Browse entries in the PDBbind-CN Database
HEADER COMPLEX (PROTEINASE/INHIBITOR) 27-SEP-82 2TGP TITLE THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS TITLE 2 IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRYPSINOGEN; COMPND 3 CHAIN: Z; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: TRYPSIN INHIBITOR; COMPND 7 CHAIN: I; COMPND 8 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 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 8 ORGANISM_COMMON: CATTLE; SOURCE 9 ORGANISM_TAXID: 9913 KEYWDS COMPLEX (PROTEINASE/INHIBITOR) EXPDTA X-RAY DIFFRACTION AUTHOR R.HUBER,W.BODE,J.DEISENHOFER,P.SCHWAGER REVDAT 7 24-FEB-09 2TGP 1 VERSN REVDAT 6 14-MAR-85 2TGP 3 SEQRES ATOM REVDAT 5 23-FEB-84 2TGP 1 JRNL REVDAT 4 31-JAN-84 2TGP 1 REMARK REVDAT 3 30-SEP-83 2TGP 1 REVDAT REVDAT 2 07-MAR-83 2TGP 1 COMPND REVDAT 1 18-JAN-83 2TGP 0 SPRSDE 18-JAN-83 2TGP 1TGP JRNL AUTH M.MARQUART,J.WALTER,J.DEISENHOFER,W.BODE,R.HUBER JRNL TITL THE GEOMETRY OF THE REACTIVE SITE AND OF THE JRNL TITL 2 PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS JRNL TITL 3 COMPLEXES WITH INHIBITORS JRNL REF ACTA CRYSTALLOGR.,SECT.B V. 39 480 1983 JRNL REFN ISSN 0108-7681 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH W.BODE REMARK 1 TITL THE TRANSITION OF BOVINE TRYPSINOGEN TO A REMARK 1 TITL 2 TRYPSIN-LIKE STATE UPON STRONG LIGAND BINDING. II. REMARK 1 TITL 3 THE BINDING OF THE PANCREATIC TRYPSIN INHIBITOR REMARK 1 TITL 4 AND OF ISOLEUCINE-VALINE AND OF SEQUENTIALLY REMARK 1 TITL 5 RELATED PEPTIDES TO TRYPSINOGEN AND TO REMARK 1 TITL 6 P-GUANIDINOBENZOATE-TRYPSINOGEN REMARK 1 REF J.MOL.BIOL. V. 127 357 1979 REMARK 1 REFN ISSN 0022-2836 REMARK 1 REFERENCE 2 REMARK 1 AUTH W.BODE,P.SCHWAGER,R.HUBER REMARK 1 TITL THE TRANSITION OF BOVINE TRYPSINOGEN TO A REMARK 1 TITL 2 TRYPSIN-LIKE STATE UPON STRONG LIGAND BINDING. THE REMARK 1 TITL 3 REFINED CRYSTAL STRUCTURES OF THE BOVINE REMARK 1 TITL 4 TRYPSINOGEN-PANCREATIC TRYPSIN INHIBITOR COMPLEX REMARK 1 TITL 5 AND OF ITS TERNARY COMPLEX WITH ILE-VAL AT 1.9 REMARK 1 TITL 6 ANGSTROMS RESOLUTION REMARK 1 REF J.MOL.BIOL. V. 118 99 1978 REMARK 1 REFN ISSN 0022-2836 REMARK 1 REFERENCE 3 REMARK 1 AUTH R.HUBER,W.BODE REMARK 1 TITL STRUCTURAL BASIS OF THE ACTIVATION AND ACTION OF REMARK 1 TITL 2 TRYPSIN REMARK 1 REF ACC.CHEM.RES. V. 11 114 1978 REMARK 1 REFN ISSN 0001-4842 REMARK 1 REFERENCE 4 REMARK 1 AUTH R.HUBER,W.BODE,D.KUKLA,U.KOHL,C.A.RYAN REMARK 1 TITL THE STRUCTURE OF THE COMPLEX FORMED BY BOVINE REMARK 1 TITL 2 TRYPSIN AND BOVINE PANCREATIC TRYPSIN INHIBITOR. REMARK 1 TITL 3 III. STRUCTURE OF THE ANHYDRO-TRYPSIN-INHIBITOR REMARK 1 TITL 4 COMPLEX REMARK 1 REF BIOPHYS.STRUCT.MECH. V. 1 189 1975 REMARK 1 REFN ISSN 0340-1057 REMARK 1 REFERENCE 5 REMARK 1 AUTH R.HUBER,D.KUKLA,W.BODE,P.SCHWAGER,K.BARTELS, REMARK 1 AUTH 2 J.DEISENHOFER,W.STEIGEMANN REMARK 1 TITL STRUCTURE OF THE COMPLEX FORMED BY BOVINE TRYPSIN REMARK 1 TITL 2 AND BOVINE PANCREATIC TRYPSIN INHIBITOR. II. REMARK 1 TITL 3 CRYSTALLOGRAPHIC REFINEMENT AT 1.9 ANGSTROMS REMARK 1 TITL 4 RESOLUTION REMARK 1 REF J.MOL.BIOL. V. 89 73 1974 REMARK 1 REFN ISSN 0022-2836 REMARK 1 REFERENCE 6 REMARK 1 EDIT M.O.DAYHOFF REMARK 1 REF ATLAS OF PROTEIN SEQUENCE V. 5 105 1972 REMARK 1 REF 2 AND STRUCTURE (DATA SECTION) REMARK 1 PUBL NATIONAL BIOMEDICAL RESEARCH FOUNDATION, SILVER REMARK 1 PUBL 2 SPRING,MD. REMARK 1 REFN REMARK 1 REFERENCE 7 REMARK 1 EDIT M.O.DAYHOFF REMARK 1 REF ATLAS OF PROTEIN SEQUENCE V. 5 88 1973 REMARK 1 REF 2 AND STRUCTURE,SUPPLEMENT 1 REMARK 1 PUBL NATIONAL BIOMEDICAL RESEARCH FOUNDATION, SILVER REMARK 1 PUBL 2 SPRING,MD. REMARK 1 REFN ISSN 0-912466-04-9 REMARK 2 REMARK 2 RESOLUTION. 1.90 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.90 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 6.80 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL 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 : NULL REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING SET) : 0.200 REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL 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) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL 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 : 2083 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 11 REMARK 3 SOLVENT ATOMS : 138 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 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) : NULL REMARK 3 BOND ANGLES (DEGREES) : NULL REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL 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: THERE IS NO SIGNIFICANT ELECTRON REMARK 3 DENSITY IN THE FINAL FOURIER MAP FOR THE N-TERMINUS OF THE REMARK 3 ZYMOGEN FROM VAL Z 10 THROUGH GLY Z 18 AND THIS DATA ENTRY REMARK 3 CONTAINS NO COORDINATES FOR VAL Z 10 THROUGH LYS Z 15. REMARK 4 REMARK 4 2TGP COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : NULL REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL REMARK 200 WAVELENGTH OR RANGE (A) : NULL REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : NULL REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 62.19 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.25 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 2 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -X,Y,-Z REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z+1/2 REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 8555 X+1/2,-Y+1/2,-Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 37.75000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 42.85000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 61.45000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 37.75000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 42.85000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 61.45000 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 37.75000 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 42.85000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 61.45000 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 37.75000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 42.85000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 61.45000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2, 3, 4 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 1870 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 12160 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -44.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: Z, 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 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: OCTAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 14850 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 41260 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -230.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: Z, 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 350 BIOMT1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 171.40000 REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 3 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT1 4 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 4 0.000000 -1.000000 0.000000 171.40000 REMARK 350 BIOMT3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 3 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 5480 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 22580 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -101.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: Z, 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 350 BIOMT1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 171.40000 REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 4 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 5260 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 22790 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -98.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: Z, 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 350 BIOMT1 2 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 171.40000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH I 700 LIES ON A SPECIAL POSITION. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 VAL Z 10 REMARK 465 ASP Z 11 REMARK 465 ASP Z 12 REMARK 465 ASP Z 13 REMARK 465 ASP Z 14 REMARK 465 LYS Z 15 REMARK 475 REMARK 475 ZERO OCCUPANCY RESIDUES REMARK 475 THE FOLLOWING RESIDUES WERE MODELED WITH ZERO OCCUPANCY. REMARK 475 THE LOCATION AND PROPERTIES OF THESE RESIDUES MAY NOT REMARK 475 BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 475 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE) REMARK 475 M RES C SSEQI REMARK 475 ILE Z 16 REMARK 475 VAL Z 17 REMARK 475 GLY Z 18 REMARK 475 ARG I 1 REMARK 475 PRO I 2 REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 SER Z 88 OG REMARK 480 ASN Z 97 OD1 ND2 REMARK 480 LYS Z 109 CD CE NZ REMARK 480 ARG Z 117 NE CZ NH1 NH2 REMARK 480 GLN Z 135 OE1 NE2 REMARK 480 LYS Z 145 NZ REMARK 480 SER Z 146 OG REMARK 480 SER Z 147 OG REMARK 480 THR Z 149 OG1 CG2 REMARK 480 LYS Z 159 CE NZ REMARK 480 ASP Z 165 OD1 OD2 REMARK 480 SER Z 166 OG REMARK 480 LYS Z 169 NZ REMARK 480 SER Z 170 OG REMARK 480 GLU Z 186 OE1 OE2 REMARK 480 LYS Z 188 CD CE NZ REMARK 480 SER Z 202 OG REMARK 480 LYS Z 204 CE NZ REMARK 480 SER Z 217 OG REMARK 480 GLN Z 221 OE1 NE2 REMARK 480 LYS Z 222 CG CD CE NZ REMARK 480 ASN Z 223 OD1 ND2 REMARK 480 LYS Z 224 CE NZ REMARK 480 LYS Z 230 CE NZ REMARK 480 SER Z 236 OG REMARK 480 LYS Z 239 NZ REMARK 480 ASP I 3 CB CG OD1 OD2 REMARK 480 GLU I 7 CG CD OE1 OE2 REMARK 480 LYS I 26 CG CD CE NZ REMARK 480 LYS I 41 NZ REMARK 480 MET I 52 CG SD CE REMARK 480 GLY I 57 O REMARK 480 ALA I 58 O OXT REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 NZ LYS Z 109 O THR I 54 2575 1.78 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 TRP Z 51 NE1 TRP Z 51 CE2 -0.080 REMARK 500 TYR Z 151 CZ TYR Z 151 OH 0.115 REMARK 500 GLU Z 186 CD GLU Z 186 OE2 0.067 REMARK 500 TRP Z 215 NE1 TRP Z 215 CE2 -0.100 REMARK 500 TRP Z 237 NE1 TRP Z 237 CE2 -0.102 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 THR Z 21 N - CA - CB ANGL. DEV. = -12.7 DEGREES REMARK 500 ARG Z 66 NE - CZ - NH2 ANGL. DEV. = -3.5 DEGREES REMARK 500 ASP Z 165 CB - CG - OD2 ANGL. DEV. = -10.3 DEGREES REMARK 500 ARG I 53 CD - NE - CZ ANGL. DEV. = 11.2 DEGREES REMARK 500 ARG I 53 NE - CZ - NH1 ANGL. DEV. = 5.9 DEGREES REMARK 500 ARG I 53 NE - CZ - NH2 ANGL. DEV. = -4.6 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 VAL Z 27 70.28 -116.06 REMARK 500 ASP Z 71 -69.92 -123.42 REMARK 500 ASN Z 101 40.85 74.53 REMARK 500 ASN Z 115 -133.80 -127.73 REMARK 500 SER Z 150 84.56 -171.47 REMARK 500 SER Z 214 -78.96 -132.72 REMARK 500 PRO I 2 -156.41 -67.91 REMARK 500 ARG I 17 75.87 -111.84 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 PRO I 2 ASP I 3 -149.88 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 GLN Z 30 0.08 SIDE_CHAIN REMARK 500 GLN Z 50 0.08 SIDE_CHAIN REMARK 500 GLU Z 70 0.09 SIDE_CHAIN REMARK 500 ASN Z 95 0.07 SIDE_CHAIN REMARK 500 ASN Z 100 0.08 SIDE_CHAIN REMARK 500 ASN Z 115 0.07 SIDE_CHAIN REMARK 500 TYR Z 151 0.09 SIDE_CHAIN REMARK 500 ASP Z 165 0.10 SIDE_CHAIN REMARK 500 ASN Z 179 0.11 SIDE_CHAIN REMARK 500 GLN Z 192 0.08 SIDE_CHAIN REMARK 500 GLN Z 240 0.08 SIDE_CHAIN REMARK 500 GLU I 7 0.07 SIDE_CHAIN REMARK 500 GLN I 31 0.10 SIDE_CHAIN REMARK 500 ASN I 43 0.10 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 GLY Z 19 14.34 REMARK 500 VAL Z 27 16.40 REMARK 500 GLU Z 70 -10.00 REMARK 500 ASP Z 71 -10.90 REMARK 500 ALA Z 85 -11.87 REMARK 500 ALA Z 112 -11.29 REMARK 500 SER Z 113 12.26 REMARK 500 LEU Z 114 10.57 REMARK 500 SER Z 147 13.20 REMARK 500 VAL Z 154 11.20 REMARK 500 CYS Z 157 11.99 REMARK 500 LEU Z 158 13.83 REMARK 500 LYS Z 159 13.96 REMARK 500 GLY Z 184A 12.45 REMARK 500 GLY Z 193 10.33 REMARK 500 SER Z 195 10.65 REMARK 500 CYS Z 220 -10.62 REMARK 500 ALA Z 221A -15.67 REMARK 500 ASN Z 233 15.31 REMARK 500 VAL Z 235 -11.53 REMARK 500 PRO I 2 14.11 REMARK 500 ASP I 3 -15.44 REMARK 500 LYS I 26 -11.77 REMARK 500 VAL I 34 13.12 REMARK 500 TYR I 35 11.75 REMARK 500 CYS I 55 10.63 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH Z 438 DISTANCE = 5.16 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA Z 462 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU Z 80 OE2 REMARK 620 2 GLU Z 70 OE2 107.9 REMARK 620 3 HOH Z 559 O 99.6 85.4 REMARK 620 4 HOH Z 825 O 86.2 104.5 166.6 REMARK 620 5 ASN Z 72 O 160.4 91.2 86.2 84.6 REMARK 620 6 VAL Z 75 O 91.1 155.4 75.9 92.0 72.0 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 SO4 I 59 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 I 60 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA Z 462 REMARK 999 REMARK 999 SEQUENCE REMARK 999 REMARK 999 THE 229 AMINO ACIDS OF TRYPSINOGEN ARE IDENTIFIED BY THE REMARK 999 RESIDUE NUMBERS OF THE HOMOLOGOUS CHYMOTRYPSINOGEN. REMARK 999 IN THIS COMPLEX THE ZYMOGEN IS GIVEN THE CHAIN INDICATOR Z REMARK 999 AND THE INHIBITOR IS GIVEN THE CHAIN INDICATOR I. A NULL REMARK 999 (BLANK) CHAIN INDICATOR IS ASSIGNED TO THE SULFATES, THE REMARK 999 CALCIUM, AND THE WATER MOLECULES. THE NOMENCLATURE OF THE REMARK 999 WATER MOLECULES IS THAT OF THE DEPOSITORS. DBREF 2TGP Z 10 245 UNP P00760 TRY1_BOVIN 15 243 DBREF 2TGP I 1 58 UNP P00974 BPT1_BOVIN 36 93 SEQRES 1 Z 229 VAL ASP ASP ASP ASP LYS ILE VAL GLY GLY TYR THR CYS SEQRES 2 Z 229 GLY ALA ASN THR VAL PRO TYR GLN VAL SER LEU ASN SER SEQRES 3 Z 229 GLY TYR HIS PHE CYS GLY GLY SER LEU ILE ASN SER GLN SEQRES 4 Z 229 TRP VAL VAL SER ALA ALA HIS CYS TYR LYS SER GLY ILE SEQRES 5 Z 229 GLN VAL ARG LEU GLY GLU ASP ASN ILE ASN VAL VAL GLU SEQRES 6 Z 229 GLY ASN GLU GLN PHE ILE SER ALA SER LYS SER ILE VAL SEQRES 7 Z 229 HIS PRO SER TYR ASN SER ASN THR LEU ASN ASN ASP ILE SEQRES 8 Z 229 MET LEU ILE LYS LEU LYS SER ALA ALA SER LEU ASN SER SEQRES 9 Z 229 ARG VAL ALA SER ILE SER LEU PRO THR SER CYS ALA SER SEQRES 10 Z 229 ALA GLY THR GLN CYS LEU ILE SER GLY TRP GLY ASN THR SEQRES 11 Z 229 LYS SER SER GLY THR SER TYR PRO ASP VAL LEU LYS CYS SEQRES 12 Z 229 LEU LYS ALA PRO ILE LEU SER ASP SER SER CYS LYS SER SEQRES 13 Z 229 ALA TYR PRO GLY GLN ILE THR SER ASN MET PHE CYS ALA SEQRES 14 Z 229 GLY TYR LEU GLU GLY GLY LYS ASP SER CYS GLN GLY ASP SEQRES 15 Z 229 SER GLY GLY PRO VAL VAL CYS SER GLY LYS LEU GLN GLY SEQRES 16 Z 229 ILE VAL SER TRP GLY SER GLY CYS ALA GLN LYS ASN LYS SEQRES 17 Z 229 PRO GLY VAL TYR THR LYS VAL CYS ASN TYR VAL SER TRP SEQRES 18 Z 229 ILE LYS GLN THR ILE ALA SER ASN SEQRES 1 I 58 ARG PRO ASP PHE CYS LEU GLU PRO PRO TYR THR GLY PRO SEQRES 2 I 58 CYS LYS ALA ARG ILE ILE ARG TYR PHE TYR ASN ALA LYS SEQRES 3 I 58 ALA GLY LEU CYS GLN THR PHE VAL TYR GLY GLY CYS ARG SEQRES 4 I 58 ALA LYS ARG ASN ASN PHE LYS SER ALA GLU ASP CYS MET SEQRES 5 I 58 ARG THR CYS GLY GLY ALA HET SO4 I 59 5 HET SO4 I 60 5 HET CA Z 462 1 HETNAM SO4 SULFATE ION HETNAM CA CALCIUM ION FORMUL 3 SO4 2(O4 S 2-) FORMUL 5 CA CA 2+ FORMUL 6 HOH *138(H2 O) HELIX 1 H1 SER Z 164 ILE Z 176 1SNGL ALPHA TURN,REST IRREG. 13 HELIX 2 H2 LYS Z 230 VAL Z 235 5CONTIGUOUS WITH H3 6 HELIX 3 H3 SER Z 236 ASN Z 245 1CONTIGUOUS WITH H2 10 HELIX 4 H4 SER I 47 GLY I 56 1 10 SHEET 1 S1 2 ALA I 16 ALA I 25 0 SHEET 2 S1 2 GLY I 28 GLY I 36 -1 SSBOND 1 CYS Z 22 CYS Z 157 1555 1555 2.01 SSBOND 2 CYS Z 42 CYS Z 58 1555 1555 1.98 SSBOND 3 CYS Z 128 CYS Z 232 1555 1555 2.01 SSBOND 4 CYS Z 136 CYS Z 201 1555 1555 2.05 SSBOND 5 CYS Z 168 CYS Z 182 1555 1555 2.00 SSBOND 6 CYS Z 191 CYS Z 220 1555 1555 2.02 SSBOND 7 CYS I 5 CYS I 55 1555 1555 1.98 SSBOND 8 CYS I 14 CYS I 38 1555 1555 1.96 SSBOND 9 CYS I 30 CYS I 51 1555 1555 1.96 LINK CA CA Z 462 OE2 GLU Z 80 1555 1555 2.17 LINK CA CA Z 462 OE2 GLU Z 70 1555 1555 2.15 LINK CA CA Z 462 O HOH Z 559 1555 1555 2.30 LINK CA CA Z 462 O HOH Z 825 1555 1555 2.05 LINK CA CA Z 462 O ASN Z 72 1555 1555 2.41 LINK CA CA Z 462 O VAL Z 75 1555 1555 2.39 SITE 1 AC1 2 PHE I 4 ARG I 42 SITE 1 AC2 4 ARG I 42 SER Z 86 LYS Z 87 LYS Z 107 SITE 1 AC3 6 GLU Z 70 ASN Z 72 VAL Z 75 GLU Z 80 SITE 2 AC3 6 HOH Z 559 HOH Z 825 CRYST1 75.500 85.700 122.900 90.00 90.00 90.00 I 2 2 2 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.013245 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011669 0.000000 0.00000 SCALE3 0.000000 0.000000 0.008137 0.00000 ATOM 1 N ILE Z 16 31.225 64.919 8.601 0.00 0.00 N ATOM 2 CA ILE Z 16 30.760 64.022 9.668 0.00 0.00 C ATOM 3 C ILE Z 16 29.441 64.476 10.288 0.00 0.00 C ATOM 4 O ILE Z 16 29.407 65.482 11.042 0.00 0.00 O ATOM 5 CB ILE Z 16 31.838 63.901 10.768 0.00 0.00 C ATOM 6 CG1 ILE Z 16 33.191 63.427 10.202 0.00 0.00 C ATOM 7 CG2 ILE Z 16 31.386 63.006 11.939 0.00 0.00 C ATOM 8 CD1 ILE Z 16 33.137 61.963 9.721 0.00 0.00 C ATOM 9 N VAL Z 17 28.390 63.748 9.974 0.00 0.00 N ATOM 10 CA VAL Z 17 27.047 63.988 10.510 0.00 0.00 C ATOM 11 C VAL Z 17 26.707 63.015 11.635 0.00 0.00 C ATOM 12 O VAL Z 17 26.830 61.778 11.444 0.00 0.00 O ATOM 13 CB VAL Z 17 26.001 63.926 9.375 0.00 0.00 C ATOM 14 CG1 VAL Z 17 26.169 62.694 8.465 0.00 0.00 C ATOM 15 CG2 VAL Z 17 24.555 64.087 9.882 0.00 0.00 C ATOM 16 N GLY Z 18 26.605 63.579 12.823 0.00 0.00 N ATOM 17 CA GLY Z 18 26.501 62.862 14.101 0.00 0.00 C ATOM 18 C GLY Z 18 25.528 61.687 14.130 0.00 0.00 C ATOM 19 O GLY Z 18 25.873 60.603 14.666 0.00 0.00 O ATOM 20 N GLY Z 19 24.382 61.876 13.515 1.00 40.69 N ATOM 21 CA GLY Z 19 23.334 60.824 13.375 1.00 40.69 C ATOM 22 C GLY Z 19 23.211 60.085 12.032 1.00 40.69 C ATOM 23 O GLY Z 19 24.229 59.644 11.451 1.00 40.69 O ATOM 24 N TYR Z 20 22.064 59.477 11.815 1.00 26.08 N ATOM 25 CA TYR Z 20 21.917 58.419 10.817 1.00 26.08 C ATOM 26 C TYR Z 20 20.477 58.358 10.331 1.00 26.08 C ATOM 27 O TYR Z 20 19.591 59.078 