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*** 1hhp ***elNémo ID: 2402090927522044220Job options:ID = 2402090927522044220 JOBID = 1hhp USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER 1hhp HEADER HYDROLASE(ACID PROTEINASE) 27-MAY-92 1HHP TITLE THE THREE-DIMENSIONAL STRUCTURE OF THE ASPARTYL PROTEASE FROM THE HIV- TITLE 2 1 ISOLATE BRU COMPND MOL_ID: 1; COMPND 2 MOLECULE: UNLIGANDED HIV-1 PROTEASE; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (BRU SOURCE 3 ISOLATE); SOURCE 4 ORGANISM_TAXID: 11686; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS HYDROLASE(ACID PROTEINASE) EXPDTA X-RAY DIFFRACTION AUTHOR S.SPINELLI,P.M.ALZARI REVDAT 4 07-FEB-24 1HHP 1 REMARK REVDAT 3 13-JUL-11 1HHP 1 VERSN REVDAT 2 24-FEB-09 1HHP 1 VERSN REVDAT 1 15-OCT-92 1HHP 0 JRNL AUTH S.SPINELLI,Q.Z.LIU,P.M.ALZARI,P.H.HIREL,R.J.POLJAK JRNL TITL THE THREE-DIMENSIONAL STRUCTURE OF THE ASPARTYL PROTEASE JRNL TITL 2 FROM THE HIV-1 ISOLATE BRU. JRNL REF BIOCHIMIE V. 73 1391 1991 JRNL REFN ISSN 0300-9084 JRNL PMID 1799632 JRNL DOI 10.1016/0300-9084(91)90169-2 REMARK 2 REMARK 2 RESOLUTION. 2.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL 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) : 0.190 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 : 758 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 0 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) : 0.018 REMARK 3 BOND ANGLES (DEGREES) : 3.800 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: NULL REMARK 4 REMARK 4 1HHP COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 100 THE DEPOSITION ID IS D_1000173858. 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 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 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 60.48 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.11 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+1/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+3/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+1/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+3/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 53.40000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 25.10000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 25.10000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 26.70000 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 25.10000 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 25.10000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 80.10000 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 25.10000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 25.10000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 26.70000 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 25.10000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 25.10000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 80.10000 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 53.40000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA,PQS REMARK 350 TOTAL BURIED SURFACE AREA: 3190 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 9860 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -16.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 0.00000 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 TRP A 6 CD1 - CG - CD2 ANGL. DEV. = 6.4 DEGREES REMARK 500 TRP A 6 CE2 - CD2 - CG ANGL. DEV. = -5.8 DEGREES REMARK 500 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 5.3 DEGREES REMARK 500 ASP A 29 CB - CG - OD1 ANGL. DEV. = 7.9 DEGREES REMARK 500 SER A 37 CA - C - N ANGL. DEV. = -14.5 DEGREES REMARK 500 LYS A 43 CA - CB - CG ANGL. DEV. = 14.8 DEGREES REMARK 500 CYS A 67 CA - CB - SG ANGL. DEV. = -12.8 DEGREES REMARK 500 CYS A 67 CA - C - N ANGL. DEV. = -12.9 DEGREES REMARK 500 THR A 91 N - CA - CB ANGL. DEV. = -12.3 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 GLN A 61 18.24 52.45 REMARK 500 CYS A 67 58.90 29.41 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 TYR A 59 0.10 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1HHP A 1 99 UNP P03367 POL_HV1BR 69 167 SEQRES 1 A 99 PRO GLN ILE THR LEU TRP GLN ARG PRO LEU VAL THR ILE SEQRES 2 A 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 A 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET SER LEU PRO SEQRES 4 A 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 A 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU SEQRES 6 A 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 A 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 