 7.487 -3.721 76.165 1.00 9.68 C ATOM 14 CG1 VAL E 17 6.024 -4.066 76.121 1.00 10.63 C ATOM 15 CG2 VAL E 17 7.838 -3.028 77.459 1.00 13.22 C ATOM 16 N GLY E 18 7.580 -6.590 74.294 1.00 17.10 N ATOM 17 CA GLY E 18 7.389 -7.072 72.937 1.00 21.96 C ATOM 18 C GLY E 18 8.578 -7.811 72.345 1.00 22.61 C ATOM 19 O GLY E 18 8.567 -8.181 71.170 1.00 27.95 O ATOM 20 N GLY E 19 9.607 -8.026 73.150 1.00 22.38 N ATOM 21 CA GLY E 19 10.774 -8.733 72.663 1.00 19.59 C ATOM 22 C GLY E 19 10.593 -10.230 72.801 1.00 19.24 C ATOM 23 O GLY E 19 9.469 -10.715 72.923 1.00 20.54 O ATOM 24 N TYR E 20 11.699 -10.958 72.861 1.00 17.74 N ATOM 25 CA TYR E 20 11.660 -12.414 72.976 1.00 16.88 C ATOM 26 C TYR E 20 12.829 -12.852 73.852 1.00 17.72 C ATOM 27 O TYR E 20 13.711 -12.045 74.143 1.00 22.21 O ATOM 28 CB TYR E 20 11.753 -13.053 71.572 1.00 9.82 C ATOM 29 CG TYR E 20 13.005 -12.685 70.774 1.00 7.25 C ATOM 30 CD1 TYR E 20 13.097 -11.471 70.086 1.00 2.12 C ATOM 31 CD2 TYR E 20 14.114 -13.528 70.761 1.00 2.94 C ATOM 32 CE1 TYR E 20 14.274 -11.112 69.416 1.00 3.69 C ATOM 33 CE2 TYR E 20 15.285 -13.177 70.096 1.00 2.96 C ATOM 34 CZ TYR E 20 15.359 -11.969 69.435 1.00 2.78 C ATOM 35 OH TYR E 20 16.542 -11.601 68.840 1.00 5.21 O ATOM 36 N THR E 21 12.833 -14.099 74.305 1.00 13.60 N ATOM 37 CA THR E 21 13.940 -14.568 75.123 1.00 14.55 C ATOM 38 C THR E 21 15.159 -14.757 74.234 1.00 14.89 C ATOM 39 O THR E 21 15.149 -15.585 73.328 1.00 17.32 O ATOM 40 CB THR E 21 13.622 -15.910 75.816 1.00 14.65 C ATOM 41 OG1 THR E 21 12.501 -15.754 76.693 1.00 13.36 O ATOM 42 CG2 THR E 21 14.816 -16.373 76.623 1.00 14.01 C ATOM 43 N CYS E 22 16.222 -14.014 74.521 1.00 16.91 N ATOM 44 CA CYS E 22 17.460 -14.094 73.745 1.00 17.12 C ATOM 45 C CYS E 22 18.030 -15.505 73.610 1.00 19.95 C ATOM 46 O CYS E 22 18.421 -15.937 72.519 1.00 20.30 O ATOM 47 CB CYS E 22 18.545 -13.209 74.376 1.00 13.53 C ATOM 48 SG CYS E 22 18.132 -11.449 74.617 1.00 14.35 S ATOM 49 N GLY E 23 18.071 -16.223 74.726 1.00 17.94 N ATOM 50 CA GLY E 23 18.650 -17.548 74.725 1.00 16.26 C ATOM 51 C GLY E 23 19.924 -17.356 75.517 1.00 19.69 C ATOM 52 O GLY E 23 20.665 -16.404 75.273 1.00 21.50 O ATOM 53 N ALA E 24 20.168 -18.241 76.476 1.00 21.51 N ATOM 54 CA ALA E 24 21.331 -18.152 77.348 1.00 21.78 C ATOM 55 C ALA E 24 22.636 -17.857 76.655 1.00 20.15 C ATOM 56 O ALA E 24 23.035 -18.581 75.755 1.00 24.86 O ATOM 57 CB ALA E 24 21.466 -19.416 78.188 1.00 27.02 C ATOM 58 N ASN E 25 23.273 -16.765 77.065 1.00 18.08 N ATOM 59 CA ASN E 25 24.572 -16.340 76.543 1.00 20.44 C ATOM 60 C ASN E 25 24.681 -16.020 75.044 1.00 22.24 C ATOM 61 O ASN E 25 25.789 -15.975 74.485 1.00 25.21 O ATOM 62 CB ASN E 25 25.648 -17.350 76.944 1.00 24.65 C ATOM 63 CG ASN E 25 25.744 -17.537 78.450 1.00 26.22 C ATOM 64 OD1 ASN E 25 25.192 -18.486 79.012 1.00 25.81 O ATOM 65 ND2 ASN E 25 26.468 -16.650 79.104 1.00 27.73 N ATOM 66 N THR E 26 23.551 -15.755 74.396 1.00 18.83 N ATOM 67 CA THR E 26 23.569 -15.421 72.978 1.00 20.05 C ATOM 68 C THR E 26 23.929 -13.947 72.753 1.00 20.37 C ATOM 69 O THR E 26 24.153 -13.520 71.621 1.00 22.94 O ATOM 70 CB THR E 26 22.229 -15.741 72.303 1.00 15.39 C ATOM 71 OG1 THR E 26 21.170 -15.079 73.002 1.00 15.82 O ATOM 72 CG2 THR E 26 21.984 -17.245 72.300 1.00 13.08 C ATOM 73 N VAL E 27 23.963 -13.169 73.831 1.00 17.98 N ATOM 74 CA VAL E 27 24.315 -11.752 73.759 1.00 15.33 C ATOM 75 C VAL E 27 25.473 -11.587 74.753 1.00 13.65 C ATOM 76 O VAL E 27 25.357 -10.872 75.738 1.00 14.32 O ATOM 77 CB VAL E 27 23.114 -10.849 74.170 1.00 13.59 C ATOM 78 CG1 VAL E 27 23.444 -9.405 73.937 1.00 13.61 C ATOM 79 CG2 VAL E 27 21.857 -11.208 73.382 1.00 9.76 C ATOM 80 N PRO E 28 26.641 -12.186 74.444 1.00 15.85 N ATOM 81 CA PRO E 28 27.848 -12.156 75.282 1.00 13.83 C ATOM 82 C PRO E 28 28.406 -10.832 75.802 1.00 18.66 C ATOM 83 O PRO E 28 29.245 -10.832 76.710 1.00 21.25 O ATOM 84 CB PRO E 28 28.877 -12.922 74.437 1.00 13.85 C ATOM 85 CG PRO E 28 28.450 -12.643 73.038 1.00 13.76 C ATOM 86 CD PRO E 28 26.944 -12.804 73.135 1.00 14.25 C ATOM 87 N TYR E 29 27.954 -9.709 75.268 1.00 15.03 N ATOM 88 CA TYR E 29 28.471 -8.421 75.733 1.00 16.93 C ATOM 89 C TYR E 29 27.572 -7.742 76.775 1.00 12.90 C ATOM 90 O TYR E 29 27.946 -6.727 77.361 1.00 14.64 O ATOM 91 CB TYR E 29 28.713 -7.487 74.541 1.00 14.82 C ATOM 92 CG TYR E 29 27.528 -7.436 73.627 1.00 15.41 C ATOM 93 CD1 TYR E 29 26.457 -6.595 73.899 1.00 15.39 C ATOM 94 CD2 TYR E 29 27.438 -8.295 72.533 1.00 11.62 C ATOM 95 CE1 TYR E 29 25.320 -6.611 73.110 1.00 19.34 C ATOM 96 CE2 TYR E 29 26.301 -8.321 71.736 1.00 17.08 C ATOM 97 CZ TYR E 29 25.247 -7.477 72.032 1.00 17.45 C ATOM 98 OH TYR E 29 24.115 -7.511 71.260 1.00 22.16 O ATOM 99 N GLN E 30 26.389 -8.293 76.996 1.00 10.98 N ATOM 100 CA GLN E 30 25.455 -7.735 77.960 1.00 12.19 C ATOM 101 C GLN E 30 25.892 -7.971 79.419 1.00 13.29 C ATOM 102 O GLN E 30 26.198 -9.100 79.807 1.00 13.73 O ATOM 103 CB GLN E 30 24.071 -8.341 77.725 1.00 12.85 C ATOM 104 CG GLN E 30 22.993 -7.871 78.683 1.00 17.85 C ATOM 105 CD GLN E 30 22.410 -6.537 78.302 1.00 18.86 C ATOM 106 OE1 GLN E 30 21.573 -6.451 77.405 1.00 25.20 O ATOM 107 NE2 GLN E 30 22.832 -5.485 78.987 1.00 23.07 N ATOM 108 N VAL E 31 25.978 -6.898 80.203 1.00 12.44 N ATOM 109 CA VAL E 31 26.334 -7.010 81.620 1.00 8.53 C ATOM 110 C VAL E 31 25.160 -6.481 82.420 1.00 10.98 C ATOM 111 O VAL E 31 24.375 -5.665 81.924 1.00 9.69 O ATOM 112 CB VAL E 31 27.586 -6.190 82.015 1.00 5.42 C ATOM 113 CG1 VAL E 31 28.774 -6.570 81.163 1.00 9.34 C ATOM 114 CG2 VAL E 31 27.314 -4.714 81.947 1.00 2.61 C ATOM 115 N SER E 32 25.009 -6.981 83.639 1.00 17.22 N ATOM 116 CA SER E 32 23.933 -6.545 84.524 1.00 18.57 C ATOM 117 C SER E 32 24.543 -5.726 85.662 1.00 18.32 C ATOM 118 O SER E 32 25.465 -6.191 86.345 1.00 23.94 O ATOM 119 CB SER E 32 23.183 -7.760 85.089 1.00 17.03 C ATOM 120 OG SER E 32 22.103 -7.366 85.922 1.00 18.39 O ATOM 121 N LEU E 33 24.099 -4.480 85.806 1.00 16.05 N ATOM 122 CA LEU E 33 24.589 -3.629 86.883 1.00 11.11 C ATOM 123 C LEU E 33 23.766 -3.953 88.135 1.00 10.41 C ATOM 124 O LEU E 33 22.558 -3.707 88.209 1.00 6.82 O ATOM 125 CB LEU E 33 24.527 -2.154 86.498 1.00 2.76 C ATOM 126 CG LEU E 33 25.430 -1.816 85.308 1.00 4.93 C ATOM 127 CD1 LEU E 33 25.624 -0.321 85.263 1.00 3.41 C ATOM 128 CD2 LEU E 33 26.787 -2.513 85.404 1.00 3.24 C ATOM 129 N ASN E 34 24.442 -4.547 89.103 1.00 12.74 N ATOM 130 CA ASN E 34 23.813 -5.000 90.328 1.00 15.30 C ATOM 131 C ASN E 34 24.301 -4.285 91.587 1.00 14.56 C ATOM 132 O ASN E 34 25.473 -3.926 91.705 1.00 16.78 O ATOM 133 CB ASN E 34 24.068 -6.510 90.440 1.00 18.29 C ATOM 134 CG ASN E 34 23.348 -7.157 91.600 1.00 16.57 C ATOM 135 OD1 ASN E 34 23.879 -7.229 92.701 1.00 17.73 O ATOM 136 ND2 ASN E 34 22.154 -7.670 91.348 1.00 11.51 N ATOM 137 N SER E 37 23.368 -4.033 92.497 1.00 15.02 N ATOM 138 CA SER E 37 23.659 -3.418 93.785 1.00 16.33 C ATOM 139 C SER E 37 22.658 -4.062 94.755 1.00 14.26 C ATOM 140 O SER E 37 21.912 -3.370 95.457 1.00 12.60 O ATOM 141 CB SER E 37 23.469 -1.902 93.719 1.00 16.37 C ATOM 142 OG SER E 37 22.125 -1.580 93.431 1.00 18.29 O ATOM 143 N GLY E 38 22.644 -5.401 94.752 1.00 12.74 N ATOM 144 CA GLY E 38 21.728 -6.176 95.580 1.00 10.15 C ATOM 145 C GLY E 38 20.428 -6.429 94.830 1.00 16.34 C ATOM 146 O GLY E 38 19.450 -6.949 95.376 1.00 17.95 O ATOM 147 N TYR E 39 20.419 -6.013 93.569 1.00 17.23 N ATOM 148 CA TYR E 39 19.288 -6.151 92.660 1.00 17.05 C ATOM 149 C TYR E 39 19.763 -5.580 91.322 1.00 14.80 C ATOM 150 O TYR E 39 20.712 -4.794 91.280 1.00 8.79 O ATOM 151 CB TYR E 39 18.070 -5.358 93.154 1.00 18.89 C ATOM 152 CG TYR E 39 18.312 -3.864 93.297 1.00 23.03 C ATOM 153 CD1 TYR E 39 19.063 -3.360 94.365 1.00 25.34 C ATOM 154 CD2 TYR E 39 17.807 -2.961 92.367 1.00 22.97 C ATOM 155 CE1 TYR E 39 19.309 -2.005 94.498 1.00 23.94 C ATOM 156 CE2 TYR E 39 18.043 -1.594 92.493 1.00 22.79 C ATOM 157 CZ TYR E 39 18.795 -1.127 93.562 1.00 26.07 C ATOM 158 OH TYR E 39 19.018 0.219 93.719 1.00 25.32 O ATOM 159 N HIS E 40 19.149 -6.020 90.230 1.00 16.06 N ATOM 160 CA HIS E 40 19.508 -5.521 88.906 1.00 11.12 C ATOM 161 C HIS E 40 18.861 -4.153 88.744 1.00 6.84 C ATOM 162 O HIS E 40 17.634 -4.025 88.838 1.00 5.23 O ATOM 163 CB HIS E 40 19.011 -6.487 87.807 1.00 11.20 C ATOM 164 CG HIS E 40 18.947 -5.873 86.437 1.00 9.89 C ATOM 165 ND1 HIS E 40 20.062 -5.690 85.645 1.00 11.92 N ATOM 166 CD2 HIS E 40 17.905 -5.361 85.738 1.00 11.67 C ATOM 167 CE1 HIS E 40 19.711 -5.087 84.523 1.00 10.95 C ATOM 168 NE2 HIS E 40 18.408 -4.875 84.556 1.00 12.50 N ATOM 169 N PHE E 41 19.672 -3.128 88.513 1.00 7.38 N ATOM 170 CA PHE E 41 19.112 -1.794 88.333 1.00 10.24 C ATOM 171 C PHE E 41 19.263 -1.242 86.918 1.00 12.06 C ATOM 172 O PHE E 41 18.355 -0.586 86.411 1.00 15.21 O ATOM 173 CB PHE E 41 19.627 -0.796 89.397 1.00 5.30 C ATOM 174 CG PHE E 41 21.103 -0.503 89.323 1.00 5.35 C ATOM 175 CD1 PHE E 41 21.571 0.600 88.620 1.00 2.78 C ATOM 176 CD2 PHE E 41 22.022 -1.297 90.002 1.00 6.02 C ATOM 177 CE1 PHE E 41 22.933 0.903 88.595 1.00 2.00 C ATOM 178 CE2 PHE E 41 23.383 -0.999 89.984 1.00 4.47 C ATOM 179 CZ PHE E 41 23.837 0.106 89.275 1.00 2.00 C ATOM 180 N CYS E 42 20.379 -1.547 86.266 1.00 8.91 N ATOM 181 CA CYS E 42 20.614 -1.069 84.910 1.00 11.92 C ATOM 182 C CYS E 42 21.330 -2.118 84.078 1.00 12.68 C ATOM 183 O CYS E 42 21.725 -3.162 84.587 1.00 17.43 O ATOM 184 CB CYS E 42 21.468 0.202 84.944 1.00 11.84 C ATOM 185 SG CYS E 42 20.558 1.773 84.938 1.00 12.11 S ATOM 186 N GLY E 43 21.498 -1.831 82.797 1.00 12.61 N ATOM 187 CA GLY E 43 22.196 -2.738 81.911 1.00 8.66 C ATOM 188 C GLY E 43 23.491 -2.090 81.455 1.00 8.03 C ATOM 189 O GLY E 43 23.763 -0.930 81.755 1.00 7.46 O ATOM 190 N GLY E 44 24.307 -2.841 80.740 1.00 10.63 N ATOM 191 CA GLY E 44 25.556 -2.303 80.242 1.00 12.46 C ATOM 192 C GLY E 44 26.070 -3.228 79.155 1.00 14.31 C ATOM 193 O GLY E 44 25.448 -4.250 78.851 1.00 10.33 O ATOM 194 N SER E 45 27.183 -2.862 78.545 1.00 14.26 N ATOM 195 CA SER E 45 27.774 -3.684 77.512 1.00 17.23 C ATOM 196 C SER E 45 29.265 -3.622 77.718 1.00 16.96 C ATOM 197 O SER E 45 29.807 -2.588 78.100 1.00 21.45 O ATOM 198 CB SER E 45 27.377 -3.206 76.108 1.00 17.46 C ATOM 199 OG SER E 45 27.498 -1.803 75.977 1.00 27.64 O ATOM 200 N LEU E 46 29.902 -4.771 77.590 1.00 14.49 N ATOM 201 CA LEU E 46 31.330 -4.882 77.763 1.00 9.62 C ATOM 202 C LEU E 46 31.968 -4.497 76.438 1.00 13.10 C ATOM 203 O LEU E 46 31.624 -5.052 75.402 1.00 15.52 O ATOM 204 CB LEU E 46 31.663 -6.332 78.107 1.00 11.75 C ATOM 205 CG LEU E 46 33.058 -6.710 78.589 1.00 11.07 C ATOM 206 CD1 LEU E 46 33.288 -6.160 79.986 1.00 12.64 C ATOM 207 CD2 LEU E 46 33.163 -8.216 78.601 1.00 9.05 C ATOM 208 N ILE E 47 32.877 -3.532 76.458 1.00 15.61 N ATOM 209 CA ILE E 47 33.544 -3.116 75.235 1.00 16.38 C ATOM 210 C ILE E 47 34.928 -3.739 75.151 1.00 17.25 C ATOM 211 O ILE E 47 35.527 -3.803 74.075 1.00 22.66 O ATOM 212 CB ILE E 47 33.595 -1.583 75.087 1.00 13.46 C ATOM 213 CG1 ILE E 47 34.440 -0.952 76.182 1.00 12.90 C ATOM 214 CG2 ILE E 47 32.199 -1.026 75.121 1.00 8.47 C ATOM 215 CD1 ILE E 47 34.566 0.544 76.041 1.00 10.05 C ATOM 216 N ASN E 48 35.428 -4.195 76.293 1.00 13.54 N ATOM 217 CA ASN E 48 36.709 -4.880 76.379 1.00 15.41 C ATOM 218 C ASN E 48 36.797 -5.603 77.721 1.00 17.15 C ATOM 219 O ASN E 48 35.909 -5.462 78.563 1.00 13.74 O ATOM 220 CB ASN E 48 37.912 -3.953 76.124 1.00 19.47 C ATOM 221 CG ASN E 48 38.131 -2.927 77.220 1.00 21.88 C ATOM 222 OD1 ASN E 48 37.836 -3.161 78.387 1.00 26.52 O ATOM 223 ND2 ASN E 48 38.682 -1.785 76.845 1.00 25.48 N ATOM 224 N SER E 49 37.877 -6.342 77.941 1.00 17.87 N ATOM 225 CA SER E 49 38.027 -7.122 79.168 1.00 19.17 C ATOM 226 C SER E 49 37.951 -6.387 80.499 1.00 18.49 C ATOM 227 O SER E 49 37.660 -7.007 81.520 1.00 21.40 O ATOM 228 CB SER E 49 39.319 -7.938 79.120 1.00 17.21 C ATOM 229 OG SER E 49 40.450 -7.098 79.220 1.00 18.40 O ATOM 230 N GLN E 50 38.205 -5.084 80.505 1.00 18.43 N ATOM 231 CA GLN E 50 38.190 -4.322 81.755 1.00 18.55 C ATOM 232 C GLN E 50 37.296 -3.076 81.730 1.00 15.69 C ATOM 233 O GLN E 50 37.262 -2.308 82.690 1.00 11.83 O ATOM 234 CB GLN E 50 39.631 -3.946 82.120 1.00 23.94 C ATOM 235 CG GLN E 50 39.823 -3.289 83.471 1.00 28.83 C ATOM 236 CD GLN E 50 41.091 -3.756 84.152 1.00 33.03 C ATOM 237 OE1 GLN E 50 41.051 -4.636 85.011 1.00 37.45 O ATOM 238 NE2 GLN E 50 42.224 -3.179 83.769 1.00 34.59 N ATOM 239 N TRP E 51 36.538 -2.892 80.657 1.00 13.61 N ATOM 240 CA TRP E 51 35.693 -1.712 80.557 1.00 10.85 C ATOM 241 C TRP E 51 34.293 -1.992 80.073 1.00 6.04 C ATOM 242 O TRP E 51 34.083 -2.781 79.154 1.00 8.74 O ATOM 243 CB TRP E 51 36.355 -0.678 79.662 1.00 10.26 C ATOM 244 CG TRP E 51 37.475 0.038 80.315 1.00 6.59 C ATOM 245 CD1 TRP E 51 38.799 -0.270 80.242 1.00 10.46 C ATOM 246 CD2 TRP E 51 37.380 1.243 81.076 1.00 3.05 C ATOM 247 NE1 TRP E 51 39.541 0.680 80.902 1.00 5.88 N ATOM 248 CE2 TRP E 51 38.692 1.618 81.425 1.00 6.15 C ATOM 249 CE3 TRP E 51 36.314 2.046 81.489 1.00 5.61 C ATOM 250 CZ2 TRP E 51 38.965 2.770 82.168 1.00 6.82 C ATOM 251 CZ3 TRP E 51 36.582 3.181 82.219 1.00 6.23 C ATOM 252 CH2 TRP E 51 37.899 3.534 82.555 1.00 5.67 C ATOM 253 N VAL E 52 33.337 -1.318 80.698 1.00 9.45 N ATOM 254 CA VAL E 52 31.922 -1.461 80.392 1.00 6.73 C ATOM 255 C VAL E 52 31.342 -0.094 80.036 1.00 9.15 C ATOM 256 O VAL E 52 31.815 0.933 80.526 1.00 7.24 O ATOM 257 CB VAL E 52 31.172 -2.023 81.625 1.00 9.31 C ATOM 258 CG1 VAL E 52 29.656 -1.890 81.472 1.00 7.92 C ATOM 259 CG2 VAL E 52 31.572 -3.465 81.866 1.00 6.84 C ATOM 260 N VAL E 53 30.361 -0.080 79.137 1.00 7.60 N ATOM 261 CA VAL E 53 29.699 1.157 78.743 1.00 6.76 C ATOM 262 C VAL E 53 28.268 1.028 79.217 1.00 5.40 C ATOM 263 O VAL E 53 27.671 -0.055 79.122 1.00 9.83 O ATOM 264 CB VAL E 53 29.744 1.403 77.198 1.00 8.69 C ATOM 265 CG1 VAL E 53 28.950 2.642 76.841 1.00 4.04 C ATOM 266 CG2 VAL E 53 31.184 1.622 76.749 1.00 7.42 C ATOM 267 N SER E 54 27.752 2.098 79.813 1.00 5.53 N ATOM 268 CA SER E 54 26.386 2.129 80.315 1.00 2.46 