10.829 1.00 26.08 O ATOM 28 CB TYR Z 20 22.370 56.986 11.324 1.00 26.08 C ATOM 29 CG TYR Z 20 21.635 56.412 12.552 1.00 28.00 C ATOM 30 CD1 TYR Z 20 20.600 55.497 12.417 1.00 28.00 C ATOM 31 CD2 TYR Z 20 22.024 56.828 13.808 1.00 28.00 C ATOM 32 CE1 TYR Z 20 19.912 55.047 13.557 1.00 28.00 C ATOM 33 CE2 TYR Z 20 21.354 56.401 14.937 1.00 28.00 C ATOM 34 CZ TYR Z 20 20.294 55.522 14.824 1.00 28.00 C ATOM 35 OH TYR Z 20 19.542 55.178 16.006 1.00 28.00 O ATOM 36 N THR Z 21 20.285 57.749 9.241 1.00 29.56 N ATOM 37 CA THR Z 21 18.963 57.719 8.648 1.00 29.56 C ATOM 38 C THR Z 21 18.209 56.574 9.296 1.00 29.56 C ATOM 39 O THR Z 21 18.761 55.461 9.284 1.00 29.56 O ATOM 40 CB THR Z 21 19.377 57.314 7.259 1.00 29.56 C ATOM 41 OG1 THR Z 21 20.054 58.448 6.727 1.00 35.58 O ATOM 42 CG2 THR Z 21 18.280 56.733 6.365 1.00 35.58 C ATOM 43 N CYS Z 22 17.217 56.840 10.086 1.00 23.86 N ATOM 44 CA CYS Z 22 16.665 55.727 10.884 1.00 23.86 C ATOM 45 C CYS Z 22 16.238 54.537 10.067 1.00 23.86 C ATOM 46 O CYS Z 22 16.094 53.413 10.618 1.00 23.86 O ATOM 47 CB CYS Z 22 15.368 56.177 11.520 1.00 23.86 C ATOM 48 SG CYS Z 22 15.478 57.800 12.171 1.00 18.42 S ATOM 49 N GLY Z 23 15.821 54.853 8.852 1.00 30.80 N ATOM 50 CA GLY Z 23 15.169 53.875 7.966 1.00 30.80 C ATOM 51 C GLY Z 23 13.653 54.117 7.913 1.00 30.80 C ATOM 52 O GLY Z 23 13.074 54.597 8.918 1.00 30.80 O ATOM 53 N ALA Z 24 13.012 53.803 6.801 1.00 28.72 N ATOM 54 CA ALA Z 24 11.572 54.043 6.696 1.00 28.72 C ATOM 55 C ALA Z 24 10.671 53.337 7.716 1.00 28.72 C ATOM 56 O ALA Z 24 10.678 52.084 7.908 1.00 28.72 O ATOM 57 CB ALA Z 24 11.064 53.819 5.268 1.00 28.72 C ATOM 58 N ASN Z 25 9.896 54.211 8.283 1.00 22.12 N ATOM 59 CA ASN Z 25 8.894 53.966 9.307 1.00 22.12 C ATOM 60 C ASN Z 25 9.448 53.186 10.490 1.00 22.12 C ATOM 61 O ASN Z 25 8.747 52.260 10.942 1.00 22.12 O ATOM 62 CB ASN Z 25 7.753 53.099 8.729 1.00 22.12 C ATOM 63 CG ASN Z 25 7.121 53.806 7.551 1.00 19.17 C ATOM 64 OD1 ASN Z 25 6.565 54.886 7.792 1.00 19.17 O ATOM 65 ND2 ASN Z 25 7.362 53.337 6.314 1.00 19.17 N ATOM 66 N THR Z 26 10.598 53.498 11.021 1.00 22.91 N ATOM 67 CA THR Z 26 11.072 52.732 12.211 1.00 22.91 C ATOM 68 C THR Z 26 10.919 53.543 13.489 1.00 22.91 C ATOM 69 O THR Z 26 11.088 52.977 14.586 1.00 22.91 O ATOM 70 CB THR Z 26 12.571 52.453 12.041 1.00 22.91 C ATOM 71 OG1 THR Z 26 13.262 53.724 11.962 1.00 30.05 O ATOM 72 CG2 THR Z 26 12.829 51.669 10.749 1.00 30.05 C ATOM 73 N VAL Z 27 10.529 54.812 13.379 1.00 16.47 N ATOM 74 CA VAL Z 27 10.118 55.603 14.559 1.00 16.47 C ATOM 75 C VAL Z 27 8.648 55.968 14.400 1.00 16.47 C ATOM 76 O VAL Z 27 8.447 56.943 13.660 1.00 16.47 O ATOM 77 CB VAL Z 27 10.964 56.884 14.604 1.00 16.47 C ATOM 78 CG1 VAL Z 27 10.887 57.583 15.949 1.00 15.79 C ATOM 79 CG2 VAL Z 27 12.436 56.498 14.363 1.00 15.79 C ATOM 80 N PRO Z 28 7.753 54.967 14.517 1.00 20.40 N ATOM 81 CA PRO Z 28 6.359 55.077 14.029 1.00 20.40 C ATOM 82 C PRO Z 28 5.494 56.083 14.786 1.00 20.40 C ATOM 83 O PRO Z 28 4.532 56.601 14.174 1.00 20.40 O ATOM 84 CB PRO Z 28 5.730 53.685 14.147 1.00 20.40 C ATOM 85 CG PRO Z 28 6.724 52.824 14.912 1.00 18.22 C ATOM 86 CD PRO Z 28 7.975 53.675 15.159 1.00 18.22 C ATOM 87 N TYR Z 29 5.966 56.549 15.935 1.00 11.74 N ATOM 88 CA TYR Z 29 5.370 57.667 16.701 1.00 11.74 C ATOM 89 C TYR Z 29 5.821 59.082 16.277 1.00 11.74 C ATOM 90 O TYR Z 29 5.337 60.052 16.892 1.00 11.74 O ATOM 91 CB TYR Z 29 5.576 57.430 18.193 1.00 11.74 C ATOM 92 CG TYR Z 29 7.062 57.196 18.521 1.00 22.62 C ATOM 93 CD1 TYR Z 29 7.887 58.281 18.635 1.00 22.62 C ATOM 94 CD2 TYR Z 29 7.581 55.940 18.642 1.00 22.62 C ATOM 95 CE1 TYR Z 29 9.218 58.141 18.882 1.00 22.62 C ATOM 96 CE2 TYR Z 29 8.948 55.788 18.897 1.00 22.62 C ATOM 97 CZ TYR Z 29 9.748 56.889 19.037 1.00 22.62 C ATOM 98 OH TYR Z 29 11.177 56.778 19.096 1.00 22.62 O ATOM 99 N GLN Z 30 6.743 59.232 15.312 1.00 9.39 N ATOM 100 CA GLN Z 30 7.277 60.560 14.934 1.00 9.39 C ATOM 101 C GLN Z 30 6.284 61.116 13.937 1.00 9.39 C ATOM 102 O GLN Z 30 5.967 60.374 12.971 1.00 9.39 O ATOM 103 CB GLN Z 30 8.622 60.351 14.189 1.00 9.39 C ATOM 104 CG GLN Z 30 9.267 61.510 13.381 1.00 10.92 C ATOM 105 CD GLN Z 30 10.027 62.461 14.287 1.00 10.92 C ATOM 106 OE1 GLN Z 30 9.804 63.695 14.322 1.00 10.92 O ATOM 107 NE2 GLN Z 30 10.473 61.850 15.317 1.00 10.92 N ATOM 108 N VAL Z 31 5.915 62.365 14.189 1.00 14.41 N ATOM 109 CA VAL Z 31 5.104 63.143 13.255 1.00 14.41 C ATOM 110 C VAL Z 31 5.807 64.376 12.702 1.00 14.41 C ATOM 111 O VAL Z 31 6.752 64.868 13.344 1.00 14.41 O ATOM 112 CB VAL Z 31 3.722 63.500 13.853 1.00 14.41 C ATOM 113 CG1 VAL Z 31 3.061 62.294 14.553 1.00 8.06 C ATOM 114 CG2 VAL Z 31 3.693 64.755 14.693 1.00 8.06 C ATOM 115 N SER Z 32 5.332 64.897 11.595 1.00 10.55 N ATOM 116 CA SER Z 32 5.810 66.150 11.055 1.00 10.55 C ATOM 117 C SER Z 32 4.708 67.182 11.141 1.00 10.55 C ATOM 118 O SER Z 32 3.576 66.781 10.815 1.00 10.55 O ATOM 119 CB SER Z 32 5.970 65.866 9.542 1.00 10.55 C ATOM 120 OG SER Z 32 6.350 67.051 8.833 1.00 10.80 O ATOM 121 N LEU Z 33 4.959 68.346 11.711 1.00 15.36 N ATOM 122 CA LEU Z 33 3.929 69.350 11.739 1.00 15.36 C ATOM 123 C LEU Z 33 4.165 70.168 10.494 1.00 15.36 C ATOM 124 O LEU Z 33 5.353 70.316 10.156 1.00 15.36 O ATOM 125 CB LEU Z 33 3.996 70.254 12.968 1.00 15.36 C ATOM 126 CG LEU Z 33 3.779 69.545 14.312 1.00 5.00 C ATOM 127 CD1 LEU Z 33 3.687 70.629 15.385 1.00 5.00 C ATOM 128 CD2 LEU Z 33 2.586 68.606 14.319 1.00 5.00 C ATOM 129 N ASN Z 34 3.159 70.407 9.683 1.00 12.14 N ATOM 130 CA ASN Z 34 3.237 71.106 8.381 1.00 12.14 C ATOM 131 C ASN Z 34 2.247 72.279 8.322 1.00 12.14 C ATOM 132 O ASN Z 34 1.033 72.167 8.635 1.00 12.14 O ATOM 133 CB ASN Z 34 2.818 70.040 7.350 1.00 12.14 C ATOM 134 CG ASN Z 34 2.959 70.534 5.919 1.00 14.33 C ATOM 135 OD1 ASN Z 34 2.234 71.462 5.469 1.00 14.33 O ATOM 136 ND2 ASN Z 34 3.841 69.879 5.202 1.00 14.33 N ATOM 137 N SER Z 37 2.705 73.339 7.784 1.00 17.75 N ATOM 138 CA SER Z 37 1.911 74.533 7.505 1.00 17.75 C ATOM 139 C SER Z 37 2.273 74.999 6.101 1.00 17.75 C ATOM 140 O SER Z 37 2.563 76.180 5.829 1.00 17.75 O ATOM 141 CB SER Z 37 2.308 75.527 8.612 1.00 17.75 C ATOM 142 OG SER Z 37 2.309 76.884 8.219 1.00 27.85 O ATOM 143 N GLY Z 38 2.389 74.071 5.201 1.00 12.73 N ATOM 144 CA GLY Z 38 2.833 74.426 3.877 1.00 12.73 C ATOM 145 C GLY Z 38 4.221 73.857 3.588 1.00 12.73 C ATOM 146 O GLY Z 38 4.577 73.647 2.422 1.00 12.73 O ATOM 147 N TYR Z 39 4.916 73.524 4.643 1.00 11.55 N ATOM 148 CA TYR Z 39 6.223 72.897 4.639 1.00 11.55 C ATOM 149 C TYR Z 39 6.482 72.299 6.004 1.00 11.55 C ATOM 150 O TYR Z 39 5.771 72.671 6.965 1.00 11.55 O ATOM 151 CB TYR Z 39 7.287 73.933 4.307 1.00 11.55 C ATOM 152 CG TYR Z 39 7.256 75.162 5.193 1.00 8.49 C ATOM 153 CD1 TYR Z 39 6.421 76.196 4.859 1.00 8.49 C ATOM 154 CD2 TYR Z 39 8.074 75.255 6.294 1.00 8.49 C ATOM 155 CE1 TYR Z 39 6.328 77.325 5.661 1.00 8.49 C ATOM 156 CE2 TYR Z 39 7.991 76.376 7.125 1.00 8.49 C ATOM 157 CZ TYR Z 39 7.089 77.401 6.795 1.00 8.49 C ATOM 158 OH TYR Z 39 6.922 78.550 7.605 1.00 8.49 O ATOM 159 N HIS Z 40 7.443 71.462 6.104 1.00 13.64 N ATOM 160 CA HIS Z 40 7.839 70.999 7.423 1.00 13.64 C ATOM 161 C HIS Z 40 8.457 72.089 8.286 1.00 13.64 C ATOM 162 O HIS Z 40 9.383 72.776 7.813 1.00 13.64 O ATOM 163 CB HIS Z 40 8.772 69.812 7.254 1.00 13.64 C ATOM 164 CG HIS Z 40 9.343 69.422 8.613 1.00 14.16 C ATOM 165 ND1 HIS Z 40 8.686 68.524 9.396 1.00 14.16 N ATOM 166 CD2 HIS Z 40 10.446 69.874 9.256 1.00 14.16 C ATOM 167 CE1 HIS Z 40 9.411 68.436 10.562 1.00 14.16 C ATOM 168 NE2 HIS Z 40 10.513 69.284 10.475 1.00 14.16 N ATOM 169 N PHE Z 41 7.839 72.421 9.408 1.00 11.36 N ATOM 170 CA PHE Z 41 8.412 73.363 10.357 1.00 11.36 C ATOM 171 C PHE Z 41 8.730 72.793 11.739 1.00 11.36 C ATOM 172 O PHE Z 41 9.334 73.567 12.525 1.00 11.36 O ATOM 173 CB PHE Z 41 7.682 74.711 10.566 1.00 11.36 C ATOM 174 CG PHE Z 41 6.336 74.569 11.297 1.00 14.14 C ATOM 175 CD1 PHE Z 41 6.230 74.922 12.608 1.00 14.14 C ATOM 176 CD2 PHE Z 41 5.247 74.087 10.629 1.00 14.14 C ATOM 177 CE1 PHE Z 41 5.039 74.731 13.288 1.00 14.14 C ATOM 178 CE2 PHE Z 41 4.064 73.921 11.295 1.00 14.14 C ATOM 179 CZ PHE Z 41 3.962 74.231 12.616 1.00 14.14 C ATOM 180 N CYS Z 42 8.172 71.659 12.141 1.00 8.42 N ATOM 181 CA CYS Z 42 8.419 71.166 13.508 1.00 8.42 C ATOM 182 C CYS Z 42 8.064 69.697 13.524 1.00 8.42 C ATOM 183 O CYS Z 42 7.367 69.176 12.611 1.00 8.42 O ATOM 184 CB CYS Z 42 7.575 71.789 14.655 1.00 8.42 C ATOM 185 SG CYS Z 42 8.102 73.358 15.460 1.00 11.89 S ATOM 186 N GLY Z 43 8.496 69.043 14.531 1.00 8.48 N ATOM 187 CA GLY Z 43 8.043 67.617 14.631 1.00 8.48 C ATOM 188 C GLY Z 43 7.131 67.451 15.845 1.00 8.48 C ATOM 189 O GLY Z 43 6.670 68.460 16.458 1.00 8.48 O ATOM 190 N GLY Z 44 6.763 66.240 16.107 1.00 8.20 N ATOM 191 CA GLY Z 44 6.009 65.896 17.304 1.00 8.20 C ATOM 192 C GLY Z 44 5.867 64.374 17.399 1.00 8.20 C ATOM 193 O GLY Z 44 6.490 63.675 16.555 1.00 8.20 O ATOM 194 N SER Z 45 5.238 63.915 18.495 1.00 8.78 N ATOM 195 CA SER Z 45 5.064 62.507 18.851 1.00 8.78 C ATOM 196 C SER Z 45 3.588 62.191 19.013 1.00 8.78 C ATOM 197 O SER Z 45 2.959 62.849 19.862 1.00 8.78 O ATOM 198 CB SER Z 45 5.662 62.204 20.268 1.00 8.78 C ATOM 199 OG SER Z 45 7.017 62.500 20.264 1.00 13.57 O ATOM 200 N LEU Z 46 3.169 61.092 18.424 1.00 14.49 N ATOM 201 CA LEU Z 46 1.842 60.501 18.623 1.00 14.49 C ATOM 202 C LEU Z 46 1.733 59.816 19.978 1.00 14.49 C ATOM 203 O LEU Z 46 2.443 58.809 20.241 1.00 14.49 O ATOM 204 CB LEU Z 46 1.600 59.463 17.483 1.00 14.49 C ATOM 205 CG LEU Z 46 0.130 59.119 17.338 1.00 10.05 C ATOM 206 CD1 LEU Z 46 -0.658 60.386 16.938 1.00 10.05 C ATOM 207 CD2 LEU Z 46 -0.023 58.000 16.309 1.00 10.05 C ATOM 208 N ILE Z 47 0.925 60.382 20.876 1.00 25.56 N ATOM 209 CA ILE Z 47 0.706 59.695 22.159 1.00 25.56 C ATOM 210 C ILE Z 47 -0.622 58.920 22.333 1.00 25.56 C ATOM 211 O ILE Z 47 -0.686 57.931 23.122 1.00 25.56 O ATOM 212 CB ILE Z 47 0.896 60.646 23.325 1.00 25.56 C ATOM 213 CG1 ILE Z 47 -0.134 61.776 23.370 1.00 16.70 C ATOM 214 CG2 ILE Z 47 2.340 61.126 23.423 1.00 16.70 C ATOM 215 CD1 ILE Z 47 -0.446 62.160 24.826 1.00 16.70 C ATOM 216 N ASN Z 48 -1.582 59.187 21.449 1.00 19.28 N ATOM 217 CA ASN Z 48 -2.679 58.270 21.161 1.00 19.28 C ATOM 218 C ASN Z 48 -3.228 58.481 19.778 1.00 19.28 C ATOM 219 O ASN Z 48 -2.738 59.422 19.120 1.00 19.28 O ATOM 220 CB ASN Z 48 -3.786 58.145 22.242 1.00 19.28 C ATOM 221 CG ASN Z 48 -4.651 59.383 22.438 1.00 27.71 C ATOM 222 OD1 ASN Z 48 -4.754 59.860 23.585 1.00 27.71 O ATOM 223 ND2 ASN Z 48 -4.941 60.090 21.411 1.00 27.71 N ATOM 224 N SER Z 49 -4.253 57.746 19.424 1.00 23.19 N ATOM 225 CA SER Z 49 -4.882 57.870 18.092 1.00 23.19 C ATOM 226 C SER Z 49 -5.435 59.238 17.664 1.00 23.19 C ATOM 227 O SER Z 49 -5.485 59.478 16.451 1.00 23.19 O ATOM 228 CB SER Z 49 -5.963 56.796 17.939 1.00 23.19 C ATOM 229 OG SER Z 49 -6.821 56.935 19.067 1.00 33.75 O ATOM 230 N GLN Z 50 -5.594 60.181 18.543 1.00 17.38 N ATOM 231 CA GLN Z 50 -6.036 61.553 18.284 1.00 17.38 C ATOM 232 C GLN Z 50 -5.176 62.658 18.859 1.00 17.38 C ATOM 233 O GLN Z 50 -5.612 63.827 18.702 1.00 17.38 O ATOM 234 CB GLN Z 50 -7.423 61.767 18.912 1.00 17.38 C ATOM 235 CG GLN Z 50 -8.477 61.189 17.944 1.00 38.18 C ATOM 236 CD GLN Z 50 -9.861 61.636 18.368 1.00 38.18 C ATOM 237 OE1 GLN Z 50 -10.270 62.718 17.849 1.00 38.18 O ATOM 238 NE2 GLN Z 50 -10.209 61.121 19.547 1.00 38.18 N ATOM 239 N TRP Z 51 -4.179 62.314 19.665 1.00 7.97 N ATOM 240 CA TRP Z 51 -3.444 63.369 20.378 1.00 7.97 C ATOM 241 C TRP Z 51 -1.992 63.383 20.032 1.00 7.97 C ATOM 242 O TRP Z 51 -1.435 62.297 19.804 1.00 7.97 O ATOM 243 CB TRP Z 51 -3.616 63.238 21.877 1.00 7.97 C ATOM 244 CG TRP Z 51 -5.014 63.757 22.270 1.00 14.32 C ATOM 245 CD1 TRP Z 51 -6.203 63.057 22.330 1.00 14.32 C ATOM 246 CD2 TRP Z 51 -5.344 65.096 22.550 1.00 14.32 C ATOM 247 NE1 TRP Z 51 -7.216 63.939 22.683 1.00 14.32 N ATOM 248 CE2 TRP Z 51 -6.726 65.125 22.827 1.00 14.32 C ATOM 249 CE3 TRP Z 51 -4.580 66.256 22.553 1.00 14.32 C ATOM 250 CZ2 TRP Z 51 -7.398 66.304 23.162 1.00 14.32 C ATOM 251 CZ3 TRP Z 51 -5.260 67.453 22.871 1.00 14.32 C ATOM 252 CH2 TRP Z 51 -6.640 67.482 23.175 1.00 14.32 C ATOM 253 N VAL Z 52 -1.438 64.551 19.888 1.00 12.62 N ATOM 254 CA VAL Z 52 -0.002 64.687 19.547 1.00 12.62 C ATOM 255 C VAL Z 52 0.691 65.564 20.589 1.00 12.62 C ATOM 256 O VAL Z 52 0.116 66.580 21.026 1.00 12.62 O ATOM 257 CB VAL Z 52 0.206 65.199 18.060 1.00 12.62 C ATOM 258 CG1 VAL Z 52 1.590 65.853 17.839 1.00 5.42 C ATOM 259 CG2 VAL Z 52 -0.019 64.123 16.988 1.00 5.42 C ATOM 260 N VAL Z 53 1.916 65.246 21.025 1.00 14.40 N ATOM 261 CA VAL Z 53 2.621 66.230 21.872 1.00 14.40 C ATOM 262 C VAL Z 53 3.820 66.891 21.154 1.00 14.40 C ATOM 263 O VAL Z 53 4.492 66.301 20.241 1.00 14.40 O ATOM 264 CB VAL Z 53 2.998 65.562 23.231 1.00 14.40 C ATOM 265 CG1 VAL Z 53 3.861 64.337 22.989 1.00 15.71 C ATOM 266 CG2 VAL Z 53 3.771 66.452 24.190 1.00 15.71 C ATOM 267 N SER Z 54 3.974 68.171 21.407 1.00 10.09 N ATOM 268 CA SER Z 54 4.956 68.960 20.610 1.00 10.09 C ATOM 269 C SER Z 54 5.531 70.069 21.442 1.00 10.09 C ATOM 270 O SER Z 54 5.281 70.005 22.666 1.00 10.09 O ATOM 271 CB SER Z 54 4.403 69.570 19.305 1.00 10.09 C ATOM 272 OG SER Z 54 5.448 70.008 18.417 1.00 10.97 O ATOM 273 N ALA Z 55 6.184 71.042 20.843 1.00 12.24 N ATOM 274 CA ALA Z 55 6.699 72.116 21.719 1.00 12.24 C ATOM 275 C ALA Z 55 5.761 73.302 21.624 1.00 12.24 C ATOM 276 O ALA Z 55 5.139 73.416 20.551 1.00 12.24 O ATOM 277 CB ALA Z 55 8.092 72.584 21.214 1.00 12.24 C ATOM 278 N ALA Z 56 5.684 74.117 22.665 1.00 10.09 N ATOM 279 CA ALA Z 56 4.960 75.340 22.668 1.00 10.09 C ATOM 280 C ALA Z 56 5.483 76.395 21.695 1.00 10.09 C ATOM 281 O ALA Z 56 4.663 77.110 21.082 1.00 10.09 O ATOM 282 CB ALA Z 56 4.873 75.911 24.090 1.00 10.09 C ATOM 283 N HIS Z 57 6.749 76.390 21.333 1.00 15.08 N ATOM 284 CA HIS Z 57 7.200 77.419 20.343 1.00 15.08 C ATOM 285 C HIS Z 57 6.940 77.010 18.901 1.00 15.08 C ATOM 286 O HIS Z 57 7.100 77.820 17.963 1.00 15.08 O ATOM 287 CB HIS Z 57 8.618 77.967 20.615 1.00 15.08 C ATOM 288 CG HIS Z 57 9.658 76.858 20.286 1.00 12.00 C ATOM 289 ND1 HIS Z 57 10.158 75.960 21.244 1.00 12.00 N ATOM 290 CD2 HIS Z 57 10.141 76.513 19.077 1.00 12.00 C ATOM 291 CE1 HIS Z 57 10.963 75.016 20.539 1.00 12.00 C ATOM 292 NE2 HIS Z 57 10.922 75.396 19.180 1.00 12.00 N ATOM 293 N CYS Z 58 6.325 75.813 18.767 1.00 13.76 N ATOM 294 CA CYS Z 58 5.859 75.307 17.499 1.00 13.76 C ATOM 295 C CYS Z 58 4.411 75.691 17.180 1.00 13.76 C ATOM 296 O CYS Z 58 3.906 75.312 16.105 1.00 13.76 O ATOM 297 CB CYS Z 58 5.953 73.787 17.445 1.00 13.76 C ATOM 298 SG CYS Z 58 7.617 73.127 17.367 1.00 10.85 S ATOM 299 N TYR Z 59 3.759 76.409 18.065 1.00 14.58 N ATOM 300 CA TYR Z 59 2.344 76.794 17.876 1.00 14.58 C ATOM 301 C TYR Z 59 2.134 77.663 16.650 1.00 14.58 C ATOM 302 O TYR Z 59 2.793 78.712 16.536 1.00 14.58 O ATOM 303 CB TYR Z 59 1.865 77.550 19.105 1.00 14.58 C ATOM 304 CG TYR Z 59 0.438 78.049 18.888 1.00 30.06 C ATOM 305 CD1 TYR Z 59 0.183 79.317 18.422 1.00 30.06 C ATOM 306 CD2 TYR Z 59 -0.582 77.174 19.079 1.00 30.06 C ATOM 307 CE1 TYR Z 59 -1.110 79.710 18.124 1.00 30.06 C ATOM 308 CE2 TYR Z 59 -1.890 77.565 18.811 1.00 30.06 C ATOM 309 CZ TYR Z 59 -2.148 78.825 18.333 1.00 30.06 C ATOM 310 OH TYR Z 59 -3.508 79.250 18.187 1.00 30.06 O ATOM 311 N LYS Z 60 1.213 77.264 15.742 1.00 13.33 N ATOM 312 CA LYS Z 60 0.908 78.096 14.558 1.00 13.33 C ATOM 313 C LYS Z 60 -0.529 77.880 14.224 1.00 13.33 C ATOM 314 O LYS Z 60 -1.082 76.862 14.696 1.00 13.33 O ATOM 315 CB LYS Z 60 1.615 77.613 13.262 1.00 13.33 C ATOM 316 CG LYS Z 60 3.095 77.964 13.358 1.00 28.29 C ATOM 317 CD LYS Z 60 3.895 77.785 12.070 1.00 28.29 C ATOM 318 CE LYS Z 60 3.507 78.667 10.870 1.00 28.29 C ATOM 319 NZ LYS Z 60 4.516 78.378 9.804 1.00 28.29 N ATOM 320 N SER Z 61 -1.046 78.706 13.347 1.00 26.68 N ATOM 321 CA SER Z 61 -2.409 78.549 12.782 1.00 26.68 C ATOM 322 C SER Z 61 -2.350 77.549 11.667 1.00 26.68 C ATOM 323 O SER Z 61 -1.257 77.414 11.092 1.00 26.68 O ATOM 324 CB SER Z 61 -2.920 79.879 12.150 1.00 26.68 C ATOM 325 OG SER Z 61 -3.254 80.802 13.213 1.00 40.00 O ATOM 326 N GLY Z 62 -3.399 76.829 11.380 1.00 20.35 N ATOM 327 CA GLY Z 62 -3.344 75.987 10.183 1.00 20.35 C ATOM 328 C GLY Z 62 -2.321 74.838 10.148 1.00 20.35 C ATOM 329 O GLY Z 62 -1.755 74.581 9.061 1.00 20.35 O ATOM 330 N ILE Z 63 -2.129 74.139 11.254 1.00 14.41 N ATOM 331 CA ILE Z 63 -1.276 72.945 11.331 1.00 14.41 C ATOM 332 C ILE Z 63 -1.924 71.768 10.656 1.00 14.41 C ATOM 333 O ILE Z 63 -3.059 71.359 10.974 1.00 14.41 O ATOM 334 CB ILE Z 63 -0.795 72.585 12.770 1.00 14.41 C ATOM 335 CG1 ILE Z 63 0.048 73.734 13.364 1.00 13.76 C ATOM 336 CG2 ILE Z 63 -0.138 71.168 12.883 1.00 13.76 C ATOM 337 CD1 ILE Z 63 0.387 73.586 14.870 1.00 13.76 C ATOM 338 N GLN Z 64 -1.183 71.123 9.840 1.00 14.79 N ATOM 339 CA GLN Z 64 -1.538 69.774 9.424 1.00 14.79 C ATOM 340 C GLN Z 64 -0.560 68.752 10.033 1.00 14.79 C ATOM 341 O GLN Z 64 0.671 68.979 9.993 1.00 14.79 O ATOM 342 CB GLN Z 64 -1.463 69.726 7.911 1.00 14.79 C ATOM 343 CG GLN Z 64 -1.786 68.328 7.428 1.00 16.31 C ATOM 344 CD GLN Z 64 -1.957 68.495 5.947 1.00 16.31 C ATOM 345 OE1 GLN Z 64 -3.091 68.259 5.429 1.00 16.31 O ATOM 346 NE2 GLN Z 64 -0.801 68.432 5.338 1.00 16.31 N ATOM 347 N VAL Z 65 -1.038 67.629 10.515 1.00 11.75 N ATOM 348 CA VAL Z 65 -0.162 66.622 11.005 1.00 11.75 C ATOM 349 C VAL Z 65 0.100 65.546 9.966 1.00 11.75 C ATOM 350 O VAL Z 65 -0.833 64.973 9.362 1.00 11.75 O ATOM 351 CB VAL Z 65 -0.722 66.142 12.344 1.00 11.75 C ATOM 352 CG1 VAL Z 65 0.070 65.012 12.966 1.00 11.01 C ATOM 353 CG2 VAL Z 65 -0.941 67.327 13.329 1.00 11.01 C ATOM 354 N ARG Z 66 1.324 65.307 9.678 1.00 14.58 N ATOM 355 CA