A 99 GLN ILE GLY CYS THR LEU ASN PHE HELIX 1 1 GLY A 86 GLY A 94 1 9 SHEET 1 A 8 LYS A 43 GLY A 49 0 SHEET 2 A 8 GLY A 52 ILE A 66 -1 O VAL A 56 N LYS A 45 SHEET 3 A 8 HIS A 69 GLY A 78 -1 O GLY A 73 N ILE A 62 SHEET 4 A 8 VAL A 32 GLU A 34 1 N LEU A 33 O LEU A 76 SHEET 5 A 8 ILE A 84 ILE A 85 -1 O ILE A 84 N VAL A 32 SHEET 6 A 8 LEU A 19 LEU A 24 1 N LEU A 23 O ILE A 85 SHEET 7 A 8 LEU A 10 LYS A 14 -1 N ILE A 13 O LYS A 20 SHEET 8 A 8 GLY A 52 ILE A 66 -1 O GLU A 65 N LYS A 14 CRYST1 50.200 50.200 106.800 90.00 90.00 90.00 P 41 21 2 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.019920 0.000000 0.000000 0.00000 SCALE2 0.000000 0.019920 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009363 0.00000 ATOM 1 N PRO A 1 52.574 58.851 -7.646 1.00 34.60 N ATOM 2 CA PRO A 1 51.842 59.784 -6.815 1.00 34.88 C ATOM 3 C PRO A 1 52.146 59.438 -5.356 1.00 36.01 C ATOM 4 O PRO A 1 53.031 58.612 -5.150 1.00 35.05 O ATOM 5 CB PRO A 1 50.391 59.581 -7.189 1.00 34.07 C ATOM 6 CG PRO A 1 50.353 58.166 -7.724 1.00 32.00 C ATOM 7 CD PRO A 1 51.621 58.242 -8.540 1.00 31.72 C ATOM 8 N GLN A 2 51.488 60.047 -4.359 1.00 35.47 N ATOM 9 CA GLN A 2 51.577 59.564 -2.997 1.00 35.15 C ATOM 10 C GLN A 2 50.109 59.273 -2.694 1.00 33.50 C ATOM 11 O GLN A 2 49.368 60.231 -2.829 1.00 37.45 O ATOM 12 CB GLN A 2 52.076 60.630 -2.075 1.00 37.17 C ATOM 13 CG GLN A 2 52.024 59.911 -0.749 1.00 42.02 C ATOM 14 CD GLN A 2 52.639 60.592 0.439 1.00 43.50 C ATOM 15 OE1 GLN A 2 53.841 60.484 0.675 1.00 44.41 O ATOM 16 NE2 GLN A 2 51.824 61.272 1.246 1.00 43.72 N ATOM 17 N ILE A 3 49.555 58.119 -2.306 1.00 30.33 N ATOM 18 CA ILE A 3 48.107 57.932 -2.171 1.00 27.03 C ATOM 19 C ILE A 3 47.924 57.639 -0.692 1.00 26.95 C ATOM 20 O ILE A 3 48.736 56.921 -0.102 1.00 25.73 O ATOM 21 CB ILE A 3 47.623 56.740 -3.053 1.00 24.36 C ATOM 22 CG1 ILE A 3 47.870 57.072 -4.513 1.00 24.07 C ATOM 23 CG2 ILE A 3 46.116 56.491 -2.898 1.00 22.78 C ATOM 24 CD1 ILE A 3 47.651 55.899 -5.455 1.00 21.74 C ATOM 25 N THR A 4 46.933 58.239 -0.055 1.00 24.74 N ATOM 26 CA THR A 4 46.701 58.033 1.344 1.00 25.63 C ATOM 27 C THR A 4 45.538 57.047 1.421 1.00 27.68 C ATOM 28 O THR A 4 44.798 56.901 0.423 1.00 29.86 O ATOM 29 CB THR A 4 46.378 59.394 1.948 1.00 25.77 C ATOM 30 OG1 THR A 4 45.232 59.946 1.314 1.00 26.30 O ATOM 31 CG2 THR A 4 47.496 60.335 1.728 1.00 25.63 C ATOM 32 N LEU A 5 45.285 56.360 2.548 1.00 26.30 N ATOM 33 CA LEU A 5 44.183 55.442 2.514 1.00 22.06 C ATOM 34 C LEU A 5 42.972 55.921 3.284 1.00 21.26 C ATOM 35 O LEU A 5 42.160 55.105 3.738 1.00 23.56 O ATOM 36 CB LEU A 5 44.665 54.100 3.017 1.00 22.16 C ATOM 37 CG LEU A 5 45.655 53.176 2.295 1.00 21.13 C ATOM 38 CD1 LEU A 5 45.713 53.492 0.837 1.00 20.48 C ATOM 39 CD2 LEU A 5 47.049 53.394 2.824 1.00 20.76 C ATOM 40 N TRP A 6 42.728 57.237 3.380 1.00 18.14 N ATOM 41 CA TRP A 6 41.544 57.701 4.088 1.00 18.46 C ATOM 42 C TRP A 6 40.358 57.249 3.247 1.00 23.40 C ATOM 43 O TRP A 6 39.283 57.041 3.786 1.00 27.99 O ATOM 44 CB TRP A 6 41.488 59.204 4.211 1.00 16.88 C ATOM 45 CG TRP A 6 42.486 59.783 5.184 1.00 18.72 C ATOM 46 CD1 TRP A 6 43.649 60.379 4.759 1.00 19.20 C ATOM 47 CD2 TRP A 6 42.387 59.729 6.551 1.00 22.30 C ATOM 48 NE1 TRP A 6 44.299 60.686 5.852 1.00 19.21 N ATOM 49 CE2 TRP A 6 43.588 60.320 6.940 1.00 22.30 C ATOM 50 CE3 TRP A 6 41.482 59.284 7.505 1.00 22.76 C ATOM 51 CZ2 TRP A 6 43.873 60.464 8.287 1.00 22.88 C ATOM 52 CZ3 TRP A 6 41.777 59.438 8.840 1.00 24.11 C ATOM 53 CH2 TRP A 6 42.969 60.024 9.234 1.00 23.19 C ATOM 54 N GLN A 7 40.451 57.050 1.936 1.00 25.39 N ATOM 55 CA GLN A 7 39.388 56.510 1.115 1.00 27.79 C ATOM 56 C GLN A 7 39.991 55.345 0.336 1.00 27.15 C ATOM 57 O GLN A 7 41.185 55.385 0.038 1.00 32.71 O ATOM 58 CB GLN A 7 38.924 57.475 0.099 1.00 33.04 C ATOM 59 CG GLN A 7 38.022 58.599 0.521 1.00 42.60 C ATOM 60 CD GLN A 7 37.782 59.430 -0.741 1.00 47.86 C ATOM 61 OE1 GLN A 7 38.623 60.248 -1.142 1.00 49.89 O ATOM 62 NE2 GLN A 7 36.657 59.248 -1.443 1.00 50.16 N ATOM 63 N ARG A 8 39.229 54.333 -0.081 1.00 23.61 N ATOM 64 CA ARG A 8 39.662 53.213 -0.904 1.00 20.69 C ATOM 65 C ARG A 8 40.583 53.656 -2.009 1.00 19.98 C ATOM 66 O ARG A 8 40.173 54.523 -2.764 1.00 22.02 O ATOM 67 CB ARG A 8 38.468 52.553 -1.552 1.00 20.30 C ATOM 68 CG ARG A 8 37.584 51.732 -0.660 1.00 23.11 C ATOM 69 CD ARG A 8 36.449 51.269 -1.532 1.00 27.73 C ATOM 70 NE ARG A 8 35.723 50.113 -1.025 1.00 31.19 N ATOM 71 CZ ARG A 8 34.915 50.120 0.047 1.00 33.17 C ATOM 72 NH1 ARG A 8 34.765 51.137 0.903 1.00 35.98 N