C ATOM 269 C SER E 54 25.934 3.582 80.252 1.00 3.89 C ATOM 270 O SER E 54 26.653 4.431 79.716 1.00 10.09 O ATOM 271 CB SER E 54 26.333 1.601 81.758 1.00 4.89 C ATOM 272 OG SER E 54 24.994 1.542 82.231 1.00 6.41 O ATOM 273 N ALA E 55 24.759 3.865 80.807 1.00 3.32 N ATOM 274 CA ALA E 55 24.187 5.210 80.830 1.00 4.92 C ATOM 275 C ALA E 55 24.626 6.006 82.066 1.00 10.56 C ATOM 276 O ALA E 55 24.708 5.464 83.164 1.00 13.98 O ATOM 277 CB ALA E 55 22.670 5.115 80.800 1.00 2.31 C ATOM 278 N ALA E 56 24.858 7.303 81.895 1.00 14.67 N ATOM 279 CA ALA E 56 25.261 8.166 83.010 1.00 14.62 C ATOM 280 C ALA E 56 24.189 8.241 84.103 1.00 13.36 C ATOM 281 O ALA E 56 24.510 8.408 85.271 1.00 14.72 O ATOM 282 CB ALA E 56 25.614 9.571 82.513 1.00 12.25 C ATOM 283 N HIS E 57 22.923 8.077 83.730 1.00 10.56 N ATOM 284 CA HIS E 57 21.845 8.133 84.708 1.00 12.73 C ATOM 285 C HIS E 57 21.698 6.837 85.507 1.00 13.19 C ATOM 286 O HIS E 57 20.747 6.679 86.264 1.00 16.24 O ATOM 287 CB HIS E 57 20.515 8.508 84.042 1.00 12.71 C ATOM 288 CG HIS E 57 19.822 7.367 83.358 1.00 18.11 C ATOM 289 ND1 HIS E 57 19.952 7.118 82.008 1.00 17.21 N ATOM 290 CD2 HIS E 57 18.945 6.447 83.823 1.00 17.87 C ATOM 291 CE1 HIS E 57 19.180 6.103 81.670 1.00 15.21 C ATOM 292 NE2 HIS E 57 18.556 5.678 82.754 1.00 18.75 N ATOM 293 N CYS E 58 22.614 5.901 85.289 1.00 13.20 N ATOM 294 CA CYS E 58 22.604 4.623 85.986 1.00 12.87 C ATOM 295 C CYS E 58 23.590 4.657 87.144 1.00 13.44 C ATOM 296 O CYS E 58 23.625 3.744 87.961 1.00 15.66 O ATOM 297 CB CYS E 58 23.020 3.498 85.035 1.00 13.11 C ATOM 298 SG CYS E 58 21.755 2.978 83.844 1.00 9.04 S ATOM 299 N TYR E 59 24.400 5.711 87.194 1.00 17.84 N ATOM 300 CA TYR E 59 25.420 5.876 88.224 1.00 16.54 C ATOM 301 C TYR E 59 24.940 5.843 89.661 1.00 17.73 C ATOM 302 O TYR E 59 23.964 6.506 90.025 1.00 17.31 O ATOM 303 CB TYR E 59 26.212 7.166 88.012 1.00 11.84 C ATOM 304 CG TYR E 59 27.179 7.428 89.133 1.00 13.00 C ATOM 305 CD1 TYR E 59 28.439 6.848 89.128 1.00 9.45 C ATOM 306 CD2 TYR E 59 26.790 8.162 90.261 1.00 13.36 C ATOM 307 CE1 TYR E 59 29.286 6.974 90.217 1.00 15.53 C ATOM 308 CE2 TYR E 59 27.627 8.289 91.359 1.00 14.85 C ATOM 309 CZ TYR E 59 28.872 7.686 91.333 1.00 14.40 C ATOM 310 OH TYR E 59 29.673 7.724 92.444 1.00 18.85 O ATOM 311 N LYS E 60 25.733 5.156 90.482 1.00 20.85 N ATOM 312 CA LYS E 60 25.520 5.006 91.917 1.00 17.16 C ATOM 313 C LYS E 60 26.752 4.315 92.482 1.00 17.47 C ATOM 314 O LYS E 60 27.559 3.770 91.731 1.00 15.47 O ATOM 315 CB LYS E 60 24.271 4.190 92.204 1.00 17.97 C ATOM 316 CG LYS E 60 24.205 2.886 91.464 1.00 23.84 C ATOM 317 CD LYS E 60 22.829 2.283 91.611 1.00 30.89 C ATOM 318 CE LYS E 60 22.586 1.777 93.015 1.00 35.01 C ATOM 319 NZ LYS E 60 21.284 1.075 93.094 1.00 36.57 N ATOM 320 N SER E 61 26.931 4.380 93.795 1.00 20.69 N ATOM 321 CA SER E 61 28.084 3.751 94.428 1.00 22.38 C ATOM 322 C SER E 61 27.882 2.258 94.571 1.00 20.76 C ATOM 323 O SER E 61 26.755 1.757 94.509 1.00 18.07 O ATOM 324 CB SER E 61 28.322 4.337 95.821 1.00 23.80 C ATOM 325 OG SER E 61 28.587 5.723 95.763 1.00 30.35 O ATOM 326 N GLY E 62 28.988 1.556 94.771 1.00 20.64 N ATOM 327 CA GLY E 62 28.935 0.123 94.974 1.00 27.42 C ATOM 328 C GLY E 62 28.240 -0.638 93.877 1.00 25.71 C ATOM 329 O GLY E 62 27.291 -1.382 94.125 1.00 31.42 O ATOM 330 N ILE E 63 28.713 -0.440 92.657 1.00 25.26 N ATOM 331 CA ILE E 63 28.146 -1.116 91.508 1.00 19.63 C ATOM 332 C ILE E 63 28.919 -2.398 91.317 1.00 15.76 C ATOM 333 O ILE E 63 30.147 -2.417 91.432 1.00 13.43 O ATOM 334 CB ILE E 63 28.245 -0.238 90.224 1.00 19.48 C ATOM 335 CG1 ILE E 63 27.079 0.752 90.168 1.00 17.40 C ATOM 336 CG2 ILE E 63 28.248 -1.101 88.972 1.00 22.11 C ATOM 337 CD1 ILE E 63 27.174 1.762 89.054 1.00 20.96 C ATOM 338 N GLN E 64 28.191 -3.493 91.185 1.00 15.51 N ATOM 339 CA GLN E 64 28.824 -4.767 90.916 1.00 17.91 C ATOM 340 C GLN E 64 28.390 -5.112 89.494 1.00 12.81 C ATOM 341 O GLN E 64 27.218 -4.918 89.124 1.00 8.15 O ATOM 342 CB GLN E 64 28.386 -5.864 91.888 1.00 14.41 C ATOM 343 CG GLN E 64 29.192 -7.152 91.701 1.00 10.41 C ATOM 344 CD GLN E 64 28.656 -8.312 92.499 1.00 12.95 C ATOM 345 OE1 GLN E 64 27.495 -8.688 92.360 1.00 11.10 O ATOM 346 NE2 GLN E 64 29.510 -8.907 93.327 1.00 7.53 N ATOM 347 N VAL E 65 29.363 -5.491 88.675 1.00 12.05 N ATOM 348 CA VAL E 65 29.108 -5.860 87.287 1.00 14.59 C ATOM 349 C VAL E 65 29.006 -7.373 87.168 1.00 12.13 C ATOM 350 O VAL E 65 29.960 -8.097 87.447 1.00 14.93 O ATOM 351 CB VAL E 65 30.232 -5.350 86.356 1.00 13.15 C ATOM 352 CG1 VAL E 65 29.856 -5.611 84.899 1.00 14.82 C ATOM 353 CG2 VAL E 65 30.486 -3.866 86.596 1.00 10.71 C ATOM 354 N ARG E 66 27.848 -7.846 86.737 1.00 13.29 N ATOM 355 CA ARG E 66 27.627 -9.275 86.596 1.00 14.62 C ATOM 356 C ARG E 66 27.632 -9.661 85.111 1.00 17.86 C ATOM 357 O ARG E 66 26.710 -9.312 84.367 1.00 16.42 O ATOM 358 CB ARG E 66 26.299 -9.637 87.253 1.00 19.63 C ATOM 359 CG ARG E 66 25.905 -8.678 88.376 1.00 15.80 C ATOM 360 CD ARG E 66 25.995 -9.292 89.747 1.00 17.07 C ATOM 361 NE ARG E 66 24.834 -10.121 90.056 1.00 19.78 N ATOM 362 CZ ARG E 66 24.523 -10.559 91.277 1.00 18.11 C ATOM 363 NH1 ARG E 66 25.277 -10.248 92.324 1.00 13.35 N ATOM 364 NH2 ARG E 66 23.455 -11.328 91.445 1.00 13.72 N ATOM 365 N LEU E 67 28.687 -10.353 84.688 1.00 18.21 N ATOM 366 CA LEU E 67 28.860 -10.792 83.302 1.00 19.38 C ATOM 367 C LEU E 67 28.498 -12.268 83.124 1.00 23.37 C ATOM 368 O LEU E 67 28.652 -13.066 84.055 1.00 28.62 O ATOM 369 CB LEU E 67 30.320 -10.603 82.871 1.00 16.86 C ATOM 370 CG LEU E 67 31.056 -9.294 83.153 1.00 17.89 C ATOM 371 CD1 LEU E 67 31.546 -9.252 84.593 1.00 24.54 C ATOM 372 CD2 LEU E 67 32.238 -9.173 82.226 1.00 18.59 C ATOM 373 N GLY E 69 28.060 -12.628 81.917 1.00 22.07 N ATOM 374 CA GLY E 69 27.698 -14.007 81.610 1.00 17.89 C ATOM 375 C GLY E 69 26.347 -14.434 82.141 1.00 14.67 C ATOM 376 O GLY E 69 26.074 -15.622 82.319 1.00 19.60 O ATOM 377 N GLU E 70 25.474 -13.466 82.342 1.00 12.03 N ATOM 378 CA GLU E 70 24.166 -13.742 82.892 1.00 14.67 C ATOM 379 C GLU E 70 23.108 -14.040 81.867 1.00 12.47 C ATOM 380 O GLU E 70 23.201 -13.620 80.716 1.00 20.82 O ATOM 381 CB GLU E 70 23.678 -12.543 83.714 1.00 19.09 C ATOM 382 CG GLU E 70 24.485 -12.231 84.948 1.00 24.36 C ATOM 383 CD GLU E 70 24.056 -13.040 86.150 1.00 26.65 C ATOM 384 OE1 GLU E 70 23.088 -13.827 86.047 1.00 28.95 O ATOM 385 OE2 GLU E 70 24.693 -12.874 87.208 1.00 30.38 O ATOM 386 N ASP E 71 22.099 -14.772 82.319 1.00 7.13 N ATOM 387 CA ASP E 71 20.923 -15.092 81.541 1.00 9.33 C ATOM 388 C ASP E 71 19.885 -14.941 82.625 1.00 11.23 C ATOM 389 O ASP E 71 19.198 -13.928 82.675 1.00 12.57 O ATOM 390 CB ASP E 71 20.928 -16.514 80.979 1.00 12.33 C ATOM 391 CG ASP E 71 19.759 -16.759 80.026 1.00 15.10 C ATOM 392 OD1 ASP E 71 19.433 -15.842 79.235 1.00 17.07 O ATOM 393 OD2 ASP E 71 19.163 -17.854 80.069 1.00 15.03 O ATOM 394 N ASN E 72 19.823 -15.906 83.543 1.00 13.51 N ATOM 395 CA ASN E 72 18.888 -15.805 84.662 1.00 15.84 C ATOM 396 C ASN E 72 19.597 -15.025 85.773 1.00 17.53 C ATOM 397 O ASN E 72 20.589 -15.505 86.354 1.00 17.83 O ATOM 398 CB ASN E 72 18.464 -17.179 85.184 1.00 15.83 C ATOM 399 CG ASN E 72 17.342 -17.084 86.211 1.00 19.83 C ATOM 400 OD1 ASN E 72 17.291 -16.139 87.010 1.00 17.60 O ATOM 401 ND2 ASN E 72 16.436 -18.049 86.190 1.00 18.48 N ATOM 402 N ILE E 73 19.139 -13.805 86.026 1.00 18.73 N ATOM 403 CA ILE E 73 19.756 -12.963 87.050 1.00 20.75 C ATOM 404 C ILE E 73 19.443 -13.393 88.488 1.00 20.31 C ATOM 405 O ILE E 73 20.126 -12.993 89.421 1.00 18.17 O ATOM 406 CB ILE E 73 19.396 -11.466 86.864 1.00 17.43 C ATOM 407 CG1 ILE E 73 17.884 -11.286 86.772 1.00 16.44 C ATOM 408 CG2 ILE E 73 20.115 -10.902 85.650 1.00 17.54 C ATOM 409 CD1 ILE E 73 17.442 -9.848 86.564 1.00 23.29 C ATOM 410 N ASN E 74 18.433 -14.235 88.650 1.00 23.48 N ATOM 411 CA ASN E 74 18.033 -14.717 89.963 1.00 24.16 C ATOM 412 C ASN E 74 18.771 -15.989 90.397 1.00 23.14 C ATOM 413 O ASN E 74 19.041 -16.178 91.579 1.00 29.24 O ATOM 414 CB ASN E 74 16.512 -14.923 90.002 1.00 22.13 C ATOM 415 CG ASN E 74 15.734 -13.629 89.731 1.00 24.81 C ATOM 416 OD1 ASN E 74 16.172 -12.540 90.096 1.00 22.94 O ATOM 417 ND2 ASN E 74 14.581 -13.749 89.088 1.00 22.48 N ATOM 418 N VAL E 75 19.123 -16.844 89.446 1.00 22.51 N ATOM 419 CA VAL E 75 19.818 -18.097 89.754 1.00 22.20 C ATOM 420 C VAL E 75 21.256 -18.114 89.235 1.00 21.90 C ATOM 421 O VAL E 75 21.580 -17.452 88.224 1.00 22.27 O ATOM 422 CB VAL E 75 19.073 -19.320 89.117 1.00 22.64 C ATOM 423 CG1 VAL E 75 19.860 -20.612 89.323 1.00 18.58 C ATOM 424 CG2 VAL E 75 17.662 -19.455 89.689 1.00 22.88 C ATOM 425 N VAL E 76 22.131 -18.821 89.947 1.00 18.62 N ATOM 426 CA VAL E 76 23.513 -18.972 89.511 1.00 19.67 C ATOM 427 C VAL E 76 23.456 -20.277 88.729 1.00 21.00 C ATOM 428 O VAL E 76 23.050 -21.295 89.276 1.00 20.71 O ATOM 429 CB VAL E 76 24.498 -19.129 90.691 1.00 18.89 C ATOM 430 CG1 VAL E 76 25.893 -19.461 90.174 1.00 15.88 C ATOM 431 CG2 VAL E 76 24.548 -17.845 91.515 1.00 18.98 C ATOM 432 N GLU E 77 23.784 -20.231 87.440 1.00 19.24 N ATOM 433 CA GLU E 77 23.741 -21.432 86.612 1.00 16.72 C ATOM 434 C GLU E 77 25.000 -21.656 85.788 1.00 15.38 C ATOM 435 O GLU E 77 24.966 -22.330 84.765 1.00 24.02 O ATOM 436 CB GLU E 77 22.499 -21.412 85.715 1.00 17.47 C ATOM 437 CG GLU E 77 22.395 -20.218 84.787 1.00 20.11 C ATOM 438 CD GLU E 77 20.999 -20.045 84.180 1.00 22.08 C ATOM 439 OE1 GLU E 77 20.795 -19.051 83.456 1.00 23.12 O ATOM 440 OE2 GLU E 77 20.101 -20.879 84.435 1.00 23.90 O ATOM 441 N GLY E 78 26.125 -21.134 86.264 1.00 15.88 N ATOM 442 CA GLY E 78 27.381 -21.287 85.554 1.00 11.30 C ATOM 443 C GLY E 78 27.602 -20.173 84.553 1.00 13.37 C ATOM 444 O GLY E 78 26.645 -19.598 84.030 1.00 11.13 O ATOM 445 N ASN E 79 28.869 -19.827 84.346 1.00 16.96 N ATOM 446 CA ASN E 79 29.288 -18.786 83.404 1.00 17.85 C ATOM 447 C ASN E 79 29.298 -17.354 83.899 1.00 18.28 C ATOM 448 O ASN E 79 29.841 -16.469 83.223 1.00 18.31 O ATOM 449 CB ASN E 79 28.517 -18.886 82.086 1.00 17.21 C ATOM 450 CG ASN E 79 28.923 -20.096 81.286 1.00 19.65 C ATOM 451 OD1 ASN E 79 30.102 -20.275 80.969 1.00 20.21 O ATOM 452 ND2 ASN E 79 27.967 -20.959 80.996 1.00 22.45 N ATOM 453 N GLU E 80 28.703 -17.114 85.062 1.00 16.29 N ATOM 454 CA GLU E 80 28.690 -15.768 85.627 1.00 15.51 C ATOM 455 C GLU E 80 30.057 -15.356 86.129 1.00 13.55 C ATOM 456 O GLU E 80 30.890 -16.184 86.496 1.00 16.25 O ATOM 457 CB GLU E 80 27.712 -15.653 86.795 1.00 12.89 C ATOM 458 CG GLU E 80 26.263 -15.766 86.402 1.00 14.09 C ATOM 459 CD GLU E 80 25.667 -17.083 86.808 1.00 14.67 C ATOM 460 OE1 GLU E 80 26.436 -18.035 87.083 1.00 16.45 O ATOM 461 OE2 GLU E 80 24.425 -17.161 86.868 1.00 13.55 O ATOM 462 N GLN E 81 30.287 -14.059 86.115 1.00 16.09 N ATOM 463 CA GLN E 81 31.517 -13.504 86.610 1.00 15.54 C ATOM 464 C GLN E 81 31.008 -12.267 87.312 1.00 18.64 C ATOM 465 O GLN E 81 30.265 -11.487 86.720 1.00 18.06 O ATOM 466 CB GLN E 81 32.449 -13.134 85.463 1.00 18.06 C ATOM 467 CG GLN E 81 32.940 -14.335 84.681 1.00 16.74 C ATOM 468 CD GLN E 81 34.020 -13.982 83.685 1.00 13.64 C ATOM 469 OE1 GLN E 81 34.974 -13.277 84.006 1.00 10.88 O ATOM 470 NE2 GLN E 81 33.890 -14.495 82.473 1.00 12.98 N ATOM 471 N PHE E 82 31.246 -12.196 88.617 1.00 17.80 N ATOM 472 CA PHE E 82 30.832 -11.056 89.417 1.00 12.28 C ATOM 473 C PHE E 82 32.090 -10.249 89.637 1.00 14.78 C ATOM 474 O PHE E 82 33.061 -10.759 90.199 1.00 12.34 O ATOM 475 CB PHE E 82 30.262 -11.511 90.764 1.00 11.42 C ATOM 476 CG PHE E 82 28.910 -12.163 90.665 1.00 8.10 C ATOM 477 CD1 PHE E 82 28.262 -12.278 89.441 1.00 7.50 C ATOM 478 CD2 PHE E 82 28.283 -12.659 91.797 1.00 9.15 C ATOM 479 CE1 PHE E 82 27.012 -12.876 89.346 1.00 7.41 C ATOM 480 CE2 PHE E 82 27.031 -13.261 91.706 1.00 8.91 C ATOM 481 CZ PHE E 82 26.399 -13.366 90.474 1.00 6.03 C ATOM 482 N ILE E 83 32.104 -9.027 89.116 1.00 12.91 N ATOM 483 CA ILE E 83 33.257 -8.156 89.265 1.00 12.37 C ATOM 484 C ILE E 83 32.746 -6.816 89.738 1.00 15.31 C ATOM 485 O ILE E 83 31.704 -6.355 89.284 1.00 16.07 O ATOM 486 CB ILE E 83 34.009 -7.959 87.936 1.00 8.25 C ATOM 487 CG1 ILE E 83 34.209 -9.311 87.250 1.00 6.07 C ATOM 488 CG2 ILE E 83 35.360 -7.300 88.201 1.00 7.98 C ATOM 489 CD1 ILE E 83 35.218 -9.316 86.162 1.00 6.70 C ATOM 490 N SER E 84 33.454 -6.203 90.677 1.00 18.84 N ATOM 491 CA SER E 84 33.039 -4.906 91.197 1.00 18.14 C ATOM 492 C SER E 84 33.610 -3.744 90.391 1.00 14.58 C ATOM 493 O SER E 84 34.724 -3.820 89.851 1.00 6.82 O ATOM 494 CB SER E 84 33.421 -4.762 92.680 1.00 22.95 C ATOM 495 OG SER E 84 32.684 -5.667 93.489 1.00 28.78 O ATOM 496 N ALA E 85 32.819 -2.680 90.294 1.00 11.87 N ATOM 497 CA ALA E 85 33.230 -1.487 89.580 1.00 17.97 C ATOM 498 C ALA E 85 34.355 -0.872 90.378 1.00 17.28 C ATOM 499 O ALA E 85 34.263 -0.754 91.599 1.00 24.02 O ATOM 500 CB ALA E 85 32.072 -0.509 89.473 1.00 14.65 C ATOM 501 N SER E 86 35.455 -0.581 89.704 1.00 17.60 N ATOM 502 CA SER E 86 36.590 0.034 90.353 1.00 15.37 C ATOM 503 C SER E 86 36.420 1.550 90.271 1.00 18.74 C ATOM 504 O SER E 86 37.052 2.280 91.027 1.00 24.33 O ATOM 505 CB SER E 86 37.887 -0.401 89.681 1.00 15.06 C ATOM 506 OG SER E 86 39.007 -0.061 90.478 1.00 28.16 O ATOM 507 N LYS E 87 35.558 2.009 89.361 1.00 18.94 N ATOM 508 CA LYS E 87 35.271 3.431 89.168 1.00 18.06 C ATOM 509 C LYS E 87 34.279 3.627 88.035 1.00 17.88 C ATOM 510 O LYS E 87 34.310 2.886 87.058 1.00 16.81 O ATOM 511 CB LYS E 87 36.545 4.215 88.854 1.00 20.96 C ATOM 512 CG LYS E 87 37.264 3.798 87.593 1.00 21.87 C ATOM 513 CD LYS E 87 38.566 4.558 87.457 1.00 21.50 C ATOM 514 CE LYS E 87 38.309 6.046 87.419 1.00 22.74 C ATOM 515 NZ LYS E 87 39.563 6.806 87.629 1.00 25.27 N ATOM 516 N SER E 88 33.390 4.605 88.183 1.00 16.64 N ATOM 517 CA SER E 88 32.393 4.904 87.163 1.00 17.40 C ATOM 518 C SER E 88 32.652 6.317 86.657 1.00 18.75 C ATOM 519 O SER E 88 32.457 7.283 87.388 1.00 22.63 O ATOM 520 CB SER E 88 30.977 4.812 87.737 1.00 18.73 C ATOM 521 OG SER E 88 30.691 3.511 88.220 1.00 23.41 O ATOM 522 N