ARG Z 66 1.663 64.183 8.789 1.00 14.58 C ATOM 356 C ARG Z 66 2.303 62.995 9.486 1.00 14.58 C ATOM 357 O ARG Z 66 3.385 63.170 10.108 1.00 14.58 O ATOM 358 CB ARG Z 66 2.525 64.588 7.588 1.00 14.58 C ATOM 359 CG ARG Z 66 1.997 65.933 7.085 1.00 15.53 C ATOM 360 CD ARG Z 66 2.491 66.188 5.664 1.00 15.53 C ATOM 361 NE ARG Z 66 1.757 67.286 5.031 1.00 15.53 N ATOM 362 CZ ARG Z 66 2.068 67.678 3.824 1.00 15.53 C ATOM 363 NH1 ARG Z 66 3.075 67.163 3.145 1.00 15.53 N ATOM 364 NH2 ARG Z 66 1.186 68.357 3.192 1.00 15.53 N ATOM 365 N LEU Z 67 1.569 61.872 9.391 1.00 14.04 N ATOM 366 CA LEU Z 67 1.796 60.605 10.054 1.00 14.04 C ATOM 367 C LEU Z 67 2.323 59.545 9.100 1.00 14.04 C ATOM 368 O LEU Z 67 1.918 59.577 7.917 1.00 14.04 O ATOM 369 CB LEU Z 67 0.551 60.076 10.796 1.00 14.04 C ATOM 370 CG LEU Z 67 0.104 60.907 12.032 1.00 14.35 C ATOM 371 CD1 LEU Z 67 -0.904 62.020 11.660 1.00 14.35 C ATOM 372 CD2 LEU Z 67 -0.640 59.950 12.962 1.00 14.35 C ATOM 373 N GLY Z 69 3.193 58.636 9.583 1.00 12.11 N ATOM 374 CA GLY Z 69 3.740 57.591 8.688 1.00 12.11 C ATOM 375 C GLY Z 69 4.726 58.146 7.639 1.00 12.11 C ATOM 376 O GLY Z 69 4.851 57.550 6.537 1.00 12.11 O ATOM 377 N GLU Z 70 5.357 59.307 7.859 1.00 14.27 N ATOM 378 CA GLU Z 70 6.318 59.791 6.827 1.00 14.27 C ATOM 379 C GLU Z 70 7.637 59.069 6.982 1.00 14.27 C ATOM 380 O GLU Z 70 8.028 58.931 8.156 1.00 14.27 O ATOM 381 CB GLU Z 70 6.629 61.283 6.972 1.00 14.27 C ATOM 382 CG GLU Z 70 5.396 62.207 6.756 1.00 12.90 C ATOM 383 CD GLU Z 70 5.116 62.365 5.259 1.00 12.90 C ATOM 384 OE1 GLU Z 70 4.737 63.460 4.730 1.00 12.90 O ATOM 385 OE2 GLU Z 70 5.805 61.625 4.557 1.00 12.90 O ATOM 386 N ASP Z 71 8.369 59.015 5.866 1.00 11.42 N ATOM 387 CA ASP Z 71 9.817 58.924 5.855 1.00 11.42 C ATOM 388 C ASP Z 71 10.409 60.044 5.077 1.00 11.42 C ATOM 389 O ASP Z 71 10.686 61.077 5.701 1.00 11.42 O ATOM 390 CB ASP Z 71 10.310 57.685 5.193 1.00 11.42 C ATOM 391 CG ASP Z 71 11.790 57.534 5.532 1.00 31.35 C ATOM 392 OD1 ASP Z 71 12.251 57.907 6.642 1.00 31.35 O ATOM 393 OD2 ASP Z 71 12.535 56.908 4.742 1.00 31.35 O ATOM 394 N ASN Z 72 10.215 59.996 3.772 1.00 14.88 N ATOM 395 CA ASN Z 72 10.565 61.174 2.973 1.00 14.88 C ATOM 396 C ASN Z 72 9.405 62.189 2.945 1.00 14.88 C ATOM 397 O ASN Z 72 8.308 61.814 2.479 1.00 14.88 O ATOM 398 CB ASN Z 72 10.848 60.687 1.523 1.00 14.88 C ATOM 399 CG ASN Z 72 11.429 61.825 0.711 1.00 13.70 C ATOM 400 OD1 ASN Z 72 11.042 63.006 0.813 1.00 13.70 O ATOM 401 ND2 ASN Z 72 12.043 61.490 -0.371 1.00 13.70 N ATOM 402 N ILE Z 73 9.611 63.357 3.513 1.00 16.43 N ATOM 403 CA ILE Z 73 8.596 64.359 3.717 1.00 16.43 C ATOM 404 C ILE Z 73 8.323 65.175 2.444 1.00 16.43 C ATOM 405 O ILE Z 73 7.341 65.956 2.397 1.00 16.43 O ATOM 406 CB ILE Z 73 8.937 65.355 4.838 1.00 16.43 C ATOM 407 CG1 ILE Z 73 10.296 66.026 4.642 1.00 15.06 C ATOM 408 CG2 ILE Z 73 8.610 64.974 6.303 1.00 15.06 C ATOM 409 CD1 ILE Z 73 10.422 67.105 5.723 1.00 15.06 C ATOM 410 N ASN Z 74 9.072 64.896 1.419 1.00 18.84 N ATOM 411 CA ASN Z 74 8.957 65.491 0.102 1.00 18.84 C ATOM 412 C ASN Z 74 8.346 64.527 -0.869 1.00 18.84 C ATOM 413 O ASN Z 74 7.958 65.021 -1.929 1.00 18.84 O ATOM 414 CB ASN Z 74 10.267 65.932 -0.557 1.00 18.84 C ATOM 415 CG ASN Z 74 10.824 67.081 0.264 1.00 26.76 C ATOM 416 OD1 ASN Z 74 10.074 67.990 0.683 1.00 26.76 O ATOM 417 ND2 ASN Z 74 12.078 66.958 0.596 1.00 26.76 N ATOM 418 N VAL Z 75 8.271 63.271 -0.628 1.00 14.76 N ATOM 419 CA VAL Z 75 7.515 62.463 -1.577 1.00 14.76 C ATOM 420 C VAL Z 75 6.493 61.570 -0.861 1.00 14.76 C ATOM 421 O VAL Z 75 6.746 61.051 0.263 1.00 14.76 O ATOM 422 CB VAL Z 75 8.419 61.610 -2.501 1.00 14.76 C ATOM 423 CG1 VAL Z 75 9.836 62.146 -2.624 1.00 19.90 C ATOM 424 CG2 VAL Z 75 8.297 60.096 -2.352 1.00 19.90 C ATOM 425 N VAL Z 76 5.366 61.402 -1.525 1.00 19.94 N ATOM 426 CA VAL Z 76 4.311 60.565 -1.085 1.00 19.94 C ATOM 427 C VAL Z 76 4.629 59.103 -1.351 1.00 19.94 C ATOM 428 O VAL Z 76 4.641 58.670 -2.519 1.00 19.94 O ATOM 429 CB VAL Z 76 2.995 61.022 -1.780 1.00 19.94 C ATOM 430 CG1 VAL Z 76 1.828 60.117 -1.398 1.00 10.23 C ATOM 431 CG2 VAL Z 76 2.614 62.432 -1.307 1.00 10.23 C ATOM 432 N GLU Z 77 4.902 58.367 -0.311 1.00 26.08 N ATOM 433 CA GLU Z 77 5.315 56.949 -0.394 1.00 26.08 C ATOM 434 C GLU Z 77 4.235 55.918 -0.145 1.00 26.08 C ATOM 435 O GLU Z 77 4.477 54.691 -0.307 1.00 26.08 O ATOM 436 CB GLU Z 77 6.537 56.683 0.524 1.00 26.08 C ATOM 437 CG GLU Z 77 7.591 57.757 0.182 1.00 31.61 C ATOM 438 CD GLU Z 77 8.905 57.470 0.862 1.00 31.61 C ATOM 439 OE1 GLU Z 77 9.141 57.956 1.996 1.00 31.61 O ATOM 440 OE2 GLU Z 77 9.839 57.001 0.169 1.00 31.61 O ATOM 441 N GLY Z 78 3.065 56.419 0.185 1.00 21.86 N ATOM 442 CA GLY Z 78 1.848 55.594 0.390 1.00 21.86 C ATOM 443 C GLY Z 78 1.614 55.132 1.815 1.00 21.86 C ATOM 444 O GLY Z 78 0.775 54.221 2.019 1.00 21.86 O ATOM 445 N ASN Z 79 2.396 55.559 2.756 1.00 17.15 N ATOM 446 CA ASN Z 79 2.102 55.118 4.140 1.00 17.15 C ATOM 447 C ASN Z 79 1.579 56.268 4.999 1.00 17.15 C ATOM 448 O ASN Z 79 1.257 56.092 6.202 1.00 17.15 O ATOM 449 CB ASN Z 79 3.220 54.348 4.945 1.00 17.15 C ATOM 450 CG ASN Z 79 3.664 53.077 4.237 1.00 38.86 C ATOM 451 OD1 ASN Z 79 3.198 51.971 4.605 1.00 38.86 O ATOM 452 ND2 ASN Z 79 4.724 53.207 3.477 1.00 38.86 N ATOM 453 N GLU Z 80 1.515 57.429 4.379 1.00 14.61 N ATOM 454 CA GLU Z 80 1.096 58.660 5.045 1.00 14.61 C ATOM 455 C GLU Z 80 -0.373 58.718 5.458 1.00 14.61 C ATOM 456 O GLU Z 80 -1.205 57.971 4.904 1.00 14.61 O ATOM 457 CB GLU Z 80 1.333 59.850 4.096 1.00 14.61 C ATOM 458 CG GLU Z 80 2.811 60.072 3.832 1.00 20.15 C ATOM 459 CD GLU Z 80 3.352 59.294 2.639 1.00 20.15 C ATOM 460 OE1 GLU Z 80 2.714 58.368 2.118 1.00 20.15 O ATOM 461 OE2 GLU Z 80 4.334 59.738 2.016 1.00 20.15 O ATOM 462 N GLN Z 81 -0.677 59.554 6.408 1.00 9.01 N ATOM 463 CA GLN Z 81 -2.051 59.897 6.753 1.00 9.01 C ATOM 464 C GLN Z 81 -1.891 61.355 7.075 1.00 9.01 C ATOM 465 O GLN Z 81 -0.960 61.634 7.846 1.00 9.01 O ATOM 466 CB GLN Z 81 -2.405 59.280 8.080 1.00 9.01 C ATOM 467 CG GLN Z 81 -2.527 57.735 7.907 1.00 17.64 C ATOM 468 CD GLN Z 81 -3.007 56.998 9.159 1.00 17.64 C ATOM 469 OE1 GLN Z 81 -3.810 57.563 9.927 1.00 17.64 O ATOM 470 NE2 GLN Z 81 -2.787 55.685 9.226 1.00 17.64 N ATOM 471 N PHE Z 82 -2.454 62.248 6.330 1.00 13.78 N ATOM 472 CA PHE Z 82 -2.347 63.695 6.637 1.00 13.78 C ATOM 473 C PHE Z 82 -3.657 64.100 7.331 1.00 13.78 C ATOM 474 O PHE Z 82 -4.727 63.862 6.740 1.00 13.78 O ATOM 475 CB PHE Z 82 -2.258 64.477 5.297 1.00 13.78 C ATOM 476 CG PHE Z 82 -0.969 64.316 4.449 1.00 13.49 C ATOM 477 CD1 PHE Z 82 -0.861 64.921 3.231 1.00 13.49 C ATOM 478 CD2 PHE Z 82 0.064 63.516 4.877 1.00 13.49 C ATOM 479 CE1 PHE Z 82 0.231 64.690 2.401 1.00 13.49 C ATOM 480 CE2 PHE Z 82 1.135 63.317 4.062 1.00 13.49 C ATOM 481 CZ PHE Z 82 1.210 63.878 2.814 1.00 13.49 C ATOM 482 N ILE Z 83 -3.648 64.591 8.531 1.00 13.79 N ATOM 483 CA ILE Z 83 -4.832 64.958 9.334 1.00 13.79 C ATOM 484 C ILE Z 83 -4.653 66.333 9.960 1.00 13.79 C ATOM 485 O ILE Z 83 -3.621 66.633 10.596 1.00 13.79 O ATOM 486 CB ILE Z 83 -5.149 63.966 10.479 1.00 13.79 C ATOM 487 CG1 ILE Z 83 -5.058 62.480 10.031 1.00 13.62 C ATOM 488 CG2 ILE Z 83 -6.463 64.272 11.292 1.00 13.62 C ATOM 489 CD1 ILE Z 83 -5.076 61.556 11.265 1.00 13.62 C ATOM 490 N SER Z 84 -5.562 67.217 9.722 1.00 18.39 N ATOM 491 CA SER Z 84 -5.505 68.554 10.327 1.00 18.39 C ATOM 492 C SER Z 84 -5.717 68.475 11.813 1.00 18.39 C ATOM 493 O SER Z 84 -6.335 67.463 12.241 1.00 18.39 O ATOM 494 CB SER Z 84 -6.612 69.421 9.701 1.00 18.39 C ATOM 495 OG SER Z 84 -6.443 69.238 8.293 1.00 33.71 O ATOM 496 N ALA Z 85 -5.127 69.443 12.516 1.00 8.33 N ATOM 497 CA ALA Z 85 -5.385 69.602 13.925 1.00 8.33 C ATOM 498 C ALA Z 85 -6.754 70.236 14.041 1.00 8.33 C ATOM 499 O ALA Z 85 -6.945 71.341 13.469 1.00 8.33 O ATOM 500 CB ALA Z 85 -4.409 70.660 14.493 1.00 8.33 C ATOM 501 N SER Z 86 -7.452 69.818 15.058 1.00 16.32 N ATOM 502 CA SER Z 86 -8.618 70.554 15.560 1.00 16.32 C ATOM 503 C SER Z 86 -8.415 71.519 16.698 1.00 16.32 C ATOM 504 O SER Z 86 -9.145 72.548 16.751 1.00 16.32 O ATOM 505 CB SER Z 86 -9.822 69.672 15.913 1.00 16.32 C ATOM 506 OG SER Z 86 -9.418 68.695 16.845 1.00 30.42 O ATOM 507 N LYS Z 87 -7.467 71.215 17.566 1.00 13.51 N ATOM 508 CA LYS Z 87 -7.151 72.063 18.675 1.00 13.51 C ATOM 509 C LYS Z 87 -5.656 72.044 18.941 1.00 13.51 C ATOM 510 O LYS Z 87 -5.058 70.968 18.744 1.00 13.51 O ATOM 511 CB LYS Z 87 -7.704 71.369 19.923 1.00 13.51 C ATOM 512 CG LYS Z 87 -9.121 71.755 20.254 1.00 35.70 C ATOM 513 CD LYS Z 87 -9.612 70.883 21.396 1.00 35.70 C ATOM 514 CE LYS Z 87 -11.034 71.368 21.794 1.00 35.70 C ATOM 515 NZ LYS Z 87 -11.660 70.476 22.775 1.00 35.70 N ATOM 516 N SER Z 88 -5.142 73.107 19.515 1.00 13.34 N ATOM 517 CA SER Z 88 -3.720 73.247 19.805 1.00 13.34 C ATOM 518 C SER Z 88 -3.623 73.877 21.196 1.00 13.34 C ATOM 519 O SER Z 88 -4.082 75.018 21.398 1.00 13.34 O ATOM 520 CB SER Z 88 -3.082 74.090 18.616 1.00 13.34 C ATOM 521 OG SER Z 88 -1.664 73.920 18.617 0.00 0.00 O ATOM 522 N ILE Z 89 -3.264 73.140 22.215 1.00 14.08 N ATOM 523 CA ILE Z 89 -3.197 73.674 23.578 1.00 14.08 C ATOM 524 C ILE Z 89 -1.776 73.756 24.180 1.00 14.08 C ATOM 525 O ILE Z 89 -1.165 72.718 24.566 1.00 14.08 O ATOM 526 CB ILE Z 89 -4.048 72.754 24.466 1.00 14.08 C ATOM 527 CG1 ILE Z 89 -5.447 72.456 23.948 1.00 14.00 C ATOM 528 CG2 ILE Z 89 -4.092 73.216 25.901 1.00 14.00 C ATOM 529 CD1 ILE Z 89 -5.973 71.210 24.660 1.00 14.00 C ATOM 530 N VAL Z 90 -1.253 74.962 24.166 1.00 21.70 N ATOM 531 CA VAL Z 90 0.088 75.381 24.622 1.00 21.70 C ATOM 532 C VAL Z 90 0.029 75.398 26.146 1.00 21.70 C ATOM 533 O VAL Z 90 -1.062 75.652 26.698 1.00 21.70 O ATOM 534 CB VAL Z 90 0.473 76.795 24.064 1.00 21.70 C ATOM 535 CG1 VAL Z 90 1.475 77.513 24.952 1.00 18.55 C ATOM 536 CG2 VAL Z 90 1.066 76.741 22.672 1.00 18.55 C ATOM 537 N HIS Z 91 1.049 74.983 26.847 1.00 15.86 N ATOM 538 CA HIS Z 91 0.876 74.892 28.301 1.00 15.86 C ATOM 539 C HIS Z 91 0.582 76.241 28.961 1.00 15.86 C ATOM 540 O HIS Z 91 1.156 77.252 28.540 1.00 15.86 O ATOM 541 CB HIS Z 91 2.256 74.425 28.832 1.00 15.86 C ATOM 542 CG HIS Z 91 2.184 74.031 30.311 1.00 6.36 C ATOM 543 ND1 HIS Z 91 2.215 75.011 31.283 1.00 6.36 N ATOM 544 CD2 HIS Z 91 2.070 72.801 30.873 1.00 6.36 C ATOM 545 CE1 HIS Z 91 2.112 74.370 32.503 1.00 6.36 C ATOM 546 NE2 HIS Z 91 1.996 72.973 32.259 1.00 6.36 N ATOM 547 N PRO Z 92 -0.359 76.331 29.846 1.00 20.89 N ATOM 548 CA PRO Z 92 -0.892 77.621 30.363 1.00 20.89 C ATOM 549 C PRO Z 92 0.175 78.505 30.952 1.00 20.89 C ATOM 550 O PRO Z 92 0.068 79.755 31.043 1.00 20.89 O ATOM 551 CB PRO Z 92 -1.815 77.228 31.526 1.00 20.89 C ATOM 552 CG PRO Z 92 -1.993 75.712 31.470 1.00 12.60 C ATOM 553 CD PRO Z 92 -1.091 75.179 30.352 1.00 12.60 C ATOM 554 N SER Z 93 1.209 77.840 31.370 1.00 23.45 N ATOM 555 CA SER Z 93 2.338 78.562 31.930 1.00 23.45 C ATOM 556 C SER Z 93 3.555 78.652 31.008 1.00 23.45 C ATOM 557 O SER Z 93 4.614 79.101 31.482 1.00 23.45 O ATOM 558 CB SER Z 93 2.783 77.837 33.182 1.00 23.45 C ATOM 559 OG SER Z 93 1.862 78.188 34.176 1.00 24.12 O ATOM 560 N TYR Z 94 3.407 78.469 29.718 1.00 14.70 N ATOM 561 CA TYR Z 94 4.601 78.707 28.889 1.00 14.70 C ATOM 562 C TYR Z 94 5.113 80.143 28.959 1.00 14.70 C ATOM 563 O TYR Z 94 4.322 81.100 28.836 1.00 14.70 O ATOM 564 CB TYR Z 94 4.272 78.296 27.458 1.00 14.70 C ATOM 565 CG TYR Z 94 5.301 78.646 26.363 1.00 12.64 C ATOM 566 CD1 TYR Z 94 4.926 79.572 25.409 1.00 12.64 C ATOM 567 CD2 TYR Z 94 6.542 78.076 26.306 1.00 12.64 C ATOM 568 CE1 TYR Z 94 5.794 79.964 24.409 1.00 12.64 C ATOM 569 CE2 TYR Z 94 7.412 78.451 25.283 1.00 12.64 C ATOM 570 CZ TYR Z 94 7.032 79.398 24.343 1.00 12.64 C ATOM 571 OH TYR Z 94 7.919 79.834 23.303 1.00 12.64 O ATOM 572 N ASN Z 95 6.412 80.292 29.191 1.00 20.32 N ATOM 573 CA ASN Z 95 7.074 81.615 29.121 1.00 20.32 C ATOM 574 C ASN Z 95 7.892 81.746 27.854 1.00 20.32 C ATOM 575 O ASN Z 95 8.924 81.042 27.801 1.00 20.32 O ATOM 576 CB ASN Z 95 8.207 81.638 30.160 1.00 20.32 C ATOM 577 CG ASN Z 95 8.663 83.071 30.376 1.00 35.39 C ATOM 578 OD1 ASN Z 95 8.972 83.823 29.424 1.00 35.39 O ATOM 579 ND2 ASN Z 95 8.235 83.551 31.515 1.00 35.39 N ATOM 580 N SER Z 96 7.663 82.756 27.048 1.00 18.95 N ATOM 581 CA SER Z 96 8.322 82.807 25.740 1.00 18.95 C ATOM 582 C SER Z 96 9.677 83.466 25.748 1.00 18.95 C ATOM 583 O SER Z 96 10.383 83.498 24.700 1.00 18.95 O ATOM 584 CB SER Z 96 7.431 83.510 24.679 1.00 18.95 C ATOM 585 OG SER Z 96 7.310 84.895 25.044 1.00 34.83 O ATOM 586 N ASN Z 97 10.034 83.926 26.935 1.00 18.19 N ATOM 587 CA ASN Z 97 11.348 84.487 27.113 1.00 18.19 C ATOM 588 C ASN Z 97 12.248 83.459 27.727 1.00 18.19 C ATOM 589 O ASN Z 97 13.319 83.272 27.112 1.00 18.19 O ATOM 590 CB ASN Z 97 11.373 85.810 27.928 1.00 18.19 C ATOM 591 CG ASN Z 97 10.491 86.897 27.301 1.00 24.72 C ATOM 592 OD1 ASN Z 97 10.626 88.084 27.690 0.00 0.00 O ATOM 593 ND2 ASN Z 97 9.765 86.566 26.250 0.00 0.00 N ATOM 594 N THR Z 98 11.737 82.704 28.705 1.00 13.43 N ATOM 595 CA THR Z 98 12.523 81.677 29.421 1.00 13.43 C ATOM 596 C THR Z 98 12.470 80.298 28.851 1.00 13.43 C ATOM 597 O THR Z 98 13.384 79.482 29.099 1.00 13.43 O ATOM 598 CB THR Z 98 12.334 81.633 30.950 1.00 13.43 C ATOM 599 OG1 THR Z 98 11.131 80.964 31.355 1.00 18.62 O ATOM 600 CG2 THR Z 98 12.311 83.025 31.548 1.00 18.62 C ATOM 601 N LEU Z 99 11.462 80.107 28.066 1.00 17.71 N ATOM 602 CA LEU Z 99 11.270 78.872 27.330 1.00 17.71 C ATOM 603 C LEU Z 99 10.850 77.829 28.344 1.00 17.71 C ATOM 604 O LEU Z 99 10.908 76.615 28.085 1.00 17.71 O ATOM 605 CB LEU Z 99 12.509 78.460 26.473 1.00 17.71 C ATOM 606 CG LEU Z 99 12.870 79.552 25.456 1.00 21.72 C ATOM 607 CD1 LEU Z 99 14.032 79.145 24.521 1.00 21.72 C ATOM 608 CD2 LEU Z 99 11.628 79.894 24.628 1.00 21.72 C ATOM 609 N ASN Z 100 10.433 78.293 29.500 1.00 12.42 N ATOM 610 CA ASN Z 100 10.036 77.301 30.508 1.00 12.42 C ATOM 611 C ASN Z 100 8.618 76.819 30.260 1.00 12.42 C ATOM 612 O ASN Z 100 7.803 77.596 29.715 1.00 12.42 O ATOM 613 CB ASN Z 100 10.072 77.922 31.925 1.00 12.42 C ATOM 614 CG ASN Z 100 9.769 76.848 32.955 1.00 16.66 C ATOM 615 OD1 ASN Z 100 9.461 77.234 34.097 1.00 16.66 O ATOM 616 ND2 ASN Z 100 10.358 75.700 32.754 1.00 16.66 N ATOM 617 N ASN Z 101 8.437 75.567 30.431 1.00 13.52 N ATOM 618 CA ASN Z 101 7.160 74.892 30.202 1.00 13.52 C ATOM 619 C ASN Z 101 6.842 74.720 28.730 1.00 13.52 C ATOM 620 O ASN Z 101 5.720 75.036 28.283 1.00 13.52 O ATOM 621 CB ASN Z 101 5.919 75.486 30.973 1.00 13.52 C ATOM 622 CG ASN Z 101 6.040 75.445 32.505 1.00 24.32 C ATOM 623 OD1 ASN Z 101 6.019 74.359 33.146 1.00 24.32 O ATOM 624 ND2 ASN Z 101 5.996 76.628 33.084 1.00 24.32 N ATOM 625 N ASP Z 102 7.846 74.375 27.948 1.00 20.41 N ATOM 626 CA ASP Z 102 7.724 74.416 26.479 1.00 20.41 C ATOM 627 C ASP Z 102 7.103 73.169 25.887 1.00 20.41 C ATOM 628 O ASP Z 102 7.875 72.297 25.398 1.00 20.41 O ATOM 629 CB ASP Z 102 9.137 74.559 25.877 1.00 20.41 C ATOM 630 CG ASP Z 102 9.129 74.921 24.409 1.00 17.21 C ATOM 631 OD1 ASP Z 102 8.028 75.187 23.860 1.00 17.21 O ATOM 632 OD2 ASP Z 102 10.211 74.921 23.742 1.00 17.21 O ATOM 633 N ILE Z 103 5.804 73.036 26.094 1.00 11.34 N ATOM 634 CA ILE Z 103 5.027 71.813 25.807 1.00 11.34 C ATOM 635 C ILE Z 103 3.630 72.155 25.254 1.00 11.34 C ATOM 636 O ILE Z 103 2.969 73.152 25.646 1.00 11.34 O ATOM 637 CB ILE Z 103 4.958 70.859 27.069 1.00 11.34 C ATOM 638 CG1 ILE Z 103 4.176 69.568 26.720 1.00 8.41 C ATOM 639 CG2 ILE Z 103 4.278 71.629 28.205 1.00 8.41 C ATOM 640 CD1 ILE Z 103 4.655 68.230 27.263 1.00 8.41 C ATOM 641 N MET Z 104 3.224 71.467 24.226 1.00 10.90 N ATOM 642 CA MET Z 104 1.926 71.772 23.629 1.00 10.90 C ATOM 643 C MET Z 104 1.244 70.453 23.282 1.00 10.90 C ATOM 644 O MET Z 104 1.897 69.504 22.764 1.00 10.90 O ATOM 645 CB MET Z 104 2.201 72.505 22.326 1.00 10.90 C ATOM 646 CG MET Z 104 0.968 72.750 21.428 1.00 19.97 C ATOM 647 SD MET Z 104 1.223 73.936 20.102 1.00 19.97 S ATOM 648 CE MET Z 104 2.186 72.928 18.999 1.00 19.97 C ATOM 649 N LEU Z 105 -0.063 70.443 23.352 1.00 14.17 N ATOM 650 CA LEU Z 105 -0.793 69.277 22.796 1.00 14.17 C ATOM 651 C LEU Z 105 -1.723 69.629 21.642 1.00 14.17 C ATOM 652 O LEU Z 105 -2.317 70.727 21.599 1.00 14.17 O ATOM 653 CB LEU Z 105 -1.695 68.823 23.925 1.00 14.17 C ATOM 654 CG LEU Z 105 -0.908 68.152 25.036 1.00 14.92 C ATOM 655 CD1 LEU Z 105 -1.858 67.940 26.197 1.00 14.92 C ATOM 656 CD2 LEU Z 105 -0.493 66.787 24.508 1.00 14.92 C ATOM 657 N ILE Z 106 -1.836 68.713 20.727 1.00 10.60 N ATOM 658 CA ILE Z 106 -2.594 68.974 19.489 1.00 10.60 C ATOM 659 C ILE Z 106 -3.576 67.846 19.283 1.00 10.60 C ATOM 660 O ILE Z 106 -3.205 66.648 19.185 1.00 10.60 O ATOM 661 CB ILE Z 106 -1.647 69.031 18.228 1.00 10.60 C ATOM 662 CG1 ILE Z 106 -0.433 69.980 18.402 1.00 15.61 C ATOM 663 CG2 ILE Z 106 -2.406 69.298 16.891 1.00 15.61 C ATOM 664 CD1 ILE Z 106 0.512 69.860 17.181 1.00 15.61 C ATOM 665 N LYS Z 107 -4.818 68.220 19.154 1.00 10.19 N ATOM 666 CA LYS Z 107 -5.780 67.148 18.928 1.00 10.19 C ATOM 667 C LYS Z 107 -6.058 67.031 17.434 1.00 10.19 C ATOM 668 O LYS Z 107 -6.074 68.089 16.779 1.00 10.19 O ATOM 669 CB LYS Z 107 -7.031 67.639 19.688 1.00 10.19 C ATOM 670 CG LYS Z 107 -8.140 66.644 19.354 1.00 15.48 C ATOM 671 CD LYS Z 107 -9.411 67.056 20.092 1.00 15.48 C ATOM 672 CE LYS Z 107 -10.294 65.806 20.219 1.00 15.48 C ATOM 673 NZ LYS Z 107 -11.498 66.216 20.926 1.00 15.48 N ATOM 674 N LEU Z 108 -6.018 65.841 16.855 1.00 16.83 N ATOM 675 CA LEU Z 108 -6.275 65.692 15.409 1.00 16.83 C ATOM 676 C LEU Z 108 -7.743 65.941 15.096 1.00 16.83 C ATOM 677 O LEU Z 108 -8.554 65.520 15.947 1.00 16.83 O ATOM 678 CB LEU Z 108 -6.011 64.207 14.993 1.00 16.83 C ATOM 679 CG LEU Z 108 -4.560 63.806 15.272 1.00 9.89 C