ATOM 73 NH2 ARG A 8 34.235 49.016 0.305 1.00 37.95 N ATOM 74 N PRO A 9 41.771 53.155 -2.212 1.00 18.20 N ATOM 75 CA PRO A 9 42.708 53.768 -3.078 1.00 18.91 C ATOM 76 C PRO A 9 42.319 53.444 -4.519 1.00 22.17 C ATOM 77 O PRO A 9 43.052 52.666 -5.134 1.00 25.25 O ATOM 78 CB PRO A 9 43.995 53.178 -2.540 1.00 17.87 C ATOM 79 CG PRO A 9 43.628 51.745 -2.295 1.00 15.62 C ATOM 80 CD PRO A 9 42.298 51.932 -1.638 1.00 18.00 C ATOM 81 N LEU A 10 41.190 53.900 -5.120 1.00 25.29 N ATOM 82 CA LEU A 10 40.903 53.618 -6.532 1.00 25.36 C ATOM 83 C LEU A 10 41.712 54.463 -7.473 1.00 25.20 C ATOM 84 O LEU A 10 41.975 55.624 -7.171 1.00 25.19 O ATOM 85 CB LEU A 10 39.476 53.859 -6.923 1.00 23.47 C ATOM 86 CG LEU A 10 38.466 52.905 -6.369 1.00 25.83 C ATOM 87 CD1 LEU A 10 38.991 51.469 -6.293 1.00 23.08 C ATOM 88 CD2 LEU A 10 38.179 53.328 -4.970 1.00 27.63 C ATOM 89 N VAL A 11 42.090 53.891 -8.611 1.00 26.67 N ATOM 90 CA VAL A 11 42.884 54.589 -9.625 1.00 28.60 C ATOM 91 C VAL A 11 42.363 54.247 -11.013 1.00 30.66 C ATOM 92 O VAL A 11 41.669 53.233 -11.136 1.00 32.14 O ATOM 93 CB VAL A 11 44.400 54.206 -9.591 1.00 25.39 C ATOM 94 CG1 VAL A 11 45.091 54.803 -8.376 1.00 24.64 C ATOM 95 CG2 VAL A 11 44.519 52.709 -9.607 1.00 23.29 C ATOM 96 N THR A 12 42.614 55.067 -12.049 1.00 32.99 N ATOM 97 CA THR A 12 42.251 54.709 -13.425 1.00 36.63 C ATOM 98 C THR A 12 43.387 54.002 -14.159 1.00 34.17 C ATOM 99 O THR A 12 44.577 54.320 -14.090 1.00 35.08 O ATOM 100 CB THR A 12 41.771 56.020 -14.117 1.00 40.88 C ATOM 101 OG1 THR A 12 40.353 55.833 -14.062 1.00 43.82 O ATOM 102 CG2 THR A 12 42.174 56.307 -15.546 1.00 41.85 C ATOM 103 N ILE A 13 42.961 52.927 -14.765 1.00 33.38 N ATOM 104 CA ILE A 13 43.809 51.981 -15.445 1.00 34.39 C ATOM 105 C ILE A 13 43.345 52.063 -16.884 1.00 36.99 C ATOM 106 O ILE A 13 42.154 52.278 -17.173 1.00 37.99 O ATOM 107 CB ILE A 13 43.607 50.505 -14.962 1.00 33.54 C ATOM 108 CG1 ILE A 13 42.216 49.996 -15.324 1.00 34.48 C ATOM 109 CG2 ILE A 13 43.731 50.444 -13.442 1.00 32.74 C ATOM 110 CD1 ILE A 13 41.973 48.495 -15.188 1.00 36.51 C ATOM 111 N LYS A 14 44.285 51.866 -17.787 1.00 40.82 N ATOM 112 CA LYS A 14 43.975 51.774 -19.198 1.00 42.45 C ATOM 113 C LYS A 14 44.475 50.390 -19.569 1.00 43.63 C ATOM 114 O LYS A 14 45.621 50.033 -19.234 1.00 42.86 O ATOM 115 CB LYS A 14 44.725 52.810 -19.949 1.00 44.04 C ATOM 116 CG LYS A 14 44.209 52.898 -21.346 1.00 47.75 C ATOM 117 CD LYS A 14 45.202 53.811 -22.020 1.00 52.01 C ATOM 118 CE LYS A 14 45.042 53.776 -23.533 1.00 53.80 C ATOM 119 NZ LYS A 14 46.207 54.435 -24.110 1.00 56.01 N ATOM 120 N ILE A 15 43.557 49.599 -20.148 1.00 44.56 N ATOM 121 CA ILE A 15 43.797 48.245 -20.632 1.00 43.02 C ATOM 122 C ILE A 15 42.830 48.038 -21.762 1.00 42.94 C ATOM 123 O ILE A 15 41.638 48.296 -21.627 1.00 43.83 O ATOM 124 CB ILE A 15 43.544 47.158 -19.537 1.00 41.58 C ATOM 125 CG1 ILE A 15 43.742 45.759 -20.140 1.00 40.77 C ATOM 126 CG2 ILE A 15 42.154 47.291 -18.945 1.00 41.54 C ATOM 127 CD1 ILE A 15 43.881 44.661 -19.056 1.00 40.62 C ATOM 128 N GLY A 16 43.345 47.581 -22.893 1.00 43.78 N ATOM 129 CA GLY A 16 42.521 47.316 -24.076 1.00 45.75 C ATOM 130 C GLY A 16 41.964 48.592 -24.726 1.00 48.11 C ATOM 131 O GLY A 16 40.960 48.556 -25.456 1.00 48.82 O ATOM 132 N GLY A 17 42.516 49.791 -24.520 1.00 48.06 N ATOM 133 CA GLY A 17 41.869 50.971 -25.072 1.00 48.69 C ATOM 134 C GLY A 17 40.802 51.384 -24.071 1.00 49.54 C ATOM 135 O GLY A 17 40.610 52.568 -23.776 1.00 52.37 O ATOM 136 N GLN A 18 40.078 50.370 -23.590 1.00 47.98 N ATOM 137 CA GLN A 18 39.188 50.443 -22.473 1.00 47.74 C ATOM 138 C GLN A 18 39.935 51.087 -21.300 1.00 46.35 C ATOM 139 O GLN A 18 41.121 50.878 -21.016 1.00 44.67 O ATOM 140 CB GLN A 18 38.736 49.014 -22.151 1.00 51.26 C ATOM 141 CG GLN A 18 37.895 48.309 -23.231 1.00 54.89 C ATOM 142 CD GLN A 18 38.326 46.866 -23.599 1.00 58.22 C ATOM 143 OE1 GLN A 18 37.897 45.852 -23.013 1.00 59.98 O ATOM 144 NE2 GLN A 18 39.131 46.666 -24.645 1.00 59.85 N ATOM 145 N LEU A 19 39.190 51.968 -20.656 1.00 45.69 N ATOM 146 CA LEU A 19 39.687 52.728 -19.521 1.00 43.44 C ATOM 147 C LEU A 19 38.776 52.323 -18.356 1.00 43.70 C ATOM 148 O LEU A 19 37.554 52.526 -18.469 1.00 42.20 O ATOM 149 CB LEU A 19 39.525 54.179 -19.841 1.00 39.24 C ATOM 150 CG LEU A 19 40.189 55.184 -19.010 1.00 36.66 C ATOM 151 CD1 LEU A 19 41.564 55.427 -19.597 1.00 35.32 C ATOM 152 CD2 LEU A 19 39.347 56.462 -18.998 1.00 35.94 C ATOM 153 N LYS A 20 39.313 51.723 -17.272 1.00 43.35 N ATOM 154 CA LYS A 20 38.532 51.307 -16.096 1.00 40.02 C ATOM 155 C LYS A 20 39.110 51.912 -14.817 1.00 38.58 C ATOM 156 O LYS A 20 40.144 52.611 -14.889 1.00 38.28 O ATOM 157 CB LYS A 20 38.564 49.812 -15.983 1.00 38.80 C ATOM 158 CG LYS A 20 37.689 49.194 -17.011 1.00 38.09 C ATOM 159 CD LYS A 20 38.136 47.764 -17.037 1.00 41.78 C ATOM 160 CE LYS A 20 37.284 46.927 -17.991 1.00 44.93 C ATOM 161 NZ LYS A 20 36.923 47.650 -19.212 1.00 47.09 N ATOM 162 N GLU A 21 38.475 51.736 -13.639 1.00 35.79 N ATOM 163 CA GLU A 21 39.141 52.167 -12.417 1.00 33.74 C ATOM 164 C GLU A 21 39.287 50.951 -11.525 1.00 32.24 C ATOM 165 O GLU A 21 38.403 50.088 -11.544 1.00 31.91 O ATOM 166 CB GLU A 21 38.364 53.249 -11.698 1.00 36.60 C ATOM 167 CG GLU A 21 36.934 53.027 -11.238 1.00 40.38 C ATOM 168 CD GLU A 21 36.374 54.178 -10.387 1.00 44.46 C ATOM 169 OE1 GLU A 21 37.078 55.207 -10.248 1.00 45.39 O ATOM 170 OE2 GLU A 21 35.244 54.028 -9.863 1.00 41.59 O ATOM 171 N ALA A 22 40.390 50.790 -10.798 1.00 29.53 N ATOM 172 CA ALA A 22 40.640 49.603 -10.016 1.00 26.75 C ATOM 173 C ALA A 22 41.292 49.987 -8.702 1.00 27.55 C ATOM 174 O ALA A 22 41.781 51.112 -8.555 1.00 30.39 O ATOM 175 CB ALA A 22 41.547 48.715 -10.797 1.00 24.71 C ATOM 176 N LEU A 23 41.232 49.062 -7.747 1.00 24.36 N ATOM 177 CA LEU A 23 41.703 49.173 -6.386 1.00 20.24 C ATOM 178 C LEU A 23 43.162 48.797 -6.266 1.00 21.61 C ATOM 179 O LEU A 23 43.483 47.720 -6.761 1.00 22.66 O ATOM 180 CB LEU A 23 40.836 48.254 -5.598 1.00 18.64 C ATOM 181 CG LEU A 23 40.860 48.079 -4.108 1.00 16.10 C ATOM 182 CD1 LEU A 23 39.931 49.018 -3.485 1.00 12.80 C ATOM 183 CD2 LEU A 23 40.348 46.702 -3.765 1.00 17.40 C ATOM 184 N LEU A 24 44.101 49.551 -5.665 1.00 22.09 N ATOM 185 CA LEU A 24 45.477 49.089 -5.522 1.00 20.88 C ATOM 186 C LEU A 24 45.439 48.327 -4.190 1.00 21.60 C ATOM 187 O LEU A 24 45.270 48.859 -3.092 1.00 20.50 O ATOM 188 CB LEU A 24 46.384 50.288 -5.468 1.00 20.45 C ATOM 189 CG LEU A 24 46.373 51.311 -6.598 1.00 20.83 C ATOM 190 CD1 LEU A 24 46.950 52.604 -6.101 1.00 20.92 C ATOM 191 CD2 LEU A 24 47.241 50.873 -7.727 1.00 22.78 C ATOM 192 N ASP A 25 45.593 47.016 -4.252 1.00 22.55 N ATOM 193 CA ASP A 25 45.318 46.159 -3.128 1.00 21.20 C ATOM 194 C ASP A 25 46.571 45.427 -2.785 1.00 20.68 C ATOM 195 O ASP A 25 46.810 44.364 -3.340 1.00 22.04 O ATOM 196 CB ASP A 25 44.203 45.244 -3.593 1.00 21.47 C ATOM 197 CG ASP A 25 43.522 44.325 -2.619 1.00 23.91 C ATOM 198 OD1 ASP A 25 44.117 43.999 -1.608 1.00 25.64 O ATOM 199 OD2 ASP A 25 42.389 43.914 -2.880 1.00 28.45 O ATOM 200 N THR A 26 47.351 45.873 -1.794 1.00 18.85 N ATOM 201 CA THR A 26 48.582 45.179 -1.430 1.00 14.97 C ATOM 202 C THR A 26 48.281 43.832 -0.845 1.00 13.08 C ATOM 203 O THR A 26 49.198 43.056 -0.636 1.00 18.05 O ATOM 204 CB THR A 26 49.398 46.024 -0.434 1.00 15.32 C ATOM 205 OG1 THR A 26 48.515 46.467 0.579 1.00 18.31 O ATOM 206 CG2 THR A 26 50.024 47.256 -1.078 1.00 17.12 C ATOM 207 N GLY A 27 47.031 43.476 -0.632 1.00 8.72 N ATOM 208 CA GLY A 27 46.733 42.224 -0.031 1.00 8.76 C ATOM 209 C GLY A 27 46.284 41.272 -1.107 1.00 15.22 C ATOM 210 O GLY A 27 45.969 40.143 -0.744 1.00 18.84 O ATOM 211 N ALA A 28 46.191 41.660 -2.402 1.00 14.38 N ATOM 212 CA ALA A 28 45.775 40.761 -3.455 1.00 13.46 C ATOM 213 C ALA A 28 46.992 40.328 -4.192 1.00 15.85 C ATOM 214 O ALA A 28 47.657 41.170 -4.732 1.00 17.14 O ATOM 215 CB ALA A 28 44.920 41.400 -4.486 1.00 11.11 C ATOM 216 N ASP A 29 47.365 39.061 -4.241 1.00 20.55 N ATOM 217 CA ASP A 29 48.501 38.562 -4.998 1.00 22.54 C ATOM 218 C ASP A 29 48.366 38.692 -6.527 1.00 24.32 C ATOM 219 O ASP A 29 49.377 38.875 -7.225 1.00 25.48 O ATOM 220 CB ASP A 29 48.765 37.080 -4.699 1.00 22.96 C ATOM 221 CG ASP A 29 48.980 36.541 -3.266 1.00 27.40 C ATOM 222 OD1 ASP A 29 49.168 37.224 -2.245 1.00 28.66 O ATOM 223 OD2 ASP A 29 48.930 35.318 -3.167 1.00 32.34 O ATOM 224 N ASP A 30 47.111 38.674 -7.010 1.00 24.75 N ATOM 225 CA ASP A 30 46.716 38.676 -8.410 1.00 25.44 C ATOM 226 C ASP A 30 45.883 39.841 -8.837 1.00 21.75 C ATOM 227 O ASP A 30 45.210 40.354 -7.984 1.00 23.29 O ATOM 228 CB ASP A 30 45.867 37.514 -8.736 1.00 31.71 C ATOM 229 CG ASP A 30 46.512 36.193 -8.448 1.00 37.07 C ATOM 230 OD1 ASP A 30 47.689 36.062 -8.820 1.00 40.72 O ATOM 231 OD2 ASP A 30 45.831 35.325 -7.874 1.00 38.73 O ATOM 232 N THR A 31 45.760 40.150 -10.115 1.00 20.51 N ATOM 233 CA THR A 31 44.915 41.225 -10.624 1.00 19.78 C ATOM 234 C THR A 31 43.628 40.606 -11.151 1.00 18.27 C ATOM 235 O THR A 31 43.744 39.623 -11.876 1.00 20.07 O ATOM 236 CB THR A 31 45.634 