ILE E 89 33.124 6.426 85.420 1.00 19.15 N ATOM 523 CA ILE E 89 33.446 7.708 84.803 1.00 19.66 C ATOM 524 C ILE E 89 32.286 8.274 83.998 1.00 20.77 C ATOM 525 O ILE E 89 32.141 7.981 82.814 1.00 24.09 O ATOM 526 CB ILE E 89 34.695 7.577 83.894 1.00 18.23 C ATOM 527 CG1 ILE E 89 35.870 7.049 84.721 1.00 17.32 C ATOM 528 CG2 ILE E 89 35.029 8.919 83.235 1.00 16.80 C ATOM 529 CD1 ILE E 89 37.139 6.841 83.961 1.00 15.22 C ATOM 530 N VAL E 90 31.433 9.045 84.663 1.00 21.65 N ATOM 531 CA VAL E 90 30.285 9.669 84.014 1.00 14.73 C ATOM 532 C VAL E 90 30.794 10.779 83.099 1.00 15.51 C ATOM 533 O VAL E 90 31.826 11.405 83.379 1.00 15.53 O ATOM 534 CB VAL E 90 29.290 10.236 85.065 1.00 13.52 C ATOM 535 CG1 VAL E 90 28.291 11.205 84.420 1.00 9.13 C ATOM 536 CG2 VAL E 90 28.545 9.093 85.727 1.00 10.81 C ATOM 537 N HIS E 91 30.095 10.993 81.982 1.00 14.65 N ATOM 538 CA HIS E 91 30.498 12.019 81.041 1.00 12.67 C ATOM 539 C HIS E 91 30.414 13.379 81.708 1.00 10.51 C ATOM 540 O HIS E 91 29.342 13.810 82.131 1.00 9.57 O ATOM 541 CB HIS E 91 29.640 12.019 79.768 1.00 11.59 C ATOM 542 CG HIS E 91 30.225 12.849 78.666 1.00 10.74 C ATOM 543 ND1 HIS E 91 29.907 14.176 78.481 1.00 10.94 N ATOM 544 CD2 HIS E 91 31.185 12.563 77.754 1.00 12.34 C ATOM 545 CE1 HIS E 91 30.654 14.675 77.513 1.00 14.55 C ATOM 546 NE2 HIS E 91 31.438 13.716 77.054 1.00 11.06 N ATOM 547 N PRO E 92 31.531 14.108 81.727 1.00 11.13 N ATOM 548 CA PRO E 92 31.620 15.433 82.340 1.00 13.00 C ATOM 549 C PRO E 92 30.467 16.365 81.995 1.00 13.88 C ATOM 550 O PRO E 92 30.050 17.158 82.830 1.00 13.99 O ATOM 551 CB PRO E 92 32.942 15.954 81.800 1.00 13.08 C ATOM 552 CG PRO E 92 33.778 14.697 81.740 1.00 10.43 C ATOM 553 CD PRO E 92 32.823 13.721 81.123 1.00 6.62 C ATOM 554 N SER E 93 29.933 16.247 80.787 1.00 14.86 N ATOM 555 CA SER E 93 28.843 17.119 80.358 1.00 11.59 C ATOM 556 C SER E 93 27.449 16.535 80.457 1.00 9.31 C ATOM 557 O SER E 93 26.523 17.032 79.816 1.00 14.05 O ATOM 558 CB SER E 93 29.102 17.613 78.941 1.00 8.09 C ATOM 559 OG SER E 93 30.450 18.018 78.818 1.00 8.08 O ATOM 560 N TYR E 94 27.293 15.488 81.253 1.00 10.00 N ATOM 561 CA TYR E 94 25.992 14.861 81.416 1.00 11.99 C ATOM 562 C TYR E 94 25.075 15.868 82.090 1.00 13.23 C ATOM 563 O TYR E 94 25.520 16.631 82.950 1.00 18.60 O ATOM 564 CB TYR E 94 26.111 13.570 82.249 1.00 11.26 C ATOM 565 CG TYR E 94 24.794 13.001 82.735 1.00 10.29 C ATOM 566 CD1 TYR E 94 23.805 12.609 81.837 1.00 9.48 C ATOM 567 CD2 TYR E 94 24.517 12.898 84.104 1.00 14.01 C ATOM 568 CE1 TYR E 94 22.571 12.134 82.282 1.00 12.22 C ATOM 569 CE2 TYR E 94 23.279 12.421 84.560 1.00 11.04 C ATOM 570 CZ TYR E 94 22.313 12.045 83.639 1.00 14.02 C ATOM 571 OH TYR E 94 21.079 11.597 84.064 1.00 19.28 O ATOM 572 N ASN E 95 23.820 15.911 81.649 1.00 16.28 N ATOM 573 CA ASN E 95 22.822 16.818 82.206 1.00 14.87 C ATOM 574 C ASN E 95 21.598 15.998 82.568 1.00 17.08 C ATOM 575 O ASN E 95 20.901 15.497 81.690 1.00 14.07 O ATOM 576 CB ASN E 95 22.443 17.902 81.187 1.00 21.18 C ATOM 577 CG ASN E 95 21.381 18.863 81.712 1.00 17.15 C ATOM 578 OD1 ASN E 95 20.285 18.456 82.082 1.00 24.38 O ATOM 579 ND2 ASN E 95 21.696 20.142 81.719 1.00 20.19 N ATOM 580 N SER E 96 21.313 15.929 83.861 1.00 16.33 N ATOM 581 CA SER E 96 20.201 15.166 84.403 1.00 18.67 C ATOM 582 C SER E 96 18.821 15.574 83.918 1.00 19.15 C ATOM 583 O SER E 96 17.885 14.770 83.961 1.00 23.31 O ATOM 584 CB SER E 96 20.230 15.245 85.930 1.00 25.43 C ATOM 585 OG SER E 96 21.500 14.875 86.443 1.00 34.73 O ATOM 586 N ASN E 97 18.659 16.825 83.508 1.00 24.09 N ATOM 587 CA ASN E 97 17.348 17.276 83.041 1.00 26.78 C ATOM 588 C ASN E 97 17.041 16.885 81.609 1.00 22.87 C ATOM 589 O ASN E 97 15.982 16.328 81.325 1.00 24.67 O ATOM 590 CB ASN E 97 17.198 18.786 83.205 1.00 28.04 C ATOM 591 CG ASN E 97 16.918 19.185 84.636 1.00 34.56 C ATOM 592 OD1 ASN E 97 17.833 19.293 85.455 1.00 34.75 O ATOM 593 ND2 ASN E 97 15.643 19.396 84.953 1.00 37.26 N ATOM 594 N THR E 98 17.990 17.161 80.722 1.00 21.83 N ATOM 595 CA THR E 98 17.850 16.882 79.299 1.00 18.96 C ATOM 596 C THR E 98 18.278 15.465 78.941 1.00 19.85 C ATOM 597 O THR E 98 17.807 14.890 77.962 1.00 23.55 O ATOM 598 CB THR E 98 18.722 17.841 78.487 1.00 15.41 C ATOM 599 OG1 THR E 98 20.104 17.574 78.761 1.00 16.79 O ATOM 600 CG2 THR E 98 18.423 19.278 78.866 1.00 17.42 C ATOM 601 N LEU E 99 19.177 14.921 79.749 1.00 20.47 N ATOM 602 CA LEU E 99 19.747 13.599 79.554 1.00 17.51 C ATOM 603 C LEU E 99 20.698 13.616 78.370 1.00 17.79 C ATOM 604 O LEU E 99 20.957 12.591 77.733 1.00 21.64 O ATOM 605 CB LEU E 99 18.670 12.528 79.403 1.00 19.29 C ATOM 606 CG LEU E 99 18.048 12.091 80.730 1.00 21.32 C ATOM 607 CD1 LEU E 99 16.980 11.058 80.472 1.00 24.80 C ATOM 608 CD2 LEU E 99 19.116 11.511 81.644 1.00 20.22 C ATOM 609 N ASN E 100 21.209 14.801 78.061 1.00 14.71 N ATOM 610 CA ASN E 100 22.160 14.942 76.973 1.00 15.63 C ATOM 611 C ASN E 100 23.468 14.422 77.526 1.00 15.20 C ATOM 612 O ASN E 100 23.756 14.595 78.711 1.00 16.32 O ATOM 613 CB ASN E 100 22.300 16.402 76.540 1.00 16.30 C ATOM 614 CG ASN E 100 23.250 16.572 75.374 1.00 21.28 C ATOM 615 OD1 ASN E 100 24.047 17.510 75.352 1.00 22.97 O ATOM 616 ND2 ASN E 100 23.180 15.665 74.393 1.00 15.80 N ATOM 617 N ASN E 101 24.214 13.717 76.692 1.00 14.50 N ATOM 618 CA ASN E 101 25.485 13.131 77.093 1.00 15.13 C ATOM 619 C ASN E 101 25.305 12.003 78.099 1.00 14.69 C ATOM 620 O ASN E 101 26.166 11.787 78.959 1.00 14.59 O ATOM 621 CB ASN E 101 26.419 14.193 77.649 1.00 13.07 C ATOM 622 CG ASN E 101 26.969 15.073 76.578 1.00 14.69 C ATOM 623 OD1 ASN E 101 27.668 14.604 75.680 1.00 22.07 O ATOM 624 ND2 ASN E 101 26.674 16.357 76.655 1.00 13.15 N ATOM 625 N ASP E 102 24.200 11.265 77.955 1.00 10.08 N ATOM 626 CA ASP E 102 23.869 10.157 78.841 1.00 10.37 C ATOM 627 C ASP E 102 24.733 8.947 78.525 1.00 11.36 C ATOM 628 O ASP E 102 24.297 7.994 77.886 1.00 12.62 O ATOM 629 CB ASP E 102 22.386 9.801 78.713 1.00 10.88 C ATOM 630 CG ASP E 102 21.889 8.929 79.856 1.00 7.78 C ATOM 631 OD1 ASP E 102 22.668 8.663 80.790 1.00 9.91 O ATOM 632 OD2 ASP E 102 20.717 8.511 79.824 1.00 7.21 O ATOM 633 N ILE E 103 25.952 8.969 79.037 1.00 11.69 N ATOM 634 CA ILE E 103 26.884 7.895 78.791 1.00 14.46 C ATOM 635 C ILE E 103 27.897 7.827 79.935 1.00 12.55 C ATOM 636 O ILE E 103 28.407 8.851 80.389 1.00 17.19 O ATOM 637 CB ILE E 103 27.572 8.112 77.423 1.00 12.13 C ATOM 638 CG1 ILE E 103 28.614 7.026 77.162 1.00 14.76 C ATOM 639 CG2 ILE E 103 28.182 9.494 77.357 1.00 11.15 C ATOM 640 CD1 ILE E 103 29.217 7.067 75.773 1.00 13.97 C ATOM 641 N MET E 104 28.178 6.615 80.394 1.00 13.93 N ATOM 642 CA MET E 104 29.102 6.387 81.495 1.00 11.66 C ATOM 643 C MET E 104 30.001 5.187 81.215 1.00 12.45 C ATOM 644 O MET E 104 29.589 4.224 80.562 1.00 12.73 O ATOM 645 CB MET E 104 28.290 6.146 82.771 1.00 16.53 C ATOM 646 CG MET E 104 29.038 5.510 83.919 1.00 19.80 C ATOM 647 SD MET E 104 28.004 5.388 85.382 1.00 24.13 S ATOM 648 CE MET E 104 26.940 4.033 84.961 1.00 20.56 C ATOM 649 N LEU E 105 31.255 5.290 81.634 1.00 9.08 N ATOM 650 CA LEU E 105 32.200 4.202 81.477 1.00 12.38 C ATOM 651 C LEU E 105 32.421 3.625 82.868 1.00 11.76 C ATOM 652 O LEU E 105 32.483 4.370 83.837 1.00 16.66 O ATOM 653 CB LEU E 105 33.535 4.701 80.931 1.00 15.74 C ATOM 654 CG LEU E 105 33.589 5.253 79.511 1.00 16.48 C ATOM 655 CD1 LEU E 105 35.032 5.540 79.162 1.00 15.27 C ATOM 656 CD2 LEU E 105 32.985 4.251 78.533 1.00 13.05 C ATOM 657 N ILE E 106 32.513 2.308 82.974 1.00 9.15 N ATOM 658 CA ILE E 106 32.744 1.666 84.252 1.00 4.48 C ATOM 659 C ILE E 106 33.956 0.772 84.140 1.00 8.39 C ATOM 660 O ILE E 106 33.946 -0.180 83.370 1.00 11.06 O ATOM 661 CB ILE E 106 31.579 0.781 84.653 1.00 2.49 C ATOM 662 CG1 ILE E 106 30.315 1.606 84.798 1.00 3.26 C ATOM 663 CG2 ILE E 106 31.881 0.081 85.968 1.00 9.01 C ATOM 664 CD1 ILE E 106 29.099 0.752 84.941 1.00 3.28 C ATOM 665 N LYS E 107 35.007 1.104 84.880 1.00 9.52 N ATOM 666 CA LYS E 107 36.233 0.314 84.908 1.00 9.32 C ATOM 667 C LYS E 107 36.018 -0.866 85.870 1.00 12.79 C ATOM 668 O LYS E 107 35.508 -0.680 86.980 1.00 11.52 O ATOM 669 CB LYS E 107 37.384 1.179 85.417 1.00 11.75 C ATOM 670 CG LYS E 107 38.670 0.437 85.697 1.00 10.17 C ATOM 671 CD LYS E 107 39.536 0.382 84.489 1.00 11.54 C ATOM 672 CE LYS E 107 40.889 -0.204 84.822 1.00 17.94 C ATOM 673 NZ LYS E 107 41.573 0.509 85.941 1.00 23.03 N ATOM 674 N LEU E 108 36.394 -2.070 85.440 1.00 12.84 N ATOM 675 CA LEU E 108 36.253 -3.268 86.263 1.00 10.68 C ATOM 676 C LEU E 108 37.431 -3.386 87.210 1.00 13.44 C ATOM 677 O LEU E 108 38.563 -3.057 86.837 1.00 13.23 O ATOM 678 CB LEU E 108 36.205 -4.523 85.393 1.00 11.68 C ATOM 679 CG LEU E 108 35.001 -4.690 84.467 1.00 14.22 C ATOM 680 CD1 LEU E 108 35.039 -6.055 83.791 1.00 10.14 C ATOM 681 CD2 LEU E 108 33.731 -4.534 85.287 1.00 14.24 C ATOM 682 N LYS E 109 37.177 -3.902 88.413 1.00 13.48 N ATOM 683 CA LYS E 109 38.234 -4.068 89.403 1.00 16.93 C ATOM 684 C LYS E 109 39.321 -5.000 88.901 1.00 13.43 C ATOM 685 O LYS E 109 40.491 -4.826 89.215 1.00 14.24 O ATOM 686 CB LYS E 109 37.668 -4.584 90.724 1.00 21.07 C ATOM 687 CG LYS E 109 38.743 -4.977 91.727 1.00 25.63 C ATOM 688 CD LYS E 109 38.225 -4.932 93.160 1.00 31.73 C ATOM 689 CE LYS E 109 38.248 -3.506 93.717 1.00 36.72 C ATOM 690 NZ LYS E 109 37.447 -2.518 92.931 1.00 39.25 N ATOM 691 N SER E 110 38.908 -6.027 88.173 1.00 16.88 N ATOM 692 CA SER E 110 39.820 -6.999 87.597 1.00 16.52 C ATOM 693 C SER E 110 39.275 -7.308 86.206 1.00 19.06 C ATOM 694 O SER E 110 38.071 -7.178 85.971 1.00 18.09 O ATOM 695 CB SER E 110 39.866 -8.271 88.455 1.00 16.99 C ATOM 696 OG SER E 110 38.570 -8.811 88.671 1.00 18.62 O ATOM 697 N ALA E 111 40.148 -7.690 85.285 1.00 16.64 N ATOM 698 CA ALA E 111 39.702 -8.000 83.941 1.00 20.24 C ATOM 699 C ALA E 111 38.830 -9.247 83.946 1.00 22.12 C ATOM 700 O ALA E 111 39.059 -10.170 84.717 1.00 24.01 O ATOM 701 CB ALA E 111 40.892 -8.195 83.027 1.00 24.69 C ATOM 702 N ALA E 112 37.797 -9.244 83.117 1.00 22.56 N ATOM 703 CA ALA E 112 36.904 -10.382 83.009 1.00 21.71 C ATOM 704 C ALA E 112 37.548 -11.430 82.107 1.00 22.35 C ATOM 705 O ALA E 112 38.406 -11.112 81.284 1.00 16.83 O ATOM 706 CB ALA E 112 35.582 -9.940 82.424 1.00 26.94 C ATOM 707 N SER E 113 37.167 -12.688 82.288 1.00 23.51 N ATOM 708 CA SER E 113 37.708 -13.744 81.453 1.00 24.18 C ATOM 709 C SER E 113 36.805 -13.802 80.234 1.00 23.66 C ATOM 710 O SER E 113 35.595 -13.996 80.347 1.00 21.51 O ATOM 711 CB SER E 113 37.749 -15.083 82.196 1.00 24.54 C ATOM 712 OG SER E 113 36.498 -15.397 82.780 1.00 31.78 O ATOM 713 N LEU E 114 37.377 -13.513 79.076 1.00 25.87 N ATOM 714 CA LEU E 114 36.607 -13.527 77.846 1.00 27.45 C ATOM 715 C LEU E 114 36.612 -14.910 77.219 1.00 26.27 C ATOM 716 O LEU E 114 37.633 -15.597 77.186 1.00 26.44 O ATOM 717 CB LEU E 114 37.120 -12.468 76.875 1.00 24.89 C ATOM 718 CG LEU E 114 37.054 -11.057 77.457 1.00 23.92 C ATOM 719 CD1 LEU E 114 37.577 -10.049 76.454 1.00 26.80 C ATOM 720 CD2 LEU E 114 35.628 -10.736 77.858 1.00 25.14 C ATOM 721 N ASN E 115 35.439 -15.317 76.764 1.00 27.56 N ATOM 722 CA ASN E 115 35.229 -16.609 76.147 1.00 31.48 C ATOM 723 C ASN E 115 33.968 -16.511 75.290 1.00 33.40 C ATOM 724 O ASN E 115 33.436 -15.419 75.069 1.00 36.06 O ATOM 725 CB ASN E 115 35.063 -17.681 77.230 1.00 36.12 C ATOM 726 CG ASN E 115 34.030 -17.299 78.285 1.00 39.05 C ATOM 727 OD1 ASN E 115 32.838 -17.188 77.996 1.00 38.77 O ATOM 728 ND2 ASN E 115 34.488 -17.097 79.513 1.00 39.05 N ATOM 729 N SER E 116 33.481 -17.648 74.820 1.00 32.05 N ATOM 730 CA SER E 116 32.289 -17.665 73.991 1.00 31.84 C ATOM 731 C SER E 116 31.070 -17.090 74.705 1.00 31.78 C ATOM 732 O SER E 116 30.197 -16.513 74.065 1.00 33.06 O ATOM 733 CB SER E 116 32.015 -19.089 73.497 1.00 33.01 C ATOM 734 OG SER E 116 32.285 -20.057 74.502 1.00 35.29 O ATOM 735 N ARG E 117 31.031 -17.227 76.030 1.00 31.33 N ATOM 736 CA ARG E 117 29.917 -16.735 76.850 1.00 27.79 C ATOM 737 C ARG E 117 30.056 -15.288 77.320 1.00 22.55 C ATOM 738 O ARG E 117 29.063 -14.650 77.680 1.00 17.52 O ATOM 739 CB ARG E 117 29.718 -17.647 78.066 1.00 32.69 C ATOM 740 CG ARG E 117 28.702 -18.760 77.868 1.00 41.09 C ATOM 741 CD ARG E 117 28.938 -19.556 76.584 1.00 45.35 C ATOM 742 NE ARG E 117 30.215 -20.266 76.599 1.00 49.58 N ATOM 743 CZ ARG E 117 30.443 -21.389 77.274 1.00 51.45 C ATOM 744 NH1 ARG E 117 29.472 -21.941 78.000 1.00 48.89 N ATOM 745 NH2 ARG E 117 31.640 -21.963 77.215 1.00 51.65 N ATOM 746 N VAL E 118 31.283 -14.785 77.356 1.00 16.75 N ATOM 747 CA VAL E 118 31.539 -13.420 77.795 1.00 20.86 C ATOM 748 C VAL E 118 32.476 -12.770 76.775 1.00 21.43 C ATOM 749 O VAL E 118 33.672 -13.066 76.732 1.00 22.57 O ATOM 750 CB VAL E 118 32.184 -13.397 79.220 1.00 21.21 C ATOM 751 CG1 VAL E 118 32.548 -11.964 79.636 1.00 20.29 C ATOM 752 CG2 VAL E 118 31.225 -14.002 80.238 1.00 23.73 C ATOM 753 N ALA E 119 31.924 -11.893 75.947 1.00 22.13 N ATOM 754 CA ALA E 119 32.711 -11.226 74.918 1.00 19.83 C ATOM 755 C ALA E 119 32.380 -9.747 74.818 1.00 18.24 C ATOM 756 O ALA E 119 31.262 -9.325 75.140 1.00 19.46 O ATOM 757 CB ALA E 119 32.476 -11.899 73.581 1.00 19.65 C ATOM 758 N SER E 120 33.360 -8.959 74.391 1.00 16.21 N ATOM 759 CA SER E 120 33.161 -7.530 74.226 1.00 13.96 C ATOM 760 C SER E 120 32.494 -7.257 72.895 1.00 16.37 C ATOM 761 O SER E 120 32.536 -8.091 71.996 1.00 19.09 O ATOM 762 CB SER E 120 34.493 -6.787 74.288 1.00 13.92 C ATOM 763 OG SER E 120 35.528 -7.505 73.649 1.00 17.51 O ATOM 764 N ILE E 121 31.899 -6.077 72.771 1.00 19.74 N ATOM 765 CA ILE E 121 31.219 -5.659 71.553 1.00 16.72 C ATOM 766 C ILE E 121 32.069 -4.540 70.954 1.00 21.76 C ATOM 767 O ILE E 121 32.790 -3.858 71.684 1.00 26.95 O ATOM 768 CB ILE E 121 29.780 -5.181 71.874 1.00 14.54 C ATOM 769 CG1 ILE E 121 28.998 -4.910 70.592 1.00 14.75 C ATOM 770 CG2 ILE E 121 29.809 -3.973 72.792 1.00 11.82 C ATOM 771 CD1 ILE E 121 28.798 -6.137 69.736 1.00 17.72 C ATOM 772 N SER E 122 32.041 -4.396 69.631 1.00 23.04 N ATOM 773 CA