ATOM 680 CD1 LEU Z 108 -4.137 62.432 14.759 1.00 9.89 C ATOM 681 CD2 LEU Z 108 -3.687 64.886 14.681 1.00 9.89 C ATOM 682 N LYS Z 109 -8.088 66.422 13.916 1.00 26.88 N ATOM 683 CA LYS Z 109 -9.485 66.484 13.412 1.00 26.88 C ATOM 684 C LYS Z 109 -10.156 65.128 13.379 1.00 26.88 C ATOM 685 O LYS Z 109 -11.271 65.033 13.930 1.00 26.88 O ATOM 686 CB LYS Z 109 -9.680 67.079 12.009 1.00 26.88 C ATOM 687 CG LYS Z 109 -10.267 68.478 12.100 1.00 28.09 C ATOM 688 CD LYS Z 109 -10.088 69.230 10.769 0.00 0.00 C ATOM 689 CE LYS Z 109 -10.413 70.729 10.898 0.00 0.00 C ATOM 690 NZ LYS Z 109 -10.129 71.414 9.630 0.00 0.00 N ATOM 691 N SER Z 110 -9.485 64.127 12.894 1.00 21.83 N ATOM 692 CA SER Z 110 -9.970 62.747 13.066 1.00 21.83 C ATOM 693 C SER Z 110 -8.917 61.730 13.528 1.00 21.83 C ATOM 694 O SER Z 110 -7.747 62.111 13.702 1.00 21.83 O ATOM 695 CB SER Z 110 -10.618 62.304 11.770 1.00 21.83 C ATOM 696 OG SER Z 110 -9.609 61.888 10.867 1.00 38.56 O ATOM 697 N ALA Z 111 -9.293 60.590 14.044 1.00 14.57 N ATOM 698 CA ALA Z 111 -8.286 59.751 14.742 1.00 14.57 C ATOM 699 C ALA Z 111 -7.450 59.007 13.720 1.00 14.57 C ATOM 700 O ALA Z 111 -7.906 58.744 12.587 1.00 14.57 O ATOM 701 CB ALA Z 111 -9.055 58.658 15.468 1.00 14.57 C ATOM 702 N ALA Z 112 -6.190 58.870 13.941 1.00 17.40 N ATOM 703 CA ALA Z 112 -5.326 58.249 12.945 1.00 17.40 C ATOM 704 C ALA Z 112 -5.713 56.766 12.814 1.00 17.40 C ATOM 705 O ALA Z 112 -6.037 56.167 13.851 1.00 17.40 O ATOM 706 CB ALA Z 112 -3.903 58.387 13.519 1.00 17.40 C ATOM 707 N SER Z 113 -5.377 56.007 11.786 1.00 29.27 N ATOM 708 CA SER Z 113 -5.441 54.569 12.096 1.00 29.27 C ATOM 709 C SER Z 113 -4.126 53.813 12.234 1.00 29.27 C ATOM 710 O SER Z 113 -3.129 54.174 11.582 1.00 29.27 O ATOM 711 CB SER Z 113 -6.279 53.879 11.063 1.00 29.27 C ATOM 712 OG SER Z 113 -5.814 54.468 9.899 1.00 29.13 O ATOM 713 N LEU Z 114 -4.031 53.158 13.362 1.00 19.31 N ATOM 714 CA LEU Z 114 -2.757 52.825 13.969 1.00 19.31 C ATOM 715 C LEU Z 114 -2.287 51.554 13.329 1.00 19.31 C ATOM 716 O LEU Z 114 -3.104 50.648 13.086 1.00 19.31 O ATOM 717 CB LEU Z 114 -2.933 52.504 15.478 1.00 19.31 C ATOM 718 CG LEU Z 114 -3.358 53.699 16.362 1.00 21.76 C ATOM 719 CD1 LEU Z 114 -2.910 53.480 17.823 1.00 21.76 C ATOM 720 CD2 LEU Z 114 -2.766 55.022 15.881 1.00 21.76 C ATOM 721 N ASN Z 115 -1.177 51.548 12.722 1.00 19.57 N ATOM 722 CA ASN Z 115 -0.863 50.260 12.180 1.00 19.57 C ATOM 723 C ASN Z 115 0.539 49.946 12.695 1.00 19.57 C ATOM 724 O ASN Z 115 0.877 50.227 13.888 1.00 19.57 O ATOM 725 CB ASN Z 115 -0.964 50.323 10.645 1.00 19.57 C ATOM 726 CG ASN Z 115 -0.425 51.637 10.088 1.00 31.15 C ATOM 727 OD1 ASN Z 115 0.796 51.894 10.196 1.00 31.15 O ATOM 728 ND2 ASN Z 115 -1.174 52.167 9.122 1.00 31.15 N ATOM 729 N SER Z 116 1.334 49.496 11.786 1.00 27.06 N ATOM 730 CA SER Z 116 2.681 49.179 12.205 1.00 27.06 C ATOM 731 C SER Z 116 3.687 50.206 11.748 1.00 27.06 C ATOM 732 O SER Z 116 4.747 50.289 12.412 1.00 27.06 O ATOM 733 CB SER Z 116 3.118 47.786 11.741 1.00 27.06 C ATOM 734 OG SER Z 116 3.149 47.829 10.315 1.00 40.45 O ATOM 735 N ARG Z 117 3.248 51.115 10.889 1.00 17.85 N ATOM 736 CA ARG Z 117 4.038 52.335 10.502 1.00 17.85 C ATOM 737 C ARG Z 117 3.520 53.575 11.187 1.00 17.85 C ATOM 738 O ARG Z 117 4.236 54.593 11.178 1.00 17.85 O ATOM 739 CB ARG Z 117 3.942 52.593 9.001 1.00 17.85 C ATOM 740 CG ARG Z 117 3.976 51.242 8.253 1.00 30.57 C ATOM 741 CD ARG Z 117 5.194 50.983 7.370 1.00 30.57 C ATOM 742 NE ARG Z 117 4.953 49.819 6.509 0.00 0.00 N ATOM 743 CZ ARG Z 117 5.897 48.992 6.104 0.00 0.00 C ATOM 744 NH1 ARG Z 117 7.154 49.214 6.430 0.00 0.00 N ATOM 745 NH2 ARG Z 117 5.586 47.965 5.339 0.00 0.00 N ATOM 746 N VAL Z 118 2.392 53.454 11.885 1.00 18.38 N ATOM 747 CA VAL Z 118 1.848 54.542 12.676 1.00 18.38 C ATOM 748 C VAL Z 118 1.449 54.127 14.086 1.00 18.38 C ATOM 749 O VAL Z 118 0.499 53.343 14.269 1.00 18.38 O ATOM 750 CB VAL Z 118 0.617 55.169 12.022 1.00 18.38 C ATOM 751 CG1 VAL Z 118 -0.014 56.235 12.947 1.00 20.11 C ATOM 752 CG2 VAL Z 118 0.854 55.720 10.596 1.00 20.11 C ATOM 753 N ALA Z 119 2.247 54.437 15.065 1.00 18.42 N ATOM 754 CA ALA Z 119 1.923 53.875 16.381 1.00 18.42 C ATOM 755 C ALA Z 119 2.225 54.867 17.475 1.00 18.42 C ATOM 756 O ALA Z 119 2.891 55.884 17.204 1.00 18.42 O ATOM 757 CB ALA Z 119 2.781 52.648 16.636 1.00 18.42 C ATOM 758 N SER Z 120 1.785 54.636 18.664 1.00 17.00 N ATOM 759 CA SER Z 120 1.959 55.760 19.555 1.00 17.00 C ATOM 760 C SER Z 120 3.036 55.415 20.565 1.00 17.00 C ATOM 761 O SER Z 120 3.653 54.338 20.399 1.00 17.00 O ATOM 762 CB SER Z 120 0.613 56.052 20.216 1.00 17.00 C ATOM 763 OG SER Z 120 0.466 54.982 21.115 1.00 25.00 O ATOM 764 N ILE Z 121 3.451 56.337 21.372 1.00 15.50 N ATOM 765 CA ILE Z 121 4.581 56.154 22.319 1.00 15.50 C ATOM 766 C ILE Z 121 4.070 56.490 23.710 1.00 15.50 C ATOM 767 O ILE Z 121 3.202 57.390 23.819 1.00 15.50 O ATOM 768 CB ILE Z 121 5.818 57.040 21.978 1.00 15.50 C ATOM 769 CG1 ILE Z 121 7.078 56.683 22.796 1.00 9.77 C ATOM 770 CG2 ILE Z 121 5.672 58.532 22.332 1.00 9.77 C ATOM 771 CD1 ILE Z 121 7.669 55.321 22.436 1.00 9.77 C ATOM 772 N SER Z 122 4.469 55.683 24.643 1.00 16.84 N ATOM 773 CA SER Z 122 4.029 55.639 26.025 1.00 16.84 C ATOM 774 C SER Z 122 4.681 56.742 26.789 1.00 16.84 C ATOM 775 O SER Z 122 5.852 57.093 26.484 1.00 16.84 O ATOM 776 CB SER Z 122 4.424 54.341 26.738 1.00 16.84 C ATOM 777 OG SER Z 122 4.501 53.240 25.829 1.00 39.28 O ATOM 778 N LEU Z 123 3.880 57.328 27.609 1.00 17.74 N ATOM 779 CA LEU Z 123 4.361 58.369 28.479 1.00 17.74 C ATOM 780 C LEU Z 123 5.060 57.683 29.648 1.00 17.74 C ATOM 781 O LEU Z 123 4.716 56.510 29.973 1.00 17.74 O ATOM 782 CB LEU Z 123 3.142 59.051 29.054 1.00 17.74 C ATOM 783 CG LEU Z 123 2.469 60.040 28.103 1.00 24.10 C ATOM 784 CD1 LEU Z 123 1.502 60.865 28.966 1.00 24.10 C ATOM 785 CD2 LEU Z 123 3.457 60.970 27.376 1.00 24.10 C ATOM 786 N PRO Z 124 6.015 58.338 30.286 1.00 30.25 N ATOM 787 CA PRO Z 124 6.750 57.662 31.308 1.00 30.25 C ATOM 788 C PRO Z 124 6.005 57.597 32.653 1.00 30.25 C ATOM 789 O PRO Z 124 5.188 58.494 32.969 1.00 30.25 O ATOM 790 CB PRO Z 124 7.984 58.547 31.507 1.00 30.25 C ATOM 791 CG PRO Z 124 7.632 59.961 31.078 1.00 10.17 C ATOM 792 CD PRO Z 124 6.435 59.744 30.145 1.00 10.17 C ATOM 793 N THR Z 125 6.479 56.728 33.524 1.00 30.76 N ATOM 794 CA THR Z 125 6.093 56.632 34.949 1.00 30.76 C ATOM 795 C THR Z 125 7.164 57.206 35.851 1.00 30.76 C ATOM 796 O THR Z 125 6.835 57.813 36.899 1.00 30.76 O ATOM 797 CB THR Z 125 6.023 55.136 35.265 1.00 30.76 C ATOM 798 OG1 THR Z 125 7.098 54.526 34.520 1.00 37.70 O ATOM 799 CG2 THR Z 125 4.721 54.529 34.710 1.00 37.70 C ATOM 800 N SER Z 127 8.374 57.262 35.356 1.00 29.35 N ATOM 801 CA SER Z 127 9.360 58.065 36.109 1.00 29.35 C ATOM 802 C SER Z 127 10.336 58.896 35.253 1.00 29.35 C ATOM 803 O SER Z 127 10.477 58.649 34.039 1.00 29.35 O ATOM 804 CB SER Z 127 10.059 57.121 37.110 1.00 29.35 C ATOM 805 OG SER Z 127 10.096 55.811 36.505 1.00 37.67 O ATOM 806 N CYS Z 128 11.030 59.827 35.853 1.00 20.35 N ATOM 807 CA CYS Z 128 12.088 60.562 35.201 1.00 20.35 C ATOM 808 C CYS Z 128 13.392 59.809 34.885 1.00 20.35 C ATOM 809 O CYS Z 128 13.923 58.968 35.668 1.00 20.35 O ATOM 810 CB CYS Z 128 12.391 61.760 36.068 1.00 20.35 C ATOM 811 SG CYS Z 128 10.968 62.833 36.316 1.00 22.65 S ATOM 812 N ALA Z 129 13.874 59.945 33.684 1.00 21.08 N ATOM 813 CA ALA Z 129 15.087 59.145 33.400 1.00 21.08 C ATOM 814 C ALA Z 129 16.262 59.719 34.169 1.00 21.08 C ATOM 815 O ALA Z 129 16.305 60.946 34.445 1.00 21.08 O ATOM 816 CB ALA Z 129 15.349 58.942 31.895 1.00 21.08 C ATOM 817 N SER Z 130 17.220 58.911 34.482 1.00 21.75 N ATOM 818 CA SER Z 130 18.419 59.541 35.047 1.00 21.75 C ATOM 819 C SER Z 130 19.518 59.898 34.017 1.00 21.75 C ATOM 820 O SER Z 130 19.622 59.306 32.904 1.00 21.75 O ATOM 821 CB SER Z 130 18.934 58.553 36.102 1.00 21.75 C ATOM 822 OG SER Z 130 18.837 57.247 35.494 1.00 36.69 O ATOM 823 N ALA Z 132 20.489 60.619 34.529 1.00 18.41 N ATOM 824 CA ALA Z 132 21.711 60.948 33.825 1.00 18.41 C ATOM 825 C ALA Z 132 22.417 59.712 33.328 1.00 18.41 C ATOM 826 O ALA Z 132 22.384 58.642 33.969 1.00 18.41 O ATOM 827 CB ALA Z 132 22.735 61.752 34.637 1.00 18.41 C ATOM 828 N GLY Z 133 22.813 59.839 32.141 1.00 14.07 N ATOM 829 CA GLY Z 133 23.437 58.736 31.449 1.00 14.07 C ATOM 830 C GLY Z 133 22.513 57.700 30.865 1.00 14.07 C ATOM 831 O GLY Z 133 23.026 56.720 30.251 1.00 14.07 O ATOM 832 N THR Z 134 21.228 57.991 30.906 1.00 17.75 N ATOM 833 CA THR Z 134 20.299 57.097 30.138 1.00 17.75 C ATOM 834 C THR Z 134 20.426 57.298 28.634 1.00 17.75 C ATOM 835 O THR Z 134 20.610 58.468 28.213 1.00 17.75 O ATOM 836 CB THR Z 134 18.841 57.275 30.560 1.00 17.75 C ATOM 837 OG1 THR Z 134 18.763 57.129 31.978 1.00 24.21 O ATOM 838 CG2 THR Z 134 17.991 56.151 29.980 1.00 24.21 C ATOM 839 N GLN Z 135 20.682 56.257 27.856 1.00 21.94 N ATOM 840 CA GLN Z 135 20.759 56.515 26.412 1.00 21.94 C ATOM 841 C GLN Z 135 19.405 56.588 25.696 1.00 21.94 C ATOM 842 O GLN Z 135 18.518 55.747 25.982 1.00 21.94 O ATOM 843 CB GLN Z 135 21.520 55.425 25.702 1.00 21.94 C ATOM 844 CG GLN Z 135 22.984 55.905 25.568 1.00 33.86 C ATOM 845 CD GLN Z 135 23.383 55.705 24.105 1.00 33.86 C ATOM 846 OE1 GLN Z 135 22.508 55.812 23.209 0.00 0.00 O ATOM 847 NE2 GLN Z 135 24.616 55.287 23.899 0.00 0.00 N ATOM 848 N CYS Z 136 19.221 57.623 24.903 1.00 14.58 N ATOM 849 CA CYS Z 136 17.931 57.940 24.260 1.00 14.58 C ATOM 850 C CYS Z 136 18.085 58.058 22.770 1.00 14.58 C ATOM 851 O CYS Z 136 19.190 58.440 22.326 1.00 14.58 O ATOM 852 CB CYS Z 136 17.456 59.304 24.817 1.00 14.58 C ATOM 853 SG CYS Z 136 17.283 59.207 26.602 1.00 23.62 S ATOM 854 N LEU Z 137 16.989 57.970 22.084 1.00 16.80 N ATOM 855 CA LEU Z 137 16.903 58.177 20.624 1.00 16.80 C ATOM 856 C LEU Z 137 16.201 59.505 20.370 1.00 16.80 C ATOM 857 O LEU Z 137 15.033 59.661 20.821 1.00 16.80 O ATOM 858 CB LEU Z 137 15.991 57.072 20.066 1.00 16.80 C ATOM 859 CG LEU Z 137 15.960 57.116 18.578 1.00 12.53 C ATOM 860 CD1 LEU Z 137 17.401 56.968 18.047 1.00 12.53 C ATOM 861 CD2 LEU Z 137 15.044 56.011 18.027 1.00 12.53 C ATOM 862 N ILE Z 138 16.916 60.412 19.706 1.00 17.83 N ATOM 863 CA ILE Z 138 16.353 61.658 19.210 1.00 17.83 C ATOM 864 C ILE Z 138 16.112 61.639 17.698 1.00 17.83 C ATOM 865 O ILE Z 138 16.918 61.005 16.994 1.00 17.83 O ATOM 866 CB ILE Z 138 17.289 62.794 19.602 1.00 17.83 C ATOM 867 CG1 ILE Z 138 17.608 62.618 21.097 1.00 11.23 C ATOM 868 CG2 ILE Z 138 16.648 64.157 19.267 1.00 11.23 C ATOM 869 CD1 ILE Z 138 18.537 63.697 21.624 1.00 11.23 C ATOM 870 N SER Z 139 14.962 62.064 17.174 1.00 13.97 N ATOM 871 CA SER Z 139 14.650 61.861 15.733 1.00 13.97 C ATOM 872 C SER Z 139 13.990 63.101 15.183 1.00 13.97 C ATOM 873 O SER Z 139 13.547 63.953 16.006 1.00 13.97 O ATOM 874 CB SER Z 139 13.733 60.649 15.496 1.00 13.97 C ATOM 875 OG SER Z 139 12.678 60.687 16.446 1.00 19.28 O ATOM 876 N GLY Z 140 14.082 63.266 13.874 1.00 16.16 N ATOM 877 CA GLY Z 140 13.580 64.542 13.302 1.00 16.16 C ATOM 878 C GLY Z 140 14.003 64.736 11.857 1.00 16.16 C ATOM 879 O GLY Z 140 14.979 64.081 11.428 1.00 16.16 O ATOM 880 N TRP Z 141 13.413 65.709 11.183 1.00 13.79 N ATOM 881 CA TRP Z 141 13.825 66.084 9.809 1.00 13.79 C ATOM 882 C TRP Z 141 14.686 67.343 9.728 1.00 13.79 C ATOM 883 O TRP Z 141 14.614 68.109 8.734 1.00 13.79 O ATOM 884 CB TRP Z 141 12.568 66.365 8.919 1.00 13.79 C ATOM 885 CG TRP Z 141 11.945 65.007 8.577 1.00 10.78 C ATOM 886 CD1 TRP Z 141 12.306 64.147 7.612 1.00 10.78 C ATOM 887 CD2 TRP Z 141 10.864 64.411 9.239 1.00 10.78 C ATOM 888 NE1 TRP Z 141 11.468 63.019 7.633 1.00 10.78 N ATOM 889 CE2 TRP Z 141 10.603 63.199 8.584 1.00 10.78 C ATOM 890 CE3 TRP Z 141 10.110 64.842 10.327 1.00 10.78 C ATOM 891 CZ2 TRP Z 141 9.560 62.362 8.962 1.00 10.78 C ATOM 892 CZ3 TRP Z 141 9.065 63.968 10.709 1.00 10.78 C ATOM 893 CH2 TRP Z 141 8.799 62.774 10.042 1.00 10.78 C ATOM 894 N GLY Z 142 15.337 67.655 10.796 1.00 26.24 N ATOM 895 CA GLY Z 142 16.037 68.917 10.913 1.00 26.24 C ATOM 896 C GLY Z 142 17.443 68.903 10.330 1.00 26.24 C ATOM 897 O GLY Z 142 17.910 67.859 9.827 1.00 26.24 O ATOM 898 N ASN Z 143 17.997 70.078 10.250 1.00 26.27 N ATOM 899 CA ASN Z 143 19.327 70.371 9.718 1.00 26.27 C ATOM 900 C ASN Z 143 20.421 69.413 10.211 1.00 26.27 C ATOM 901 O ASN Z 143 20.519 69.138 11.438 1.00 26.27 O ATOM 902 CB ASN Z 143 19.715 71.799 10.148 1.00 26.27 C ATOM 903 CG ASN Z 143 20.897 72.264 9.281 1.00 33.30 C ATOM 904 OD1 ASN Z 143 21.346 71.534 8.351 1.00 33.30 O ATOM 905 ND2 ASN Z 143 21.340 73.492 9.505 1.00 33.30 N ATOM 906 N THR Z 144 21.055 68.763 9.246 1.00 35.98 N ATOM 907 CA THR Z 144 22.038 67.740 9.541 1.00 35.98 C ATOM 908 C THR Z 144 23.466 68.310 9.635 1.00 35.98 C ATOM 909 O THR Z 144 24.386 67.518 9.922 1.00 35.98 O ATOM 910 CB THR Z 144 21.953 66.604 8.502 1.00 35.98 C ATOM 911 OG1 THR Z 144 22.375 67.071 7.199 1.00 23.46 O ATOM 912 CG2 THR Z 144 20.544 65.958 8.439 1.00 23.46 C ATOM 913 N LYS Z 145 23.641 69.628 9.437 1.00 41.19 N ATOM 914 CA LYS Z 145 24.923 70.389 9.410 1.00 41.19 C ATOM 915 C LYS Z 145 25.107 71.481 10.477 1.00 41.19 C ATOM 916 O LYS Z 145 24.258 72.417 10.602 1.00 41.19 O ATOM 917 CB LYS Z 145 25.169 70.966 7.989 1.00 41.19 C ATOM 918 CG LYS Z 145 25.256 69.827 6.938 1.00 44.48 C ATOM 919 CD LYS Z 145 25.781 70.300 5.560 1.00 44.48 C ATOM 920 CE LYS Z 145 26.517 69.156 4.813 1.00 44.48 C ATOM 921 NZ LYS Z 145 27.514 69.727 3.891 0.00 0.00 N ATOM 922 N SER Z 146 26.133 71.296 11.342 1.00 42.52 N ATOM 923 CA SER Z 146 26.387 72.189 12.538 1.00 42.52 C ATOM 924 C SER Z 146 26.603 73.632 12.143 1.00 42.52 C ATOM 925 O SER Z 146 26.184 74.567 12.870 1.00 42.52 O ATOM 926 CB SER Z 146 27.652 71.876 13.378 1.00 42.52 C ATOM 927 OG SER Z 146 27.705 70.476 13.680 0.00 0.00 O ATOM 928 N SER Z 147 27.381 73.753 11.088 1.00 45.98 N ATOM 929 CA SER Z 147 27.527 75.021 10.413 1.00 45.98 C ATOM 930 C SER Z 147 27.126 74.661 9.014 1.00 45.98 C ATOM 931 O SER Z 147 27.216 73.430 8.758 1.00 45.98 O ATOM 932 CB SER Z 147 28.997 75.468 10.389 1.00 45.98 C ATOM 933 OG SER Z 147 29.441 75.731 11.726 0.00 0.00 O ATOM 934 N GLY Z 148 26.322 75.517 8.423 1.00 52.44 N ATOM 935 CA GLY Z 148 25.601 75.168 7.177 1.00 52.44 C ATOM 936 C GLY Z 148 24.120 74.800 7.316 1.00 52.44 C ATOM 937 O GLY Z 148 23.514 75.000 8.403 1.00 52.44 O ATOM 938 N THR Z 149 23.540 74.590 6.149 1.00 42.07 N ATOM 939 CA THR Z 149 22.110 74.398 5.851 1.00 42.07 C ATOM 940 C THR Z 149 21.977 73.197 4.925 1.00 42.07 C ATOM 941 O THR Z 149 22.691 73.147 3.890 1.00 42.07 O ATOM 942 CB THR Z 149 21.596 75.638 5.089 1.00 42.07 C ATOM 943 OG1 THR Z 149 21.639 76.781 5.955 0.00 0.00 O ATOM 944 CG2 THR Z 149 20.170 75.453 4.542 0.00 0.00 C ATOM 945 N SER Z 150 21.271 72.209 5.416 1.00 41.69 N ATOM 946 CA SER Z 150 21.066 70.870 4.832 1.00 41.69 C ATOM 947 C SER Z 150 20.011 70.062 5.594 1.00 41.69 C ATOM 948 O SER Z 150 20.285 69.121 6.379 1.00 41.69 O ATOM 949 CB SER Z 150 22.364 70.045 4.724 1.00 41.69 C ATOM 950 OG SER Z 150 22.100 68.756 4.123 1.00 47.66 O ATOM 951 N TYR Z 151 18.806 70.333 5.196 1.00 43.30 N ATOM 952 CA TYR Z 151 17.591 69.677 5.660 1.00 43.30 C ATOM 953 C TYR Z 151 17.327 68.436 4.777 1.00 43.30 C ATOM 954 O TYR Z 151 17.181 68.593 3.540 1.00 43.30 O ATOM 955 CB TYR Z 151 16.461 70.779 5.554 1.00 43.30 C ATOM 956 CG TYR Z 151 16.732 72.120 6.311 1.00 39.63 C ATOM 957 CD1 TYR Z 151 16.614 72.134 7.694 1.00 39.63 C ATOM 958 CD2 TYR Z 151 17.008 73.314 5.639 1.00 39.63 C ATOM 959 CE1 TYR Z 151 16.885 73.281 8.446 1.00 39.63 C ATOM 960 CE2 TYR Z 151 17.287 74.500 6.388 1.00 39.63 C ATOM 961 CZ TYR Z 151 17.271 74.462 7.809 1.00 39.63 C ATOM 962 OH TYR Z 151 17.793 75.574 8.651 1.00 39.63 O ATOM 963 N PRO Z 152 17.310 67.222 5.325 1.00 33.62 N ATOM 964 CA PRO Z 152 17.211 65.958 4.546 1.00 33.62 C ATOM 965 C PRO Z 152 15.782 65.602 4.102 1.00 33.62 C ATOM 966 O PRO Z 152 14.746 66.089 4.636 1.00 33.62 O ATOM 967 CB PRO Z 152 17.616 64.834 5.528 1.00 33.62 C ATOM 968 CG PRO Z 152 17.214 65.419 6.908 1.00 22.29 C ATOM 969 CD PRO Z 152 17.298 66.950 6.763 1.00 22.29 C ATOM 970 N ASP Z 153 15.694 64.782 3.111 1.00 27.09 N ATOM 971 CA ASP Z 153 14.393 64.298 2.725 1.00 27.09 C ATOM 972 C ASP Z 153 13.769 63.424 3.838 1.00 27.09 C ATOM 973 O ASP Z 153 12.543 63.492 4.108 1.00 27.09 O ATOM 974 CB ASP Z 153 14.594 63.539 1.388 1.00 27.09 C ATOM 975 CG ASP Z 153 14.462 64.508 0.207 1.00 48.45 C ATOM 976 OD1 ASP Z 153 13.396 64.532 -0.464 1.00 48.45 O ATOM 977 OD2 ASP Z 153 15.395 65.292 -0.125 1.00 48.45 O ATOM 978 N VAL Z 154 14.592 62.536 4.381 1.00 18.05 N ATOM 979 CA VAL Z 154 14.237 61.428 5.261 1.00 18.05 C ATOM 980 C VAL Z 154 14.731 61.516 6.687 1.00 18.05 C ATOM 981 O VAL Z 154 15.363 62.519 7.082 1.00 18.05 O ATOM 982 CB VAL Z 154 14.742 60.123 4.663 1.00 18.05 C ATOM 983 CG1 VAL Z 154 14.306 60.134 3.203 1.00 22.10 C ATOM 984 CG2 VAL Z 154 16.262 59.930 4.800 1.00 22.10 C ATOM 985 N LEU Z 155 14.069 60.720 7.491 1.00 17.91 N ATOM 986 CA LEU Z 155 14.091 60.970 8.903 1.00 17.91 C ATOM 987 C LEU Z 155 15.476 60.566 9.401 1.00 17.91 C ATOM 988 O LEU Z 155 15.965 59.458 9.055 1.00 17.91 O ATOM 989 CB LEU Z 155 12.968 60.093 9.520 1.00 17.91 C ATOM 990 CG LEU Z 155 12.722 60.291 11.027 1.00 11.67 C ATOM 991 CD1 LEU Z 155 12.262 61.695 11.416 1.00 11.67 C ATOM 992 CD2 LEU Z 155 11.776 59.219 11.609 1.00 11.67 C ATOM 993 N LYS Z 156 15.987 61.371 10.284 1.00 15.37 N ATOM 994 CA LYS Z 156 17.294 61.096 10.928 1.00 15.37 C ATOM 995 C LYS Z 156 17.196 60.790 12.389 1.00 15.37 C ATOM 996 O LYS Z 156 16.291 61.392 13.031 1.00 15.37 O ATOM 997 CB LYS Z 156 18.137 62.386 10.851 1.00 15.37 C ATOM 998 CG LYS Z 156 19.103 62.157 9.694 1.00 