41.936 -11.737 1.00 17.29 C ATOM 237 OG1 THR A 31 46.786 42.402 -11.090 1.00 18.22 O ATOM 238 CG2 THR A 31 44.908 43.097 -12.371 1.00 15.21 C ATOM 239 N VAL A 32 42.419 41.052 -10.845 1.00 14.85 N ATOM 240 CA VAL A 32 41.270 40.373 -11.334 1.00 15.10 C ATOM 241 C VAL A 32 40.503 41.537 -11.790 1.00 21.57 C ATOM 242 O VAL A 32 40.305 42.494 -11.064 1.00 25.14 O ATOM 243 CB VAL A 32 40.450 39.711 -10.314 1.00 14.02 C ATOM 244 CG1 VAL A 32 39.725 38.592 -11.011 1.00 17.01 C ATOM 245 CG2 VAL A 32 41.257 38.995 -9.311 1.00 16.42 C ATOM 246 N LEU A 33 40.167 41.505 -13.056 1.00 29.89 N ATOM 247 CA LEU A 33 39.440 42.554 -13.719 1.00 32.78 C ATOM 248 C LEU A 33 38.117 42.053 -14.279 1.00 33.29 C ATOM 249 O LEU A 33 37.872 40.886 -14.621 1.00 33.35 O ATOM 250 CB LEU A 33 40.326 43.106 -14.826 1.00 34.04 C ATOM 251 CG LEU A 33 41.512 44.014 -14.486 1.00 35.01 C ATOM 252 CD1 LEU A 33 42.346 44.295 -15.741 1.00 35.79 C ATOM 253 CD2 LEU A 33 40.995 45.313 -13.932 1.00 33.87 C ATOM 254 N GLU A 34 37.211 42.997 -14.303 1.00 35.65 N ATOM 255 CA GLU A 34 35.920 42.747 -14.872 1.00 36.50 C ATOM 256 C GLU A 34 36.000 42.399 -16.341 1.00 34.51 C ATOM 257 O GLU A 34 36.853 42.910 -17.071 1.00 36.88 O ATOM 258 CB GLU A 34 35.083 43.963 -14.680 1.00 38.75 C ATOM 259 CG GLU A 34 35.525 45.248 -15.364 1.00 41.17 C ATOM 260 CD GLU A 34 34.663 46.449 -14.937 1.00 45.91 C ATOM 261 OE1 GLU A 34 33.615 46.280 -14.255 1.00 45.55 O ATOM 262 OE2 GLU A 34 35.078 47.570 -15.282 1.00 45.32 O ATOM 263 N GLU A 35 35.096 41.502 -16.693 1.00 32.63 N ATOM 264 CA GLU A 35 34.897 40.976 -18.035 1.00 33.44 C ATOM 265 C GLU A 35 34.970 41.997 -19.147 1.00 35.90 C ATOM 266 O GLU A 35 34.209 42.965 -19.222 1.00 35.44 O ATOM 267 CB GLU A 35 33.540 40.271 -18.113 1.00 33.28 C ATOM 268 CG GLU A 35 33.205 39.618 -19.406 1.00 30.59 C ATOM 269 CD GLU A 35 34.226 38.547 -19.719 1.00 32.82 C ATOM 270 OE1 GLU A 35 34.091 37.444 -19.171 1.00 34.47 O ATOM 271 OE2 GLU A 35 35.143 38.827 -20.496 1.00 29.98 O ATOM 272 N MET A 36 35.902 41.698 -20.033 1.00 37.83 N ATOM 273 CA MET A 36 36.229 42.597 -21.125 1.00 41.13 C ATOM 274 C MET A 36 36.875 41.681 -22.131 1.00 43.84 C ATOM 275 O MET A 36 37.256 40.532 -21.816 1.00 43.65 O ATOM 276 CB MET A 36 37.229 43.697 -20.701 1.00 40.16 C ATOM 277 CG MET A 36 38.619 43.221 -20.254 1.00 41.27 C ATOM 278 SD MET A 36 39.758 44.478 -19.589 1.00 44.00 S ATOM 279 CE MET A 36 40.174 45.417 -21.042 1.00 39.20 C ATOM 280 N SER A 37 37.009 42.158 -23.360 1.00 47.33 N ATOM 281 CA SER A 37 37.638 41.297 -24.332 1.00 48.07 C ATOM 282 C SER A 37 38.995 41.851 -24.691 1.00 44.97 C ATOM 283 O SER A 37 39.271 42.990 -25.093 1.00 43.75 O ATOM 284 CB SER A 37 36.736 41.133 -25.583 1.00 51.51 C ATOM 285 OG SER A 37 35.558 40.360 -25.274 1.00 56.70 O ATOM 286 N LEU A 38 39.813 40.954 -24.194 1.00 43.27 N ATOM 287 CA LEU A 38 41.219 41.024 -24.431 1.00 43.41 C ATOM 288 C LEU A 38 41.486 40.025 -25.549 1.00 46.16 C ATOM 289 O LEU A 38 41.149 38.833 -25.435 1.00 46.92 O ATOM 290 CB LEU A 38 42.027 40.622 -23.198 1.00 39.11 C ATOM 291 CG LEU A 38 42.112 41.585 -22.073 1.00 32.69 C ATOM 292 CD1 LEU A 38 43.032 41.050 -20.991 1.00 30.59 C ATOM 293 CD2 LEU A 38 42.589 42.890 -22.649 1.00 30.71 C ATOM 294 N PRO A 39 42.048 40.521 -26.667 1.00 49.16 N ATOM 295 CA PRO A 39 42.734 39.737 -27.687 1.00 48.56 C ATOM 296 C PRO A 39 43.737 38.852 -27.010 1.00 48.33 C ATOM 297 O PRO A 39 44.589 39.402 -26.297 1.00 49.74 O ATOM 298 CB PRO A 39 43.369 40.772 -28.556 1.00 49.47 C ATOM 299 CG PRO A 39 43.599 41.931 -27.588 1.00 48.90 C ATOM 300 CD PRO A 39 42.238 41.952 -26.941 1.00 49.67 C ATOM 301 N GLY A 40 43.674 37.535 -27.151 1.00 48.19 N ATOM 302 CA GLY A 40 44.704 36.743 -26.500 1.00 48.64 C ATOM 303 C GLY A 40 44.410 35.281 -26.599 1.00 49.50 C ATOM 304 O GLY A 40 43.556 34.820 -27.353 1.00 51.92 O ATOM 305 N ARG A 41 45.123 34.549 -25.778 1.00 51.31 N ATOM 306 CA ARG A 41 45.060 33.095 -25.730 1.00 50.88 C ATOM 307 C ARG A 41 45.024 33.003 -24.217 1.00 47.25 C ATOM 308 O ARG A 41 45.886 33.560 -23.518 1.00 47.97 O ATOM 309 CB ARG A 41 46.345 32.517 -26.277 1.00 56.14 C ATOM 310 CG ARG A 41 46.313 31.120 -26.868 1.00 62.81 C ATOM 311 CD ARG A 41 45.576 30.110 -25.987 1.00 67.06 C ATOM 312 NE ARG A 41 46.191 29.918 -24.677 1.00 70.64 N ATOM 313 CZ ARG A 41 47.294 29.156 -24.515 1.00 71.97 C ATOM 314 NH1 ARG A 41 47.954 28.615 -25.574 1.00 72.95 N ATOM 315 NH2 ARG A 41 47.739 28.952 -23.258 1.00 72.91 N ATOM 316 N TRP A 42 44.018 32.347 -23.720 1.00 41.14 N ATOM 317 CA