SER E 122 32.838 -3.372 68.953 1.00 23.84 C ATOM 774 C SER E 122 32.233 -1.977 68.918 1.00 20.59 C ATOM 775 O SER E 122 31.019 -1.806 68.766 1.00 18.93 O ATOM 776 CB SER E 122 33.154 -3.797 67.512 1.00 26.72 C ATOM 777 OG SER E 122 34.023 -4.916 67.468 1.00 31.56 O ATOM 778 N LEU E 123 33.090 -0.984 69.099 1.00 18.20 N ATOM 779 CA LEU E 123 32.675 0.408 69.024 1.00 21.57 C ATOM 780 C LEU E 123 32.567 0.688 67.522 1.00 24.19 C ATOM 781 O LEU E 123 33.408 0.242 66.734 1.00 25.81 O ATOM 782 CB LEU E 123 33.730 1.310 69.676 1.00 20.91 C ATOM 783 CG LEU E 123 33.586 1.679 71.165 1.00 21.69 C ATOM 784 CD1 LEU E 123 32.946 0.568 71.961 1.00 20.12 C ATOM 785 CD2 LEU E 123 34.952 2.041 71.738 1.00 23.19 C ATOM 786 N PRO E 124 31.499 1.379 67.095 1.00 22.00 N ATOM 787 CA PRO E 124 31.306 1.691 65.679 1.00 23.77 C ATOM 788 C PRO E 124 32.361 2.637 65.131 1.00 24.29 C ATOM 789 O PRO E 124 33.017 3.366 65.886 1.00 23.14 O ATOM 790 CB PRO E 124 29.925 2.338 65.666 1.00 23.95 C ATOM 791 CG PRO E 124 29.891 3.053 66.990 1.00 20.59 C ATOM 792 CD PRO E 124 30.446 1.996 67.917 1.00 21.42 C ATOM 793 N THR E 125 32.532 2.616 63.819 1.00 25.82 N ATOM 794 CA THR E 125 33.497 3.492 63.168 1.00 27.05 C ATOM 795 C THR E 125 32.771 4.716 62.623 1.00 24.32 C ATOM 796 O THR E 125 33.324 5.812 62.543 1.00 26.17 O ATOM 797 CB THR E 125 34.228 2.761 62.034 1.00 27.77 C ATOM 798 OG1 THR E 125 33.352 1.785 61.445 1.00 27.75 O ATOM 799 CG2 THR E 125 35.471 2.077 62.575 1.00 26.37 C ATOM 800 N SER E 127 31.500 4.526 62.310 1.00 22.36 N ATOM 801 CA SER E 127 30.665 5.586 61.783 1.00 21.11 C ATOM 802 C SER E 127 29.270 5.370 62.348 1.00 18.82 C ATOM 803 O SER E 127 28.967 4.297 62.887 1.00 24.56 O ATOM 804 CB SER E 127 30.628 5.500 60.253 1.00 24.12 C ATOM 805 OG SER E 127 30.165 4.229 59.824 1.00 25.27 O ATOM 806 N CYS E 128 28.417 6.373 62.205 1.00 15.38 N ATOM 807 CA CYS E 128 27.052 6.286 62.700 1.00 18.52 C ATOM 808 C CYS E 128 26.197 5.463 61.758 1.00 20.30 C ATOM 809 O CYS E 128 26.490 5.363 60.561 1.00 21.41 O ATOM 810 CB CYS E 128 26.470 7.681 62.842 1.00 18.57 C ATOM 811 SG CYS E 128 27.571 8.778 63.770 1.00 22.03 S ATOM 812 N ALA E 129 25.141 4.879 62.308 1.00 19.98 N ATOM 813 CA ALA E 129 24.238 4.045 61.542 1.00 20.42 C ATOM 814 C ALA E 129 23.210 4.920 60.854 1.00 24.20 C ATOM 815 O ALA E 129 23.015 6.070 61.243 1.00 26.90 O ATOM 816 CB ALA E 129 23.557 3.057 62.449 1.00 21.97 C ATOM 817 N SER E 130 22.540 4.360 59.850 1.00 25.00 N ATOM 818 CA SER E 130 21.527 5.073 59.077 1.00 24.11 C ATOM 819 C SER E 130 20.119 4.700 59.524 1.00 20.61 C ATOM 820 O SER E 130 19.897 3.630 60.108 1.00 19.33 O ATOM 821 CB SER E 130 21.659 4.722 57.585 1.00 27.37 C ATOM 822 OG SER E 130 23.008 4.767 57.147 1.00 34.14 O ATOM 823 N ALA E 132 19.164 5.580 59.245 1.00 14.53 N ATOM 824 CA ALA E 132 17.778 5.298 59.578 1.00 16.97 C ATOM 825 C ALA E 132 17.461 3.997 58.839 1.00 18.46 C ATOM 826 O ALA E 132 18.004 3.756 57.758 1.00 23.02 O ATOM 827 CB ALA E 132 16.876 6.424 59.087 1.00 12.84 C ATOM 828 N GLY E 133 16.648 3.136 59.444 1.00 19.29 N ATOM 829 CA GLY E 133 16.301 1.874 58.817 1.00 17.07 C ATOM 830 C GLY E 133 17.157 0.686 59.224 1.00 17.23 C ATOM 831 O GLY E 133 16.736 -0.463 59.060 1.00 21.11 O ATOM 832 N THR E 134 18.361 0.945 59.724 1.00 16.10 N ATOM 833 CA THR E 134 19.247 -0.127 60.163 1.00 15.01 C ATOM 834 C THR E 134 18.581 -0.914 61.281 1.00 21.31 C ATOM 835 O THR E 134 18.097 -0.333 62.261 1.00 20.94 O ATOM 836 CB THR E 134 20.555 0.418 60.720 1.00 15.94 C ATOM 837 OG1 THR E 134 21.148 1.311 59.770 1.00 22.26 O ATOM 838 CG2 THR E 134 21.511 -0.718 60.995 1.00 17.17 C ATOM 839 N GLN E 135 18.523 -2.230 61.107 1.00 25.35 N ATOM 840 CA GLN E 135 17.927 -3.117 62.096 1.00 23.79 C ATOM 841 C GLN E 135 18.975 -3.324 63.166 1.00 25.04 C ATOM 842 O GLN E 135 20.139 -3.592 62.855 1.00 22.70 O ATOM 843 CB GLN E 135 17.574 -4.459 61.462 1.00 28.31 C ATOM 844 CG GLN E 135 16.329 -5.101 62.038 1.00 32.03 C ATOM 845 CD GLN E 135 15.093 -4.244 61.834 1.00 36.28 C ATOM 846 OE1 GLN E 135 14.217 -4.185 62.698 1.00 41.12 O ATOM 847 NE2 GLN E 135 15.017 -3.570 60.693 1.00 37.01 N ATOM 848 N CYS E 136 18.571 -3.176 64.423 1.00 26.02 N ATOM 849 CA CYS E 136 19.480 -3.331 65.552 1.00 18.70 C ATOM 850 C CYS E 136 18.856 -4.280 66.561 1.00 16.21 C ATOM 851 O CYS E 136 17.661 -4.567 66.484 1.00 14.48 O ATOM 852 CB CYS E 136 19.740 -1.967 66.207 1.00 17.33 C ATOM 853 SG CYS E 136 20.364 -0.668 65.084 1.00 17.32 S ATOM 854 N LEU E 137 19.682 -4.798 67.467 1.00 14.34 N ATOM 855 CA LEU E 137 19.234 -5.711 68.519 1.00 15.52 C ATOM 856 C LEU E 137 19.406 -5.016 69.866 1.00 17.80 C ATOM 857 O LEU E 137 20.507 -4.580 70.229 1.00 9.54 O ATOM 858 CB LEU E 137 20.055 -7.012 68.516 1.00 16.39 C ATOM 859 CG LEU E 137 19.834 -8.008 69.664 1.00 14.69 C ATOM 860 CD1 LEU E 137 18.459 -8.626 69.571 1.00 18.44 C ATOM 861 CD2 LEU E 137 20.895 -9.089 69.643 1.00 15.55 C ATOM 862 N ILE E 138 18.297 -4.870 70.574 1.00 18.46 N ATOM 863 CA ILE E 138 18.280 -4.246 71.885 1.00 17.73 C ATOM 864 C ILE E 138 17.954 -5.370 72.863 1.00 17.98 C ATOM 865 O ILE E 138 17.062 -6.188 72.605 1.00 18.78 O ATOM 866 CB ILE E 138 17.220 -3.150 71.926 1.00 15.28 C ATOM 867 CG1 ILE E 138 17.465 -2.177 70.769 1.00 10.59 C ATOM 868 CG2 ILE E 138 17.287 -2.412 73.248 1.00 20.73 C ATOM 869 CD1 ILE E 138 16.309 -1.282 70.451 1.00 5.06 C ATOM 870 N SER E 139 18.699 -5.440 73.959 1.00 17.04 N ATOM 871 CA SER E 139 18.500 -6.494 74.940 1.00 13.16 C ATOM 872 C SER E 139 18.494 -5.978 76.376 1.00 18.04 C ATOM 873 O SER E 139 18.980 -4.881 76.641 1.00 18.46 O ATOM 874 CB SER E 139 19.599 -7.537 74.771 1.00 8.28 C ATOM 875 OG SER E 139 20.875 -6.927 74.737 1.00 2.63 O ATOM 876 N GLY E 140 17.936 -6.767 77.296 1.00 21.39 N ATOM 877 CA GLY E 140 17.903 -6.357 78.692 1.00 21.92 C ATOM 878 C GLY E 140 16.925 -7.072 79.611 1.00 21.52 C ATOM 879 O GLY E 140 15.989 -7.750 79.166 1.00 18.86 O ATOM 880 N TRP E 141 17.125 -6.880 80.913 1.00 21.71 N ATOM 881 CA TRP E 141 16.280 -7.482 81.944 1.00 16.51 C ATOM 882 C TRP E 141 15.254 -6.486 82.460 1.00 16.00 C ATOM 883 O TRP E 141 14.738 -6.630 83.572 1.00 14.74 O ATOM 884 CB TRP E 141 17.135 -7.949 83.115 1.00 11.25 C ATOM 885 CG TRP E 141 18.027 -9.083 82.783 1.00 11.09 C ATOM 886 CD1 TRP E 141 17.713 -10.415 82.833 1.00 5.22 C ATOM 887 CD2 TRP E 141 19.397 -9.005 82.393 1.00 7.29 C ATOM 888 NE1 TRP E 141 18.807 -11.162 82.504 1.00 6.48 N ATOM 889 CE2 TRP E 141 19.857 -10.326 82.228 1.00 7.29 C ATOM 890 CE3 TRP E 141 20.283 -7.947 82.174 1.00 6.73 C ATOM 891 CZ2 TRP E 141 21.170 -10.619 81.851 1.00 8.39 C ATOM 892 CZ3 TRP E 141 21.579 -8.232 81.804 1.00 8.56 C ATOM 893 CH2 TRP E 141 22.016 -9.561 81.646 1.00 14.00 C ATOM 894 N GLY E 142 14.978 -5.472 81.653 1.00 15.56 N ATOM 895 CA GLY E 142 14.030 -4.452 82.039 1.00 6.24 C ATOM 896 C GLY E 142 12.605 -4.935 81.988 1.00 11.41 C ATOM 897 O GLY E 142 12.319 -6.029 81.501 1.00 12.34 O ATOM 898 N ASN E 143 11.705 -4.082 82.462 1.00 13.63 N ATOM 899 CA ASN E 143 10.277 -4.351 82.506 1.00 16.53 C ATOM 900 C ASN E 143 9.770 -4.884 81.159 1.00 16.19 C ATOM 901 O ASN E 143 10.129 -4.348 80.105 1.00 23.16 O ATOM 902 CB ASN E 143 9.560 -3.056 82.892 1.00 17.03 C ATOM 903 CG ASN E 143 8.087 -3.246 83.117 1.00 16.73 C ATOM 904 OD1 ASN E 143 7.571 -4.358 83.060 1.00 21.66 O ATOM 905 ND2 ASN E 143 7.395 -2.159 83.376 1.00 20.16 N ATOM 906 N THR E 144 8.986 -5.961 81.196 1.00 17.74 N ATOM 907 CA THR E 144 8.446 -6.582 79.986 1.00 19.55 C ATOM 908 C THR E 144 7.025 -6.136 79.705 1.00 21.10 C ATOM 909 O THR E 144 6.421 -6.565 78.719 1.00 22.55 O ATOM 910 CB THR E 144 8.461 -8.144 80.050 1.00 18.46 C ATOM 911 OG1 THR E 144 7.665 -8.592 81.151 1.00 19.54 O ATOM 912 CG2 THR E 144 9.869 -8.673 80.216 1.00 17.24 C ATOM 913 N LYS E 145 6.490 -5.281 80.569 1.00 24.45 N ATOM 914 CA LYS E 145 5.136 -4.781 80.398 1.00 29.99 C ATOM 915 C LYS E 145 5.090 -3.262 80.400 1.00 34.99 C ATOM 916 O LYS E 145 5.705 -2.613 81.247 1.00 37.59 O ATOM 917 CB LYS E 145 4.208 -5.348 81.474 1.00 31.87 C ATOM 918 CG LYS E 145 3.805 -6.800 81.235 1.00 36.34 C ATOM 919 CD LYS E 145 3.093 -6.944 79.889 1.00 38.87 C ATOM 920 CE LYS E 145 2.816 -8.395 79.517 1.00 38.52 C ATOM 921 NZ LYS E 145 2.313 -8.481 78.108 1.00 34.22 N ATOM 922 N SER E 146 4.386 -2.703 79.419 1.00 36.35 N ATOM 923 CA SER E 146 4.244 -1.258 79.288 1.00 39.25 C ATOM 924 C SER E 146 3.371 -0.691 80.406 1.00 40.76 C ATOM 925 O SER E 146 3.726 0.306 81.039 1.00 45.49 O ATOM 926 CB SER E 146 3.629 -0.921 77.932 1.00 37.22 C ATOM 927 OG SER E 146 2.492 -1.733 77.685 1.00 39.32 O ATOM 928 N SER E 147 2.228 -1.329 80.636 1.00 39.27 N ATOM 929 CA SER E 147 1.297 -0.904 81.673 1.00 41.50 C ATOM 930 C SER E 147 1.426 -1.797 82.912 1.00 41.70 C ATOM 931 O SER E 147 0.671 -2.755 83.091 1.00 41.92 O ATOM 932 CB SER E 147 -0.132 -0.942 81.123 1.00 41.63 C ATOM 933 OG SER E 147 -0.190 -0.307 79.853 1.00 43.24 O ATOM 934 N GLY E 148 2.398 -1.477 83.757 1.00 41.66 N ATOM 935 CA GLY E 148 2.633 -2.248 84.962 1.00 39.76 C ATOM 936 C GLY E 148 4.109 -2.568 85.018 1.00 38.90 C ATOM 937 O GLY E 148 4.871 -2.024 84.221 1.00 39.18 O ATOM 938 N THR E 149 4.519 -3.437 85.939 1.00 37.80 N ATOM 939 CA THR E 149 5.925 -3.815 86.068 1.00 39.30 C ATOM 940 C THR E 149 6.100 -5.319 86.271 1.00 38.75 C ATOM 941 O THR E 149 5.821 -5.848 87.351 1.00 38.91 O ATOM 942 CB THR E 149 6.618 -3.084 87.236 1.00 40.08 C ATOM 943 OG1 THR E 149 5.890 -3.317 88.448 1.00 44.85 O ATOM 944 CG2 THR E 149 6.699 -1.592 86.969 1.00 38.04 C ATOM 945 N SER E 150 6.562 -5.996 85.222 1.00 37.21 N ATOM 946 CA SER E 150 6.799 -7.433 85.253 1.00 31.00 C ATOM 947 C SER E 150 8.232 -7.609 84.783 1.00 26.67 C ATOM 948 O SER E 150 8.562 -7.249 83.660 1.00 29.59 O ATOM 949 CB SER E 150 5.843 -8.124 84.298 1.00 31.88 C ATOM 950 OG SER E 150 4.529 -7.620 84.481 1.00 39.06 O ATOM 951 N TYR E 151 9.101 -8.082 85.664 1.00 21.77 N ATOM 952 CA TYR E 151 10.499 -8.248 85.311 1.00 18.86 C ATOM 953 C TYR E 151 10.802 -9.689 85.039 1.00 21.41 C ATOM 954 O TYR E 151 10.249 -10.581 85.675 1.00 25.08 O ATOM 955 CB TYR E 151 11.396 -7.710 86.420 1.00 21.95 C ATOM 956 CG TYR E 151 11.086 -6.272 86.766 1.00 29.93 C ATOM 957 CD1 TYR E 151 11.864 -5.229 86.257 1.00 30.89 C ATOM 958 CD2 TYR E 151 9.972 -5.946 87.545 1.00 31.32 C ATOM 959 CE1 TYR E 151 11.536 -3.897 86.508 1.00 33.02 C ATOM 960 CE2 TYR E 151 9.637 -4.620 87.801 1.00 35.66 C ATOM 961 CZ TYR E 151 10.423 -3.603 87.275 1.00 33.68 C ATOM 962 OH TYR E 151 10.075 -2.293 87.486 1.00 36.05 O ATOM 963 N PRO E 152 11.626 -9.942 84.023 1.00 20.88 N ATOM 964 CA PRO E 152 12.015 -11.293 83.638 1.00 18.26 C ATOM 965 C PRO E 152 13.266 -11.747 84.379 1.00 18.11 C ATOM 966 O PRO E 152 14.062 -10.923 84.838 1.00 19.79 O ATOM 967 CB PRO E 152 12.303 -11.132 82.152 1.00 23.39 C ATOM 968 CG PRO E 152 12.953 -9.774 82.110 1.00 22.99 C ATOM 969 CD PRO E 152 12.051 -8.960 83.009 1.00 22.87 C ATOM 970 N ASP E 153 13.431 -13.058 84.501 1.00 12.04 N ATOM 971 CA ASP E 153 14.609 -13.605 85.146 1.00 11.49 C ATOM 972 C ASP E 153 15.678 -13.689 84.066 1.00 11.77 C ATOM 973 O ASP E 153 16.867 -13.485 84.330 1.00 13.62 O ATOM 974 CB ASP E 153 14.325 -15.004 85.691 1.00 18.58 C ATOM 975 CG ASP E 153 13.243 -15.020 86.754 1.00 19.18 C ATOM 976 OD1 ASP E 153 12.438 -14.070 86.836 1.00 24.12 O ATOM 977 OD2 ASP E 153 13.190 -16.002 87.512 1.00 25.26 O ATOM 978 N VAL E 154 15.259 -14.037 82.852 1.00 11.29 N ATOM 979 CA VAL E 154 16.198 -14.145 81.751 1.00 15.26 C ATOM 980 C VAL E 154 16.228 -12.913 80.846 1.00 14.13 C ATOM 981 O VAL E 154 15.304 -12.096 80.826 1.00 9.21 O ATOM 982 CB VAL E 154 15.964 -15.414 80.909 1.00 17.74 C ATOM 983 CG1 VAL E 154 16.129 -16.648 81.784 1.00 18.13 C ATOM 984 CG2 VAL E 154 14.588 -15.375 80.244 1.00 14.99 C ATOM 985 N LEU E 155 17.321 -12.803 80.107 1.00 16.45 N ATOM 986 CA LEU E 155 17.565 -11.706 79.190 1.00 15.58 C ATOM 987 C LEU E 155 16.611 -11.718 77.996 1.00 18.31 C ATOM 988 O LEU E 155 16.433 -12.753 77.347 1.00 18.96 O ATOM 989 CB LEU E 155 19.003 -11.812 78.708 1.00 13.46 C ATOM 990 CG LEU E 155 19.504 -10.709 77.801 1.00 13.90 C ATOM 991 CD1 LEU E 155 19.425 -9.407 78.552 1.00 16.71 C ATOM 992 CD2 LEU E 155 20.931 -11.009 77.370 1.00 17.20 C ATOM 993 N LYS E 156 15.993 -10.573 77.722 1.00 19.30 N ATOM 994 CA LYS E 156 15.068 -10.432 76.599 1.00 16.95 C ATOM 995 C LYS E 156 15.759 -9.672 75.480 1.00 17.67 C ATOM 996 O LYS E 156 16.600 -8.810 75.752 1.00 19.02 O ATOM 997 CB LYS E 156 13.814 -9.669 77.022 1.00 16.47 C ATOM 998 CG LYS E 156 12.991 -10.368 78.068 1.00 16.37 C ATOM 999 CD LYS E 156 12.342 -11.613 77.511 1.00 17.85 C ATOM 1000 CE LYS E 156 11.850 -12.501 78.638 1.00 21.19 C ATOM 1001 NZ LYS E 156 10.862 -13.510 78.189 1.00 22.81 N ATOM 1002 N CYS E 157 15.381 -9.974 74.238 1.00 16.03 N ATOM 1003 CA CYS E 157 15.942 -9.343 73.039 1.00 13.11 C ATOM 1004 C CYS E 157 14.842 -8.766 72.184 1.00 12.95 C ATOM 1005 O CYS E 157 13.733 -9.286 72.178 1.00 15.01 O ATOM 1006 CB CYS E 157 16.707 -10.357 72.202 1.00 12.50 C ATOM 1007 SG CYS E 157 18.400 -10.615 72.779 1.00 18.52 S ATOM 1008 N LEU E 158 15.163 -7.705 71.452 1.00 18.62 N ATOM 1009 CA LEU E 158 14.218 -7.038 70.562 1.00 19.83 C ATOM 1010 C LEU E 158 14.962 -6.509 69.335 1.00 20.21 C ATOM 1011 O LEU E 158 16.087 -6.020 69.437 1.00 17.93 O ATOM 1012 CB LEU E 158 13.528 -5.877 71.284 1.00 20.04 C ATOM 1013 CG LEU E 158 12.512 -5.045 70.494 1.00 22.60 C ATOM 1014 CD1 LEU E 158 11.309 -5.885 70.102 1.00 20.55 C ATOM 1015 CD2 LEU E 158 12.081 -3.832 71.305 1.00 20.80 C ATOM 1016 N LYS E 159 14.355 -6.675 68.169 1.00 21.80 N ATOM 1017 CA LYS E 159 14.948 -6.194 66.929 1.00 21.64 C ATOM 1018 C LYS E 159 14.215 -4.911 66.607 1.00 14.65 C ATOM 1019 O LYS E 159 12.996 -4.912 66.502 1.00 17.00 O ATOM 1020 CB LYS E 159 14.705 -7.200 65.806 1.00 25.79 C ATOM 1021 CG LYS E 159 15.932 -7.538 64.967 1.00 31.35 C ATOM 1022 CD LYS E 159 16.851 -8.490 65.704 1.00 31.05 C ATOM 1023 CE LYS E 159 16.045 -9.592 66.383 1.00 35.13 C ATOM 1024 NZ LYS E 159 15.066 -10.287 65.497 1.00 35.17 N ATOM 1025 N ALA E 160 14.934 -3.811 66.484 1.00 15.06 N ATOM 1026 CA ALA E 160 14.280 -2.546 66.182 1.00 13.60 C ATOM 1027 C ALA E 160 15.156 -1.689 65.307 1.00 10.99 C ATOM 1028 O ALA E 160 16.377 -1.702 65.447 1.00 18.23 O ATOM 1029 CB ALA E 160 13.937 -1.810 67.465 1.00 8.96 C ATOM 1030 N PRO E 161 14.548 -0.963 64.359 1.00 11.65 N ATOM 1031 CA PRO E 161 15.266 -0.083 63.435 1.00 10.16 C ATOM 1032 C PRO E 161 15.492 1.323 63.958 1.00 10.72 C ATOM 1033 O PRO E 161 14.676 1.862 64.721 1.00 8.92 O ATOM 1034 CB PRO E 161 14.324 -0.027 62.251 1.00 7.01 C ATOM 1035 CG PRO E 161 12.994 -0.011 62.915 1.00 6.38 C ATOM 1036 CD PRO E 161 13.147 -1.115 63.929 1.00 8.98 C ATOM 1037 N ILE E 162 16.599 1.919 63.530 1.00 11.60 N ATOM 1038 CA ILE E 162 16.909 3.290 63.895 1.00 17.40 C ATOM 1039 C ILE E 162 15.965 4.160 63.070 1.00 18.37 C ATOM 1040 O ILE E 162 15.790 3.937 61.880 1.00 14.15 O ATOM 1041 CB ILE E 162 18.364 3.646 63.576 1.00 17.48 C ATOM 1042 CG1 ILE E 162 19.293 2.715 64.372 1.00 20.48 C ATOM 1043 CG2 ILE E 162 18.612 5.129 63.874 1.00 11.28 C ATOM 1044 CD1 ILE E 162 20.771 2.955 64.169 1.00 19.87 C ATOM 1045 N LEU E 163 15.281 5.078 63.733 1.00 18.24 N ATOM 1046 CA LEU E 163 14.341 5.941 63.057 1.00 14.92 C ATOM 1047 C LEU E 163 15.031 7.124 62.437 1.00 18.98 C ATOM 1048 O LEU E 163 16.189 7.413 62.754 1.00 21.84 O ATOM 1049 CB LEU E 163 13.260 6.408 64.022 1.00 11.23 C ATOM 1050 CG LEU E 163 12.011 5.536 64.070 1.00 11.51 C ATOM 1051 CD1 LEU E 163 12.357 4.070 64.133 1.00 13.17 C ATOM 1052 CD2 LEU E 163 11.176 5.942 65.245 1.00 13.11 C ATOM 1053 N SER E 164 14.321 7.778 61.521 1.00 18.95 N ATOM 1054 CA SER E 164 14.828 8.959 60.830 1.00 18.20 C ATOM 1055 C SER E 164 14.747 10.135 61.792 1.00 15.40 C ATOM 1056 O SER E 164 13.726 10.341 62.452 1.00 20.14 O ATOM 1057 CB SER E 164 13.988 9.244 59.577 1.00 16.62 C ATOM 1058 OG SER E 164 12.612 9.391 59.902 1.00 18.42 O ATOM 1059 N ASP E 165 15.794 10.940 61.835 1.00 17.84 N ATOM 1060 CA ASP E 165 15.802 12.068 62.745 1.00 24.75 C ATOM 1061 C ASP E 165 14.562 12.945 62.719 1.00 24.49 C ATOM 1062 O ASP E 165 14.184 13.488 63.757 1.00 20.44 O ATOM 1063 CB ASP E 165 17.078 12.883 62.577 1.00 29.36 C ATOM 1064 CG ASP E 165 18.300 12.114 63.040 1.00 37.58 C ATOM 1065 OD1 ASP E 165 19.191 11.842 62.204 1.00 42.20 O ATOM 1066 OD2 ASP E 165 18.350 11.745 64.240 1.00 41.65 O ATOM 1067 N SER E 166 13.895 13.046 61.567 1.00 23.72 N ATOM 1068 CA SER E 166 12.689 13.868 61.485 1.00 22.68 C ATOM 1069 C SER E 166 11.569 13.233 62.292 1.00 22.97 C ATOM 1070 O SER E 166 10.911 13.909 63.087 1.00 25.05 O ATOM 1071 CB SER E 166 12.253 14.142 60.032 1.00 18.87 C ATOM 1072 OG SER E 166 12.159 12.966 59.256 1.00 23.42 O ATOM 1073 N SER E 167 11.397 11.924 62.146 1.00 22.86 N ATOM 1074 CA SER E 167 10.354 11.242 62.894 1.00 21.39 C ATOM 1075 C SER E 167 10.662 11.244 64.394 1.00 18.69 C ATOM 1076 O SER E 167 9.754 11.305 65.220 1.00 16.42 O ATOM 1077 CB SER E 167 10.161 9.820 62.378 1.00 20.75 C ATOM 1078 OG SER E 167 9.693 9.836 61.037 1.00 24.58 O ATOM 1079 N CYS E 168 11.949 11.226 64.731 1.00 14.28 N ATOM 1080 CA CYS E 168 12.396 11.226 66.117 1.00 12.69 C ATOM 1081 C CYS E 168 12.066 12.571 66.748 1.00 15.51 C ATOM 1082 O CYS E 168 11.264 12.644 67.681 1.00 9.73 O ATOM 1083 CB CYS E 168 13.904 10.972 66.184 1.00 15.31 C ATOM 1084 SG CYS E 168 14.598 10.719 67.853 1.00 19.90 S ATOM 1085 N LYS E 169 12.633 13.635 66.185 1.00 14.98 N ATOM 1086 CA LYS E 169 12.415 14.988 66.684 1.00 19.07 C ATOM 1087 C LYS E 169 10.973 15.453 66.586 1.00 17.82 C ATOM 1088 O LYS E 169 10.579 16.390 67.280 1.00 21.91 O ATOM 1089 CB LYS E 169 13.336 15.989 65.992 1.00 17.93 C ATOM 1090 CG LYS E 169 14.804 15.757 66.275 1.00 21.88 C ATOM 1091 CD LYS E 169 15.638 16.913 65.754 1.00 29.24 C ATOM 1092 CE LYS E 169 17.127 16.592 65.771 1.00 34.07 C ATOM 1093 NZ LYS E 169 17.500 15.542 64.769 1.00 37.85 N ATOM 1094 N SER E 170 10.184 14.847 65.710 1.00 19.19 N ATOM 1095 CA SER E 170 8.788 15.251 65.640 1.00 22.65 C ATOM 1096 C SER E 170 8.035 14.663 66.840 1.00 22.87 C ATOM 1097 O SER E 170 7.169 15.325 67.419 1.00 24.16 O ATOM 1098 CB SER E 170 8.149 14.855 64.305 1.00 24.19 C ATOM 1099 OG SER E 170 8.429 13.514 63.968 1.00 34.66 O ATOM 1100 N ALA E 171 8.429 13.453 67.251 1.00 21.76 N ATOM 1101 CA ALA E 171 7.824 12.763 68.393 1.00 15.90 C ATOM 1102 C ALA E 171 8.213 13.461 69.707 1.00 18.39 C ATOM 1103 O ALA E 171 7.391 13.617 70.618 1.00 16.63 O ATOM 1104 CB ALA E 171 8.271 11.299 68.420 1.00 11.23 C ATOM 1105 N TYR E 172 9.466 13.903 69.779 1.00 14.61 N ATOM 1106 CA TYR E 172 10.001 14.585 70.953 1.00 11.28 C ATOM 1107 C TYR E 172 10.514 15.987 70.626 1.00 12.23 C ATOM 1108 O TYR E 172 11.710 16.267 70.756 1.00 12.29 O ATOM 1109 CB TYR E 172 11.126 13.747 71.545 1.00 12.97 C ATOM 1110 CG TYR E 172 10.655 12.409 72.049 1.00 16.56 C ATOM 1111 CD1 TYR E 172 9.666 12.327 73.025 1.00 15.61 C ATOM 1112 CD2 TYR E 172 11.203 11.225 71.568 1.00 14.38 C ATOM 1113 CE1 TYR E 172 9.237 11.104 73.516 1.00 15.68 C ATOM 1114 CE2 TYR E 172 10.775 9.992 72.060 1.00 17.68 C ATOM 1115 CZ TYR E 172 9.795 9.946 73.038 1.00 13.78 C ATOM 1116 OH TYR E 172 9.398 8.749 73.574 1.00 14.05 O ATOM 1117 N PRO E 173 9.606 16.897 70.236 1.00 13.69 N ATOM 1118 CA PRO E 173 9.932 18.284 69.882 1.00 17.77 C ATOM 1119 C PRO E 173 10.839 18.983 70.881 1.00 18.08 C ATOM 1120 O PRO E 173 10.474 19.137 72.048 1.00 19.21 O ATOM 1121 CB PRO E 173 8.562 18.958 69.858 1.00 16.51 C ATOM 1122 CG PRO E 173 7.665 17.859 69.412 1.00 19.41 C ATOM 1123 CD PRO E 173 8.145 16.705 70.248 1.00 15.76 C ATOM 1124 N GLY E 174 12.028 19.359 70.424 1.00 18.89 N ATOM 1125 CA GLY E 174 12.982 20.072 71.249 1.00 23.73 C ATOM 1126 C GLY E 174 13.705 19.278 72.318 1.00 25.73 C ATOM 1127 O GLY E 174 14.562 19.817 73.024 1.00 31.26 O ATOM 1128 N GLN E 175 13.377 18.002 72.448 1.00 22.45 N ATOM 1129 CA GLN E 175 14.015 17.176 73.456 1.00 20.64 C ATOM 1130 C GLN E 175 15.151 16.334 72.909 1.00 20.18 C ATOM 1131 O GLN E 175 15.944 15.792 73.670 1.00 24.18 O ATOM 1132 CB GLN E 175 12.964 16.308 74.137 1.00 19.07 C ATOM 1133 CG GLN E 175 11.933 17.144 74.865 1.00 22.04 C ATOM 1134 CD GLN E 175 10.866 16.320 75.514 1.00 26.00 C ATOM 1135 OE1 GLN E 175 9.721 16.299 75.055 1.00 31.68 O ATOM 1136 NE2 GLN E 175 11.225 15.620 76.585 1.00 27.97 N ATOM 1137 N ILE E 176 15.255 16.258 71.588 1.00 19.73 N ATOM 1138 CA ILE E 176 16.285 15.456 70.950 1.00 14.71 C ATOM 1139 C ILE E 176 17.516 16.249 70.564 1.00 19.98 C ATOM 1140 O ILE E 176 17.434 17.186 69.766 1.00 23.17 O ATOM 1141 CB ILE E 176 15.736 14.764 69.691 1.00 11.29 C ATOM 1142 CG1 ILE E 176 14.504 13.932 70.049 1.00 5.13 C ATOM 1143 CG2 ILE E 176 16.814 13.889 69.053 1.00 10.31 C ATOM 1144 CD1 ILE E 176 14.791 12.824 71.016 1.00 7.34 C ATOM 1145 N THR E 177 18.658 15.874 71.127 1.00 17.12 N ATOM 1146 CA THR E 177 19.910 16.539 70.813 1.00 17.20 C ATOM 1147 C THR E 177 20.635 15.699 69.774 1.00 17.63 C ATOM 1148 O THR E 177 20.195 14.588 69.469 1.00 20.38 O ATOM 1149 CB THR E 177 20.791 16.698 72.073 1.00 18.59 C ATOM 1150 OG1 THR E 177 21.037 15.414 72.661 1.00 21.68 O ATOM 1151 CG2 THR E 177 20.095 17.588 73.088 1.00 17.34 C ATOM 1152 N SER E 178 21.763 16.194 69.271 1.00 15.82 N ATOM 1153 CA SER E 178 22.533 15.467 68.259 1.00 16.84 C ATOM 1154 C SER E 178 23.188 14.205 68.808 1.00 17.20 C ATOM 1155 O SER E 178 23.768 13.411 68.070 1.00 17.82 O ATOM 1156 CB SER E 178 23.603 16.373 67.659 1.00 16.67 C ATOM 1157 OG SER E 178 24.501 16.820 68.662 1.00 23.12 O ATOM 1158 N ASN E 179 23.092 14.020 70.114 1.00 22.62 N ATOM 1159 CA ASN E 179 23.677 12.855 70.745 1.00 17.81 C ATOM 1160 C ASN E 179 22.614 11.836 71.108 1.00 19.60 C ATOM 1161 O ASN E 179 22.857 10.944 71.919 1.00 18.95 O ATOM 1162 CB ASN E 179 24.453 13.289 71.972 1.00 19.54 C ATOM 1163 CG ASN E 179 25.536 14.272 71.636 1.00 15.64 C ATOM 1164 OD1 ASN E 179 25.446 15.455 71.964 1.00 18.55 O ATOM 1165 ND2 ASN E 179 26.559 13.799 70.949 1.00 13.88 N ATOM 1166 N MET E 180 21.440 11.971 70.493 1.00 19.51 N ATOM 1167 CA MET E 180 20.317 11.071 70.729 1.00 14.98 C ATOM 1168 C MET E 180 19.738 10.602 69.396 1.00 17.30 C ATOM 1169 O MET E 180 19.821 11.303 68.383 1.00 16.80 O ATOM 1170 CB MET E 180 19.205 11.787 71.502 1.00 13.05 C ATOM 1171 CG MET E 180 19.588 12.323 72.874 1.00 12.47 C ATOM 1172 SD MET E 180 18.178 13.150 73.645 1.00 13.96 S ATOM 1173 CE MET E 180 18.898 13.676 75.185 1.00 21.60 C ATOM 1174 N PHE E 181 19.156 9.412 69.402 1.00 16.12 N ATOM 1175 CA PHE E 181 18.522 8.873 68.214 1.00 16.80 C ATOM 1176 C PHE E 181 17.372 7.985 68.655 1.00 17.55 C ATOM 1177 O PHE E 181 17.398 7.420 69.748 1.00 20.01 O ATOM 1178 CB PHE E 181 19.521 8.109 67.321 1.00 13.51 C ATOM 1179 CG PHE E 181 19.972 6.776 67.872 1.00 14.29 C ATOM 1180 CD1 PHE E 181 19.200 5.630 67.694 1.00 12.63 C ATOM 1181 CD2 PHE E 181 21.202 6.654 68.513 1.00 16.62 C ATOM 1182 CE1 PHE E 181 19.642 4.395 68.137 1.00 15.40 C ATOM 1183 CE2 PHE E 181 21.654 5.419 68.961 1.00 13.89 C ATOM 1184 CZ PHE E 181 20.875 4.288 68.771 1.00 15.89 C ATOM 1185 N CYS E 182 16.331 7.928 67.839 1.00 17.50 N ATOM 1186 CA CYS E 182 15.185 7.098 68.141 1.00 14.40 C ATOM 1187 C CYS E 182 15.341 5.756 67.451 1.00 13.61 C ATOM 1188 O CYS E 182 15.936 5.665 66.386 1.00 16.04 O ATOM 1189 CB CYS E 182 13.911 7.767 67.656 1.00 16.84 C ATOM 1190 SG CYS E 182 13.446 9.236 68.613 1.00 17.97 S ATOM 1191 N ALA E 183 14.844 4.710 68.091 1.00 14.98 N ATOM 1192 CA ALA E 183 14.888 3.364 67.546 1.00 11.54 C ATOM 1193 C ALA E 183 13.619 2.730 68.066 1.00 13.97 C ATOM 1194 O ALA E 183 13.169 3.039 69.183 1.00 12.14 O ATOM 1195 CB ALA E 183 16.103 2.616 68.051 1.00 11.41 C ATOM 1196 N GLY E 184A 12.987 1.907 67.246 1.00 10.09 N ATOM 1197 CA GLY E 184A 11.763 1.293 67.706 1.00 13.34 C ATOM 1198 C GLY E 184A 10.634 1.325 66.705 1.00 14.89 C ATOM 1199 O GLY E 184A 10.865 1.339 65.495 1.00 15.37 O ATOM 1200 N TYR E 184 9.409 1.365 67.216 1.00 15.70 N ATOM 1201 CA TYR E 184 8.220 1.333 66.382 1.00 17.12 C ATOM 1202 C TYR E 184 7.231 2.394 66.819 1.00 22.02 C ATOM 1203 O TYR E 184 6.882 2.487 67.994 1.00 27.14 O ATOM 1204 CB TYR E 184 7.565 -0.053 66.480 1.00 17.20 C ATOM 1205 CG TYR E 184 8.456 -1.217 66.079 1.00 16.19 C ATOM 1206 CD1 TYR E 184 9.532 -1.618 66.876 1.00 12.87 C ATOM 1207 CD2 TYR E 184 8.223 -1.916 64.899 1.00 17.71 C ATOM 1208 CE1 TYR E 184 10.350 -2.682 66.504 1.00 14.11 C ATOM 1209 CE2 TYR E 184 9.032 -2.981 64.521 1.00 15.84 C ATOM 1210 CZ TYR E 184 10.088 -3.358 65.325 1.00 17.58 C ATOM 1211 OH TYR E 184 10.847 -4.435 64.960 1.00 17.97 O ATOM 1212 N LEU E 185 6.725 3.151 65.854 1.00 24.66 N ATOM 1213 CA LEU E 185 5.772 4.216 66.134 1.00 24.54 C ATOM 1214 C LEU E 185 4.397 3.701 66.533 1.00 25.88 C ATOM 1215 O LEU E 185 3.629 4.410 67.174 1.00 26.33 O ATOM 1216 CB LEU E 185 5.650 5.145 64.922 1.00 23.93 C ATOM 1217 CG LEU E 185 6.605 6.333 64.804 1.00 24.02 C ATOM 1218 CD1 LEU E 185 7.917 6.053 65.512 1.00 24.92 C ATOM 1219 CD2 LEU E 185 6.835 6.655 63.336 1.00 20.95 C ATOM 1220 N GLU E 186 4.080 2.473 66.147 1.00 27.25 N ATOM 1221 CA GLU E 186 2.780 1.900 66.472 1.00 27.82 C ATOM 1222 C GLU E 186 2.749 1.357 67.900 1.00 28.36 C ATOM 1223 O GLU E 186 1.678 1.036 68.427 1.00 28.16 O ATOM 1224 CB GLU E 186 2.415 0.792 65.479 1.00 28.22 C ATOM 1225 CG GLU E 186 3.297 -0.453 65.563 1.00 29.70 C ATOM 1226 CD GLU E 186 4.491 -0.443 64.619 1.00 31.09 C ATOM 1227 OE1 GLU E 186 4.995 -1.543 64.307 1.00 33.71 O ATOM 1228 OE2 GLU E 186 4.936 0.644 64.191 1.00 31.03 O ATOM 1229 N GLY E 187 3.923 1.251 68.518 1.00 24.36 N ATOM 1230 CA GLY E 187 4.004 0.738 69.872 1.00 25.20 C ATOM 1231 C GLY E 187 3.900 -0.774 69.984 1.00 24.44 C ATOM 1232 O GLY E 187 3.549 -1.467 69.025 1.00 23.30 O ATOM 1233 N GLY E 188A 4.216 -1.284 71.169 1.00 24.03 N ATOM 1234 CA GLY E 188A 4.157 -2.714 71.408 1.00 19.97 C ATOM 1235 C GLY E 188A 5.518 -3.362 71.539 1.00 17.87 C ATOM 1236 O GLY E 188A 5.643 -4.474 72.057 1.00 20.46 O ATOM 1237 N LYS E 188 6.544 -2.665 71.079 1.00 17.08 N ATOM 1238 CA LYS E 188 7.903 -3.178 71.142 1.00 18.51 C ATOM 1239 C LYS E 188 8.775 -2.011 71.545 1.00 17.54 C ATOM 1240 O LYS E 188 8.826 -1.010 70.829 1.00 18.04 O ATOM 1241 CB LYS E 188 8.333 -3.702 69.770 1.00 22.06 C ATOM 1242 CG LYS E 188 7.565 -4.927 69.280 1.00 24.23 C ATOM 1243 CD LYS E 188 8.038 -5.329 67.891 1.00 26.68 C ATOM 1244 CE LYS E 188 7.454 -6.660 67.451 1.00 32.17 C ATOM 1245 NZ LYS E 188 7.991 -7.818 68.232 1.00 35.07 N ATOM 1246 N ASP E 189 9.456 -2.128 72.681 1.00 17.63 N ATOM 1247 CA ASP E 189 10.303 -1.035 73.171 1.00 17.57 C ATOM 1248 C ASP E 189 11.148 -1.491 74.359 1.00 17.79 C ATOM 1249 O ASP E 189 10.909 -2.556 74.937 1.00 16.16 O ATOM 1250 CB ASP E 189 9.393 0.112 73.635 1.00 12.45 C ATOM 1251 CG ASP E 189 10.109 1.454 73.768 1.00 10.08 C ATOM 1252 OD1 ASP E 189 11.305 1.579 73.443 1.00 7.22 O ATOM 1253 OD2 ASP E 189 9.441 2.414 74.194 1.00 7.64 O ATOM 1254 N SER E 190 12.179 -0.714 74.664 1.00 17.75 N ATOM 1255 CA SER E 190 13.010 -0.974 75.823 1.00 19.31 C ATOM 1256 C SER E 190 12.201 -0.320 76.950 1.00 18.70 C ATOM 1257 O SER E 190 11.280 0.462 76.685 1.00 16.37 O ATOM 1258 CB SER E 190 14.374 -0.308 75.671 1.00 16.92 C ATOM 1259 OG SER E 190 14.232 1.085 75.472 1.00 26.67 O ATOM 1260 N CYS E 191 12.522 -0.634 78.198 1.00 18.73 N ATOM 1261 CA CYS E 191 11.760 -0.081 79.308 1.00 17.70 C ATOM 1262 C CYS E 191 12.634 -0.015 80.558 1.00 18.09 C ATOM 1263 O CYS E 191 13.827 -0.312 80.489 1.00 16.39 O ATOM 1264 CB CYS E 191 10.516 -0.944 79.532 1.00 19.18 C ATOM 1265 SG CYS E 191 9.191 -0.152 80.493 1.00 23.67 S ATOM 1266 N GLN E 192 12.060 0.371 81.692 1.00 18.18 N ATOM 1267 CA GLN E 192 12.844 0.469 82.924 1.00 23.85 C ATOM 1268 C GLN E 192 13.615 -0.795 83.266 1.00 19.93 C ATOM 1269 O GLN E 192 13.064 -1.889 83.284 1.00 24.09 O ATOM 1270 CB GLN E 192 11.983 0.909 84.106 1.00 22.45 C ATOM 1271 CG