35.28 C ATOM 999 CD LYS Z 156 18.637 62.708 8.353 1.00 35.28 C ATOM 1000 CE LYS Z 156 19.683 62.399 7.288 1.00 35.28 C ATOM 1001 NZ LYS Z 156 19.535 61.011 6.849 1.00 35.28 N ATOM 1002 N CYS Z 157 18.086 59.881 12.857 1.00 18.50 N ATOM 1003 CA CYS Z 157 18.173 59.355 14.245 1.00 18.50 C ATOM 1004 C CYS Z 157 19.534 59.537 14.909 1.00 18.50 C ATOM 1005 O CYS Z 157 20.498 59.943 14.232 1.00 18.50 O ATOM 1006 CB CYS Z 157 17.861 57.879 14.245 1.00 18.50 C ATOM 1007 SG CYS Z 157 16.103 57.594 14.066 1.00 18.63 S ATOM 1008 N LEU Z 158 19.498 59.688 16.198 1.00 15.86 N ATOM 1009 CA LEU Z 158 20.642 60.117 17.010 1.00 15.86 C ATOM 1010 C LEU Z 158 20.527 59.580 18.433 1.00 15.86 C ATOM 1011 O LEU Z 158 19.429 59.562 19.035 1.00 15.86 O ATOM 1012 CB LEU Z 158 20.898 61.648 16.873 1.00 15.86 C ATOM 1013 CG LEU Z 158 21.709 62.266 18.039 1.00 30.96 C ATOM 1014 CD1 LEU Z 158 23.208 62.395 17.740 1.00 30.96 C ATOM 1015 CD2 LEU Z 158 21.145 63.625 18.479 1.00 30.96 C ATOM 1016 N LYS Z 159 21.445 58.694 18.743 1.00 22.46 N ATOM 1017 CA LYS Z 159 21.532 58.132 20.110 1.00 22.46 C ATOM 1018 C LYS Z 159 22.442 59.009 20.984 1.00 22.46 C ATOM 1019 O LYS Z 159 23.491 59.490 20.496 1.00 22.46 O ATOM 1020 CB LYS Z 159 21.887 56.600 20.117 1.00 22.46 C ATOM 1021 CG LYS Z 159 20.693 55.775 19.540 1.00 32.48 C ATOM 1022 CD LYS Z 159 20.953 54.356 18.937 1.00 32.48 C ATOM 1023 CE LYS Z 159 21.587 53.404 19.967 0.00 0.00 C ATOM 1024 NZ LYS Z 159 21.825 52.090 19.358 0.00 0.00 N ATOM 1025 N ALA Z 160 21.865 59.630 21.982 1.00 17.89 N ATOM 1026 CA ALA Z 160 22.501 60.635 22.832 1.00 17.89 C ATOM 1027 C ALA Z 160 22.137 60.265 24.265 1.00 17.89 C ATOM 1028 O ALA Z 160 21.014 59.741 24.471 1.00 17.89 O ATOM 1029 CB ALA Z 160 21.825 62.005 22.592 1.00 17.89 C ATOM 1030 N PRO Z 161 23.009 60.451 25.235 1.00 16.61 N ATOM 1031 CA PRO Z 161 22.669 60.129 26.626 1.00 16.61 C ATOM 1032 C PRO Z 161 22.124 61.363 27.337 1.00 16.61 C ATOM 1033 O PRO Z 161 22.520 62.515 27.006 1.00 16.61 O ATOM 1034 CB PRO Z 161 24.027 59.870 27.270 1.00 16.61 C ATOM 1035 CG PRO Z 161 25.017 60.785 26.491 1.00 17.47 C ATOM 1036 CD PRO Z 161 24.350 61.011 25.112 1.00 17.47 C ATOM 1037 N ILE Z 162 21.405 61.170 28.398 1.00 14.82 N ATOM 1038 CA ILE Z 162 20.982 62.349 29.205 1.00 14.82 C ATOM 1039 C ILE Z 162 22.117 62.876 30.084 1.00 14.82 C ATOM 1040 O ILE Z 162 22.815 62.017 30.681 1.00 14.82 O ATOM 1041 CB ILE Z 162 19.784 61.953 30.121 1.00 14.82 C ATOM 1042 CG1 ILE Z 162 18.504 61.647 29.308 1.00 12.96 C ATOM 1043 CG2 ILE Z 162 19.529 63.025 31.204 1.00 12.96 C ATOM 1044 CD1 ILE Z 162 17.363 61.074 30.178 1.00 12.96 C ATOM 1045 N LEU Z 163 22.262 64.213 30.224 1.00 15.71 N ATOM 1046 CA LEU Z 163 23.313 64.871 31.064 1.00 15.71 C ATOM 1047 C LEU Z 163 22.808 65.247 32.437 1.00 15.71 C ATOM 1048 O LEU Z 163 21.585 65.315 32.683 1.00 15.71 O ATOM 1049 CB LEU Z 163 24.092 66.084 30.414 1.00 15.71 C ATOM 1050 CG LEU Z 163 24.699 65.796 28.993 1.00 16.15 C ATOM 1051 CD1 LEU Z 163 25.609 66.941 28.487 1.00 16.15 C ATOM 1052 CD2 LEU Z 163 25.414 64.442 28.834 1.00 16.15 C ATOM 1053 N SER Z 164 23.717 65.365 33.354 1.00 15.26 N ATOM 1054 CA SER Z 164 23.408 65.697 34.734 1.00 15.26 C ATOM 1055 C SER Z 164 22.916 67.136 34.864 1.00 15.26 C ATOM 1056 O SER Z 164 23.369 68.050 34.149 1.00 15.26 O ATOM 1057 CB SER Z 164 24.710 65.511 35.538 1.00 15.26 C ATOM 1058 OG SER Z 164 25.683 66.445 35.067 1.00 21.86 O ATOM 1059 N ASP Z 165 22.116 67.398 35.837 1.00 24.96 N ATOM 1060 CA ASP Z 165 21.555 68.741 35.994 1.00 24.96 C ATOM 1061 C ASP Z 165 22.667 69.751 36.217 1.00 24.96 C ATOM 1062 O ASP Z 165 22.580 70.952 35.847 1.00 24.96 O ATOM 1063 CB ASP Z 165 20.602 68.725 37.201 1.00 24.96 C ATOM 1064 CG ASP Z 165 20.260 70.161 37.564 1.00 21.45 C ATOM 1065 OD1 ASP Z 165 20.021 70.453 38.765 0.00 0.00 O ATOM 1066 OD2 ASP Z 165 19.651 70.705 36.536 0.00 0.00 O ATOM 1067 N SER Z 166 23.705 69.212 36.790 1.00 20.11 N ATOM 1068 CA SER Z 166 24.783 70.057 37.241 1.00 20.11 C ATOM 1069 C SER Z 166 25.524 70.598 36.064 1.00 20.11 C ATOM 1070 O SER Z 166 25.771 71.835 36.029 1.00 20.11 O ATOM 1071 CB SER Z 166 25.712 69.266 38.112 1.00 20.11 C ATOM 1072 OG SER Z 166 24.978 68.695 39.201 0.00 0.00 O ATOM 1073 N SER Z 167 25.776 69.668 35.163 1.00 22.16 N ATOM 1074 CA SER Z 167 26.540 70.086 34.006 1.00 22.16 C ATOM 1075 C SER Z 167 25.662 70.731 32.923 1.00 22.16 C ATOM 1076 O SER Z 167 26.197 71.446 32.049 1.00 22.16 O ATOM 1077 CB SER Z 167 27.267 68.878 33.426 1.00 22.16 C ATOM 1078 OG SER Z 167 26.314 68.132 32.716 1.00 20.98 O ATOM 1079 N CYS Z 168 24.350 70.612 33.011 1.00 17.26 N ATOM 1080 CA CYS Z 168 23.513 71.394 32.092 1.00 17.26 C ATOM 1081 C CYS Z 168 23.590 72.818 32.630 1.00 17.26 C ATOM 1082 O CYS Z 168 23.794 73.798 31.905 1.00 17.26 O ATOM 1083 CB CYS Z 168 22.067 70.793 32.167 1.00 17.26 C ATOM 1084 SG CYS Z 168 20.869 71.236 30.878 1.00 16.55 S ATOM 1085 N LYS Z 169 23.547 72.951 33.914 1.00 16.65 N ATOM 1086 CA LYS Z 169 23.498 74.330 34.485 1.00 16.65 C ATOM 1087 C LYS Z 169 24.830 75.090 34.366 1.00 16.65 C ATOM 1088 O LYS Z 169 24.897 76.358 34.332 1.00 16.65 O ATOM 1089 CB LYS Z 169 23.110 74.154 35.975 1.00 16.65 C ATOM 1090 CG LYS Z 169 21.626 73.858 36.136 1.00 25.55 C ATOM 1091 CD LYS Z 169 21.210 73.767 37.606 1.00 25.55 C ATOM 1092 CE LYS Z 169 19.690 73.573 37.755 1.00 25.55 C ATOM 1093 NZ LYS Z 169 19.349 73.244 39.144 0.00 0.00 N ATOM 1094 N SER Z 170 25.891 74.308 34.174 1.00 19.53 N ATOM 1095 CA SER Z 170 27.221 74.860 33.909 1.00 19.53 C ATOM 1096 C SER Z 170 27.404 75.241 32.436 1.00 19.53 C ATOM 1097 O SER Z 170 27.769 76.420 32.156 1.00 19.53 O ATOM 1098 CB SER Z 170 28.287 73.803 34.351 1.00 19.53 C ATOM 1099 OG SER Z 170 29.538 74.107 33.714 0.00 0.00 O ATOM 1100 N ALA Z 171 26.857 74.384 31.544 1.00 20.32 N ATOM 1101 CA ALA Z 171 26.656 74.701 30.093 1.00 20.32 C ATOM 1102 C ALA Z 171 25.913 75.983 29.794 1.00 20.32 C ATOM 1103 O ALA Z 171 26.345 76.759 28.915 1.00 20.32 O ATOM 1104 CB ALA Z 171 26.206 73.531 29.172 1.00 20.32 C ATOM 1105 N TYR Z 172 24.798 76.187 30.454 1.00 15.94 N ATOM 1106 CA TYR Z 172 23.987 77.380 30.235 1.00 15.94 C ATOM 1107 C TYR Z 172 23.611 78.068 31.533 1.00 15.94 C ATOM 1108 O TYR Z 172 22.447 77.913 31.964 1.00 15.94 O ATOM 1109 CB TYR Z 172 22.594 77.043 29.592 1.00 15.94 C ATOM 1110 CG TYR Z 172 22.717 76.357 28.240 1.00 12.68 C ATOM 1111 CD1 TYR Z 172 22.765 74.987 28.166 1.00 12.68 C ATOM 1112 CD2 TYR Z 172 22.868 77.111 27.110 1.00 12.68 C ATOM 1113 CE1 TYR Z 172 22.905 74.388 26.929 1.00 12.68 C ATOM 1114 CE2 TYR Z 172 23.008 76.507 25.874 1.00 12.68 C ATOM 1115 CZ TYR Z 172 23.004 75.151 25.786 1.00 12.68 C ATOM 1116 OH TYR Z 172 23.144 74.525 24.488 1.00 12.68 O ATOM 1117 N PRO Z 173 24.485 78.838 32.136 1.00 21.92 N ATOM 1118 CA PRO Z 173 24.146 79.522 33.392 1.00 21.92 C ATOM 1119 C PRO Z 173 22.858 80.330 33.533 1.00 21.92 C ATOM 1120 O PRO Z 173 22.643 81.416 32.944 1.00 21.92 O ATOM 1121 CB PRO Z 173 25.354 80.362 33.797 1.00 21.92 C ATOM 1122 CG PRO Z 173 26.414 80.110 32.725 1.00 24.23 C ATOM 1123 CD PRO Z 173 25.885 78.995 31.795 1.00 24.23 C ATOM 1124 N GLY Z 174 22.161 80.036 34.572 1.00 30.07 N ATOM 1125 CA GLY Z 174 21.011 80.857 34.888 1.00 30.07 C ATOM 1126 C GLY Z 174 19.829 80.701 33.933 1.00 30.07 C ATOM 1127 O GLY Z 174 18.915 81.549 33.990 1.00 30.07 O ATOM 1128 N GLN Z 175 19.847 79.680 33.101 1.00 19.23 N ATOM 1129 CA GLN Z 175 18.871 79.441 32.040 1.00 19.23 C ATOM 1130 C GLN Z 175 18.158 78.117 32.125 1.00 19.23 C ATOM 1131 O GLN Z 175 17.208 77.932 31.322 1.00 19.23 O ATOM 1132 CB GLN Z 175 19.532 79.573 30.629 1.00 19.23 C ATOM 1133 CG GLN Z 175 19.867 81.052 30.378 1.00 33.88 C ATOM 1134 CD GLN Z 175 20.968 81.101 29.331 1.00 33.88 C ATOM 1135 OE1 GLN Z 175 22.162 81.174 29.722 1.00 33.88 O ATOM 1136 NE2 GLN Z 175 20.590 80.811 28.106 1.00 33.88 N ATOM 1137 N ILE Z 176 18.544 77.265 33.038 1.00 23.09 N ATOM 1138 CA ILE Z 176 17.866 75.953 33.143 1.00 23.09 C ATOM 1139 C ILE Z 176 16.895 75.872 34.305 1.00 23.09 C ATOM 1140 O ILE Z 176 17.303 76.120 35.461 1.00 23.09 O ATOM 1141 CB ILE Z 176 18.925 74.825 33.210 1.00 23.09 C ATOM 1142 CG1 ILE Z 176 19.943 74.999 32.054 1.00 9.06 C ATOM 1143 CG2 ILE Z 176 18.334 73.389 33.317 1.00 9.06 C ATOM 1144 CD1 ILE Z 176 19.483 74.625 30.642 1.00 9.06 C ATOM 1145 N THR Z 177 15.650 75.523 34.038 1.00 7.23 N ATOM 1146 CA THR Z 177 14.655 75.427 35.127 1.00 7.23 C ATOM 1147 C THR Z 177 14.523 73.957 35.379 1.00 7.23 C ATOM 1148 O THR Z 177 15.128 73.165 34.632 1.00 7.23 O ATOM 1149 CB THR Z 177 13.298 75.879 34.602 1.00 7.23 C ATOM 1150 OG1 THR Z 177 12.921 74.967 33.519 1.00 8.84 O ATOM 1151 CG2 THR Z 177 13.552 77.248 33.959 1.00 8.84 C ATOM 1152 N SER Z 178 13.792 73.622 36.362 1.00 17.54 N ATOM 1153 CA SER Z 178 13.494 72.224 36.708 1.00 17.54 C ATOM 1154 C SER Z 178 12.795 71.464 35.594 1.00 17.54 C ATOM 1155 O SER Z 178 12.674 70.221 35.656 1.00 17.54 O ATOM 1156 CB SER Z 178 12.610 72.238 37.960 1.00 17.54 C ATOM 1157 OG SER Z 178 11.801 73.437 37.874 1.00 34.39 O ATOM 1158 N ASN Z 179 12.282 72.174 34.629 1.00 20.41 N ATOM 1159 CA ASN Z 179 11.502 71.531 33.563 1.00 20.41 C ATOM 1160 C ASN Z 179 12.343 71.257 32.334 1.00 20.41 C ATOM 1161 O ASN Z 179 11.774 70.887 31.279 1.00 20.41 O ATOM 1162 CB ASN Z 179 10.323 72.453 33.155 1.00 20.41 C ATOM 1163 CG ASN Z 179 9.336 72.463 34.292 1.00 16.74 C ATOM 1164 OD1 ASN Z 179 9.228 71.388 34.946 1.00 16.74 O ATOM 1165 ND2 ASN Z 179 9.319 73.665 34.798 1.00 16.74 N ATOM 1166 N MET Z 180 13.642 71.448 32.459 1.00 18.82 N ATOM 1167 CA MET Z 180 14.596 71.213 31.310 1.00 18.82 C ATOM 1168 C MET Z 180 15.562 70.075 31.594 1.00 18.82 C ATOM 1169 O MET Z 180 16.056 69.986 32.741 1.00 18.82 O ATOM 1170 CB MET Z 180 15.377 72.532 31.025 1.00 18.82 C ATOM 1171 CG MET Z 180 14.405 73.675 30.681 1.00 11.61 C ATOM 1172 SD MET Z 180 15.090 75.257 30.368 1.00 11.61 S ATOM 1173 CE MET Z 180 13.725 76.340 30.062 1.00 11.61 C ATOM 1174 N PHE Z 181 16.010 69.376 30.580 1.00 12.78 N ATOM 1175 CA PHE Z 181 17.276 68.597 30.738 1.00 12.78 C ATOM 1176 C PHE Z 181 18.193 68.699 29.529 1.00 12.78 C ATOM 1177 O PHE Z 181 17.734 68.957 28.391 1.00 12.78 O ATOM 1178 CB PHE Z 181 17.019 67.114 31.092 1.00 12.78 C ATOM 1179 CG PHE Z 181 16.301 66.312 29.986 1.00 11.45 C ATOM 1180 CD1 PHE Z 181 17.078 65.604 29.103 1.00 11.45 C ATOM 1181 CD2 PHE Z 181 14.926 66.288 29.875 1.00 11.45 C ATOM 1182 CE1 PHE Z 181 16.514 64.867 28.120 1.00 11.45 C ATOM 1183 CE2 PHE Z 181 14.347 65.529 28.850 1.00 11.45 C ATOM 1184 CZ PHE Z 181 15.141 64.829 27.978 1.00 11.45 C ATOM 1185 N CYS Z 182 19.446 68.397 29.715 1.00 8.13 N ATOM 1186 CA CYS Z 182 20.434 68.419 28.601 1.00 8.13 C ATOM 1187 C CYS Z 182 20.694 67.018 28.090 1.00 8.13 C ATOM 1188 O CYS Z 182 20.667 66.104 28.939 1.00 8.13 O ATOM 1189 CB CYS Z 182 21.763 69.027 29.072 1.00 8.13 C ATOM 1190 SG CYS Z 182 21.753 70.842 29.134 1.00 11.80 S ATOM 1191 N ALA Z 183 21.047 66.899 26.808 1.00 9.84 N ATOM 1192 CA ALA Z 183 21.460 65.608 26.298 1.00 9.84 C ATOM 1193 C ALA Z 183 22.335 65.740 25.054 1.00 9.84 C ATOM 1194 O ALA Z 183 22.247 66.726 24.304 1.00 9.84 O ATOM 1195 CB ALA Z 183 20.240 64.689 26.088 1.00 9.84 C ATOM 1196 N GLY Z 184A 23.178 64.806 24.876 1.00 22.98 N ATOM 1197 CA GLY Z 184A 24.228 64.832 23.845 1.00 22.98 C ATOM 1198 C GLY Z 184A 25.651 64.835 24.429 1.00 22.98 C ATOM 1199 O GLY Z 184A 25.986 63.969 25.273 1.00 22.98 O ATOM 1200 N TYR Z 184 26.547 65.421 23.696 1.00 15.96 N ATOM 1201 CA TYR Z 184 28.015 65.165 23.790 1.00 15.96 C ATOM 1202 C TYR Z 184 28.815 66.453 23.914 1.00 15.96 C ATOM 1203 O TYR Z 184 28.509 67.432 23.188 1.00 15.96 O ATOM 1204 CB TYR Z 184 28.428 64.525 22.480 1.00 15.96 C ATOM 1205 CG TYR Z 184 27.775 63.142 22.314 1.00 18.35 C ATOM 1206 CD1 TYR Z 184 26.626 63.000 21.553 1.00 18.35 C ATOM 1207 CD2 TYR Z 184 28.313 62.047 22.947 1.00 18.35 C ATOM 1208 CE1 TYR Z 184 26.010 61.761 21.436 1.00 18.35 C ATOM 1209 CE2 TYR Z 184 27.717 60.824 22.814 1.00 18.35 C ATOM 1210 CZ TYR Z 184 26.561 60.683 22.067 1.00 18.35 C ATOM 1211 OH TYR Z 184 25.917 59.399 21.992 1.00 18.35 O ATOM 1212 N LEU Z 185 29.570 66.604 24.986 1.00 15.68 N ATOM 1213 CA LEU Z 185 30.131 67.935 25.256 1.00 15.68 C ATOM 1214 C LEU Z 185 31.162 68.261 24.181 1.00 15.68 C ATOM 1215 O LEU Z 185 31.475 69.455 23.934 1.00 15.68 O ATOM 1216 CB LEU Z 185 30.851 68.036 26.608 1.00 15.68 C ATOM 1217 CG LEU Z 185 30.047 68.235 27.913 1.00 26.27 C ATOM 1218 CD1 LEU Z 185 28.953 69.311 27.844 1.00 26.27 C ATOM 1219 CD2 LEU Z 185 29.634 66.943 28.609 1.00 26.27 C ATOM 1220 N GLU Z 186 31.607 67.227 23.526 1.00 25.83 N ATOM 1221 CA GLU Z 186 32.509 67.366 22.383 1.00 25.83 C ATOM 1222 C GLU Z 186 31.809 68.112 21.260 1.00 25.83 C ATOM 1223 O GLU Z 186 32.459 68.903 20.549 1.00 25.83 O ATOM 1224 CB GLU Z 186 32.817 65.950 21.877 1.00 25.83 C ATOM 1225 CG GLU Z 186 34.301 65.605 21.693 1.00 44.49 C ATOM 1226 CD GLU Z 186 34.293 64.158 21.214 1.00 44.49 C ATOM 1227 OE1 GLU Z 186 33.335 63.405 21.528 0.00 0.00 O ATOM 1228 OE2 GLU Z 186 35.244 63.838 20.358 0.00 0.00 O ATOM 1229 N GLY Z 187 30.539 67.857 21.040 1.00 23.29 N ATOM 1230 CA GLY Z 187 29.990 68.506 19.821 1.00 23.29 C ATOM 1231 C GLY Z 187 29.702 67.536 18.686 1.00 23.29 C ATOM 1232 O GLY Z 187 29.893 66.303 18.834 1.00 23.29 O ATOM 1233 N GLY Z 188A 29.240 68.029 17.565 1.00 30.81 N ATOM 1234 CA GLY Z 188A 29.010 67.127 16.410 1.00 30.81 C ATOM 1235 C GLY Z 188A 27.695 66.346 16.308 1.00 30.81 C ATOM 1236 O GLY Z 188A 27.352 65.841 15.221 1.00 30.81 O ATOM 1237 N LYS Z 188 27.095 65.948 17.379 1.00 19.33 N ATOM 1238 CA LYS Z 188 25.890 65.120 17.295 1.00 19.33 C ATOM 1239 C LYS Z 188 24.819 65.889 18.054 1.00 19.33 C ATOM 1240 O LYS Z 188 25.118 66.212 19.224 1.00 19.33 O ATOM 1241 CB LYS Z 188 26.153 63.833 18.120 1.00 19.33 C ATOM 1242 CG LYS Z 188 26.921 62.753 17.355 1.00 19.25 C ATOM 1243 CD LYS Z 188 26.952 61.428 18.135 0.00 0.00 C ATOM 1244 CE LYS Z 188 27.714 60.321 17.390 0.00 0.00 C ATOM 1245 NZ LYS Z 188 27.622 59.067 18.146 0.00 0.00 N ATOM 1246 N ASP Z 189 23.780 66.385 17.403 1.00 20.56 N ATOM 1247 CA ASP Z 189 22.787 67.205 18.119 1.00 20.56 C ATOM 1248 C ASP Z 189 21.502 67.388 17.297 1.00 20.56 C ATOM 1249 O ASP Z 189 21.439 67.022 16.091 1.00 20.56 O ATOM 1250 CB ASP Z 189 23.403 68.582 18.318 1.00 20.56 C ATOM 1251 CG ASP Z 189 22.710 69.384 19.407 1.00 16.94 C ATOM 1252 OD1 ASP Z 189 23.228 70.469 19.788 1.00 16.94 O ATOM 1253 OD2 ASP Z 189 21.835 68.829 20.112 1.00 16.94 O ATOM 1254 N SER Z 190 20.505 67.961 17.909 1.00 16.52 N ATOM 1255 CA SER Z 190 19.320 68.240 17.123 1.00 16.52 C ATOM 1256 C SER Z 190 19.339 69.679 16.616 1.00 16.52 C ATOM 1257 O SER Z 190 20.131 70.540 17.084 1.00 16.52 O ATOM 1258 CB SER Z 190 18.033 67.921 17.914 1.00 16.52 C ATOM 1259 OG SER Z 190 18.153 68.449 19.215 1.00 12.31 O ATOM 1260 N CYS Z 191 18.615 69.978 15.562 1.00 16.13 N ATOM 1261 CA CYS Z 191 18.924 71.341 15.112 1.00 16.13 C ATOM 1262 C CYS Z 191 17.653 71.902 14.503 1.00 16.13 C ATOM 1263 O CYS Z 191 16.665 71.147 14.584 1.00 16.13 O ATOM 1264 CB CYS Z 191 20.111 71.214 14.100 1.00 16.13 C ATOM 1265 SG CYS Z 191 20.924 72.731 13.650 1.00 18.90 S ATOM 1266 N GLN Z 192 17.642 73.108 13.976 1.00 17.01 N ATOM 1267 CA GLN Z 192 16.463 73.708 13.318 1.00 17.01 C ATOM 1268 C GLN Z 192 15.691 72.744 12.414 1.00 17.01 C ATOM 1269 O GLN Z 192 16.278 72.090 11.526 1.00 17.01 O ATOM 1270 CB GLN Z 192 16.828 75.031 12.614 1.00 17.01 C ATOM 1271 CG GLN Z 192 16.919 76.214 13.569 1.00 28.21 C ATOM 1272 CD GLN Z 192 18.151 76.046 14.445 1.00 28.21 C ATOM 1273 OE1 GLN Z 192 19.235 75.872 13.854 1.00 28.21 O ATOM 1274 NE2 GLN Z 192 18.066 76.615 15.629 1.00 28.21 N ATOM 1275 N GLY Z 193 14.462 72.459 12.811 1.00 12.14 N ATOM 1276 CA GLY Z 193 13.535 71.527 12.170 1.00 12.14 C ATOM 1277 C GLY Z 193 13.008 70.437 13.092 1.00 12.14 C ATOM 1278 O GLY Z 193 12.170 69.609 12.642 1.00 12.14 O ATOM 1279 N ASP Z 194 13.784 70.226 14.159 1.00 9.19 N ATOM 1280 CA ASP Z 194 13.654 69.069 15.062 1.00 9.19 C ATOM 1281 C ASP Z 194 12.734 69.340 16.245 1.00 9.19 C ATOM 1282 O ASP Z 194 12.151 68.349 16.776 1.00 9.19 O ATOM 1283 CB ASP Z 194 15.030 68.774 15.654 1.00 9.19 C ATOM 1284 CG ASP Z 194 15.785 67.887 14.690 1.00 16.69 C ATOM 1285 OD1 ASP Z 194 17.035 67.935 14.575 1.00 16.69 O ATOM 1286 OD2 ASP Z 194 15.140 67.367 13.775 1.00 16.69 O ATOM 1287 N SER Z 195 12.588 70.648 16.498 1.00 6.85 N ATOM 1288 CA SER Z 195 11.806 71.203 17.584 1.00 6.85 C ATOM 1289 C SER Z 195 10.412 70.614 17.723 1.00 6.85 C ATOM 1290 O SER Z 195 9.816 70.203 16.706 1.00 6.85 O ATOM 1291 CB SER Z 195 11.564 72.645 17.282 1.00 6.85 C ATOM 1292 OG SER Z 195 12.138 73.342 18.316 1.00 5.00 O ATOM 1293 N GLY Z 196 10.083 70.221 18.896 1.00 11.10 N ATOM 1294 CA GLY Z 196 8.845 69.477 19.118 1.00 11.10 C ATOM 1295 C GLY Z 196 8.875 67.972 19.002 1.00 11.10 C ATOM 1296 O GLY Z 196 7.951 67.322 19.567 1.00 11.10 O ATOM 1297 N GLY Z 197 9.915 67.400 18.349 1.00 10.87 N ATOM 1298 CA GLY Z 197 9.991 65.931 18.283 1.00 10.87 C ATOM 1299 C GLY Z 197 10.557 65.206 19.517 1.00 10.87 C ATOM 1300 O GLY Z 197 10.659 65.879 20.552 1.00 10.87 O ATOM 1301 N PRO Z 198 10.591 63.854 19.484 1.00 12.81 N ATOM 1302 CA PRO Z 198 10.691 62.974 20.652 1.00 12.81 C ATOM 1303 C PRO Z 198 12.153 62.700 21.048 1.00 12.81 C ATOM 1304 O PRO Z 198 13.035 62.758 20.178 1.00 12.81 O ATOM 1305 CB PRO Z 198 10.162 61.602 20.161 1.00 12.81 C ATOM 1306 CG PRO Z 198 10.273 61.609 18.625 1.00 5.00 C ATOM 1307 CD PRO Z 198 10.425 63.085 18.266 1.00 5.00 C ATOM 1308 N VAL Z 199 12.408 62.569 22.321 1.00 12.15 N ATOM 1309 CA VAL Z 199 13.540 61.934 23.011 