TRP A 42 43.813 32.352 -22.311 1.00 37.65 C ATOM 318 C TRP A 42 43.875 30.922 -21.839 1.00 37.82 C ATOM 319 O TRP A 42 43.887 30.006 -22.670 1.00 37.62 O ATOM 320 CB TRP A 42 42.463 33.063 -22.071 1.00 37.91 C ATOM 321 CG TRP A 42 41.194 32.575 -22.802 1.00 39.31 C ATOM 322 CD1 TRP A 42 40.714 33.081 -24.015 1.00 38.16 C ATOM 323 CD2 TRP A 42 40.361 31.604 -22.312 1.00 36.59 C ATOM 324 NE1 TRP A 42 39.594 32.417 -24.275 1.00 35.36 N ATOM 325 CE2 TRP A 42 39.356 31.545 -23.282 1.00 34.31 C ATOM 326 CE3 TRP A 42 40.393 30.814 -21.177 1.00 33.28 C ATOM 327 CZ2 TRP A 42 38.340 30.669 -23.109 1.00 33.06 C ATOM 328 CZ3 TRP A 42 39.355 29.935 -21.015 1.00 32.72 C ATOM 329 CH2 TRP A 42 38.354 29.877 -21.970 1.00 34.51 C ATOM 330 N LYS A 43 44.055 30.740 -20.539 1.00 37.88 N ATOM 331 CA LYS A 43 44.000 29.437 -19.900 1.00 40.69 C ATOM 332 C LYS A 43 43.010 29.569 -18.734 1.00 44.26 C ATOM 333 O LYS A 43 42.948 30.639 -18.111 1.00 47.10 O ATOM 334 CB LYS A 43 45.384 28.990 -19.357 1.00 43.95 C ATOM 335 CG LYS A 43 46.571 29.891 -18.861 1.00 46.91 C ATOM 336 CD LYS A 43 47.645 30.209 -19.937 1.00 47.57 C ATOM 337 CE LYS A 43 47.390 31.569 -20.661 1.00 48.16 C ATOM 338 NZ LYS A 43 47.982 31.649 -21.999 1.00 47.05 N ATOM 339 N PRO A 44 42.128 28.619 -18.426 1.00 44.77 N ATOM 340 CA PRO A 44 41.164 28.670 -17.317 1.00 45.30 C ATOM 341 C PRO A 44 41.775 28.878 -15.954 1.00 46.04 C ATOM 342 O PRO A 44 42.959 28.541 -15.794 1.00 50.75 O ATOM 343 CB PRO A 44 40.460 27.374 -17.377 1.00 46.18 C ATOM 344 CG PRO A 44 40.455 27.137 -18.869 1.00 48.11 C ATOM 345 CD PRO A 44 41.872 27.482 -19.273 1.00 46.00 C ATOM 346 N LYS A 45 41.051 29.375 -14.948 1.00 43.48 N ATOM 347 CA LYS A 45 41.624 29.507 -13.608 1.00 41.04 C ATOM 348 C LYS A 45 40.441 29.717 -12.652 1.00 39.20 C ATOM 349 O LYS A 45 39.482 30.411 -12.975 1.00 36.91 O ATOM 350 CB LYS A 45 42.583 30.699 -13.628 1.00 43.47 C ATOM 351 CG LYS A 45 43.295 30.974 -12.335 1.00 46.92 C ATOM 352 CD LYS A 45 44.659 30.306 -12.178 1.00 50.20 C ATOM 353 CE LYS A 45 45.167 30.644 -10.754 1.00 52.30 C ATOM 354 NZ LYS A 45 45.277 32.088 -10.517 1.00 54.78 N ATOM 355 N MET A 46 40.421 29.118 -11.475 1.00 36.47 N ATOM 356 CA MET A 46 39.283 29.172 -10.580 1.00 36.04 C ATOM 357 C MET A 46 39.770 30.125 -9.534 1.00 35.19 C ATOM 358 O MET A 46 40.960 30.025 -9.232 1.00 37.46 O ATOM 359 CB MET A 46 39.091 27.827 -9.967 1.00 41.46 C ATOM 360 CG MET A 46 37.696 27.375 -9.580 1.00 45.31 C ATOM 361 SD MET A 46 36.606 27.296 -11.034 1.00 50.45 S ATOM 362 CE MET A 46 37.632 26.289 -12.095 1.00 48.63 C ATOM 363 N ILE A 47 39.010 31.082 -8.999 1.00 33.83 N ATOM 364 CA ILE A 47 39.491 31.925 -7.918 1.00 30.22 C ATOM 365 C ILE A 47 38.378 31.951 -6.911 1.00 30.50 C ATOM 366 O ILE A 47 37.222 31.722 -7.235 1.00 26.61 O ATOM 367 CB ILE A 47 39.826 33.397 -8.306 1.00 30.28 C ATOM 368 CG1 ILE A 47 38.638 34.213 -8.767 1.00 31.84 C ATOM 369 CG2 ILE A 47 40.902 33.306 -9.369 1.00 28.99 C ATOM 370 CD1 ILE A 47 39.000 35.698 -9.092 1.00 32.20 C ATOM 371 N GLY A 48 38.746 32.145 -5.655 1.00 34.96 N ATOM 372 CA GLY A 48 37.788 32.073 -4.568 1.00 39.99 C ATOM 373 C GLY A 48 37.006 33.362 -4.379 1.00 42.85 C ATOM 374 O GLY A 48 37.484 34.451 -4.727 1.00 44.43 O ATOM 375 N GLY A 49 35.820 33.263 -3.804 1.00 43.14 N ATOM 376 CA GLY A 49 35.043 34.442 -3.513 1.00 47.57 C ATOM 377 C GLY A 49 34.054 34.137 -2.410 1.00 49.29 C ATOM 378 O GLY A 49 33.893 32.984 -1.969 1.00 48.72 O ATOM 379 N ILE A 50 33.428 35.208 -1.918 1.00 51.75 N ATOM 380 CA ILE A 50 32.347 35.074 -0.949 1.00 54.24 C ATOM 381 C ILE A 50 31.279 34.186 -1.618 1.00 53.89 C ATOM 382 O ILE A 50 30.959 34.340 -2.805 1.00 54.18 O ATOM 383 CB ILE A 50 31.803 36.501 -0.582 1.00 55.81 C ATOM 384 CG1 ILE A 50 30.569 36.422 0.317 1.00 57.44 C ATOM 385 CG2 ILE A 50 31.384 37.240 -1.856 1.00 57.03 C ATOM 386 CD1 ILE A 50 30.747 35.885 1.744 1.00 56.54 C ATOM 387 N GLY A 51 30.787 33.172 -0.908 1.00 52.25 N ATOM 388 CA GLY A 51 29.854 32.271 -1.556 1.00 52.49 C ATOM 389 C GLY A 51 30.559 31.140 -2.323 1.00 50.86 C ATOM 390 O GLY A 51 29.956 30.063 -2.419 1.00 51.11 O ATOM 391 N GLY A 52 31.784 31.250 -2.874 1.00 47.86 N ATOM 392 CA GLY A 52 32.385 30.105 -3.553 1.00 43.73 C ATOM 393 C GLY A 52 33.466 30.501 -4.531 1.00 41.65 C ATOM 394 O GLY A 52 33.933 31.640 -4.562 1.00 42.05 O ATOM 395 N PHE A 53 33.906 29.522 -5.302 1.00 41.24 N ATOM 396 CA PHE A 53 34.898 29.701 -6.356 1.00 40.92 C ATOM 397 C PHE A 53 34.203 30.108 -7.645 1.00 39.64 C ATOM 398 O PHE A 53 33.133 29.589 -7.980 1.00 40.87 O ATOM 399 CB PHE A 53 35.644 28.399 -6.601 1.00 44.44 C ATOM 400 CG PHE A 53 36.533 28.174 -5.407 1.00 48.71 C ATOM 401 CD1 PHE A 53 35.972 27.740 -4.206 1.00 49.15 C ATOM 402 CD2 PHE A 53 37.868 28.540 -5.497 1.00 48.98 C ATOM 403 CE1 PHE A 53 36.756 27.694 -3.078 1.00 49.63 C ATOM 404 CE2 PHE A 53 38.644 28.491 -4.360 1.00 50.08 C ATOM 405 CZ PHE A 53 38.089 28.075 -3.152 1.00 50.81 C ATOM 406 N ILE A 54 34.762 31.049 -8.378 1.00 36.45 N ATOM 407 CA ILE A 54 34.222 31.428 -9.650 1.00 33.43 C ATOM 408 C ILE A 54 35.305 31.056 -10.683 1.00 35.40 C ATOM 409 O ILE A 54 36.478 30.899 -10.311 1.00 37.80 O ATOM 410 CB ILE A 54 33.900 32.931 -9.617 1.00 32.45 C ATOM 411 CG1 ILE A 54 35.098 33.800 -9.449 1.00 32.29 C ATOM 412 CG2 ILE A 54 32.973 33.160 -8.444 1.00 30.83 C ATOM 413 CD1 ILE A 54 34.699 35.235 -9.868 1.00 31.45 C ATOM 414 N LYS A 55 35.007 30.778 -11.955 1.00 33.96 N ATOM 415 CA LYS A 55 36.012 30.468 -12.945 1.00 30.62 C ATOM 416 C LYS A 55 36.373 31.793 -13.590 1.00 28.95 C ATOM 417 O LYS A 55 35.468 32.593 -13.803 1.00 29.95 O ATOM 418 CB LYS A 55 35.487 29.614 -14.028 1.00 31.70 C ATOM 419 CG LYS A 55 34.963 28.238 -13.793 1.00 33.67 C ATOM 420 CD LYS A 55 34.820 27.788 -15.256 1.00 36.13 C ATOM 421 CE LYS A 55 35.602 26.542 -15.696 1.00 36.94 C ATOM 422 NZ LYS A 55 35.045 25.358 -15.059 1.00 39.85 N ATOM 423 N VAL A 56 37.600 32.100 -13.942 1.00 27.94 N ATOM 424 CA VAL A 56 37.951 33.331 -14.627 1.00 27.74 C ATOM 425 C VAL A 56 38.891 32.879 -15.739 1.00 28.46 C ATOM 426 O VAL A 56 39.221 31.687 -15.835 1.00 29.88 O ATOM 427 CB VAL A 56 38.697 34.397 -13.723 1.00 27.61 C ATOM 428 CG1 VAL A 56 37.728 35.069 -12.765 1.00 26.28 C ATOM 429 CG2 VAL A 56 39.768 33.753 -12.883 1.00 28.39 C ATOM 430 N ARG A 57 39.322 33.792 -16.611 1.00 28.83 N ATOM 431 CA ARG A 57 40.195 33.474 -17.711 1.00 26.88 C ATOM 432 C ARG A 57 41.528 34.165 -17.486 1.00 26.69 C ATOM 433 O ARG A 57 41.551 35.373 -17.324 1.00 26.27 O ATOM 434 CB ARG A 57 39.658 33.974 -19.037 1.00 25.29 C ATOM 435 CG ARG A 57 38.276 33.514 -19.437 1.00 25.20 C ATOM 436 CD ARG A 57 37.974 33.937 -20.895 1.00 24.55 C ATOM 437 NE ARG A 57 38.222 35.341 -21.119 1.00 24.77 N ATOM 438 CZ ARG A 57 37.316 36.312 -20.934 1.00 24.97 C ATOM 439 NH1 ARG A 57 36.154 36.091 -20.350 1.00 24.04 N ATOM 440 NH2 ARG A 57 37.629 37.571 -21.223 1.00 24.38 N ATOM 441 N GLN A 58 42.655 33.455 -17.512 1.00 25.89 N ATOM 442 CA GLN A 58 43.958 34.040 -17.315 1.00 26.05 C ATOM 443 C GLN A 58 44.728 34.503 -18.566 1.00 26.10 C ATOM 444 O GLN A 58 45.175 33.690 -19.362 1.00 27.61 O ATOM 445 CB GLN A 58 44.736 33.022 -16.530 1.00 23.35 C ATOM 446 CG GLN A 58 46.084 33.593 -16.245 1.00 25.01 C ATOM 447 CD GLN A 58 47.012 32.637 -15.550 1.00 27.97 C ATOM 448 OE1 GLN A 58 48.162 32.650 -15.914 1.00 30.53 O ATOM 449 NE2 GLN A 58 46.740 31.798 -14.554 1.00 29.62 N ATOM 450 N TYR A 59 44.929 35.789 -18.756 1.00 26.73 N ATOM 451 CA TYR A 59 45.679 36.355 -19.847 1.00 29.17 C ATOM 452 C TYR A 59 47.095 36.678 -19.342 1.00 30.84 C ATOM 453 O TYR A 59 47.235 37.538 -18.458 1.00 32.57 O ATOM 454 CB TYR A 59 45.010 37.648 -20.321 1.00 33.56 C ATOM 455 CG TYR A 59 43.647 37.415 -20.912 1.00 38.93 C ATOM 456 CD1 TYR A 59 42.562 37.109 -20.105 1.00 41.74 C ATOM 457 CD2 TYR A 59 43.550 37.329 -22.281 1.00 41.78 C ATOM 458 CE1 TYR A 59 41.389 36.675 -20.677 1.00 42.67 C ATOM 459 CE2 TYR A 59 42.380 36.895 -22.860 1.00 42.91 C ATOM 460 CZ TYR A 59 41.329 36.558 -22.048 1.00 42.49 C ATOM 461 OH TYR A 59 40.260 35.941 -22.626 1.00 43.96 O ATOM 462 N ASP A 60 48.184 36.031 -19.776 1.00 30.42 N ATOM 463 CA ASP A 60 49.549 36.399 -19.405 1.00 27.75 C ATOM 464 C ASP A 60 50.108 37.474 -20.304 1.00 25.12 C ATOM 465 O ASP A 60 49.522 37.775 -21.328 1.00 27.25 O ATOM 466 CB ASP A 60 50.439 35.217 -19.493 1.00 30.74 C ATOM 467 CG ASP A 60 49.994 34.137 -18.530 1.00 34.96 C ATOM 468 OD1 ASP A 60 49.630 34.497 -17.424 1.00 37.27 O ATOM 469 OD2 ASP A 60 50.008 32.940 -18.865 1.00 38.61 O ATOM 470 N GLN A 61 51.196 38.096 -19.959 1.00 21.44 N ATOM 471 CA GLN A 61 51.715 39.205 -20.715 1.00 26.68 C ATOM 472 C GLN A 61 50.852 40.418 -21.077 1.00 26.89 C ATOM 473 O GLN A 61 51.262 41.211 -21.938 1.00 28.28 O ATOM 474 CB GLN A 61 52.305 38.696 -22.005 1.00 30.44 C ATOM 475 CG GLN A 61 53.703 39.210 -22.241 1.00 30.85 C ATOM 476 CD GLN A 61 54.673 38.394 -21.457 1.00 35.11 C ATOM 477 OE1 GLN A 61 55.869 38.607 -21.590 1.00 41.78 O ATOM 478 NE2 GLN A 61 54.292 37.402 -20.652 1.00 34.31 N ATOM 479 N ILE A 62 