GLN E 192 11.713 2.396 84.114 1.00 26.07 C ATOM 1272 CD GLN E 192 10.827 2.832 82.968 1.00 26.88 C ATOM 1273 OE1 GLN E 192 9.811 2.198 82.681 1.00 29.84 O ATOM 1274 NE2 GLN E 192 11.201 3.919 82.309 1.00 31.07 N ATOM 1275 N GLY E 193 14.894 -0.618 83.565 1.00 20.10 N ATOM 1276 CA GLY E 193 15.760 -1.737 83.869 1.00 17.36 C ATOM 1277 C GLY E 193 16.669 -1.978 82.678 1.00 20.77 C ATOM 1278 O GLY E 193 17.741 -2.570 82.820 1.00 19.76 O ATOM 1279 N ASP E 194 16.242 -1.493 81.508 1.00 19.38 N ATOM 1280 CA ASP E 194 16.991 -1.635 80.260 1.00 18.06 C ATOM 1281 C ASP E 194 18.020 -0.542 80.038 1.00 16.83 C ATOM 1282 O ASP E 194 18.902 -0.690 79.185 1.00 13.09 O ATOM 1283 CB ASP E 194 16.039 -1.695 79.058 1.00 17.81 C ATOM 1284 CG ASP E 194 15.281 -3.010 78.982 1.00 17.14 C ATOM 1285 OD1 ASP E 194 15.895 -4.053 79.283 1.00 14.84 O ATOM 1286 OD2 ASP E 194 14.082 -3.014 78.619 1.00 17.16 O ATOM 1287 N SER E 195 17.913 0.549 80.797 1.00 14.93 N ATOM 1288 CA SER E 195 18.851 1.662 80.673 1.00 15.81 C ATOM 1289 C SER E 195 20.286 1.180 80.734 1.00 13.63 C ATOM 1290 O SER E 195 20.583 0.209 81.416 1.00 8.35 O ATOM 1291 CB SER E 195 18.618 2.695 81.769 1.00 19.83 C ATOM 1292 OG SER E 195 17.627 3.634 81.381 1.00 19.73 O ATOM 1293 N GLY E 196 21.171 1.847 80.002 1.00 11.47 N ATOM 1294 CA GLY E 196 22.564 1.436 79.987 1.00 10.37 C ATOM 1295 C GLY E 196 22.795 0.266 79.046 1.00 7.28 C ATOM 1296 O GLY E 196 23.927 -0.004 78.642 1.00 8.02 O ATOM 1297 N GLY E 197 21.718 -0.434 78.700 1.00 8.79 N ATOM 1298 CA GLY E 197 21.820 -1.573 77.806 1.00 16.74 C ATOM 1299 C GLY E 197 22.289 -1.226 76.405 1.00 15.77 C ATOM 1300 O GLY E 197 22.262 -0.057 76.006 1.00 17.43 O ATOM 1301 N PRO E 198 22.694 -2.231 75.624 1.00 17.23 N ATOM 1302 CA PRO E 198 23.176 -2.028 74.259 1.00 18.08 C ATOM 1303 C PRO E 198 22.143 -2.048 73.136 1.00 18.02 C ATOM 1304 O PRO E 198 21.070 -2.651 73.240 1.00 16.78 O ATOM 1305 CB PRO E 198 24.159 -3.181 74.091 1.00 18.01 C ATOM 1306 CG PRO E 198 23.448 -4.292 74.795 1.00 18.02 C ATOM 1307 CD PRO E 198 22.944 -3.616 76.064 1.00 17.48 C ATOM 1308 N VAL E 199 22.470 -1.314 72.081 1.00 19.61 N ATOM 1309 CA VAL E 199 21.679 -1.265 70.859 1.00 19.42 C ATOM 1310 C VAL E 199 22.807 -1.577 69.897 1.00 13.08 C ATOM 1311 O VAL E 199 23.740 -0.790 69.741 1.00 14.20 O ATOM 1312 CB VAL E 199 21.108 0.130 70.575 1.00 20.11 C ATOM 1313 CG1 VAL E 199 20.349 0.119 69.264 1.00 20.98 C ATOM 1314 CG2 VAL E 199 20.190 0.559 71.711 1.00 22.29 C ATOM 1315 N VAL E 200 22.813 -2.802 69.402 1.00 16.06 N ATOM 1316 CA VAL E 200 23.861 -3.254 68.503 1.00 15.37 C ATOM 1317 C VAL E 200 23.319 -3.399 67.085 1.00 18.08 C ATOM 1318 O VAL E 200 22.267 -4.008 66.879 1.00 16.20 O ATOM 1319 CB VAL E 200 24.452 -4.589 69.018 1.00 13.21 C ATOM 1320 CG1 VAL E 200 25.538 -5.097 68.097 1.00 14.76 C ATOM 1321 CG2 VAL E 200 25.029 -4.390 70.401 1.00 12.21 C ATOM 1322 N CYS E 201 24.012 -2.788 66.127 1.00 19.64 N ATOM 1323 CA CYS E 201 23.617 -2.836 64.719 1.00 21.02 C ATOM 1324 C CYS E 201 24.801 -3.279 63.870 1.00 22.08 C ATOM 1325 O CYS E 201 25.844 -2.624 63.860 1.00 21.61 O ATOM 1326 CB CYS E 201 23.169 -1.459 64.247 1.00 18.67 C ATOM 1327 SG CYS E 201 22.335 -0.495 65.528 1.00 18.30 S ATOM 1328 N SER E 202 24.648 -4.407 63.184 1.00 24.65 N ATOM 1329 CA SER E 202 25.698 -4.960 62.334 1.00 20.89 C ATOM 1330 C SER E 202 26.986 -5.212 63.122 1.00 18.14 C ATOM 1331 O SER E 202 28.081 -4.959 62.630 1.00 21.85 O ATOM 1332 CB SER E 202 25.962 -4.035 61.132 1.00 22.48 C ATOM 1333 OG SER E 202 24.758 -3.734 60.431 1.00 22.39 O ATOM 1334 N GLY E 203 26.847 -5.696 64.353 1.00 17.61 N ATOM 1335 CA GLY E 203 28.010 -5.994 65.180 1.00 12.67 C ATOM 1336 C GLY E 203 28.755 -4.815 65.781 1.00 13.05 C ATOM 1337 O GLY E 203 29.885 -4.962 66.261 1.00 13.85 O ATOM 1338 N LYS E 204 28.133 -3.644 65.758 1.00 13.23 N ATOM 1339 CA LYS E 204 28.734 -2.440 66.313 1.00 13.23 C ATOM 1340 C LYS E 204 27.768 -1.840 67.337 1.00 13.45 C ATOM 1341 O LYS E 204 26.561 -1.747 67.078 1.00 13.65 O ATOM 1342 CB LYS E 204 28.989 -1.421 65.196 1.00 16.41 C ATOM 1343 CG LYS E 204 30.033 -1.832 64.167 1.00 18.30 C ATOM 1344 CD LYS E 204 31.396 -1.970 64.812 1.00 23.98 C ATOM 1345 CE LYS E 204 32.484 -2.290 63.799 1.00 25.45 C ATOM 1346 NZ LYS E 204 33.827 -2.222 64.450 1.00 26.90 N ATOM 1347 N LEU E 209 28.292 -1.443 68.494 1.00 15.48 N ATOM 1348 CA LEU E 209 27.489 -0.833 69.556 1.00 13.04 C ATOM 1349 C LEU E 209 27.114 0.574 69.096 1.00 12.47 C ATOM 1350 O LEU E 209 27.924 1.490 69.145 1.00 11.29 O ATOM 1351 CB LEU E 209 28.308 -0.770 70.844 1.00 15.25 C ATOM 1352 CG LEU E 209 27.727 -0.072 72.082 1.00 16.76 C ATOM 1353 CD1 LEU E 209 26.415 -0.718 72.495 1.00 13.99 C ATOM 1354 CD2 LEU E 209 28.740 -0.132 73.217 1.00 13.11 C ATOM 1355 N GLN E 210 25.881 0.745 68.654 1.00 12.25 N ATOM 1356 CA GLN E 210 25.443 2.032 68.158 1.00 15.57 C ATOM 1357 C GLN E 210 24.659 2.866 69.174 1.00 15.84 C ATOM 1358 O GLN E 210 24.560 4.092 69.044 1.00 11.52 O ATOM 1359 CB GLN E 210 24.621 1.817 66.887 1.00 16.92 C ATOM 1360 CG GLN E 210 24.886 2.837 65.792 1.00 24.52 C ATOM 1361 CD GLN E 210 26.308 2.789 65.264 1.00 25.96 C ATOM 1362 OE1 GLN E 210 26.639 1.970 64.417 1.00 30.73 O ATOM 1363 NE2 GLN E 210 27.156 3.670 65.767 1.00 31.22 N ATOM 1364 N GLY E 211 24.094 2.216 70.184 1.00 16.43 N ATOM 1365 CA GLY E 211 23.332 2.964 71.171 1.00 18.48 C ATOM 1366 C GLY E 211 23.345 2.430 72.595 1.00 16.62 C ATOM 1367 O GLY E 211 23.724 1.287 72.851 1.00 11.90 O ATOM 1368 N ILE E 212 22.928 3.290 73.519 1.00 16.75 N ATOM 1369 CA ILE E 212 22.841 2.967 74.935 1.00 11.19 C ATOM 1370 C ILE E 212 21.416 3.295 75.321 1.00 6.29 C ATOM 1371 O ILE E 212 20.974 4.415 75.100 1.00 5.59 O ATOM 1372 CB ILE E 212 23.776 3.868 75.754 1.00 12.15 C ATOM 1373 CG1 ILE E 212 25.230 3.616 75.354 1.00 11.13 C ATOM 1374 CG2 ILE E 212 23.558 3.645 77.263 1.00 12.07 C ATOM 1375 CD1 ILE E 212 26.205 4.633 75.922 1.00 10.15 C ATOM 1376 N VAL E 213 20.677 2.333 75.859 1.00 9.47 N ATOM 1377 CA VAL E 213 19.294 2.612 76.249 1.00 12.12 C ATOM 1378 C VAL E 213 19.297 3.791 77.224 1.00 14.94 C ATOM 1379 O VAL E 213 19.959 3.737 78.259 1.00 18.66 O ATOM 1380 CB VAL E 213 18.607 1.401 76.901 1.00 9.57 C ATOM 1381 CG1 VAL E 213 17.144 1.722 77.129 1.00 11.36 C ATOM 1382 CG2 VAL E 213 18.746 0.150 76.018 1.00 6.22 C ATOM 1383 N SER E 214 18.585 4.860 76.873 1.00 14.73 N ATOM 1384 CA SER E 214 18.550 6.065 77.694 1.00 14.13 C ATOM 1385 C SER E 214 17.151 6.394 78.223 1.00 15.14 C ATOM 1386 O SER E 214 16.778 5.925 79.306 1.00 20.52 O ATOM 1387 CB SER E 214 19.163 7.233 76.904 1.00 14.68 C ATOM 1388 OG SER E 214 19.230 8.428 77.657 1.00 16.06 O ATOM 1389 N TRP E 215 16.374 7.184 77.482 1.00 15.02 N ATOM 1390 CA TRP E 215 15.027 7.547 77.921 1.00 9.95 C ATOM 1391 C TRP E 215 13.935 7.268 76.913 1.00 10.68 C ATOM 1392 O TRP E 215 14.170 6.665 75.867 1.00 11.54 O ATOM 1393 CB TRP E 215 14.957 9.015 78.332 1.00 13.10 C ATOM 1394 CG TRP E 215 15.293 10.017 77.253 1.00 10.33 C ATOM 1395 CD1 TRP E 215 16.541 10.396 76.845 1.00 12.77 C ATOM 1396 CD2 TRP E 215 14.373 10.857 76.544 1.00 9.13 C ATOM 1397 NE1 TRP E 215 16.452 11.434 75.947 1.00 12.80 N ATOM 1398 CE2 TRP E 215 15.134 11.733 75.743 1.00 10.78 C ATOM 1399 CE3 TRP E 215 12.977 10.958 76.514 1.00 8.58 C ATOM 1400 CZ2 TRP E 215 14.552 12.692 74.924 1.00 8.85 C ATOM 1401 CZ3 TRP E 215 12.399 11.921 75.701 1.00 10.48 C ATOM 1402 CH2 TRP E 215 13.188 12.772 74.916 1.00 7.35 C ATOM 1403 N GLY E 216 12.732 7.706 77.251 1.00 11.26 N ATOM 1404 CA GLY E 216 11.589 7.517 76.391 1.00 12.38 C ATOM 1405 C GLY E 216 10.370 7.904 77.190 1.00 16.37 C ATOM 1406 O GLY E 216 10.417 7.927 78.414 1.00 20.76 O ATOM 1407 N SER E 217 9.293 8.265 76.514 1.00 21.27 N ATOM 1408 CA SER E 217 8.082 8.647 77.209 1.00 22.33 C ATOM 1409 C SER E 217 7.248 7.400 77.453 1.00 24.80 C ATOM 1410 O SER E 217 6.365 7.059 76.657 1.00 30.92 O ATOM 1411 CB SER E 217 7.310 9.666 76.381 1.00 22.15 C ATOM 1412 OG SER E 217 6.149 10.098 77.060 1.00 23.60 O ATOM 1413 N GLY E 219 7.542 6.719 78.558 1.00 27.07 N ATOM 1414 CA GLY E 219 6.836 5.496 78.903 1.00 21.75 C ATOM 1415 C GLY E 219 7.537 4.310 78.270 1.00 20.01 C ATOM 1416 O GLY E 219 8.767 4.282 78.200 1.00 23.41 O ATOM 1417 N CYS E 220 6.769 3.329 77.818 1.00 18.26 N ATOM 1418 CA CYS E 220 7.332 2.152 77.175 1.00 20.10 C ATOM 1419 C CYS E 220 6.363 1.610 76.144 1.00 19.63 C ATOM 1420 O CYS E 220 5.173 1.475 76.413 1.00 16.10 O ATOM 1421 CB CYS E 220 7.636 1.061 78.200 1.00 23.07 C ATOM 1422 SG CYS E 220 8.827 1.564 79.477 1.00 30.52 S ATOM 1423 N ALA E 221A 6.883 1.337 74.953 1.00 19.56 N ATOM 1424 CA ALA E 221A 6.103 0.791 73.849 1.00 21.61 C ATOM 1425 C ALA E 221A 4.812 1.553 73.560 1.00 21.83 C ATOM 1426 O ALA E 221A 3.813 0.959 73.153 1.00 21.17 O ATOM 1427 CB ALA E 221A 5.813 -0.684 74.106 1.00 22.92 C ATOM 1428 N GLN E 221 4.844 2.865 73.768 1.00 24.37 N ATOM 1429 CA GLN E 221 3.683 3.715 73.529 1.00 28.18 C ATOM 1430 C GLN E 221 3.704 4.223 72.096 1.00 25.21 C ATOM 1431 O GLN E 221 4.771 4.483 71.543 1.00 27.81 O ATOM 1432 CB GLN E 221 3.667 4.894 74.511 1.00 29.77 C ATOM 1433 CG GLN E 221 3.583 4.483 75.976 1.00 32.18 C ATOM 1434 CD GLN E 221 2.389 3.581 76.269 1.00 37.18 C ATOM 1435 OE1 GLN E 221 1.233 3.973 76.072 1.00 41.53 O ATOM 1436 NE2 GLN E 221 2.659 2.375 76.750 1.00 34.97 N ATOM 1437 N LYS E 222 2.527 4.349 71.497 1.00 25.37 N ATOM 1438 CA LYS E 222 2.403 4.813 70.118 1.00 26.10 C ATOM 1439 C LYS E 222 2.944 6.227 69.918 1.00 25.40 C ATOM 1440 O LYS E 222 2.599 7.146 70.660 1.00 30.08 O ATOM 1441 CB LYS E 222 0.938 4.732 69.683 1.00 31.27 C ATOM 1442 CG LYS E 222 0.644 5.244 68.289 1.00 36.47 C ATOM 1443 CD LYS E 222 -0.816 4.984 67.939 1.00 42.54 C ATOM 1444 CE LYS E 222 -1.264 5.729 66.681 1.00 46.40 C ATOM 1445 NZ LYS E 222 -1.379 7.206 66.876 1.00 46.75 N ATOM 1446 N ASN E 223 3.822 6.371 68.930 1.00 21.62 N ATOM 1447 CA ASN E 223 4.460 7.636 68.559 1.00 19.69 C ATOM 1448 C ASN E 223 5.505 8.092 69.567 1.00 23.50 C ATOM 1449 O ASN E 223 6.009 9.214 69.481 1.00 23.69 O ATOM 1450 CB ASN E 223 3.437 8.758 68.333 1.00 21.03 C ATOM 1451 CG ASN E 223 2.342 8.380 67.348 1.00 23.83 C ATOM 1452 OD1 ASN E 223 1.156 8.479 67.669 1.00 27.64 O ATOM 1453 ND2 ASN E 223 2.725 7.969 66.140 1.00 19.45 N ATOM 1454 N LYS E 224 5.862 7.203 70.490 1.00 21.12 N ATOM 1455 CA LYS E 224 6.852 7.498 71.521 1.00 21.12 C ATOM 1456 C LYS E 224 7.968 6.459 71.495 1.00 19.91 C ATOM 1457 O LYS E 224 8.106 5.645 72.417 1.00 20.07 O ATOM 1458 CB LYS E 224 6.195 7.509 72.908 1.00 24.29 C ATOM 1459 CG LYS E 224 5.202 8.628 73.124 1.00 21.78 C ATOM 1460 CD LYS E 224 5.902 9.957 73.041 1.00 26.93 C ATOM 1461 CE LYS E 224 4.919 11.099 72.995 1.00 25.79 C ATOM 1462 NZ LYS E 224 5.654 12.357 72.720 1.00 29.03 N ATOM 1463 N PRO E 225 8.799 6.486 70.448 1.00 16.83 N ATOM 1464 CA PRO E 225 9.903 5.533 70.319 1.00 18.63 C ATOM 1465 C PRO E 225 10.897 5.657 71.472 1.00 16.78 C ATOM 1466 O PRO E 225 10.813 6.586 72.277 1.00 19.76 O ATOM 1467 CB PRO E 225 10.543 5.943 68.995 1.00 19.77 C ATOM 1468 CG PRO E 225 10.310 7.417 68.963 1.00 20.11 C ATOM 1469 CD PRO E 225 8.870 7.511 69.394 1.00 18.46 C ATOM 1470 N GLY E 226 11.817 4.706 71.563 1.00 12.66 N ATOM 1471 CA GLY E 226 12.813 4.757 72.609 1.00 13.21 C ATOM 1472 C GLY E 226 13.909 5.693 72.158 1.00 15.59 C ATOM 1473 O GLY E 226 14.249 5.743 70.978 1.00 19.48 O ATOM 1474 N VAL E 227 14.428 6.481 73.086 1.00 17.92 N ATOM 1475 CA VAL E 227 15.498 7.415 72.780 1.00 15.38 C ATOM 1476 C VAL E 227 16.779 6.763 73.259 1.00 12.78 C ATOM 1477 O VAL E 227 16.834 6.229 74.367 1.00 15.73 O ATOM 1478 CB VAL E 227 15.307 8.751 73.506 1.00 11.62 C ATOM 1479 CG1 VAL E 227 16.387 9.717 73.108 1.00 9.71 C ATOM 1480 CG2 VAL E 227 13.934 9.308 73.215 1.00 12.60 C ATOM 1481 N TYR E 228 17.822 6.861 72.447 1.00 12.92 N ATOM 1482 CA TYR E 228 19.093 6.242 72.764 1.00 8.72 C ATOM 1483 C TYR E 228 20.293 7.149 72.618 1.00 10.17 C ATOM 1484 O TYR E 228 20.285 8.113 71.855 1.00 13.58 O ATOM 1485 CB TYR E 228 19.287 5.003 71.888 1.00 9.64 C ATOM 1486 CG TYR E 228 18.207 3.969 72.072 1.00 7.79 C ATOM 1487 CD1 TYR E 228 18.378 2.914 72.966 1.00 8.01 C ATOM 1488 CD2 TYR E 228 17.002 4.059 71.377 1.00 6.31 C ATOM 1489 CE1 TYR E 228 17.375 1.970 73.168 1.00 10.72 C ATOM 1490 CE2 TYR E 228 15.988 3.124 71.574 1.00 7.86 C ATOM 1491 CZ TYR E 228 16.183 2.079 72.476 1.00 7.52 C ATOM 1492 OH TYR E 228 15.201 1.143 72.688 1.00 8.12 O ATOM 1493 N THR E 229 21.344 6.810 73.346 1.00 12.41 N ATOM 1494 CA THR E 229 22.571 7.575 73.311 1.00 12.80 C ATOM 1495 C THR E 229 23.356 7.199 72.058 1.00 13.07 C ATOM 1496 O THR E 229 23.691 6.030 71.836 1.00 15.45 O ATOM 1497 CB THR E 229 23.380 7.357 74.622 1.00 7.30 C ATOM 1498 OG1 THR E 229 22.576 7.767 75.739 1.00 7.29 O ATOM 1499 CG2 THR E 229 24.643 8.161 74.619 1.00 8.60 C ATOM 1500 N LYS E 230 23.583 8.200 71.215 1.00 13.79 N ATOM 1501 CA LYS E 230 24.302 8.039 69.957 1.00 12.95 C ATOM 1502 C LYS E 230 25.803 7.871 70.205 1.00 9.86 C ATOM 1503 O LYS E 230 26.574 8.827 70.101 1.00 13.67 O ATOM 1504 CB LYS E 230 24.023 9.256 69.072 1.00 10.20 C ATOM 1505 CG LYS E 230 24.395 9.109 67.620 1.00 16.37 C ATOM 1506 CD LYS E 230 24.001 10.370 66.889 1.00 20.87 C ATOM 1507 CE LYS E 230 24.306 10.325 65.411 1.00 25.41 C ATOM 1508 NZ LYS E 230 23.945 11.635 64.775 1.00 31.21 N ATOM 1509 N VAL E 231 26.198 6.637 70.494 1.00 7.95 N ATOM 1510 CA VAL E 231 27.583 6.256 70.782 1.00 6.13 C ATOM 1511 C VAL E 231 28.639 6.685 69.760 1.00 11.16 C ATOM 1512 O VAL E 231 29.777 6.955 70.149 1.00 10.23 O ATOM 1513 CB VAL E 231 27.695 4.708 71.021 1.00 5.75 C ATOM 1514 CG1 VAL E 231 29.112 4.311 71.408 1.00 5.67 C ATOM 1515 CG2 VAL E 231 26.742 4.275 72.117 1.00 5.10 C ATOM 1516 N CYS E 232 28.294 6.752 68.469 1.00 12.71 N ATOM 1517 CA CYS E 232 29.283 7.152 67.455 1.00 16.76 C ATOM 1518 C CYS E 232 29.872 8.527 67.748 1.00 18.36 C ATOM 1519 O CYS E 232 31.042 8.788 67.450 1.00 19.51 O ATOM 1520 CB CYS E 232 28.713 7.096 