1.00 12.15 C ATOM 1310 C VAL Z 199 13.014 60.684 23.751 1.00 12.15 C ATOM 1311 O VAL Z 199 12.310 60.743 24.808 1.00 12.15 O ATOM 1312 CB VAL Z 199 14.269 62.914 23.946 1.00 12.15 C ATOM 1313 CG1 VAL Z 199 15.497 62.335 24.738 1.00 5.00 C ATOM 1314 CG2 VAL Z 199 14.604 64.228 23.235 1.00 5.00 C ATOM 1315 N VAL Z 200 13.136 59.548 23.115 1.00 12.39 N ATOM 1316 CA VAL Z 200 12.587 58.292 23.657 1.00 12.39 C ATOM 1317 C VAL Z 200 13.595 57.377 24.343 1.00 12.39 C ATOM 1318 O VAL Z 200 14.691 57.183 23.809 1.00 12.39 O ATOM 1319 CB VAL Z 200 11.949 57.526 22.525 1.00 12.39 C ATOM 1320 CG1 VAL Z 200 11.570 56.182 23.082 1.00 6.23 C ATOM 1321 CG2 VAL Z 200 10.649 58.309 22.159 1.00 6.23 C ATOM 1322 N CYS Z 201 13.400 57.068 25.574 1.00 12.73 N ATOM 1323 CA CYS Z 201 14.428 56.432 26.362 1.00 12.73 C ATOM 1324 C CYS Z 201 13.766 55.209 26.992 1.00 12.73 C ATOM 1325 O CYS Z 201 12.970 55.310 27.948 1.00 12.73 O ATOM 1326 CB CYS Z 201 14.884 57.343 27.510 1.00 12.73 C ATOM 1327 SG CYS Z 201 15.317 59.050 27.175 1.00 22.50 S ATOM 1328 N SER Z 202 14.176 54.111 26.534 1.00 26.61 N ATOM 1329 CA SER Z 202 13.785 52.824 27.093 1.00 26.61 C ATOM 1330 C SER Z 202 12.299 52.628 26.853 1.00 26.61 C ATOM 1331 O SER Z 202 11.508 52.374 27.786 1.00 26.61 O ATOM 1332 CB SER Z 202 14.219 52.710 28.576 1.00 26.61 C ATOM 1333 OG SER Z 202 15.621 52.978 28.690 0.00 0.00 O ATOM 1334 N GLY Z 203 11.886 52.968 25.662 1.00 25.33 N ATOM 1335 CA GLY Z 203 10.463 52.834 25.335 1.00 25.33 C ATOM 1336 C GLY Z 203 9.538 54.000 25.676 1.00 25.33 C ATOM 1337 O GLY Z 203 8.317 53.929 25.372 1.00 25.33 O ATOM 1338 N LYS Z 204 9.981 54.838 26.553 1.00 13.53 N ATOM 1339 CA LYS Z 204 9.146 55.878 27.088 1.00 13.53 C ATOM 1340 C LYS Z 204 9.474 57.253 26.529 1.00 13.53 C ATOM 1341 O LYS Z 204 10.632 57.505 26.119 1.00 13.53 O ATOM 1342 CB LYS Z 204 9.172 55.813 28.629 1.00 13.53 C ATOM 1343 CG LYS Z 204 8.378 54.537 29.045 1.00 28.01 C ATOM 1344 CD LYS Z 204 8.135 54.371 30.536 1.00 28.01 C ATOM 1345 CE LYS Z 204 7.383 53.062 30.831 0.00 0.00 C ATOM 1346 NZ LYS Z 204 7.282 52.851 32.278 0.00 0.00 N ATOM 1347 N LEU Z 209 8.491 58.093 26.393 1.00 22.29 N ATOM 1348 CA LEU Z 209 8.728 59.469 25.975 1.00 22.29 C ATOM 1349 C LEU Z 209 9.277 60.355 27.100 1.00 22.29 C ATOM 1350 O LEU Z 209 8.501 60.812 27.991 1.00 22.29 O ATOM 1351 CB LEU Z 209 7.462 60.147 25.351 1.00 22.29 C ATOM 1352 CG LEU Z 209 7.738 61.613 24.918 1.00 5.16 C ATOM 1353 CD1 LEU Z 209 8.772 61.598 23.753 1.00 5.16 C ATOM 1354 CD2 LEU Z 209 6.463 62.259 24.414 1.00 5.16 C ATOM 1355 N GLN Z 210 10.561 60.699 27.028 1.00 13.38 N ATOM 1356 CA GLN Z 210 11.169 61.567 28.068 1.00 13.38 C ATOM 1357 C GLN Z 210 11.350 63.064 27.820 1.00 13.38 C ATOM 1358 O GLN Z 210 11.443 63.918 28.760 1.00 13.38 O ATOM 1359 CB GLN Z 210 12.416 60.924 28.702 1.00 13.38 C ATOM 1360 CG GLN Z 210 12.189 59.492 29.213 1.00 17.05 C ATOM 1361 CD GLN Z 210 11.605 59.485 30.623 1.00 17.05 C ATOM 1362 OE1 GLN Z 210 11.377 58.393 31.170 1.00 17.05 O ATOM 1363 NE2 GLN Z 210 11.691 60.561 31.321 1.00 17.05 N ATOM 1364 N GLY Z 211 11.537 63.391 26.560 1.00 6.44 N ATOM 1365 CA GLY Z 211 11.846 64.793 26.235 1.00 6.44 C ATOM 1366 C GLY Z 211 11.159 65.284 24.972 1.00 6.44 C ATOM 1367 O GLY Z 211 10.728 64.457 24.139 1.00 6.44 O ATOM 1368 N ILE Z 212 11.141 66.591 24.799 1.00 15.96 N ATOM 1369 CA ILE Z 212 10.712 67.262 23.557 1.00 15.96 C ATOM 1370 C ILE Z 212 11.830 68.180 23.106 1.00 15.96 C ATOM 1371 O ILE Z 212 12.260 68.986 23.964 1.00 15.96 O ATOM 1372 CB ILE Z 212 9.439 68.109 23.836 1.00 15.96 C ATOM 1373 CG1 ILE Z 212 8.253 67.221 24.262 1.00 7.45 C ATOM 1374 CG2 ILE Z 212 9.070 69.179 22.775 1.00 7.45 C ATOM 1375 CD1 ILE Z 212 7.235 68.025 25.055 1.00 7.45 C ATOM 1376 N VAL Z 213 12.339 67.971 21.882 1.00 7.22 N ATOM 1377 CA VAL Z 213 13.348 68.917 21.362 1.00 7.22 C ATOM 1378 C VAL Z 213 12.890 70.365 21.480 1.00 7.22 C ATOM 1379 O VAL Z 213 11.706 70.710 21.205 1.00 7.22 O ATOM 1380 CB VAL Z 213 13.586 68.651 19.903 1.00 7.22 C ATOM 1381 CG1 VAL Z 213 14.672 69.498 19.284 1.00 6.45 C ATOM 1382 CG2 VAL Z 213 13.838 67.172 19.731 1.00 6.45 C ATOM 1383 N SER Z 214 13.780 71.155 22.037 1.00 10.00 N ATOM 1384 CA SER Z 214 13.437 72.522 22.426 1.00 10.00 C ATOM 1385 C SER Z 214 14.413 73.630 22.015 1.00 10.00 C ATOM 1386 O SER Z 214 14.003 74.497 21.215 1.00 10.00 O ATOM 1387 CB SER Z 214 13.030 72.544 23.912 1.00 10.00 C ATOM 1388 OG SER Z 214 12.629 73.840 24.347 1.00 7.13 O ATOM 1389 N TRP Z 215 15.526 73.833 22.701 1.00 13.51 N ATOM 1390 CA TRP Z 215 16.454 74.906 22.331 1.00 13.51 C ATOM 1391 C TRP Z 215 17.953 74.568 22.591 1.00 13.51 C ATOM 1392 O TRP Z 215 18.245 73.413 22.922 1.00 13.51 O ATOM 1393 CB TRP Z 215 16.040 76.219 22.971 1.00 13.51 C ATOM 1394 CG TRP Z 215 16.229 76.141 24.494 1.00 16.57 C ATOM 1395 CD1 TRP Z 215 15.402 75.574 25.375 1.00 16.57 C ATOM 1396 CD2 TRP Z 215 17.324 76.621 25.258 1.00 16.57 C ATOM 1397 NE1 TRP Z 215 15.918 75.775 26.697 1.00 16.57 N ATOM 1398 CE2 TRP Z 215 17.021 76.402 26.615 1.00 16.57 C ATOM 1399 CE3 TRP Z 215 18.521 77.225 24.881 1.00 16.57 C ATOM 1400 CZ2 TRP Z 215 17.853 76.798 27.646 1.00 16.57 C ATOM 1401 CZ3 TRP Z 215 19.366 77.606 25.918 1.00 16.57 C ATOM 1402 CH2 TRP Z 215 19.048 77.407 27.254 1.00 16.57 C ATOM 1403 N GLY Z 216 18.923 75.440 22.336 1.00 18.93 N ATOM 1404 CA GLY Z 216 20.403 75.227 22.416 1.00 18.93 C ATOM 1405 C GLY Z 216 21.102 76.518 21.994 1.00 18.93 C ATOM 1406 O GLY Z 216 20.557 77.284 21.155 1.00 18.93 O ATOM 1407 N SER Z 217 22.341 76.657 22.371 1.00 22.34 N ATOM 1408 CA SER Z 217 23.205 77.631 21.698 1.00 22.34 C ATOM 1409 C SER Z 217 23.733 77.122 20.371 1.00 22.34 C ATOM 1410 O SER Z 217 24.709 76.330 20.361 1.00 22.34 O ATOM 1411 CB SER Z 217 24.387 78.010 22.619 1.00 22.34 C ATOM 1412 OG SER Z 217 25.322 78.820 21.891 0.00 0.00 O ATOM 1413 N GLY Z 219 23.010 77.373 19.285 1.00 17.47 N ATOM 1414 CA GLY Z 219 23.380 76.762 17.977 1.00 17.47 C ATOM 1415 C GLY Z 219 23.111 75.271 17.897 1.00 17.47 C ATOM 1416 O GLY Z 219 22.281 74.695 18.643 1.00 17.47 O ATOM 1417 N CYS Z 220 23.749 74.592 17.029 1.00 19.13 N ATOM 1418 CA CYS Z 220 23.572 73.157 17.189 1.00 19.13 C ATOM 1419 C CYS Z 220 24.931 72.490 17.196 1.00 19.13 C ATOM 1420 O CYS Z 220 25.663 72.781 16.228 1.00 19.13 O ATOM 1421 CB CYS Z 220 22.811 72.572 15.984 1.00 19.13 C ATOM 1422 SG CYS Z 220 21.383 73.543 15.441 1.00 22.76 S ATOM 1423 N ALA Z 221A 25.102 71.416 17.957 1.00 18.82 N ATOM 1424 CA ALA Z 221A 26.302 70.625 17.747 1.00 18.82 C ATOM 1425 C ALA Z 221A 27.626 71.404 17.942 1.00 18.82 C ATOM 1426 O ALA Z 221A 28.701 70.793 17.828 1.00 18.82 O ATOM 1427 CB ALA Z 221A 26.243 69.898 16.404 1.00 18.82 C ATOM 1428 N GLN Z 221 27.550 72.413 18.741 1.00 15.00 N ATOM 1429 CA GLN Z 221 28.697 73.088 19.395 1.00 15.00 C ATOM 1430 C GLN Z 221 29.372 72.531 20.651 1.00 15.00 C ATOM 1431 O GLN Z 221 28.730 71.862 21.503 1.00 15.00 O ATOM 1432 CB GLN Z 221 28.378 74.541 19.631 1.00 15.00 C ATOM 1433 CG GLN Z 221 28.330 75.295 18.277 1.00 27.64 C ATOM 1434 CD GLN Z 221 27.677 76.637 18.608 1.00 27.64 C ATOM 1435 OE1 GLN Z 221 27.916 77.199 19.707 0.00 0.00 O ATOM 1436 NE2 GLN Z 221 27.020 77.205 17.615 0.00 0.00 N ATOM 1437 N LYS Z 222 30.710 72.717 20.699 1.00 21.11 N ATOM 1438 CA LYS Z 222 31.451 72.129 21.830 1.00 21.11 C ATOM 1439 C LYS Z 222 30.895 72.773 23.097 1.00 21.11 C ATOM 1440 O LYS Z 222 30.641 73.994 23.077 1.00 21.11 O ATOM 1441 CB LYS Z 222 33.008 72.328 21.746 1.00 21.11 C ATOM 1442 CG LYS Z 222 33.698 71.581 20.591 0.00 0.00 C ATOM 1443 CD LYS Z 222 35.234 71.682 20.583 0.00 0.00 C ATOM 1444 CE LYS Z 222 35.877 70.834 21.695 0.00 0.00 C ATOM 1445 NZ LYS Z 222 37.339 70.842 21.554 0.00 0.00 N ATOM 1446 N ASN Z 223 30.625 71.993 24.115 1.00 29.12 N ATOM 1447 CA ASN Z 223 30.224 72.456 25.444 1.00 29.12 C ATOM 1448 C ASN Z 223 28.809 73.050 25.494 1.00 29.12 C ATOM 1449 O ASN Z 223 28.408 73.657 26.518 1.00 29.12 O ATOM 1450 CB ASN Z 223 31.297 73.448 25.994 1.00 29.12 C ATOM 1451 CG ASN Z 223 32.677 72.750 26.084 1.00 15.79 C ATOM 1452 OD1 ASN Z 223 32.903 71.918 27.000 0.00 0.00 O ATOM 1453 ND2 ASN Z 223 33.575 73.181 25.225 0.00 0.00 N ATOM 1454 N LYS Z 224 28.047 72.874 24.433 1.00 23.03 N ATOM 1455 CA LYS Z 224 26.646 73.352 24.506 1.00 23.03 C ATOM 1456 C LYS Z 224 25.670 72.295 23.993 1.00 23.03 C ATOM 1457 O LYS Z 224 25.358 72.303 22.777 1.00 23.03 O ATOM 1458 CB LYS Z 224 26.530 74.542 23.579 1.00 23.03 C ATOM 1459 CG LYS Z 224 27.294 75.744 24.121 1.00 25.64 C ATOM 1460 CD LYS Z 224 27.861 76.509 22.923 1.00 25.64 C ATOM 1461 CE LYS Z 224 28.497 77.851 23.318 0.00 0.00 C ATOM 1462 NZ LYS Z 224 28.944 78.554 22.108 0.00 0.00 N ATOM 1463 N PRO Z 225 25.348 71.361 24.860 1.00 17.41 N ATOM 1464 CA PRO Z 225 24.424 70.274 24.538 1.00 17.41 C ATOM 1465 C PRO Z 225 23.035 70.832 24.150 1.00 17.41 C ATOM 1466 O PRO Z 225 22.640 71.977 24.524 1.00 17.41 O ATOM 1467 CB PRO Z 225 24.351 69.435 25.850 1.00 17.41 C ATOM 1468 CG PRO Z 225 24.855 70.306 27.020 1.00 12.25 C ATOM 1469 CD PRO Z 225 25.545 71.515 26.340 1.00 12.25 C ATOM 1470 N GLY Z 226 22.272 70.075 23.465 1.00 11.41 N ATOM 1471 CA GLY Z 226 20.891 70.525 23.243 1.00 11.41 C ATOM 1472 C GLY Z 226 20.072 70.489 24.532 1.00 11.41 C ATOM 1473 O GLY Z 226 20.350 69.670 25.436 1.00 11.41 O ATOM 1474 N VAL Z 227 19.162 71.433 24.690 1.00 12.59 N ATOM 1475 CA VAL Z 227 18.159 71.480 25.801 1.00 12.59 C ATOM 1476 C VAL Z 227 16.719 71.025 25.380 1.00 12.59 C ATOM 1477 O VAL Z 227 16.253 71.181 24.203 1.00 12.59 O ATOM 1478 CB VAL Z 227 18.179 72.888 26.461 1.00 12.59 C ATOM 1479 CG1 VAL Z 227 17.393 73.000 27.790 1.00 7.63 C ATOM 1480 CG2 VAL Z 227 19.614 73.335 26.737 1.00 7.63 C ATOM 1481 N TYR Z 228 16.142 70.184 26.249 1.00 14.83 N ATOM 1482 CA TYR Z 228 14.888 69.464 26.048 1.00 14.83 C ATOM 1483 C TYR Z 228 13.868 69.697 27.177 1.00 14.83 C ATOM 1484 O TYR Z 228 14.271 69.824 28.367 1.00 14.83 O ATOM 1485 CB TYR Z 228 15.209 67.953 25.950 1.00 14.83 C ATOM 1486 CG TYR Z 228 16.158 67.665 24.800 1.00 16.49 C ATOM 1487 CD1 TYR Z 228 15.617 67.428 23.575 1.00 16.49 C ATOM 1488 CD2 TYR Z 228 17.537 67.597 24.982 1.00 16.49 C ATOM 1489 CE1 TYR Z 228 16.439 67.178 22.478 1.00 16.49 C ATOM 1490 CE2 TYR Z 228 18.349 67.358 23.874 1.00 16.49 C ATOM 1491 CZ TYR Z 228 17.794 67.185 22.625 1.00 16.49 C ATOM 1492 OH TYR Z 228 18.618 67.016 21.447 1.00 16.49 O ATOM 1493 N THR Z 229 12.568 69.729 26.839 1.00 12.91 N ATOM 1494 CA THR Z 229 11.524 69.761 27.890 1.00 12.91 C ATOM 1495 C THR Z 229 11.492 68.401 28.611 1.00 12.91 C ATOM 1496 O THR Z 229 11.266 67.355 27.957 1.00 12.91 O ATOM 1497 CB THR Z 229 10.141 70.004 27.225 1.00 12.91 C ATOM 1498 OG1 THR Z 229 10.301 71.118 26.351 1.00 12.23 O ATOM 1499 CG2 THR Z 229 9.030 70.363 28.246 1.00 12.23 C ATOM 1500 N LYS Z 230 11.552 68.404 29.902 1.00 11.54 N ATOM 1501 CA LYS Z 230 11.355 67.200 30.708 1.00 11.54 C ATOM 1502 C LYS Z 230 9.895 66.734 30.819 1.00 11.54 C ATOM 1503 O LYS Z 230 9.216 67.161 31.779 1.00 11.54 O ATOM 1504 CB LYS Z 230 11.830 67.537 32.139 1.00 11.54 C ATOM 1505 CG LYS Z 230 12.350 66.334 32.937 1.00 14.72 C ATOM 1506 CD LYS Z 230 12.985 66.890 34.225 1.00 14.72 C ATOM 1507 CE LYS Z 230 13.637 65.780 35.066 0.00 0.00 C ATOM 1508 NZ LYS Z 230 14.286 66.374 36.240 0.00 0.00 N ATOM 1509 N VAL Z 231 9.488 65.784 29.965 1.00 22.72 N ATOM 1510 CA VAL Z 231 8.089 65.253 29.893 1.00 22.72 C ATOM 1511 C VAL Z 231 7.566 64.572 31.164 1.00 22.72 C ATOM 1512 O VAL Z 231 6.375 64.673 31.535 1.00 22.72 O ATOM 1513 CB VAL Z 231 7.935 64.314 28.673 1.00 22.72 C ATOM 1514 CG1 VAL Z 231 6.605 63.499 28.606 1.00 14.97 C ATOM 1515 CG2 VAL Z 231 8.330 64.978 27.346 1.00 14.97 C ATOM 1516 N CYS Z 232 8.445 64.016 31.910 1.00 17.43 N ATOM 1517 CA CYS Z 232 8.115 63.301 33.144 1.00 17.43 C ATOM 1518 C CYS Z 232 7.480 64.228 34.177 1.00 17.43 C ATOM 1519 O CYS Z 232 6.575 63.858 34.959 1.00 17.43 O ATOM 1520 CB CYS Z 232 9.344 62.513 33.730 1.00 17.43 C ATOM 1521 SG CYS Z 232 10.414 63.651 34.562 1.00 18.00 S ATOM 1522 N ASN Z 233 7.635 65.482 34.003 1.00 11.06 N ATOM 1523 CA ASN Z 233 6.933 66.351 34.911 1.00 11.06 C ATOM 1524 C ASN Z 233 5.512 66.719 34.497 1.00 11.06 C ATOM 1525 O ASN Z 233 5.026 67.755 34.989 1.00 11.06 O ATOM 1526 CB ASN Z 233 7.686 67.693 35.002 1.00 11.06 C ATOM 1527 CG ASN Z 233 9.001 67.581 35.799 1.00 25.37 C ATOM 1528 OD1 ASN Z 233 9.180 66.639 36.591 1.00 25.37 O ATOM 1529 ND2 ASN Z 233 9.789 68.624 35.800 1.00 25.37 N ATOM 1530 N TYR Z 234 5.100 66.325 33.354 1.00 15.24 N ATOM 1531 CA TYR Z 234 3.878 66.937 32.791 1.00 15.24 C ATOM 1532 C TYR Z 234 2.815 65.854 32.710 1.00 15.24 C ATOM 1533 O TYR Z 234 1.852 66.035 31.953 1.00 15.24 O ATOM 1534 CB TYR Z 234 4.125 67.587 31.386 1.00 15.24 C ATOM 1535 CG TYR Z 234 4.949 68.867 31.497 1.00 15.76 C ATOM 1536 CD1 TYR Z 234 4.344 70.000 31.942 1.00 15.76 C ATOM 1537 CD2 TYR Z 234 6.308 68.858 31.241 1.00 15.76 C ATOM 1538 CE1 TYR Z 234 5.110 71.133 32.149 1.00 15.76 C ATOM 1539 CE2 TYR Z 234 7.090 69.980 31.488 1.00 15.76 C ATOM 1540 CZ TYR Z 234 6.481 71.103 31.919 1.00 15.76 C ATOM 1541 OH TYR Z 234 7.258 72.255 32.130 1.00 15.76 O ATOM 1542 N VAL Z 235 3.136 64.662 33.161 1.00 17.61 N ATOM 1543 CA VAL Z 235 2.322 63.482 32.824 1.00 17.61 C ATOM 1544 C VAL Z 235 0.913 63.584 33.386 1.00 17.61 C ATOM 1545 O VAL Z 235 -0.014 63.564 32.558 1.00 17.61 O ATOM 1546 CB VAL Z 235 2.980 62.127 33.223 1.00 17.61 C ATOM 1547 CG1 VAL Z 235 2.030 60.919 33.067 1.00 19.40 C ATOM 1548 CG2 VAL Z 235 4.255 61.857 32.382 1.00 19.40 C ATOM 1549 N SER Z 236 0.764 64.084 34.591 1.00 22.71 N ATOM 1550 CA SER Z 236 -0.561 64.444 35.072 1.00 22.71 C ATOM 1551 C SER Z 236 -1.341 65.467 34.242 1.00 22.71 C ATOM 1552 O SER Z 236 -2.516 65.156 33.926 1.00 22.71 O ATOM 1553 CB SER Z 236 -0.573 64.850 36.552 1.00 22.71 C ATOM 1554 OG SER Z 236 0.068 63.838 37.341 0.00 0.00 O ATOM 1555 N TRP Z 237 -0.734 66.638 33.984 1.00 20.32 N ATOM 1556 CA TRP Z 237 -1.210 67.666 33.074 1.00 20.32 C ATOM 1557 C TRP Z 237 -1.577 67.143 31.675 1.00 20.32 C ATOM 1558 O TRP Z 237 -2.691 67.386 31.162 1.00 20.32 O ATOM 1559 CB TRP Z 237 -0.278 68.876 33.015 1.00 20.32 C ATOM 1560 CG TRP Z 237 -0.858 69.898 31.994 1.00 14.05 C ATOM 1561 CD1 TRP Z 237 -1.774 70.852 32.231 1.00 14.05 C ATOM 1562 CD2 TRP Z 237 -0.510 70.065 30.621 1.00 14.05 C ATOM 1563 NE1 TRP Z 237 -2.034 71.606 31.032 1.00 14.05 N ATOM 1564 CE2 TRP Z 237 -1.304 71.142 30.104 1.00 14.05 C ATOM 1565 CE3 TRP Z 237 0.401 69.412 29.807 1.00 14.05 C ATOM 1566 CZ2 TRP Z 237 -1.169 71.619 28.803 1.00 14.05 C ATOM 1567 CZ3 TRP Z 237 0.529 69.886 28.487 1.00 14.05 C ATOM 1568 CH2 TRP Z 237 -0.213 70.972 27.986 1.00 14.05 C ATOM 1569 N ILE Z 238 -0.803 66.282 31.110 1.00 15.78 N ATOM 1570 CA ILE Z 238 -1.138 65.706 29.813 1.00 15.78 C ATOM 1571 C ILE Z 238 -2.379 64.814 29.832 1.00 15.78 C ATOM 1572 O ILE Z 238 -3.240 64.975 28.948 1.00 15.78 O ATOM 1573 CB ILE Z 238 0.086 64.895 29.287 1.00 15.78 C ATOM 1574 CG1 ILE Z 238 1.239 65.859 28.914 1.00 17.65 C ATOM 1575 CG2 ILE Z 238 -0.290 64.006 28.067 1.00 17.65 C ATOM 1576 CD1 ILE Z 238 2.487 65.109 28.432 1.00 17.65 C ATOM 1577 N LYS Z 239 -2.410 63.791 30.704 1.00 16.89 N ATOM 1578 CA LYS Z 239 -3.578 62.892 30.812 1.00 16.89 C ATOM 1579 C LYS Z 239 -4.875 63.636 31.169 1.00 16.89 C ATOM 1580 O LYS Z 239 -5.909 63.511 30.486 1.00 16.89 O ATOM 1581 CB LYS Z 239 -3.253 61.925 31.934 1.00 16.89 C ATOM 1582 CG LYS Z 239 -2.235 60.952 31.326 1.00 21.95 C ATOM 1583 CD LYS Z 239 -1.610 60.174 32.458 1.00 21.95 C ATOM 1584 CE LYS Z 239 -2.420 58.890 32.718 1.00 21.95 C ATOM 1585 NZ LYS Z 239 -3.716 59.128 33.379 0.00 0.00 N ATOM 1586 N GLN Z 240 -4.797 64.558 32.046 1.00 14.46 N ATOM 1587 CA GLN Z 240 -5.975 65.283 32.354 1.00 14.46 C ATOM 1588 C GLN Z 240 -6.462 66.279 31.309 1.00 14.46 C ATOM 1589 O GLN Z 240 -7.703 66.300 31.107 1.00 14.46 O ATOM 1590 CB GLN Z 240 -5.843 65.896 33.738 1.00 14.46 C ATOM 1591 CG GLN Z 240 -7.122 66.539 34.334 1.00 14.84 C ATOM 1592 CD GLN Z 240 -8.245 65.554 34.709 1.00 14.84 C ATOM 1593 OE1 GLN Z 240 -8.036 64.312 34.773 1.00 14.84 O ATOM 1594 NE2 GLN Z 240 -9.456 66.030 34.403 1.00 14.84 N ATOM 1595 N THR Z 241 -5.564 66.918 30.566 1.00 18.45 N ATOM 1596 CA THR Z 241 -5.890 67.777 29.389 1.00 18.45 C ATOM 1597 C THR Z 241 -6.415 67.019 28.159 1.00 18.45 C ATOM 1598 O THR Z 241 -7.482 67.430 27.625 1.00 18.45 O ATOM 1599 CB THR Z 241 -4.706 68.694 29.020 1.00 18.45 C ATOM 1600 OG1 THR Z 241 -4.249 69.325 30.198 1.00 14.89 O ATOM 1601 CG2 THR Z 241 -5.118 69.856 28.108 1.00 14.89 C ATOM 1602 N ILE Z 242 -5.846 65.826 27.860 1.00 14.90 N ATOM 1603 CA ILE Z 242 -6.349 64.930 26.767 1.00 14.90 C ATOM 1604 C ILE Z 242 -7.797 64.522 27.104 1.00 14.90 C ATOM 1605 O ILE Z 242 -8.693 64.352 26.239 1.00 14.90 O ATOM 1606 CB ILE Z 242 -5.594 63.577 26.609 1.00 14.90 C ATOM 1607 CG1 ILE Z 242 -4.115 63.621 26.235 1.00 24.27 C ATOM 1608 CG2 ILE Z 242 -6.385 62.628 25.683 1.00 24.27 C ATOM 1609 CD1 ILE Z 242 -3.755 64.960 25.588 1.00 24.27 C ATOM 1610 N ALA Z 243 -8.030 64.317 28.365 1.00 18.33 N ATOM 1611 CA ALA Z 243 -9.326 63.717 28.788 1.00 18.33 C ATOM 1612 C ALA Z 243 -10.461 64.747 28.844 1.00 18.33 C ATOM 1613 O ALA Z 243 -11.660 64.384 28.782 1.00 18.33 O ATOM 1614 CB ALA Z 243 -9.191 63.047 30.151 1.00 18.33 C ATOM 1615 N SER Z 244 -10.092 65.997 28.871 1.00 13.20 N ATOM 1616 CA SER Z 244 -11.084 66.984 29.113 1.00 13.20 C ATOM 1617 C SER Z 244 -11.168 67.961 27.994 1.00 13.20 C ATOM 1618 O SER Z 244 -11.585 69.102 28.272 1.00 13.20 O ATOM 1619 CB SER Z 244 -10.938 67.613 30.491 1.00 13.20 C ATOM 1620 OG SER Z 244 -9.642 68.221 30.680 1.00 32.83 O