66.025 1.00 19.65 C ATOM 1521 SG CYS E 232 27.278 8.168 65.680 1.00 22.21 S ATOM 1522 N ASN E 233 29.087 9.378 68.405 1.00 17.19 N ATOM 1523 CA ASN E 233 29.541 10.726 68.770 1.00 15.13 C ATOM 1524 C ASN E 233 30.552 10.696 69.906 1.00 14.10 C ATOM 1525 O ASN E 233 31.294 11.652 70.105 1.00 11.69 O ATOM 1526 CB ASN E 233 28.360 11.584 69.214 1.00 14.74 C ATOM 1527 CG ASN E 233 27.355 11.792 68.109 1.00 20.00 C ATOM 1528 OD1 ASN E 233 27.278 10.994 67.176 1.00 26.74 O ATOM 1529 ND2 ASN E 233 26.592 12.874 68.189 1.00 18.49 N ATOM 1530 N TYR E 234 30.597 9.572 70.619 1.00 12.56 N ATOM 1531 CA TYR E 234 31.474 9.400 71.773 1.00 10.89 C ATOM 1532 C TYR E 234 32.654 8.470 71.593 1.00 12.85 C ATOM 1533 O TYR E 234 33.470 8.332 72.504 1.00 17.23 O ATOM 1534 CB TYR E 234 30.643 8.928 72.963 1.00 6.53 C ATOM 1535 CG TYR E 234 29.517 9.870 73.298 1.00 2.89 C ATOM 1536 CD1 TYR E 234 29.765 11.048 73.992 1.00 4.00 C ATOM 1537 CD2 TYR E 234 28.209 9.596 72.910 1.00 4.44 C ATOM 1538 CE1 TYR E 234 28.745 11.926 74.291 1.00 2.94 C ATOM 1539 CE2 TYR E 234 27.179 10.477 73.210 1.00 5.10 C ATOM 1540 CZ TYR E 234 27.467 11.637 73.903 1.00 3.60 C ATOM 1541 OH TYR E 234 26.471 12.512 74.226 1.00 12.98 O ATOM 1542 N VAL E 235 32.772 7.860 70.419 1.00 15.51 N ATOM 1543 CA VAL E 235 33.864 6.931 70.153 1.00 10.74 C ATOM 1544 C VAL E 235 35.233 7.481 70.525 1.00 9.46 C ATOM 1545 O VAL E 235 36.050 6.770 71.094 1.00 14.51 O ATOM 1546 CB VAL E 235 33.822 6.430 68.696 1.00 9.07 C ATOM 1547 CG1 VAL E 235 35.035 5.609 68.370 1.00 3.54 C ATOM 1548 CG2 VAL E 235 32.593 5.582 68.504 1.00 6.77 C ATOM 1549 N SER E 236 35.479 8.750 70.244 1.00 12.00 N ATOM 1550 CA SER E 236 36.768 9.349 70.591 1.00 20.67 C ATOM 1551 C SER E 236 36.900 9.645 72.099 1.00 20.50 C ATOM 1552 O SER E 236 37.985 9.484 72.670 1.00 16.52 O ATOM 1553 CB SER E 236 37.011 10.614 69.761 1.00 20.66 C ATOM 1554 OG SER E 236 35.793 11.305 69.522 1.00 27.80 O ATOM 1555 N TRP E 237 35.804 10.080 72.729 1.00 17.71 N ATOM 1556 CA TRP E 237 35.802 10.370 74.157 1.00 19.09 C ATOM 1557 C TRP E 237 36.124 9.067 74.883 1.00 21.60 C ATOM 1558 O TRP E 237 37.045 9.010 75.701 1.00 24.97 O ATOM 1559 CB TRP E 237 34.436 10.893 74.625 1.00 19.53 C ATOM 1560 CG TRP E 237 34.383 11.093 76.140 1.00 22.68 C ATOM 1561 CD1 TRP E 237 35.064 12.035 76.864 1.00 21.30 C ATOM 1562 CD2 TRP E 237 33.692 10.275 77.103 1.00 22.37 C ATOM 1563 NE1 TRP E 237 34.854 11.845 78.211 1.00 22.04 N ATOM 1564 CE2 TRP E 237 34.021 10.773 78.389 1.00 22.73 C ATOM 1565 CE3 TRP E 237 32.834 9.168 77.006 1.00 20.36 C ATOM 1566 CZ2 TRP E 237 33.523 10.201 79.568 1.00 16.83 C ATOM 1567 CZ3 TRP E 237 32.334 8.603 78.181 1.00 18.50 C ATOM 1568 CH2 TRP E 237 32.689 9.119 79.444 1.00 16.25 C ATOM 1569 N ILE E 238 35.378 8.018 74.540 1.00 18.53 N ATOM 1570 CA ILE E 238 35.550 6.688 75.118 1.00 10.85 C ATOM 1571 C ILE E 238 37.002 6.219 75.025 1.00 15.30 C ATOM 1572 O ILE E 238 37.630 5.886 76.036 1.00 18.14 O ATOM 1573 CB ILE E 238 34.615 5.675 74.424 1.00 3.78 C ATOM 1574 CG1 ILE E 238 33.159 6.034 74.713 1.00 3.11 C ATOM 1575 CG2 ILE E 238 34.875 4.278 74.936 1.00 10.46 C ATOM 1576 CD1 ILE E 238 32.151 5.087 74.092 1.00 4.45 C ATOM 1577 N LYS E 239 37.552 6.261 73.820 1.00 16.58 N ATOM 1578 CA LYS E 239 38.923 5.841 73.569 1.00 16.61 C ATOM 1579 C LYS E 239 39.942 6.574 74.430 1.00 15.32 C ATOM 1580 O LYS E 239 40.838 5.960 74.999 1.00 17.19 O ATOM 1581 CB LYS E 239 39.264 6.098 72.105 1.00 25.23 C ATOM 1582 CG LYS E 239 40.162 5.060 71.490 1.00 32.00 C ATOM 1583 CD LYS E 239 39.339 3.870 71.025 1.00 35.68 C ATOM 1584 CE LYS E 239 38.371 4.265 69.919 1.00 36.72 C ATOM 1585 NZ LYS E 239 37.634 3.077 69.397 1.00 41.95 N ATOM 1586 N GLN E 240 39.826 7.898 74.476 1.00 20.11 N ATOM 1587 CA GLN E 240 40.743 8.750 75.234 1.00 18.66 C ATOM 1588 C GLN E 240 40.597 8.570 76.736 1.00 16.89 C ATOM 1589 O GLN E 240 41.599 8.460 77.458 1.00 19.14 O ATOM 1590 CB GLN E 240 40.539 10.220 74.853 1.00 20.76 C ATOM 1591 CG GLN E 240 40.873 10.532 73.402 1.00 21.90 C ATOM 1592 CD GLN E 240 40.614 11.980 73.023 1.00 24.41 C ATOM 1593 OE1 GLN E 240 39.798 12.667 73.639 1.00 26.47 O ATOM 1594 NE2 GLN E 240 41.304 12.448 71.996 1.00 25.43 N ATOM 1595 N THR E 241 39.355 8.546 77.207 1.00 11.10 N ATOM 1596 CA THR E 241 39.088 8.357 78.621 1.00 11.52 C ATOM 1597 C THR E 241 39.758 7.067 79.075 1.00 12.98 C ATOM 1598 O THR E 241 40.633 7.086 79.937 1.00 15.63 O ATOM 1599 CB THR E 241 37.603 8.249 78.866 1.00 11.94 C ATOM 1600 OG1 THR E 241 36.955 9.366 78.248 1.00 17.69 O ATOM 1601 CG2 THR E 241 37.312 8.264 80.349 1.00 10.41 C ATOM 1602 N ILE E 242 39.399 5.963 78.419 1.00 16.42 N ATOM 1603 CA ILE E 242 39.948 4.646 78.717 1.00 12.84 C ATOM 1604 C ILE E 242 41.475 4.646 78.667 1.00 15.04 C ATOM 1605 O ILE E 242 42.133 4.051 79.517 1.00 16.79 O ATOM 1606 CB ILE E 242 39.438 3.612 77.707 1.00 14.16 C ATOM 1607 CG1 ILE E 242 37.944 3.373 77.900 1.00 12.95 C ATOM 1608 CG2 ILE E 242 40.216 2.304 77.830 1.00 20.06 C ATOM 1609 CD1 ILE E 242 37.405 2.236 77.051 1.00 11.22 C ATOM 1610 N ALA E 243 42.023 5.336 77.676 1.00 15.59 N ATOM 1611 CA ALA E 243 43.463 5.412 77.480 1.00 18.86 C ATOM 1612 C ALA E 243 44.189 6.102 78.618 1.00 22.44 C ATOM 1613 O ALA E 243 45.371 5.832 78.860 1.00 21.24 O ATOM 1614 CB ALA E 243 43.776 6.114 76.166 1.00 19.53 C ATOM 1615 N SER E 244 43.497 7.020 79.288 1.00 25.21 N ATOM 1616 CA SER E 244 44.098 7.753 80.391 1.00 25.73 C ATOM 1617 C SER E 244 43.744 7.222 81.778 1.00 27.54 C ATOM 1618 O SER E 244 44.124 7.824 82.782 1.00 34.95 O ATOM 1619 CB SER E 244 43.787 9.245 80.267 1.00 24.59 C ATOM 1620 OG SER E 244 42.442 9.474 79.885 1.00 28.59 O ATOM 1621 N ASN E 245 43.089 6.062 81.824 1.00 29.51 N ATOM 1622 CA ASN E 245 42.686 5.415 83.077 1.00 28.32 C ATOM 1623 C ASN E 245 42.958 3.904 83.048 1.00 28.94 C ATOM 1624 O ASN E 245 42.072 3.125 83.456 1.00 29.36 O ATOM 1625 CB ASN E 245 41.201 5.668 83.359 1.00 29.06 C ATOM 1626 CG ASN E 245 40.940 7.060 83.878 1.00 32.15 C ATOM 1627 OD1 ASN E 245 41.037 7.315 85.078 1.00 33.32 O ATOM 1628 ND2 ASN E 245 40.607 7.970 82.980 1.00 30.32 N ATOM 1629 OXT ASN E 245 44.062 3.500 82.621 1.00 31.83 O TER 1630 ASN E 245 ATOM 1631 N GLU I 301 -1.237 17.420 91.119 1.00 54.31 N ATOM 1632 CA GLU I 301 -1.942 16.528 90.157 1.00 51.83 C ATOM 1633 C GLU I 301 -0.825 15.713 89.483 1.00 52.65 C ATOM 1634 O GLU I 301 0.355 15.930 89.790 1.00 51.72 O ATOM 1635 CB GLU I 301 -2.726 17.391 89.154 1.00 52.84 C ATOM 1636 CG GLU I 301 -4.143 16.899 88.798 1.00 53.65 C ATOM 1637 CD GLU I 301 -5.132 16.894 89.970 1.00 53.97 C ATOM 1638 OE1 GLU I 301 -4.774 16.441 91.081 1.00 55.02 O ATOM 1639 OE2 GLU I 301 -6.292 17.320 89.762 1.00 52.14 O ATOM 1640 N PRO I 302 -1.179 14.720 88.637 1.00 52.02 N ATOM 1641 CA PRO I 302 -0.272 13.829 87.898 1.00 52.21 C ATOM 1642 C PRO I 302 1.078 14.326 87.358 1.00 53.92 C ATOM 1643 O PRO I 302 1.428 15.506 87.469 1.00 56.26 O ATOM 1644 CB PRO I 302 -1.173 13.312 86.789 1.00 52.75 C ATOM 1645 CG PRO I 302 -2.438 13.049 87.551 1.00 52.87 C ATOM 1646 CD PRO I 302 -2.573 14.263 88.464 1.00 51.53 C ATOM 1647 N CYS I 303 1.819 13.402 86.748 1.00 55.24 N ATOM 1648 CA CYS I 303 3.145 13.685 86.193 1.00 57.88 C ATOM 1649 C CYS I 303 3.135 14.515 84.906 1.00 58.50 C ATOM 1650 O CYS I 303 3.463 14.000 83.832 1.00 58.40 O ATOM 1651 CB CYS I 303 3.904 12.375 85.934 1.00 59.42 C ATOM 1652 SG CYS I 303 5.725 12.431 86.118 1.00 62.74 S ATOM 1653 N CYS I 304 2.720 15.777 85.013 1.00 57.86 N ATOM 1654 CA CYS I 304 2.709 16.705 83.879 1.00 55.98 C ATOM 1655 C CYS I 304 2.144 16.097 82.591 1.00 55.42 C ATOM 1656 O CYS I 304 1.258 15.235 82.619 1.00 55.77 O ATOM 1657 CB CYS I 304 4.146 17.131 83.594 1.00 54.21 C ATOM 1658 SG CYS I 304 5.056 15.811 82.719 1.00 53.26 S ATOM 1659 N ASP I 305 2.649 16.598 81.465 1.00 53.25 N ATOM 1660 CA ASP I 305 2.282 16.108 80.150 1.00 51.58 C ATOM 1661 C ASP I 305 3.546 15.358 79.724 1.00 49.69 C ATOM 1662 O ASP I 305 4.661 15.865 79.912 1.00 45.75 O ATOM 1663 CB ASP I 305 1.944 17.281 79.202 1.00 52.46 C ATOM 1664 CG ASP I 305 3.055 17.587 78.193 1.00 54.37 C ATOM 1665 OD1 ASP I 305 2.958 17.127 77.032 1.00 55.96 O ATOM 1666 OD2 ASP I 305 4.017 18.294 78.552 1.00 53.31 O ATOM 1667 N SER I 306 3.366 14.135 79.223 1.00 49.34 N ATOM 1668 CA SER I 306 4.467 13.265 78.783 1.00 52.22 C ATOM 1669 C SER I 306 5.725 13.345 79.666 1.00 52.57 C ATOM 1670 O SER I 306 6.746 13.935 79.285 1.00 51.35 O ATOM 1671 CB SER I 306 4.807 13.493 77.291 1.00 51.85 C ATOM 1672 OG SER I 306 5.356 14.776 77.027 1.00 49.21 O ATOM 1673 N CYS I 307 5.644 12.758 80.855 1.00 53.05 N ATOM 1674 CA CYS I 307 6.770 12.779 81.781 1.00 53.07 C ATOM 1675 C CYS I 307 7.990 12.032 81.258 1.00 49.59 C ATOM 1676 O CYS I 307 8.071 10.812 81.374 1.00 47.18 O ATOM 1677 CB CYS I 307 6.364 12.218 83.147 1.00 56.27 C ATOM 1678 SG CYS I 307 6.402 13.447 84.495 1.00 61.19 S ATOM 1679 N ARG I 308 8.901 12.761 80.616 1.00 48.57 N ATOM 1680 CA ARG I 308 10.139 12.170 80.111 1.00 46.81 C ATOM 1681 C ARG I 308 10.778 11.401 81.266 1.00 45.41 C ATOM 1682 O ARG I 308 11.212 11.997 82.261 1.00 45.44 O ATOM 1683 CB ARG I 308 11.099 13.255 79.597 1.00 45.72 C ATOM 1684 CG ARG I 308 12.553 12.785 79.484 1.00 45.75 C ATOM 1685 CD ARG I 308 13.402 13.662 78.581 1.00 46.31 C ATOM 1686 NE ARG I 308 13.480 15.052 79.013 1.00 47.57 N ATOM 1687 CZ ARG I 308 14.047 16.016 78.294 1.00 49.68 C ATOM 1688 NH1 ARG I 308 14.582 15.735 77.113 1.00 48.11 N ATOM 1689 NH2 ARG I 308 14.062 17.266 78.745 1.00 47.62 N ATOM 1690 N CYS I 309 10.811 10.081 81.133 1.00 41.67 N ATOM 1691 CA CYS I 309 11.358 9.220 82.163 1.00 41.52 C ATOM 1692 C CYS I 309 12.551 8.409 81.695 1.00 40.84 C ATOM 1693 O CYS I 309 12.621 7.982 80.534 1.00 38.47 O ATOM 1694 CB CYS I 309 10.283 8.249 82.649 1.00 45.34 C ATOM 1695 SG CYS I 309 8.750 9.038 83.225 1.00 53.26 S ATOM 1696 N THR I 310 13.505 8.223 82.600 1.00 36.55 N ATOM 1697 CA THR I 310 14.677 7.421 82.304 1.00 34.60 C ATOM 1698 C THR I 310 14.197 5.978 82.439 1.00 35.01 C ATOM 1699 O THR I 310 13.207 5.701 83.123 1.00 36.08 O ATOM 1700 CB THR I 310 15.821 7.668 83.307 1.00 32.88 C ATOM 1701 OG1 THR I 310 15.396 7.297 84.625 1.00 33.22 O ATOM 1702 CG2 THR I 310 16.238 9.126 83.294 1.00 28.12 C ATOM 1703 N LYS I 311 14.889 5.056 81.796 1.00 32.91 N ATOM 1704 CA LYS I 311 14.489 3.665 81.874 1.00 35.29 C ATOM 1705 C LYS I 311 15.359 2.897 82.879 1.00 33.17 C ATOM 1706 O LYS I 311 15.812 1.780 82.631 1.00 31.02 O ATOM 1707 CB LYS I 311 14.514 3.069 80.465 1.00 30.92 C ATOM 1708 CG LYS I 311 13.494 3.745 79.560 1.00 27.68 C ATOM 1709 CD LYS I 311 13.548 3.243 78.150 1.00 22.77 C ATOM 1710 CE LYS I 311 12.346 3.738 77.388 1.00 21.93 C ATOM 1711 NZ LYS I 311 12.309 3.124 76.038 1.00 25.44 N ATOM 1712 N SER I 312 15.575 3.520 84.028 1.00 35.40 N ATOM 1713 CA SER I 312 16.394 2.941 85.078 1.00 37.51 C ATOM 1714 C SER I 312 15.532 2.354 86.177 1.00 36.24 C ATOM 1715 O SER I 312 14.307 2.533 86.183 1.00 34.00 O ATOM 1716 CB SER I 312 17.319 4.013 85.670 1.00 39.75 C ATOM 1717 OG SER I 312 16.606 5.199 86.006 1.00 43.04 O ATOM 1718 N ILE I 313 16.171 1.607 87.072 1.00 37.32 N ATOM 1719 CA ILE I 313 15.484 1.020 88.213 1.00 37.53 C ATOM 1720 C ILE I 313 16.047 1.667 89.478 1.00 38.90 C ATOM 1721 O ILE I 313 17.198 1.415 89.854 1.00 37.68 O ATOM 1722 CB ILE I 313 15.671 -0.520 88.297 1.00 37.51 C ATOM 1723 CG1 ILE I 313 14.899 -1.219 87.177 1.00 34.94 C ATOM 1724 CG2 ILE I 313 15.164 -1.045 89.641 1.00 38.91 C ATOM 1725 CD1 ILE I 313 14.872 -2.735 87.313 1.00 31.44 C ATOM 1726 N PRO I 314 15.309 2.637 90.047 1.00 38.98 N ATOM 1727 CA PRO I 314 14.019 3.130 89.545 1.00 38.89 C ATOM 1728 C PRO I 314 14.219 4.318 88.575 1.00 38.86 C ATOM 1729 O PRO I 314 15.292 4.936 88.549 1.00 38.43 O ATOM 1730 CB PRO I 314 13.287 3.514 90.832 1.00 39.71 C ATOM 1731 CG PRO I 314 14.383 4.019 91.701 1.00 39.49 C ATOM 1732 CD PRO I 314 15.516 3.038 91.454 1.00 39.89 C ATOM 1733 N PRO I 315 13.208 4.616 87.740 1.00 39.15 N ATOM 1734 CA PRO I 315 13.235 5.707 86.748 1.00 43.15 C ATOM 1735 C PRO I 315 13.256 7.141 87.275 1.00 43.56 C ATOM 1736 O PRO I 315 12.880 7.406 88.418 1.00 46.95 O ATOM 1737 CB PRO I 315 11.982 5.441 85.924 1.00 40.51 C ATOM 1738 CG PRO I 315 11.052 4.856 86.926 1.00 42.44 C ATOM 1739 CD PRO I 315 11.936 3.882 87.666 1.00 41.12 C ATOM 1740 N GLN I 316 13.639 8.066 86.395 1.00 43.46 N ATOM 1741 CA GLN I 316 13.731 9.492 86.708 1.00 44.93 C ATOM 1742 C GLN I 316 12.890 10.283 85.701 1.00 44.44 C ATOM 1743 O GLN I 316 13.360 10.622 84.607 1.00 39.76 O ATOM 1744 CB GLN I 316 15.193 9.948 86.640 1.00 46.64 C ATOM 1745 CG GLN I 316 16.116 9.228 87.615 1.00 48.63 C ATOM 1746 CD GLN I 316 17.556 9.132 87.121 1.00 48.71 C ATOM 1747 OE1 GLN I 316 18.240 10.143 86.950 1.00 46.84 O ATOM 1748 NE2 GLN I 316 18.024 7.904 86.902 1.00 50.45 N ATOM 1749 N CYS I 317 11.657 10.591 86.092 1.00 44.70 N ATOM 1750 CA CYS I 317 10.713 11.308 85.237 1.00 47.77 C ATOM 1751 C CYS I 317 10.765 12.830 85.224 1.00 47.71 C ATOM 1752 O CYS I 317 9.779 13.487 85.568 1.00 45.98 O ATOM 1753 CB CYS I 317 9.291 10.867 85.563 1.00 49.55 C ATOM 1754 SG CYS I 317 8.982 9.107 85.240 1.00 54.00 S ATOM 1755 N HIS I 318 11.870 13.393 84.742 1.00 51.05 N ATOM 1756 CA HIS I 318 12.020 14.856 84.668 1.00 54.53 C ATOM 1757 C HIS I 318 10.980 15.548 83.771 1.00 54.31 C ATOM 1758 O HIS I 318 10.972 16.775 83.645 1.00 55.27 O ATOM 1759 CB HIS I 318 13.449 15.259 84.256 1.00 52.51 C ATOM 1760 CG HIS I 318 14.160 14.219 83.450 1.00 54.09 C ATOM 1761 ND1 HIS I 318 15.399 13.726 83.800 1.00 55.31 N ATOM 1762 CD2 HIS I 318 13.780 13.532 82.347 1.00 54.77 C ATOM 1763 CE1 HIS I 318 15.746 12.774 82.954 1.00 56.18 C ATOM 1764 NE2 HIS I 318 14.781 12.637 82.063 1.00 55.16 N ATOM 1765 N CYS I 319 10.108 14.749 83.161 1.00 53.40 N ATOM 1766 CA CYS I 319 9.037 15.243 82.301 1.00 55.05 C ATOM 1767 C CYS I 319 9.461 15.973 81.024 1.00 57.03 C ATOM 1768 O CYS I 319 10.651 16.203 80.786 1.00 57.84 O ATOM 1769 CB CYS I 319 8.060 16.115 83.092 1.00 51.97 C ATOM 1770 SG CYS I 319 6.715 16.748 82.041 1.00 55.43 S ATOM 1771 N ALA I 320 8.475 16.258 80.174 1.00 57.51 N ATOM 1772 CA ALA I 320 8.693 16.958 78.912 1.00 58.34 C ATOM 1773 C ALA I 320 8.014 18.330 78.884 1.00 56.68 C ATOM 1774 O ALA I 320 8.351 19.177 78.058 1.00 56.01 O ATOM 1775 CB ALA I 320 8.181 16.111 77.760 1.00 59.31 C ATOM 1776 N ASN I 321 7.045 18.527 79.773 1.00 54.99 N ATOM 1777 CA ASN I 321 6.294 19.779 79.862 1.00 54.51 C ATOM 1778 C ASN I 321 7.161 21.007 80.103 1.00 55.88 C ATOM 1779 O ASN I 321 7.464 21.346 81.254 1.00 56.70 O ATOM 1780 CB ASN I 321 5.243 19.681 80.977 1.00 53.90 C ATOM 1781 CG ASN I 321 4.147 20.735 80.851 1.00 53.25 C ATOM 1782 OD1 ASN I 321 2.963 20.396 80.795 1.00 52.25 O ATOM 1783 ND2 ASN I 321 4.526 22.008 80.824 1.00 52.51 N ATOM 1784 N ILE I 322 7.554 21.676 79.024 1.00 55.54 N ATOM 1785 CA ILE I 322 8.355 22.892 79.135 1.00 55.64 C ATOM 1786 C ILE I 322 7.426 24.055 78.758 1.00 55.67 C ATOM 1787 O ILE I 322 7.882 25.062 78.171 1.00 56.40 O ATOM 1788 CB ILE I 322 9.601 22.853 78.199 1.00 56.81 C ATOM 1789 CG1 ILE I 322 10.262 21.466 78.233 1.00 57.04 C ATOM 1790 CG2 ILE I 322 10.619 23.925 78.623 1.00 55.99 C ATOM 1791 CD1 ILE I 322 10.701 20.995 79.622 1.00 58.31 C ATOM 1792 OXT ILE I 322 6.215 23.928 79.044 1.00 53.28 O TER 1793 ILE I 322 HETATM 1794 CA CA E 801 22.488 -16.020 86.996 1.00 17.78 CA HETATM 1795 S SO4 E 802 44.252 11.096 70.511 1.00 47.59 S HETATM 1796 O1 SO4 E 802 43.870 10.517 71.926 1.00 52.33 O HETATM 1797 O2 SO4 E 802 44.124 9.957 69.421 1.00 49.00 O HETATM 1798 O3 SO4 E 802 45.742 11.640 70.550 1.00 47.39 O HETATM 1799 O4 SO4 E 802 43.174 12.213 70.263 1.00 48.91 O HETATM 1800 S SO4 E 803 22.893 -13.014 94.412 1.00 60.47 S HETATM 1801 O1 SO4 E 803 23.483 -11.692 95.061 1.00 59.25 O HETATM 1802 O2 SO4 E 803 22.212 -13.850 95.563 1.00 58.79 O HETATM 1803 O3 SO4 E 803 24.073 -13.898 93.814 1.00 56.51 O HETATM 1804 O4 SO4 E 803 21.795 -12.626 93.322 1.00 57.93 O HETATM 1805 O HOH E 401 12.266 -8.813 67.879 1.00 13.85 O HETATM 1806 O HOH E 402 26.536 -14.191 78.293 1.00 21.82 O HETATM 1807 O HOH E 403 24.614 -11.924 78.726 1.00 20.32 O HETATM 1808 O HOH E 404 21.916 -6.125 72.101 1.00 13.74 O HETATM 1809 O HOH E 405 21.808 -8.592 88.543 1.00 8.53 O HETATM 1810 O HOH E 407 17.453 -8.354 90.430 1.00 13.72 O HETATM 1811 O HOH E 410 40.905 -6.449 75.987 1.00 16.41 O HETATM 1812 O HOH E 411 24.619 -17.765 83.448 1.00 22.32 O HETATM 1813 O HOH E 412 22.794 11.844 74.819 1.00 16.32 O HETATM 1814 O HOH E 413 16.667 9.160 65.070 1.00 8.74 O HETATM 1815 O HOH E 415 12.844 1.171 71.544 1.00 10.31 O HETATM 1816 O HOH E 416 10.599 5.508 80.195 1.00 25.28 O HETATM 1817 O HOH E 417 13.462 -7.320 79.441 1.00 21.43 O HETATM 1818 O HOH E 418 17.474 -15.323 77.647 1.00 27.67 O HETATM 1819 O HOH E 419 23.374 -19.395 81.102 1.00 39.44 O HETATM 1820 O HOH E 420 20.069 -3.663 79.048 1.00 11.27 O HETATM 1821 O HOH E 421 25.369 -0.152 76.325 1.00 13.18 O HETATM 1822 O HOH E 423 29.306 14.195 71.259 1.00 28.84 O HETATM 1823 O HOH E 426 6.827 4.864 74.805 1.00 26.32 O HETATM 1824 O HOH E 427 11.496 -14.879 82.221 1.00 17.56 O HETATM 1825 O HOH E 428 17.506 9.954 59.056 1.00 34.94 O HETATM 1826 O HOH E 430 -0.886 1.647 66.719 1.00 40.79 O HETATM 1827 O HOH E 432 44.795 14.256 69.144 1.00 27.85 O HETATM 1828 O HOH E 433 10.699 -16.061 73.995 1.00 28.18 O HETATM 1829 O HOH E 434 18.881 -12.852 68.501 1.00 35.01 O HETATM 1830 O HOH E 435 28.217 -10.786 79.492 1.00 9.25 O HETATM 1831 O HOH E 437 24.375 9.984 87.476 1.00 20.52 O HETATM 1832 O HOH E 438 25.289 -10.554 82.025 1.00 7.39 O HETATM 1833 O HOH E 439 22.308 -12.098 88.732 1.00 16.97 O HETATM 1834 O HOH E 440 32.175 -21.173 82.969 1.00 33.31 O HETATM 1835 O HOH E 442 40.961 -1.947 87.605 1.00 35.48 O HETATM 1836 O HOH E 443 42.610 1.780 88.561 1.00 23.65 O HETATM 1837 O HOH E 445 17.782 17.203 87.178 1.00 30.41 O HETATM 1838 O HOH E 446 20.702 10.293 75.691 1.00 23.31 O HETATM 1839 O HOH E 449 36.382 0.837 67.880 1.00 23.28 O HETATM 1840 O HOH E 450 24.104 6.457 64.585 1.00 29.28 O HETATM 1841 O HOH E 452 18.995 -4.570 81.353 1.00 3.50 O HETATM 1842 O HOH E 454 43.833 10.849 74.662 1.00 31.29 O HETATM 1843 O HOH E 455 10.408 9.512 58.383 1.00 27.61 O HETATM 1844 O HOH E 456 19.742 14.382 65.915 1.00 30.69 O HETATM 1845 O HOH E 457 9.482 1.658 69.972 1.00 23.87 O HETATM 1846 O HOH E 458 7.449 3.072 71.660 1.00 23.77 O HETATM 1847 O HOH E 459 7.077 10.814 65.042 1.00 22.38 O HETATM 1848 O HOH E 460 9.940 -8.785 75.807 1.00 29.88 O HETATM 1849 O HOH E 461 40.488 -19.186 69.218 1.00 39.80 O HETATM 1850 O HOH E 463 17.295 -18.182 78.289 1.00 26.36 O HETATM 1851 O HOH E 464 19.563 -21.142 73.740 1.00 40.91 O HETATM 1852 O HOH E 469 30.067 3.173 91.368 1.00 27.73 O HETATM 1853 O HOH E 470 23.253 -14.930 88.577 1.00 13.55 O HETATM 1854 O HOH E 472 29.512 -13.855 94.489 1.00 19.85 O HETATM 1855 O HOH E 473 37.340 1.774 94.195 1.00 40.80 O HETATM 1856 O HOH E 474 19.503 22.353 82.971 1.00 36.19 O HETATM 1857 O HOH E 475 36.014 3.111 66.526 1.00 30.28 O HETATM 1858 O HOH E 477 29.728 -3.412 60.617 1.00 20.87 O HETATM 1859 O HOH E 479 19.226 -6.071 57.962 1.00 41.68 O HETATM 1860 O HOH E 480 12.463 -7.768 62.516 1.00 28.90 O HETATM 1861 O HOH E 481 8.706 -8.353 88.668 1.00 30.83 O HETATM 1862 O HOH E 482 22.290 -16.497 95.545 1.00 31.59 O HETATM 1863 O HOH E 484 22.763 19.184 70.285 1.00 36.73 O HETATM 1864 O HOH E 486 -3.741 -3.896 82.274 1.00 31.64 O HETATM 1865 O HOH E 487 32.390 14.110 74.331 1.00 18.12 O HETATM 1866 O HOH E 489 42.223 3.782 73.906 1.00 34.02 O HETATM 1867 O HOH E 490 40.943 12.047 79.976 1.00 13.32 O HETATM 1868 O HOH E 493 6.742 -8.301 76.448 1.00 35.30 O HETATM 1869 O HOH E 496 31.020 -3.031 95.479 1.00 47.95 O HETATM 1870 O HOH E 498 36.422 -1.557 69.084 1.00 40.56 O HETATM 1871 O HOH E 499 24.374 9.273 92.137 1.00 46.31 O HETATM 1872 O HOH E 500 25.150 6.613 95.045 1.00 41.81 O HETATM 1873 O HOH E 501 33.187 -18.159 84.732 1.00 30.61 O HETATM 1874 O HOH E 504 38.039 -8.393 91.468 1.00 23.95 O HETATM 1875 O HOH E 505 23.083 10.262 61.995 1.00 28.23 O HETATM 1876 O HOH E 507 4.505 14.782 69.349 1.00 49.24 O HETATM 1877 O HOH E 509 14.592 -8.370 85.872 1.00 15.35 O HETATM 1878 O HOH E 510 31.751 13.473 71.842 1.00 20.99 O HETATM 1879 O HOH E 511 46.197 -1.439 84.376 1.00 59.03 O HETATM 1880 O HOH E 512 16.996 -21.904 73.976 1.00 44.79 O HETATM 1881 O HOH E 515 37.798 -4.771 72.326 1.00 44.00 O HETATM 1882 O HOH E 518 33.405 -16.898 87.653 1.00 29.34 O HETATM 1883 O HOH E 519 22.639 -16.860 84.960 1.00 21.40 O HETATM 1884 O HOH E 520 14.706 -17.289 89.068 1.00 31.29 O HETATM 1885 O HOH E 522 30.818 -21.808 85.181 1.00 22.11 O HETATM 1886 O HOH E 523 22.107 20.172 77.264 1.00 29.69 O HETATM 1887 O HOH E 527 0.924 2.234 79.229 1.00 41.32 O HETATM 1888 O HOH E 528 9.194 13.554 76.517 1.00 29.72 O HETATM 1889 O HOH E 529 3.466 -5.482 73.445 1.00 27.21 O HETATM 1890 O HOH E 530 9.707 4.816 75.241 1.00 21.42 O HETATM 1891 O HOH E 534 -0.273 10.841 68.966 1.00 42.84 O HETATM 1892 O HOH E 536 47.158 6.696 74.188 1.00 28.99 O HETATM 1893 O HOH E 538 8.985 -16.105 76.575 1.00 58.70 O HETATM 1894 O HOH E 540 26.163 -21.018 77.962 1.00 18.12 O HETATM 1895 O HOH E 541 24.119 -2.244 97.676 1.00 22.15 O HETATM 1896 O HOH E 543 21.684 0.981 95.954 1.00 40.11 O HETATM 1897 O HOH E 544 21.645 -1.493 97.312 1.00 28.89 O HETATM 1898 O HOH E 546 42.241 1.250 81.508 1.00 28.23 O HETATM 1899 O HOH E 548 26.216 10.594 93.461 1.00 31.08 O HETATM 1900 O HOH E 552 26.799 -23.256 82.065 1.00 28.26 O HETATM 1901 O HOH E 553 29.575 15.164 73.797 1.00 29.02 O HETATM 1902 O HOH E 554 15.952 20.332 76.199 1.00 37.43 O HETATM 1903 O HOH E 555 30.854 -8.450 67.897 1.00 42.24 O HETATM 1904 O HOH E 556 33.732 -9.167 64.538 1.00 41.07 O HETATM 1905 O HOH E 557 22.292 -4.072 60.108 1.00 19.67 O HETATM 1906 O HOH E 558 4.133 0.390 88.038 1.00 40.12 O HETATM 1907 O HOH E 559 5.789 1.605 82.720 1.00 44.70 O HETATM 1908 O HOH E 560 2.783 5.433 78.750 1.00 38.15 O HETATM 1909 O HOH E 561 4.745 3.410 79.585 1.00 29.27 O HETATM 1910 O HOH E 562 43.077 7.492 72.024 1.00 27.36 O HETATM 1911 O HOH E 563 38.701 11.688 78.368 1.00 26.95 O HETATM 1912 O HOH E 564 9.163 -15.458 69.932 1.00 23.68 O HETATM 1913 O HOH E 566 14.993 -8.090 88.677 1.00 36.12 O HETATM 1914 O HOH E 568 32.345 -16.674 82.366 1.00 12.37 O HETATM 1915 O HOH E 569 16.790 -17.932 92.916 1.00 32.02 O HETATM 1916 O HOH E 570 35.619 -8.185 92.633 1.00 18.64 O HETATM 1917 O HOH E 571 34.701 -1.834 71.098 1.00 34.66 O HETATM 1918 O HOH E 574 22.187 -5.551 62.861 1.00 43.57 O HETATM 1919 O HOH E 576 -0.441 1.891 76.813 1.00 47.93 O HETATM 1920 O HOH E 578 5.898 18.196 65.929 1.00 37.77 O HETATM 1921 O HOH E 582 -0.560 -1.364 69.533 1.00 25.38 O HETATM 1922 O HOH E 583 27.207 -5.078 57.950 1.00 43.98 O HETATM 1923 O HOH E 584 41.704 9.423 69.795 1.00 28.98 O HETATM 1924 O HOH E 585 42.343 1.535 68.950 1.00 40.38 O HETATM 1925 O HOH E 586 47.429 8.228 79.116 1.00 34.06 O HETATM 1926 O HOH E 589 20.801 -19.757 70.280 1.00 34.11 O HETATM 1927 O HOH E 591 34.106 -15.375 71.773 1.00 49.80 O HETATM 1928 O HOH E 592 19.178 -10.403 90.818 1.00 41.99 O HETATM 1929 O HOH E 595 38.835 -1.838 70.562 1.00 44.97 O HETATM 1930 O HOH E 597 22.588 6.889 92.663 1.00 48.39 O HETATM 1931 O HOH E 598 10.070 -7.053 63.531 1.00 45.31 O HETATM 1932 O HOH E 599 31.685 0.658 93.401 1.00 27.33 O HETATM 1933 O HOH E 603 40.212 5.078 92.245 1.00 46.99 O HETATM 1934 O HOH E 604 27.138 18.760 75.490 1.00 38.30 O HETATM 1935 O HOH E 605 23.170 17.063 85.632 1.00 32.37 O HETATM 1936 O HOH E 606 40.214 -12.314 79.188 1.00 57.29 O HETATM 1937 O HOH E 607 25.932 5.590 67.277 1.00 36.59 O HETATM 1938 O HOH E 610 27.275 15.991 69.122 1.00 34.44 O HETATM 1939 O HOH E 613 27.711 -10.158 63.812 1.00 37.85 O HETATM 1940 O HOH E 628 26.659 18.067 72.308 1.00 33.43 O HETATM 1941 O HOH E 629 34.941 -21.400 74.507 1.00 41.06 O HETATM 1942 O HOH E 632 20.379 4.290 89.168 1.00 29.28 O HETATM 1943 O HOH E 636 29.769 1.578 97.954 1.00 37.88 O HETATM 1944 O HOH E 638 24.243 2.288 96.021 1.00 25.21 O HETATM 1945 O HOH E 639 17.590 -20.410 76.228 1.00 34.55 O HETATM 1946 O HOH E 641 20.891 9.807 64.614 1.00 32.12 O HETATM 1947 O HOH E 642 20.191 -3.230 58.486 1.00 26.75 O HETATM 1948 O HOH E 643 7.623 -11.661 84.983 1.00 42.83 O HETATM 1949 O HOH E 645 -0.139 0.702 72.278 1.00 36.83 O HETATM 1950 O HOH E 648 30.190 8.470 60.127 1.00 36.35 O HETATM 1951 O HOH E 651 26.724 -16.020 70.043 1.00 28.72 O HETATM 1952 O HOH E 654 34.869 -13.899 87.083 1.00 26.82 O HETATM 1953 O HOH E 662 11.980 -11.090 89.081 1.00 36.07 O HETATM 1954 O HOH E 663 10.813 -7.086 66.438 1.00 32.37 O HETATM 1955 O HOH E 666 15.233 4.205 75.325 1.00 32.83 O HETATM 1956 O HOH E 669 34.126 12.478 71.347 1.00 34.69 O HETATM 1957 O HOH E 670 24.194 -18.567 68.599 1.00 42.06 O HETATM 1958 O HOH E 672 43.192 -8.235 85.936 1.00 44.39 O HETATM 1959 O HOH E 673 25.865 -12.783 95.656 1.00 53.99 O HETATM 1960 O HOH E 677 8.331 -10.973 66.497 1.00 39.86 O HETATM 1961 O HOH E 678 17.513 -26.229 72.146 1.00 46.72 O HETATM 1962 O HOH E 680 25.048 -9.555 95.677 1.00 48.53 O HETATM 1963 O HOH E 681 22.145 -14.567 78.286 1.00 34.36 O HETATM 1964 O HOH E 684 21.378 16.325 64.722 1.00 33.80 O HETATM 1965 O HOH E 691 22.124 -14.625 90.901 1.00 20.38 O HETATM 1966 O HOH E 692 15.399 -20.657 92.153 1.00 48.46 O HETATM 1967 O HOH E 693 -4.615 3.927 77.703 1.00 26.23 O HETATM 1968 O HOH E 695 30.389 1.808 62.182 1.00 29.30 O HETATM 1969 O HOH E 696 28.028 -11.436 94.934 1.00 26.86 O HETATM 1970 O HOH E 697 24.578 25.183 73.520 1.00 33.02 O HETATM 1971 O HOH E 698 22.638 25.193 68.348 1.00 25.79 O HETATM 1972 O HOH E 699 38.732 -0.478 73.891 1.00 29.14 O HETATM 1973 O HOH E 700 35.452 -5.539 71.194 1.00 38.97 O HETATM 1974 O HOH E 701 45.331 8.698 73.255 1.00 46.71 O HETATM 1975 O HOH E 702 31.203 -10.408 63.874 1.00 45.66 O HETATM 1976 O HOH E 703 2.169 2.057 83.637 1.00 38.50 O HETATM 1977 O HOH I 508 6.582 22.770 75.595 1.00 39.22 O HETATM 1978 O HOH I 525 16.807 16.803 76.091 1.00 24.74 O HETATM 1979 O HOH I 572 5.157 26.108 77.769 1.00 46.71 O HETATM 1980 O HOH I 587 0.187 18.183 88.149 1.00 26.88 O HETATM 1981 O HOH I 649 12.322 11.250 89.622 1.00 41.31 O HETATM 1982 O HOH I 652 21.523 10.690 87.818 1.00 20.89 O HETATM 1983 O HOH I 657 3.258 11.787 82.308 1.00 22.85 O HETATM 1984 O HOH I 676 5.995 16.984 75.709 1.00 46.89 O CONECT 48 1007 CONECT 185 298 CONECT 298 185 CONECT 384 1794 CONECT 397 1794 CONECT 421 1794 CONECT 461 1794 CONECT 811 1521 CONECT 853 1327 CONECT 1007 48 CONECT 1084 1190 CONECT 1190 1084 CONECT 1265 1422 CONECT 1327 853 CONECT 1422 1265 CONECT 1521 811 CONECT 1652 1678 CONECT 1658 1770 CONECT 1678 1652 CONECT 1695 1754 CONECT 1754 1695 CONECT 1770 1658 CONECT 1794 384 397 421 461 CONECT 1794 1853 1883 CONECT 1795 1796 1797 1798 1799 CONECT 1796 1795 CONECT 1797 1795 CONECT 1798 1795 CONECT 1799 1795 CONECT 1800 1801 1802 1803 1804 CONECT 1801 1800 CONECT 1802 1800 CONECT 1803 1800 CONECT 1804 1800 CONECT 1853 1794 CONECT 1883 1794 MASTER 277 0 3 3 18 0 13 6 1982 2 36 20 END
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Related entries of code: 1g9i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1smf
RCSB PDB
PDBbind
22aa, >1SMF_2|Chain... at 95%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1g9i
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
bovine beta-trypsin
Ligand Name
BOWMAN-BIRK TYPE TRYPSIN INHIBITOR, SPC1
EC.Number
E.C.3.4.21.4
Resolution
2.2(Å)
Affinity (Kd/Ki/IC50)
Kd=0.12uM
Release Year
2000
Protein/NA Sequence
Check fasta file
Primary Reference
(2001) Biochim.Biophys.Acta Vol. 1546: pp. 98-106
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P01062
P00760
Entrez Gene ID
NCBI Entrez Gene ID:
615026
780933
ASD
Information of known allosteric effects of PDB entries
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