ATOM 1621 N ASN Z 245 -10.860 67.467 26.789 1.00 18.11 N ATOM 1622 CA ASN Z 245 -10.839 68.187 25.507 1.00 18.11 C ATOM 1623 C ASN Z 245 -11.256 67.295 24.333 1.00 18.11 C ATOM 1624 O ASN Z 245 -11.599 67.792 23.222 1.00 18.11 O ATOM 1625 CB ASN Z 245 -9.400 68.686 25.243 1.00 18.11 C ATOM 1626 CG ASN Z 245 -9.141 69.985 25.991 1.00 21.90 C ATOM 1627 OD1 ASN Z 245 -9.713 71.018 25.585 1.00 21.90 O ATOM 1628 ND2 ASN Z 245 -8.510 69.907 27.151 1.00 21.90 N ATOM 1629 OXT ASN Z 245 -11.297 66.047 24.471 1.00 13.71 O TER 1630 ASN Z 245 ATOM 1631 N ARG I 1 11.809 102.102 6.347 0.00 0.00 N ATOM 1632 CA ARG I 1 12.663 103.227 6.781 0.00 0.00 C ATOM 1633 C ARG I 1 13.713 103.050 7.888 0.00 0.00 C ATOM 1634 O ARG I 1 14.818 103.626 7.726 0.00 0.00 O ATOM 1635 CB ARG I 1 11.957 104.598 6.859 0.00 0.00 C ATOM 1636 CG ARG I 1 12.976 105.715 6.555 0.00 0.00 C ATOM 1637 CD ARG I 1 12.492 107.145 6.843 0.00 0.00 C ATOM 1638 NE ARG I 1 13.638 108.046 6.651 0.00 0.00 N ATOM 1639 CZ ARG I 1 13.569 109.308 6.281 0.00 0.00 C ATOM 1640 NH1 ARG I 1 12.399 109.881 6.083 0.00 0.00 N ATOM 1641 NH2 ARG I 1 14.679 110.005 6.129 0.00 0.00 N ATOM 1642 N PRO I 2 13.413 102.455 9.044 0.00 0.00 N ATOM 1643 CA PRO I 2 14.350 102.451 10.191 0.00 0.00 C ATOM 1644 C PRO I 2 15.675 101.675 10.148 0.00 0.00 C ATOM 1645 O PRO I 2 16.501 101.804 9.210 0.00 0.00 O ATOM 1646 CB PRO I 2 13.569 101.909 11.404 0.00 0.00 C ATOM 1647 CG PRO I 2 12.151 101.562 10.930 0.00 0.00 C ATOM 1648 CD PRO I 2 12.078 101.968 9.448 0.00 0.00 C ATOM 1649 N ASP I 3 16.010 101.436 11.392 1.00 21.38 N ATOM 1650 CA ASP I 3 17.329 101.260 12.166 1.00 21.38 C ATOM 1651 C ASP I 3 17.435 99.825 12.707 1.00 21.38 C ATOM 1652 O ASP I 3 18.233 99.044 12.114 1.00 21.38 O ATOM 1653 CB ASP I 3 17.325 102.218 13.370 0.00 0.00 C ATOM 1654 CG ASP I 3 18.380 101.779 14.381 0.00 0.00 C ATOM 1655 OD1 ASP I 3 18.132 101.912 15.607 0.00 0.00 O ATOM 1656 OD2 ASP I 3 19.579 101.659 14.019 0.00 0.00 O ATOM 1657 N PHE I 4 16.340 99.309 13.339 1.00 16.32 N ATOM 1658 CA PHE I 4 16.109 97.840 13.449 1.00 16.32 C ATOM 1659 C PHE I 4 16.027 97.096 12.076 1.00 16.32 C ATOM 1660 O PHE I 4 16.351 95.873 11.946 1.00 16.32 O ATOM 1661 CB PHE I 4 14.979 97.491 14.464 1.00 16.32 C ATOM 1662 CG PHE I 4 13.545 97.636 13.892 1.00 13.15 C ATOM 1663 CD1 PHE I 4 13.074 96.734 12.965 1.00 13.15 C ATOM 1664 CD2 PHE I 4 12.780 98.741 14.211 1.00 13.15 C ATOM 1665 CE1 PHE I 4 11.832 96.912 12.355 1.00 13.15 C ATOM 1666 CE2 PHE I 4 11.553 98.935 13.594 1.00 13.15 C ATOM 1667 CZ PHE I 4 11.069 98.030 12.687 1.00 13.15 C ATOM 1668 N CYS I 5 15.632 97.831 11.041 1.00 12.62 N ATOM 1669 CA CYS I 5 15.579 97.352 9.650 1.00 12.62 C ATOM 1670 C CYS I 5 16.942 97.027 9.062 1.00 12.62 C ATOM 1671 O CYS I 5 17.038 96.309 8.034 1.00 12.62 O ATOM 1672 CB CYS I 5 14.900 98.355 8.739 1.00 12.62 C ATOM 1673 SG CYS I 5 13.154 98.630 9.153 1.00 14.67 S ATOM 1674 N LEU I 6 17.964 97.491 9.752 1.00 19.02 N ATOM 1675 CA LEU I 6 19.310 97.309 9.226 1.00 19.02 C ATOM 1676 C LEU I 6 19.991 96.143 9.902 1.00 19.02 C ATOM 1677 O LEU I 6 20.976 95.618 9.338 1.00 19.02 O ATOM 1678 CB LEU I 6 20.190 98.560 9.315 1.00 19.02 C ATOM 1679 CG LEU I 6 19.569 99.772 8.644 1.00 23.72 C ATOM 1680 CD1 LEU I 6 20.479 100.991 8.841 1.00 23.72 C ATOM 1681 CD2 LEU I 6 19.177 99.558 7.183 1.00 23.72 C ATOM 1682 N GLU I 7 19.395 95.663 10.973 1.00 19.10 N ATOM 1683 CA GLU I 7 20.000 94.524 11.657 1.00 19.10 C ATOM 1684 C GLU I 7 20.005 93.213 10.874 1.00 19.10 C ATOM 1685 O GLU I 7 19.241 92.979 9.912 1.00 19.10 O ATOM 1686 CB GLU I 7 19.344 94.318 13.029 1.00 19.10 C ATOM 1687 CG GLU I 7 19.469 95.567 13.920 0.00 0.00 C ATOM 1688 CD GLU I 7 19.093 95.157 15.337 0.00 0.00 C ATOM 1689 OE1 GLU I 7 19.012 93.927 15.594 0.00 0.00 O ATOM 1690 OE2 GLU I 7 19.307 95.958 16.283 0.00 0.00 O ATOM 1691 N PRO I 8 20.944 92.381 11.114 1.00 17.93 N ATOM 1692 CA PRO I 8 20.887 91.117 10.436 1.00 17.93 C ATOM 1693 C PRO I 8 19.792 90.215 11.032 1.00 17.93 C ATOM 1694 O PRO I 8 19.507 90.297 12.241 1.00 17.93 O ATOM 1695 CB PRO I 8 22.238 90.495 10.704 1.00 17.93 C ATOM 1696 CG PRO I 8 22.881 91.253 11.885 1.00 20.26 C ATOM 1697 CD PRO I 8 22.073 92.525 12.044 1.00 20.26 C ATOM 1698 N PRO I 9 19.308 89.281 10.272 1.00 18.10 N ATOM 1699 CA PRO I 9 18.297 88.333 10.679 1.00 18.10 C ATOM 1700 C PRO I 9 18.725 87.464 11.833 1.00 18.10 C ATOM 1701 O PRO I 9 19.892 87.037 11.888 1.00 18.10 O ATOM 1702 CB PRO I 9 18.102 87.376 9.505 1.00 18.10 C ATOM 1703 CG PRO I 9 19.233 87.653 8.537 1.00 14.17 C ATOM 1704 CD PRO I 9 19.789 89.025 8.917 1.00 14.17 C ATOM 1705 N TYR I 10 17.829 87.193 12.721 1.00 12.98 N ATOM 1706 CA TYR I 10 18.194 86.391 13.863 1.00 12.98 C ATOM 1707 C TYR I 10 17.377 85.117 13.930 1.00 12.98 C ATOM 1708 O TYR I 10 16.197 85.251 14.302 1.00 12.98 O ATOM 1709 CB TYR I 10 17.714 87.298 14.986 1.00 12.98 C ATOM 1710 CG TYR I 10 18.119 86.793 16.369 1.00 19.70 C ATOM 1711 CD1 TYR I 10 17.162 86.491 17.308 1.00 19.70 C ATOM 1712 CD2 TYR I 10 19.436 86.541 16.602 1.00 19.70 C ATOM 1713 CE1 TYR I 10 17.528 85.952 18.511 1.00 19.70 C ATOM 1714 CE2 TYR I 10 19.810 85.993 17.798 1.00 19.70 C ATOM 1715 CZ TYR I 10 18.865 85.715 18.743 1.00 19.70 C ATOM 1716 OH TYR I 10 19.293 85.199 19.971 1.00 19.70 O ATOM 1717 N THR I 11 17.976 83.986 13.711 1.00 10.30 N ATOM 1718 CA THR I 11 17.329 82.712 13.958 1.00 10.30 C ATOM 1719 C THR I 11 16.971 82.489 15.426 1.00 10.30 C ATOM 1720 O THR I 11 15.888 81.938 15.709 1.00 10.30 O ATOM 1721 CB THR I 11 18.180 81.579 13.379 1.00 10.30 C ATOM 1722 OG1 THR I 11 18.271 81.744 11.980 1.00 11.47 O ATOM 1723 CG2 THR I 11 17.636 80.187 13.625 1.00 11.47 C ATOM 1724 N GLY I 12 17.851 82.752 16.365 1.00 14.13 N ATOM 1725 CA GLY I 12 17.566 82.423 17.796 1.00 14.13 C ATOM 1726 C GLY I 12 17.815 80.945 18.185 1.00 14.13 C ATOM 1727 O GLY I 12 18.216 80.097 17.346 1.00 14.13 O ATOM 1728 N PRO I 13 17.518 80.588 19.426 1.00 9.61 N ATOM 1729 CA PRO I 13 18.002 79.301 19.973 1.00 9.61 C ATOM 1730 C PRO I 13 17.065 78.143 19.836 1.00 9.61 C ATOM 1731 O PRO I 13 17.563 76.985 19.859 1.00 9.61 O ATOM 1732 CB PRO I 13 18.101 79.478 21.472 1.00 9.61 C ATOM 1733 CG PRO I 13 17.438 80.786 21.824 1.00 7.05 C ATOM 1734 CD PRO I 13 17.178 81.539 20.510 1.00 7.05 C ATOM 1735 N CYS I 14 15.790 78.499 19.574 1.00 10.60 N ATOM 1736 CA CYS I 14 14.791 77.454 19.317 1.00 10.60 C ATOM 1737 C CYS I 14 14.999 76.731 17.984 1.00 10.60 C ATOM 1738 O CYS I 14 15.752 77.238 17.127 1.00 10.60 O ATOM 1739 CB CYS I 14 13.311 77.892 19.605 1.00 10.60 C ATOM 1740 SG CYS I 14 13.046 78.457 21.264 1.00 11.90 S ATOM 1741 N LYS I 15 14.561 75.480 17.879 1.00 14.54 N ATOM 1742 CA LYS I 15 14.792 74.538 16.776 1.00 14.54 C ATOM 1743 C LYS I 15 13.576 74.190 15.901 1.00 14.54 C ATOM 1744 O LYS I 15 13.574 73.145 15.222 1.00 14.54 O ATOM 1745 CB LYS I 15 15.482 73.238 17.288 1.00 14.54 C ATOM 1746 CG LYS I 15 16.764 73.618 18.073 1.00 10.93 C ATOM 1747 CD LYS I 15 17.683 72.440 18.343 1.00 10.93 C ATOM 1748 CE LYS I 15 18.756 72.781 19.392 1.00 10.93 C ATOM 1749 NZ LYS I 15 19.491 71.551 19.778 1.00 10.93 N ATOM 1750 N ALA I 16 12.780 75.169 15.637 1.00 11.39 N ATOM 1751 CA ALA I 16 11.817 75.074 14.537 1.00 11.39 C ATOM 1752 C ALA I 16 12.417 75.654 13.254 1.00 11.39 C ATOM 1753 O ALA I 16 13.505 76.281 13.244 1.00 11.39 O ATOM 1754 CB ALA I 16 10.541 75.830 14.927 1.00 11.39 C ATOM 1755 N ARG I 17 11.870 75.249 12.202 1.00 11.55 N ATOM 1756 CA ARG I 17 12.213 75.714 10.891 1.00 11.55 C ATOM 1757 C ARG I 17 11.049 76.534 10.291 1.00 11.55 C ATOM 1758 O ARG I 17 10.266 76.025 9.448 1.00 11.55 O ATOM 1759 CB ARG I 17 12.473 74.434 10.115 1.00 11.55 C ATOM 1760 CG ARG I 17 13.505 74.627 9.008 1.00 31.67 C ATOM 1761 CD ARG I 17 12.847 75.245 7.796 1.00 31.67 C ATOM 1762 NE ARG I 17 12.091 74.213 7.148 1.00 31.67 N ATOM 1763 CZ ARG I 17 12.395 73.907 5.918 1.00 31.67 C ATOM 1764 NH1 ARG I 17 13.303 74.639 5.303 1.00 31.67 N ATOM 1765 NH2 ARG I 17 11.551 73.184 5.212 1.00 31.67 N ATOM 1766 N ILE I 18 10.911 77.741 10.765 1.00 13.02 N ATOM 1767 CA ILE I 18 9.864 78.684 10.396 1.00 13.02 C ATOM 1768 C ILE I 18 10.343 79.764 9.435 1.00 13.02 C ATOM 1769 O ILE I 18 11.354 80.457 9.709 1.00 13.02 O ATOM 1770 CB ILE I 18 9.216 79.302 11.665 1.00 13.02 C ATOM 1771 CG1 ILE I 18 8.663 78.205 12.611 1.00 7.88 C ATOM 1772 CG2 ILE I 18 8.138 80.327 11.271 1.00 7.88 C ATOM 1773 CD1 ILE I 18 8.074 78.813 13.881 1.00 7.88 C ATOM 1774 N ILE I 19 9.764 79.850 8.228 1.00 12.79 N ATOM 1775 CA ILE I 19 10.272 80.849 7.234 1.00 12.79 C ATOM 1776 C ILE I 19 9.556 82.210 7.317 1.00 12.79 C ATOM 1777 O ILE I 19 8.305 82.251 7.395 1.00 12.79 O ATOM 1778 CB ILE I 19 10.245 80.343 5.792 1.00 12.79 C ATOM 1779 CG1 ILE I 19 11.058 79.057 5.637 1.00 11.58 C ATOM 1780 CG2 ILE I 19 10.645 81.398 4.755 1.00 11.58 C ATOM 1781 CD1 ILE I 19 10.296 78.078 4.719 1.00 11.58 C ATOM 1782 N ARG I 20 10.354 83.220 7.593 1.00 9.72 N ATOM 1783 CA ARG I 20 10.031 84.600 7.982 1.00 9.72 C ATOM 1784 C ARG I 20 10.726 85.535 7.019 1.00 9.72 C ATOM 1785 O ARG I 20 11.347 84.972 6.081 1.00 9.72 O ATOM 1786 CB ARG I 20 10.534 84.838 9.418 1.00 9.72 C ATOM 1787 CG ARG I 20 9.595 84.214 10.468 1.00 14.73 C ATOM 1788 CD ARG I 20 8.143 84.787 10.451 1.00 14.73 C ATOM 1789 NE ARG I 20 7.348 84.080 11.474 1.00 14.73 N ATOM 1790 CZ ARG I 20 7.221 84.386 12.765 1.00 14.73 C ATOM 1791 NH1 ARG I 20 7.856 85.399 13.333 1.00 14.73 N ATOM 1792 NH2 ARG I 20 6.523 83.598 13.547 1.00 14.73 N ATOM 1793 N TYR I 21 10.519 86.858 7.125 1.00 8.45 N ATOM 1794 CA TYR I 21 11.131 87.764 6.134 1.00 8.45 C ATOM 1795 C TYR I 21 11.930 88.782 6.861 1.00 8.45 C ATOM 1796 O TYR I 21 11.525 89.111 7.990 1.00 8.45 O ATOM 1797 CB TYR I 21 10.104 88.593 5.306 1.00 8.45 C ATOM 1798 CG TYR I 21 9.421 87.674 4.275 1.00 11.55 C ATOM 1799 CD1 TYR I 21 8.434 86.769 4.663 1.00 11.55 C ATOM 1800 CD2 TYR I 21 9.834 87.755 2.949 1.00 11.55 C ATOM 1801 CE1 TYR I 21 7.828 85.937 3.706 1.00 11.55 C ATOM 1802 CE2 TYR I 21 9.244 86.945 1.975 1.00 11.55 C ATOM 1803 CZ TYR I 21 8.250 86.030 2.357 1.00 11.55 C ATOM 1804 OH TYR I 21 7.674 85.233 1.335 1.00 11.55 O ATOM 1805 N PHE I 22 13.005 89.228 6.229 1.00 14.18 N ATOM 1806 CA PHE I 22 13.825 90.291 6.828 1.00 14.18 C ATOM 1807 C PHE I 22 14.199 91.282 5.765 1.00 14.18 C ATOM 1808 O PHE I 22 14.213 90.933 4.561 1.00 14.18 O ATOM 1809 CB PHE I 22 15.129 89.807 7.530 1.00 14.18 C ATOM 1810 CG PHE I 22 16.251 89.343 6.561 1.00 5.66 C ATOM 1811 CD1 PHE I 22 17.350 90.124 6.397 1.00 5.66 C ATOM 1812 CD2 PHE I 22 16.200 88.116 5.949 1.00 5.66 C ATOM 1813 CE1 PHE I 22 18.356 89.725 5.526 1.00 5.66 C ATOM 1814 CE2 PHE I 22 17.232 87.703 5.084 1.00 5.66 C ATOM 1815 CZ PHE I 22 18.282 88.524 4.868 1.00 5.66 C ATOM 1816 N TYR I 23 14.365 92.475 6.207 1.00 13.23 N ATOM 1817 CA TYR I 23 14.720 93.462 5.250 1.00 13.23 C ATOM 1818 C TYR I 23 16.208 93.385 4.943 1.00 13.23 C ATOM 1819 O TYR I 23 17.044 93.525 5.851 1.00 13.23 O ATOM 1820 CB TYR I 23 14.340 94.842 5.815 1.00 13.23 C ATOM 1821 CG TYR I 23 14.567 95.974 4.795 1.00 16.88 C ATOM 1822 CD1 TYR I 23 15.525 96.935 5.082 1.00 16.88 C ATOM 1823 CD2 TYR I 23 13.971 95.929 3.566 1.00 16.88 C ATOM 1824 CE1 TYR I 23 15.881 97.873 4.156 1.00 16.88 C ATOM 1825 CE2 TYR I 23 14.315 96.883 2.604 1.00 16.88 C ATOM 1826 CZ TYR I 23 15.263 97.864 2.911 1.00 16.88 C ATOM 1827 OH TYR I 23 15.671 98.838 1.920 1.00 16.88 O ATOM 1828 N ASN I 24 16.563 93.163 3.725 1.00 17.83 N ATOM 1829 CA ASN I 24 17.981 93.145 3.445 1.00 17.83 C ATOM 1830 C ASN I 24 18.390 94.451 2.803 1.00 17.83 C ATOM 1831 O ASN I 24 17.918 94.788 1.690 1.00 17.83 O ATOM 1832 CB ASN I 24 18.328 91.951 2.554 1.00 17.83 C ATOM 1833 CG ASN I 24 19.818 91.834 2.343 1.00 24.21 C ATOM 1834 OD1 ASN I 24 20.619 92.676 2.805 1.00 24.21 O ATOM 1835 ND2 ASN I 24 20.127 90.865 1.537 1.00 24.21 N ATOM 1836 N ALA I 25 19.016 95.288 3.586 1.00 21.95 N ATOM 1837 CA ALA I 25 19.294 96.635 3.051 1.00 21.95 C ATOM 1838 C ALA I 25 20.305 96.602 1.896 1.00 21.95 C ATOM 1839 O ALA I 25 20.304 97.490 1.018 1.00 21.95 O ATOM 1840 CB ALA I 25 19.726 97.647 4.134 1.00 21.95 C ATOM 1841 N LYS I 26 21.133 95.598 1.836 1.00 30.36 N ATOM 1842 CA LYS I 26 22.180 95.675 0.788 1.00 30.36 C ATOM 1843 C LYS I 26 21.596 95.378 -0.577 1.00 30.36 C ATOM 1844 O LYS I 26 21.628 96.307 -1.426 1.00 30.36 O ATOM 1845 CB LYS I 26 23.401 94.770 1.026 1.00 30.36 C ATOM 1846 CG LYS I 26 24.049 94.975 2.407 0.00 0.00 C ATOM 1847 CD LYS I 26 25.231 94.007 2.611 0.00 0.00 C ATOM 1848 CE LYS I 26 25.886 94.167 3.995 0.00 0.00 C ATOM 1849 NZ LYS I 26 26.996 93.214 4.133 0.00 0.00 N ATOM 1850 N ALA I 27 20.736 94.359 -0.571 1.00 19.40 N ATOM 1851 CA ALA I 27 19.805 94.073 -1.683 1.00 19.40 C ATOM 1852 C ALA I 27 18.737 95.138 -1.901 1.00 19.40 C ATOM 1853 O ALA I 27 18.259 95.240 -3.045 1.00 19.40 O ATOM 1854 CB ALA I 27 19.104 92.734 -1.488 1.00 19.40 C ATOM 1855 N GLY I 28 18.274 95.809 -0.876 1.00 24.55 N ATOM 1856 CA GLY I 28 17.073 96.645 -1.063 1.00 24.55 C ATOM 1857 C GLY I 28 15.835 95.757 -1.333 1.00 24.55 C ATOM 1858 O GLY I 28 14.926 96.019 -2.173 1.00 24.55 O ATOM 1859 N LEU I 29 15.817 94.648 -0.658 1.00 21.22 N ATOM 1860 CA LEU I 29 14.597 93.852 -0.637 1.00 21.22 C ATOM 1861 C LEU I 29 14.333 93.085 0.630 1.00 21.22 C ATOM 1862 O LEU I 29 15.328 92.776 1.305 1.00 21.22 O ATOM 1863 CB LEU I 29 14.257 93.049 -1.889 1.00 21.22 C ATOM 1864 CG LEU I 29 15.352 92.184 -2.477 1.00 25.05 C ATOM 1865 CD1 LEU I 29 16.003 91.315 -1.416 1.00 25.05 C ATOM 1866 CD2 LEU I 29 14.758 91.366 -3.634 1.00 25.05 C ATOM 1867 N CYS I 30 13.135 92.546 0.754 1.00 9.38 N ATOM 1868 CA CYS I 30 12.834 91.631 1.820 1.00 9.38 C ATOM 1869 C CYS I 30 13.094 90.230 1.329 1.00 9.38 C ATOM 1870 O CYS I 30 12.713 89.882 0.180 1.00 9.38 O ATOM 1871 CB CYS I 30 11.359 91.822 2.258 1.00 9.38 C ATOM 1872 SG CYS I 30 11.066 93.426 3.017 1.00 14.08 S ATOM 1873 N GLN I 31 13.868 89.494 2.143 1.00 5.70 N ATOM 1874 CA GLN I 31 14.220 88.116 1.852 1.00 5.70 C ATOM 1875 C GLN I 31 13.689 87.164 2.918 1.00 5.70 C ATOM 1876 O GLN I 31 13.537 87.619 4.076 1.00 5.70 O ATOM 1877 CB GLN I 31 15.742 88.019 1.886 1.00 5.70 C ATOM 1878 CG GLN I 31 16.238 89.000 0.864 1.00 36.06 C ATOM 1879 CD GLN I 31 17.443 88.377 0.200 1.00 36.06 C ATOM 1880 OE1 GLN I 31 18.514 89.032 0.153 1.00 36.06 O ATOM 1881 NE2 GLN I 31 17.040 87.583 -0.761 1.00 36.06 N ATOM 1882 N THR I 32 13.730 85.871 2.634 1.00 9.12 N ATOM 1883 CA THR I 32 13.379 84.846 3.645 1.00 9.12 C ATOM 1884 C THR I 32 14.610 84.267 4.362 1.00 9.12 C ATOM 1885 O THR I 32 15.752 84.204 3.789 1.00 9.12 O ATOM 1886 CB THR I 32 12.709 83.707 2.871 1.00 9.12 C ATOM 1887 OG1 THR I 32 13.625 83.236 1.887 1.00 7.70 O ATOM 1888 CG2 THR I 32 11.431 84.084 2.111 1.00 7.70 C ATOM 1889 N PHE I 33 14.336 83.724 5.526 1.00 8.41 N ATOM 1890 CA PHE I 33 15.380 83.203 6.442 1.00 8.41 C ATOM 1891 C PHE I 33 14.733 82.247 7.406 1.00 8.41 C ATOM 1892 O PHE I 33 13.472 82.268 7.336 1.00 8.41 O ATOM 1893 CB PHE I 33 16.042 84.405 7.139 1.00 8.41 C ATOM 1894 CG PHE I 33 15.349 84.913 8.395 1.00 12.11 C ATOM 1895 CD1 PHE I 33 15.760 84.438 9.635 1.00 12.11 C ATOM 1896 CD2 PHE I 33 14.414 85.921 8.315 1.00 12.11 C ATOM 1897 CE1 PHE I 33 15.202 84.955 10.802 1.00 12.11 C ATOM 1898 CE2 PHE I 33 13.855 86.439 9.481 1.00 12.11 C ATOM 1899 CZ PHE I 33 14.252 85.962 10.727 1.00 12.11 C ATOM 1900 N VAL I 34 15.500 81.314 8.009 1.00 13.12 N ATOM 1901 CA VAL I 34 14.947 80.300 8.960 1.00 13.12 C ATOM 1902 C VAL I 34 14.810 80.763 10.391 1.00 13.12 C ATOM 1903 O VAL I 34 15.757 81.390 10.909 1.00 13.12 O ATOM 1904 CB VAL I 34 15.647 78.963 8.873 1.00 13.12 C ATOM 1905 CG1 VAL I 34 15.203 77.927 9.957 1.00 8.43 C ATOM 1906 CG2 VAL I 34 15.383 78.408 7.481 1.00 8.43 C ATOM 1907 N TYR I 35 13.594 80.922 10.865 1.00 7.67 N ATOM 1908 CA TYR I 35 13.467 81.490 12.196 1.00 7.67 C ATOM 1909 C TYR I 35 13.183 80.374 13.186 1.00 7.67 C ATOM 1910 O TYR I 35 12.563 79.401 12.727 1.00 7.67 O ATOM 1911 CB TYR I 35 12.405 82.625 12.215 1.00 7.67 C ATOM 1912 CG TYR I 35 11.981 82.971 13.634 1.00 10.54 C ATOM 1913 CD1 TYR I 35 12.932 83.382 14.576 1.00 10.54 C ATOM 1914 CD2 TYR I 35 10.631 82.893 13.978 1.00 10.54 C ATOM 1915 CE1 TYR I 35 12.529 83.737 15.885 1.00 10.54 C ATOM 1916 CE2 TYR I 35 10.207 83.269 15.253 1.00 10.54 C ATOM 1917 CZ TYR I 35 11.157 83.714 16.215 1.00 10.54 C ATOM 1918 OH TYR I 35 10.717 84.111 17.528 1.00 10.54 O ATOM 1919 N GLY I 36 13.923 80.285 14.292 1.00 10.12 N ATOM 1920 CA GLY I 36 13.879 79.123 15.190 1.00 10.12 C ATOM 1921 C GLY I 36 12.602 79.026 16.033 1.00 10.12 C ATOM 1922 O GLY I 36 12.293 77.950 16.552 1.00 10.12 O ATOM 1923 N GLY I 37 11.772 79.993 16.067 1.00 9.64 N ATOM 1924 CA GLY I 37 10.606 79.825 16.907 1.00 9.64 C ATOM 1925 C GLY I 37 10.513 80.774 18.097 1.00 9.64 C ATOM 1926 O GLY I 37 9.459 80.820 18.750 1.00 9.64 O ATOM 1927 N CYS I 38 11.611 81.328 18.565 1.00 15.68 N ATOM 1928 CA CYS I 38 11.619 82.107 19.784 1.00 15.68 C ATOM 1929 C CYS I 38 12.672 83.183 19.756 1.00 15.68 C ATOM 1930 O CYS I 38 13.738 82.991 19.127 1.00 15.68 O ATOM 1931 CB CYS I 38 11.825 81.216 21.026 1.00 15.68 C ATOM 1932 SG CYS I 38 13.416 80.378 21.206 1.00 13.91 S ATOM 1933 N ARG I 39 12.382 84.198 20.491 1.00 12.92 N ATOM 1934 CA ARG I 39 13.188 85.354 20.803 1.00 12.92 C ATOM 1935 C ARG I 39 13.453 86.249 19.588 1.00 12.92 C ATOM 1936 O ARG I 39 14.557 86.831 19.495 1.00 12.92 O ATOM 1937 CB ARG I 39 14.474 84.933 21.548 1.00 12.92 C ATOM 1938 CG ARG I 39 14.193 84.209 22.891 1.00 28.06 C ATOM 1939 CD ARG I 39 15.544 83.939 23.582 1.00 28.06 C ATOM 1940 NE ARG I 39 15.383 83.614 25.011 1.00 28.06 N ATOM 1941 CZ ARG I 39 16.238 82.731 25.599 1.00 28.06 C ATOM 1942 NH1 ARG I 39 17.210 82.175 24.912 1.00 28.06 N ATOM 1943 NH2 ARG I 39 16.027 82.219 26.806 1.00 28.06 N ATOM 1944 N ALA I 40 12.502 86.339 18.677 1.00 14.72 N ATOM 1945 CA ALA I 40 12.664 87.215 17.514 1.00 14.72 C ATOM 1946 C ALA I 40 13.062 88.641 17.896 1.00 14.72 C ATOM 1947 O ALA I 40 12.518 89.251 18.855 1.00 14.72 O ATOM 1948 CB ALA I 40 11.313 87.334 16.768 1.00 14.72 C ATOM 1949 N LYS I 41 13.806 89.211 17.001 1.00 14.88 N ATOM 1950 CA LYS I 41 14.173 90.610 16.898 1.00 14.88 C ATOM 1951 C LYS I 41 13.202 91.286 15.931 1.00 14.88 C ATOM 1952 O LYS I 41 12.253 90.629 15.444 1.00 14.88 O ATOM 1953 CB LYS I 41 15.638 90.585 16.363 1.00 14.88 C ATOM 1954 CG LYS I 41 16.602 90.251 17.534 1.00 26.25 C ATOM 1955 CD LYS I 41 18.108 90.415 17.243 1.00 26.25 C ATOM 1956 CE LYS I 41 18.939 89.997 18.487 1.00 26.25 C ATOM 1957 NZ LYS I 41 20.371 90.075 18.173 0.00 0.00 N ATOM 1958 N ARG I 42 13.274 92.566 15.783 1.00 11.34 N ATOM 1959 CA ARG I 42 12.259 93.303 15.036 1.00 11.34 C ATOM 1960 C ARG I 42 12.313 93.210 13.522 1.00 11.34 C ATOM 1961 O ARG I 42 11.286 93.391 12.821 1.00 11.34 O ATOM 1962 CB ARG I 42 12.129 94.786 15.499 1.00 11.34 C ATOM 1963 CG ARG I 42 11.565 94.900 16.898 1.00 15.70 C ATOM 1964 CD ARG I 42 11.383 96.363 17.257 1.00 15.70 C ATOM 1965 NE ARG I 42 12.749 96.888 17.423 1.00 15.70 N ATOM 1966 CZ ARG I 42 13.008 98.162 17.636 1.00 15.70 C ATOM 1967 NH1 ARG I 42 12.024 99.009 17.814 1.00 15.70 N ATOM 1968 NH2 ARG I 42 14.197 98.524 18.073 1.00 15.70 N ATOM 1969 N ASN I 43 13.415 92.796 13.019 1.00 15.24 N ATOM 1970 CA ASN I 43 13.510 92.551 11.587 1.00 15.24 C ATOM 1971 C ASN I 43 13.082 91.143 11.206 1.00 15.24 C ATOM 1972 O ASN I 43 13.919 90.263 10.921 1.00 15.24 O ATOM 1973 CB ASN I 43 14.955 92.789 11.160 1.00 15.24 C ATOM 1974 CG ASN I 43 15.022 93.230 9.714 1.00 16.87 C ATOM 1975 OD1 ASN I 43 13.986 93.109 9.010 1.00 16.87 O ATOM 1976 ND2 ASN I 43 16.253 93.064 9.236 1.00 16.87 N ATOM 1977 N ASN I 44 11.833 90.849 11.418 1.00 9.48 N ATOM 1978 CA ASN I 44 11.314 89.492 11.294 1.00 9.48 C ATOM 1979 C ASN I 44 9.794 89.604 11.101 1.00 9.48 C ATOM 1980 O ASN I 44 9.102 90.116 12.010 1.00 9.48 O ATOM 1981 CB ASN I 44 11.640 88.742 12.597 1.00 9.48 C ATOM 1982 CG ASN I 44 11.185 87.281 12.639 1.00 15.21 C ATOM 1983 OD1 ASN I 44 10.136 86.908 12.094 1.00 15.21 O ATOM 1984 ND2 ASN I 44 11.665 86.538 13.600 1.00 15.21 N ATOM 1985 N PHE I 45 9.379 89.373 9.901 1.00 12.41 N ATOM 1986 CA PHE I 45 8.031 89.661 9.347 1.00 12.41 C ATOM 1987 C PHE I 45 7.380 88.403 8.840 1.00 12.41 C ATOM 1988 O PHE I 45 8.076 87.460 8.408 1.00 12.41 O ATOM 1989 CB PHE I 45 8.132 90.670 8.179 1.00 12.41 C ATOM 1990 CG PHE I 45 8.731 91.971 8.718 1.00 9.75 C ATOM 1991 CD1 PHE I 45 10.055 92.262 8.508 1.00 9.75 C ATOM 1992 CD2 PHE I 45 7.966 92.828 9.458 1.00 9.75 C ATOM 1993 CE1 PHE I 45 10.580 93.436 8.955 1.00 9.75 C ATOM 1994 CE2 PHE I 45 8.509 94.017 9.936 1.00 9.75 C ATOM 1995 CZ PHE I 45 9.807 94.341 9.657 1.00 9.75 C ATOM 1996 N LYS I 46 6.094 88.281 9.023 1.00 18.07 N ATOM 1997 CA LYS I 46 5.437 87.076 8.564 1.00 18.07 C ATOM 1998 C LYS I 46 5.132 87.055 7.076 1.00 18.07 C ATOM 1999 O LYS I 46 4.941 85.928 6.578 1.00 18.07 O ATOM 2000 CB LYS I 46 4.101 86.938 9.285 1.00 18.07 C ATOM 2001 CG LYS I 46 4.381 86.349 10.655 1.00 29.12 C ATOM 2002 CD LYS I 46 3.214 86.642 11.591 1.00 29.12 C ATOM 2003 CE LYS I 46 3.268 85.700 12.795 1.00 29.12 C ATOM 2004 NZ LYS I 46 2.110 86.024 13.639 1.00 29.12 N ATOM 2005 N SER I 47 5.162 88.204 6.410 1.00 10.80 N ATOM 2006 CA SER I 47 4.989 88.224 4.940 1.00 10.80 C ATOM 2007 C SER I 47 5.898 89.268 4.311 1.00 10.80 C ATOM 2008 O SER I 47 6.349 90.239 4.997 1.00 10.80 O ATOM 2009 CB SER I 47 3.491 88.521 4.563 1.00 10.80 C ATOM 2010 OG SER I 47 3.197 89.914 4.843 1.00 14.60 O ATOM 2011 N ALA I 48 6.244 89.032 3.070 1.00 10.00 N ATOM 2012 CA ALA I 48 6.917 90.121 2.397 1.00 10.00 C ATOM 2013 C ALA I 48 6.208 91.478 2.531 1.00 10.00 C ATOM 2014 O ALA I 48 6.817 92.570 2.450 1.00 10.00 O ATOM 2015 CB ALA I 48 7.014 89.743 0.915 1.00 10.00 C ATOM 2016 N GLU I 49 4.916 91.514 2.559 1.00 15.05 N ATOM 2017 CA GLU I 49 4.321 92.856 2.434 1.00 15.05 C ATOM 2018 C GLU I 49 4.430 93.642 3.722 1.00 15.05 C ATOM 2019 O GLU I 49 4.464 94.905 3.691 1.00 15.05 O ATOM 2020 CB GLU I 49 2.800 92.713 2.180 1.00 15.05 C ATOM 2021 CG GLU I 49 2.450 92.210 0.780 1.00 30.79 C ATOM 2022 CD GLU I 49 2.600 90.689 0.722 1.00 30.79 C ATOM 2023 OE1 GLU I 49 2.582 90.006 1.771 1.00 30.79 O ATOM 2024 OE2 GLU I 49 2.616 90.083 -0.373 1.00 30.79 O ATOM 2025 N ASP I 50 4.481 92.906 4.819 1.00 10.64 N ATOM 2026 CA ASP I 50 4.577 93.595 6.136 1.00 10.64 C ATOM 2027 C ASP I 50 5.990 94.098 6.287 1.00 10.64 C ATOM 2028 O ASP I 50 6.198 95.231 6.743 1.00 10.64 O ATOM 2029 CB ASP I 50 4.423 92.691 7.376 1.00 10.64 C ATOM 2030 CG ASP I 50 3.016 92.159 7.584 1.00 21.01 C ATOM 2031 OD1 ASP I 50 2.095 92.604 6.857 1.00 21.01 O ATOM 2032 OD2 ASP I 50 2.745 91.406 8.565 1.00 21.01 O ATOM 2033 N CYS I 51 6.870 93.338 5.710 1.00 15.19 N ATOM 2034 CA CYS I 51 8.258 93.761 5.583 1.00 15.19 C ATOM 2035 C CYS I 51 8.472 95.051 4.766 1.00 15.19 C ATOM 2036 O CYS I 51 9.132 96.033 5.205 1.00 15.19 O ATOM 2037 CB CYS I 51 9.076 92.567 5.083 1.00 15.19 C ATOM 2038 SG CYS I 51 10.850 92.898 4.895 1.00 15.83 S ATOM 2039 N MET I 52 7.886 95.071 3.595 1.00 20.20 N ATOM 2040 CA MET I 52 8.086 96.226 2.755 1.00 20.20 C ATOM 2041 C MET I 52 7.365 97.438 3.322 1.00 20.20 C ATOM 2042 O MET I 52 7.924 98.550 3.186 1.00 20.20 O ATOM 2043 CB MET I 52 7.777 95.878 1.263 1.00 20.20 C ATOM 2044 CG MET I 52 8.957 96.221 0.328 0.00 0.00 C ATOM 2045 SD MET I 52 8.889 95.393 -1.279 0.00 0.00 S ATOM 2046 CE MET I 52 7.548 94.243 -0.902 0.00 0.00 C ATOM 2047 N ARG I 53 6.243 97.211 4.044 1.00 15.47 N ATOM 2048 CA ARG I 53 5.486 98.337 4.635 1.00 15.47 C ATOM 2049 C ARG I 53 6.326 98.963 5.708 1.00 15.47 C ATOM 2050 O ARG I 53 6.397 100.202 5.720 1.00 15.47 O ATOM 2051 CB ARG I 53 4.097 97.911 5.237 1.00 15.47 C ATOM 2052 CG ARG I 53 3.071 99.059 5.532 1.00 18.50 C ATOM 2053 CD ARG I 53 1.596 98.614 5.285 1.00 18.50 C ATOM 2054 NE ARG I 53 1.407 97.319 5.961 1.00 18.50 N ATOM 2055 CZ ARG I 53 1.203 96.070 5.554 1.00 18.50 C ATOM 2056 NH1 ARG I 53 0.961 95.683 4.313 1.00 18.50 N ATOM 2057 NH2 ARG I 53 1.090 95.181 6.495 1.00 18.50 N ATOM 2058 N THR I 54 6.952 98.140 6.552 1.00 15.59 N ATOM 2059 CA THR I 54 7.696 98.579 7.751 1.00 15.59 C ATOM 2060 C THR I 54 9.086 99.102 7.505 1.00 15.59 C ATOM 2061 O THR I 54 9.398 100.218 8.022 1.00 15.59 O ATOM 2062 CB THR I 54 7.865 97.498 8.807 1.00 15.59 C ATOM 2063 OG1 THR I 54 6.559 97.048 9.127 1.00 10.61 O ATOM 2064 CG2 THR I 54 8.568 98.035 10.112 1.00 10.61 C ATOM 2065 N CYS I 55 9.776 98.344 6.645 1.00 12.12 N ATOM 2066 CA CYS I 55 11.170 98.674 6.341 1.00 12.12 C ATOM 2067 C CYS I 55 11.526 99.314 5.030 1.00 12.12 C ATOM 2068 O CYS I 55 12.729 99.577 4.854 1.00 12.12 O ATOM 2069 CB CYS I 55 12.038 97.451 6.636 1.00 12.12 C ATOM 2070 SG CYS I 55 12.152 97.095 8.404 1.00 13.14 S ATOM 2071 N GLY I 56 10.699 99.236 4.031 1.00 30.80 N ATOM 2072 CA GLY I 56 11.249 99.438 2.682 1.00 30.80 C ATOM 2073 C GLY I 56 11.561 100.900 2.389 1.00 30.80 C ATOM 2074 O GLY I 56 10.722 101.760 2.713 1.00 30.80 O ATOM 2075 N GLY I 57 12.800 101.238 2.149 1.00 28.02 N ATOM 2076 CA GLY I 57 13.155 102.665 2.282 1.00 28.02 C ATOM 2077 C GLY I 57 14.295 102.895 3.268 1.00 28.02 C ATOM 2078 O GLY I 57 14.534 104.020 3.766 0.00 0.00 O ATOM 2079 N ALA I 58 14.920 101.822 3.690 1.00 37.92 N ATOM 2080 CA ALA I 58 16.008 101.922 4.668 1.00 37.92 C ATOM 2081 C ALA I 58 17.324 101.513 4.005 1.00 37.92 C ATOM 2082 O ALA I 58 18.414 101.799 4.560 0.00 0.00 O ATOM 2083 CB ALA I 58 15.681 101.112 5.968 1.00 37.92 C ATOM 2084 OXT ALA I 58 17.330 101.158 2.798 0.00 0.00 O TER 2085 ALA I 58 HETATM 2086 CA CA Z 462 6.084 60.902 2.553 1.00 37.27 CA HETATM 2087 S SO4 I 59 15.920 94.781 17.933 1.00 39.12 S HETATM 2088 O1 SO4 I 59 17.131 94.154 18.582 1.00 39.12 O HETATM 2089 O2 SO4 I 59 15.834 96.247 18.216 1.00 39.12 O HETATM 2090 O3 SO4 I 59 16.075 94.589 16.453 1.00 39.12 O HETATM 2091 O4 SO4 I 59 14.722 94.089 18.530 1.00 39.12 O HETATM 2092 S SO4 I 60 13.479 102.409 18.643 1.00 39.32 S HETATM 2093 O1 SO4 I 60 12.704 102.329 19.913 1.00 39.32 O HETATM 2094 O2 SO4 I 60 14.890 101.978 19.014 1.00 39.32 O HETATM 2095 O3 SO4 I 60 12.877 101.485 17.620 1.00 39.32 O HETATM 2096 O4 SO4 I 60 13.379 103.796 18.094 1.00 39.32 O HETATM 2097 O HOH Z 401 11.685 66.067 15.537 1.00 8.84 O HETATM 2098 O HOH Z 402 21.383 66.778 21.760 1.00 13.01 O HETATM 2099 O HOH Z 403 19.549 76.332 17.934 1.00 10.56 O HETATM 2100 O HOH Z 405 12.865 58.856 18.717 1.00 13.26 O HETATM 2101 O HOH Z 406 7.754 64.924 21.360 1.00 10.36 O HETATM 2102 O HOH Z 407 10.472 73.655 29.575 1.00 14.29 O HETATM 2103 O HOH Z 408 12.061 73.990 27.520 1.00 19.90 O HETATM 2104 O HOH Z 409 4.148 58.462 12.254 1.00 19.38 O HETATM 2105 O HOH Z 410 11.335 66.901 12.943 1.00 9.70 O HETATM 2106 O HOH Z 412 14.994 57.207 7.415 1.00 15.92 O HETATM 2107 O HOH Z 414 21.986 72.556 20.723 1.00 9.75 O HETATM 2108 O HOH Z 415 25.108 73.658 20.122 1.00 18.32 O HETATM 2109 O HOH Z 416 17.513 70.714 21.823 1.00 8.00 O HETATM 2110 O HOH Z 430 18.681 66.045 13.050 1.00 31.64 O HETATM 2111 O HOH Z 431 10.429 56.834 8.826 1.00 21.84 O HETATM 2112 O HOH Z 434 5.373 60.934 10.176 1.00 15.88 O HETATM 2113 O HOH Z 435 7.227 57.979 10.853 1.00 25.47 O HETATM 2114 O HOH Z 436 -4.239 54.419 6.483 1.00 41.37 O HETATM 2115 O HOH Z 437 -4.840 61.198 4.914 1.00 28.07 O HETATM 2116 O HOH Z 438 -14.465 74.595 21.431 1.00 49.80 O HETATM 2117 O HOH Z 439 3.401 79.651 21.562 1.00 32.05 O HETATM 2118 O HOH Z 445 25.088 67.353 21.686 1.00 10.70 O HETATM 2119 O HOH Z 447 -5.713 60.446 29.390 1.00 38.96 O HETATM 2120 O HOH Z 448 -8.249 66.430 8.484 1.00 26.74 O HETATM 2121 O HOH Z 457 5.673 68.041 6.089 1.00 16.42 O HETATM 2122 O HOH Z 463 -5.653 75.296 12.601 1.00 43.90 O HETATM 2123 O HOH Z 465 0.729 56.289 27.585 1.00 39.11 O HETATM 2124 O HOH Z 466 9.252 55.727 33.173 1.00 32.96 O HETATM 2125 O HOH Z 473 20.200 67.941 32.447 1.00 19.32 O HETATM 2126 O HOH Z 475 10.302 76.408 37.282 1.00 31.25 O HETATM 2127 O HOH Z 476 31.839 64.530 24.399 1.00 24.40 O HETATM 2128 O HOH Z 479 -4.668 73.249 31.085 1.00 35.49 O HETATM 2129 O HOH Z 483 10.861 50.179 15.621 1.00 27.37 O HETATM 2130 O HOH Z 489 7.378 51.790 35.084 1.00 42.01 O HETATM 2131 O HOH Z 491 32.428 72.720 18.262 1.00 36.23 O HETATM 2132 O HOH Z 495 14.144 68.547 5.374 1.00 25.74 O HETATM 2133 O HOH Z 498 20.369 75.482 11.396 1.00 36.17 O HETATM 2134 O HOH Z 499 11.141 87.133 23.919 1.00 34.52 O HETATM 2135 O HOH Z 514 13.698 62.546 32.533 1.00 34.40 O HETATM 2136 O HOH Z 515 18.408 77.711 6.170 1.00 35.63 O HETATM 2137 O HOH Z 516 6.312 55.750 10.155 1.00 19.10 O HETATM 2138 O HOH Z 519 1.698 67.315 35.624 1.00 31.48 O HETATM 2139 O HOH Z 520 -4.021 62.946 35.403 1.00 25.82 O HETATM 2140 O HOH Z 521 -9.227 73.619 25.759 1.00 33.33 O HETATM 2141 O HOH Z 522 9.096 70.584 3.504 1.00 20.69 O HETATM 2142 O HOH Z 524 -2.700 55.452 24.159 1.00 37.92 O HETATM 2143 O HOH Z 526 5.166 82.125 33.478 1.00 43.02 O HETATM 2144 O HOH Z 527 2.058 56.822 32.497 1.00 42.55 O HETATM 2145 O HOH Z 528 20.417 54.875 36.262 1.00 44.83 O HETATM 2146 O HOH Z 529 15.301 56.181 4.599 1.00 30.53 O HETATM 2147 O HOH Z 530 29.009 71.244 31.038 1.00 30.45 O HETATM 2148 O HOH Z 531 13.442 76.453 38.655 1.00 40.57 O HETATM 2149 O HOH Z 534 9.836 84.151 22.207 1.00 36.18 O HETATM 2150 O HOH Z 540 20.823 53.101 28.560 1.00 38.69 O HETATM 2151 O HOH Z 541 25.876 69.835 21.038 1.00 24.20 O HETATM 2152 O HOH Z 542 -6.694 70.623 32.478 1.00 42.77 O HETATM 2153 O HOH Z 543 12.204 55.971 30.346 1.00 36.50 O HETATM 2154 O HOH Z 547 13.949 53.070 16.025 1.00 39.60 O HETATM 2155 O HOH Z 549 5.361 66.072 4.245 1.00 23.51 O HETATM 2156 O HOH Z 550 -2.948 74.923 14.717 1.00 30.76 O HETATM 2157 O HOH Z 552 -5.768 64.719 4.466 1.00 43.75 O HETATM 2158 O HOH Z 554 1.967 71.332 34.338 1.00 27.14 O HETATM 2159 O HOH Z 555 1.517 81.724 27.775 1.00 47.11 O HETATM 2160 O HOH Z 556 -9.794 69.119 34.051 1.00 29.30 O HETATM 2161 O HOH Z 559 5.370 62.991 1.896 1.00 13.89 O HETATM 2162 O HOH Z 560 4.014 66.733 -0.643 1.00 40.97 O HETATM 2163 O HOH Z 561 6.861 54.832 3.970 1.00 32.11 O HETATM 2164 O HOH Z 563 2.907 78.864 6.485 1.00 42.47 O HETATM 2165 O HOH Z 566 24.777 76.375 14.734 1.00 43.95 O HETATM 2166 O HOH Z 571 -6.052 58.395 8.463 1.00 33.93 O HETATM 2167 O HOH Z 574 -5.051 77.776 20.449 1.00 40.91 O HETATM 2168 O HOH Z 575 20.667 66.297 4.837 1.00 37.03 O HETATM 2169 O HOH Z 576 30.191 73.806 29.666 1.00 41.19 O HETATM 2170 O HOH Z 577 22.355 78.730 37.049 1.00 31.50 O HETATM 2171 O HOH Z 582 16.886 71.476 36.500 1.00 31.75 O HETATM 2172 O HOH Z 585 12.678 53.918 19.672 1.00 35.23 O HETATM 2173 O HOH Z 587 -12.419 60.283 15.265 1.00 38.59 O HETATM 2174 O HOH Z 592 21.724 80.462 18.842 1.00 26.33 O HETATM 2175 O HOH Z 593 20.059 62.896 3.781 1.00 37.53 O HETATM 2176 O HOH Z 595 13.693 53.519 2.073 1.00 41.43 O HETATM 2177 O HOH Z 597 31.418 76.430 22.040 1.00 35.80 O HETATM 2178 O HOH Z 598 9.414 51.330 17.825 1.00 36.97 O HETATM 2179 O HOH Z 600 5.291 79.360 15.553 1.00 37.05 O HETATM 2180 O HOH Z 603 -0.066 79.974 10.222 1.00 40.41 O HETATM 2181 O HOH Z 702 0.039 71.915 3.279 1.00 37.19 O HETATM 2182 O HOH Z 703 22.687 56.444 7.714 1.00 35.91 O HETATM 2183 O HOH Z 705 11.255 53.492 17.525 1.00 38.81 O HETATM 2184 O HOH Z 706 0.600 79.413 27.328 1.00 35.66 O HETATM 2185 O HOH Z 707 -7.772 72.469 28.982 1.00 37.11 O HETATM 2186 O HOH Z 708 11.215 63.172 31.256 1.00 32.17 O HETATM 2187 O HOH Z 709 5.816 85.124 33.713 1.00 38.41 O HETATM 2188 O HOH Z 803 -4.609 54.675 21.147 1.00 36.34 O HETATM 2189 O HOH Z 805 -10.188 62.932 24.524 1.00 28.23 O HETATM 2190 O HOH Z 807 17.950 64.171 14.755 1.00 19.38 O HETATM 2191 O HOH Z 809 20.641 63.631 14.367 1.00 37.41 O HETATM 2192 O HOH Z 811 21.275 66.228 12.657 1.00 32.75 O HETATM 2193 O HOH Z 814 16.112 80.182 29.006 1.00 39.17 O HETATM 2194 O HOH Z 816 -0.145 52.148 18.705 1.00 26.62 O HETATM 2195 O HOH Z 818 23.297 69.894 13.408 1.00 24.08 O HETATM 2196 O HOH Z 819 24.428 67.385 13.480 1.00 31.31 O HETATM 2197 O HOH Z 820 7.702 50.370 12.531 1.00 33.97 O HETATM 2198 O HOH Z 822 -0.458 54.269 7.501 1.00 28.57 O HETATM 2199 O HOH Z 823 4.364 70.498 2.424 1.00 38.80 O HETATM 2200 O HOH Z 825 7.041 59.101 2.786 1.00 22.34 O HETATM 2201 O HOH I 400 14.433 80.862 18.013 1.00 14.23 O HETATM 2202 O HOH I 404 14.466 87.237 14.515 1.00 12.17 O HETATM 2203 O HOH I 417 15.721 88.969 12.951 1.00 12.28 O HETATM 2204 O HOH I 419 15.502 100.919 16.024 1.00 33.23 O HETATM 2205 O HOH I 421 4.774 87.084 1.292 1.00 32.39 O HETATM 2206 O HOH I 422 6.789 81.233 17.181 1.00 32.70 O HETATM 2207 O HOH I 423 18.780 84.090 4.381 1.00 29.46 O HETATM 2208 O HOH I 425 7.097 81.609 20.620 1.00 34.94 O HETATM 2209 O HOH I 426 9.374 86.477 20.142 1.00 32.71 O HETATM 2210 O HOH I 455 8.468 96.943 15.526 1.00 32.53 O HETATM 2211 O HOH I 501 4.744 90.552 10.181 1.00 26.38 O HETATM 2212 O HOH I 503 20.456 78.650 16.514 1.00 35.82 O HETATM 2213 O HOH I 505 20.227 92.811 7.113 1.00 44.90 O HETATM 2214 O HOH I 507 20.782 89.935 14.817 1.00 25.95 O HETATM 2215 O HOH I 508 19.116 84.459 23.447 1.00 35.51 O HETATM 2216 O HOH I 511 4.755 81.531 13.262 1.00 30.27 O HETATM 2217 O HOH I 512 9.476 89.862 15.253 1.00 34.80 O HETATM 2218 O HOH I 532 20.780 83.862 13.182 1.00 37.86 O HETATM 2219 O HOH I 533 23.035 83.735 17.404 1.00 39.68 O HETATM 2220 O HOH I 536 7.178 85.734 16.420 1.00 23.78 O HETATM 2221 O HOH I 537 5.748 82.419 9.643 1.00 26.72 O HETATM 2222 O HOH I 538 18.374 80.925 7.120 1.00 28.59 O HETATM 2223 O HOH I 564 12.960 99.786 -1.318 1.00 32.97 O HETATM 2224 O HOH I 568 16.385 88.491 20.827 1.00 26.44 O HETATM 2225 O HOH I 569 10.334 91.183 -1.261 1.00 36.04 O HETATM 2226 O HOH I 570 5.611 81.597 6.662 1.00 37.97 O HETATM 2227 O HOH I 589 19.760 83.499 8.558 1.00 29.22 O HETATM 2228 O HOH I 590 17.234 91.205 13.320 1.00 24.61 O HETATM 2229 O HOH I 602 22.015 96.704 6.457 1.00 44.03 O HETATM 2230 O HOH I 700 15.628 85.552 -0.008 0.50 7.71 O HETATM 2231 O HOH I 701 13.219 106.027 2.789 1.00 37.83 O HETATM 2232 O HOH I 704 7.833 83.887 17.995 1.00 37.13 O HETATM 2233 O HOH I 801 0.599 82.461 12.775 1.00 9.71 O HETATM 2234 O HOH I 813 12.555 70.482 5.159 1.00 38.03 O CONECT 48 1007 CONECT 185 298 CONECT 298 185 CONECT 385 2086 CONECT 397 2086 CONECT 421 2086 CONECT 461 2086 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 1673 2070 CONECT 1740 1932 CONECT 1872 2038 CONECT 1932 1740 CONECT 2038 1872 CONECT 2070 1673 CONECT 2086 385 397 421 461 CONECT 2086 2161 2200 CONECT 2087 2088 2089 2090 2091 CONECT 2088 2087 CONECT 2089 2087 CONECT 2090 2087 CONECT 2091 2087 CONECT 2092 2093 2094 2095 2096 CONECT 2093 2092 CONECT 2094 2092 CONECT 2095 2092 CONECT 2096 2092 CONECT 2161 2086 CONECT 2200 2086 MASTER 620 1 3 4 2 0 4 6 2232 2 36 23 END
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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
2tgp
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
TRYPSINOGEN
Ligand Name
TRYPSIN INHIBITOR
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=2.4uM
Release Year
1983
Protein/NA Sequence
Check fasta file
Primary Reference
J Mol Biol. 1979 Feb 5; 127(4):357-74
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):
P00974
P00760
Entrez Gene ID
NCBI Entrez Gene ID:
615026
780933
ASD
Information of known allosteric effects of PDB entries
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