49.717 40.719 -20.460 1.00 27.32 N ATOM 480 CA ILE A 62 48.974 41.895 -20.905 1.00 28.35 C ATOM 481 C ILE A 62 49.698 43.185 -20.424 1.00 28.46 C ATOM 482 O ILE A 62 50.371 43.201 -19.372 1.00 27.21 O ATOM 483 CB ILE A 62 47.536 41.830 -20.358 1.00 26.96 C ATOM 484 CG1 ILE A 62 46.892 40.531 -20.679 1.00 28.44 C ATOM 485 CG2 ILE A 62 46.683 42.864 -21.044 1.00 29.85 C ATOM 486 CD1 ILE A 62 46.904 40.091 -22.141 1.00 32.39 C ATOM 487 N LEU A 63 49.632 44.217 -21.278 1.00 28.20 N ATOM 488 CA LEU A 63 50.169 45.531 -20.985 1.00 31.02 C ATOM 489 C LEU A 63 48.941 46.170 -20.399 1.00 32.98 C ATOM 490 O LEU A 63 47.831 45.927 -20.901 1.00 35.79 O ATOM 491 CB LEU A 63 50.568 46.397 -22.202 1.00 31.06 C ATOM 492 CG LEU A 63 50.865 47.908 -21.907 1.00 34.30 C ATOM 493 CD1 LEU A 63 52.119 48.002 -21.061 1.00 35.28 C ATOM 494 CD2 LEU A 63 51.097 48.728 -23.171 1.00 35.65 C ATOM 495 N ILE A 64 49.176 46.948 -19.344 1.00 32.61 N ATOM 496 CA ILE A 64 48.156 47.683 -18.627 1.00 31.95 C ATOM 497 C ILE A 64 48.856 48.969 -18.245 1.00 30.98 C ATOM 498 O ILE A 64 50.092 48.992 -18.233 1.00 29.46 O ATOM 499 CB ILE A 64 47.700 46.804 -17.421 1.00 34.70 C ATOM 500 CG1 ILE A 64 46.898 47.649 -16.454 1.00 36.68 C ATOM 501 CG2 ILE A 64 48.881 46.190 -16.713 1.00 36.13 C ATOM 502 CD1 ILE A 64 46.089 46.836 -15.427 1.00 39.22 C ATOM 503 N GLU A 65 48.148 50.064 -17.980 1.00 32.44 N ATOM 504 CA GLU A 65 48.817 51.312 -17.679 1.00 35.74 C ATOM 505 C GLU A 65 48.175 51.955 -16.467 1.00 36.06 C ATOM 506 O GLU A 65 47.183 52.676 -16.588 1.00 36.45 O ATOM 507 CB GLU A 65 48.702 52.163 -18.896 1.00 39.98 C ATOM 508 CG GLU A 65 49.624 53.334 -19.072 1.00 48.07 C ATOM 509 CD GLU A 65 49.358 54.002 -20.433 1.00 54.82 C ATOM 510 OE1 GLU A 65 49.795 53.441 -21.466 1.00 56.24 O ATOM 511 OE2 GLU A 65 48.687 55.063 -20.451 1.00 57.16 O ATOM 512 N ILE A 66 48.766 51.704 -15.290 1.00 36.43 N ATOM 513 CA ILE A 66 48.259 52.150 -13.988 1.00 35.28 C ATOM 514 C ILE A 66 48.912 53.489 -13.720 1.00 37.89 C ATOM 515 O ILE A 66 50.141 53.654 -13.810 1.00 35.00 O ATOM 516 CB ILE A 66 48.634 51.238 -12.762 1.00 32.17 C ATOM 517 CG1 ILE A 66 48.268 49.768 -12.934 1.00 30.76 C ATOM 518 CG2 ILE A 66 47.871 51.774 -11.579 1.00 28.01 C ATOM 519 CD1 ILE A 66 49.408 48.892 -13.484 1.00 29.25 C ATOM 520 N CYS A 67 48.013 54.432 -13.406 1.00 42.45 N ATOM 521 CA CYS A 67 48.343 55.819 -13.081 1.00 44.44 C ATOM 522 C CYS A 67 49.598 56.333 -13.757 1.00 45.06 C ATOM 523 O CYS A 67 50.661 56.675 -13.204 1.00 44.49 O ATOM 524 CB CYS A 67 48.461 55.967 -11.584 1.00 45.25 C ATOM 525 SG CYS A 67 47.322 57.330 -11.277 1.00 52.35 S ATOM 526 N GLY A 68 49.326 56.188 -15.062 1.00 46.03 N ATOM 527 CA GLY A 68 50.240 56.475 -16.154 1.00 45.45 C ATOM 528 C GLY A 68 51.497 55.647 -16.037 1.00 43.66 C ATOM 529 O GLY A 68 52.556 56.242 -16.121 1.00 48.68 O ATOM 530 N HIS A 69 51.556 54.360 -15.741 1.00 41.20 N ATOM 531 CA HIS A 69 52.828 53.643 -15.720 1.00 40.20 C ATOM 532 C HIS A 69 52.486 52.310 -16.399 1.00 40.53 C ATOM 533 O HIS A 69 51.509 51.610 -16.084 1.00 40.87 O ATOM 534 CB HIS A 69 53.322 53.418 -14.288 1.00 36.88 C ATOM 535 CG HIS A 69 53.752 54.658 -13.488 1.00 36.31 C ATOM 536 ND1 HIS A 69 53.100 55.808 -13.281 1.00 33.48 N ATOM 537 CD2 HIS A 69 54.929 54.735 -12.737 1.00 35.55 C ATOM 538 CE1 HIS A 69 53.809 56.539 -12.443 1.00 34.30 C ATOM 539 NE2 HIS A 69 54.923 55.898 -12.114 1.00 33.15 N ATOM 540 N LYS A 70 53.226 52.066 -17.475 1.00 39.85 N ATOM 541 CA LYS A 70 53.041 50.890 -18.295 1.00 40.48 C ATOM 542 C LYS A 70 53.522 49.711 -17.500 1.00 39.87 C ATOM 543 O LYS A 70 54.560 49.791 -16.854 1.00 42.19 O ATOM 544 CB LYS A 70 53.856 50.999 -19.526 1.00 43.17 C ATOM 545 CG LYS A 70 53.384 52.141 -20.366 1.00 45.39 C ATOM 546 CD LYS A 70 54.273 52.069 -21.576 1.00 49.67 C ATOM 547 CE LYS A 70 53.745 53.100 -22.551 1.00 53.21 C ATOM 548 NZ LYS A 70 52.397 52.736 -23.006 1.00 56.20 N ATOM 549 N ALA A 71 52.847 48.603 -17.541 1.00 37.70 N ATOM 550 CA ALA A 71 53.222 47.514 -16.704 1.00 37.00 C ATOM 551 C ALA A 71 52.849 46.269 -17.522 1.00 38.32 C ATOM 552 O ALA A 71 51.854 46.295 -18.274 1.00 41.72 O ATOM 553 CB ALA A 71 52.395 47.721 -15.450 1.00 35.93 C ATOM 554 N ILE A 72 53.600 45.172 -17.481 1.00 33.33 N ATOM 555 CA ILE A 72 53.255 44.000 -18.230 1.00 28.66 C ATOM 556 C ILE A 72 53.060 42.998 -17.137 1.00 26.52 C ATOM 557 O ILE A 72 53.941 42.808 -16.293 1.00 24.42 O ATOM 558 CB ILE A 72 54.418 43.594 -19.187 1.00 29.79 C ATOM 559 CG1 ILE A 72 54.164 44.225 -20.532 1.00 31.61 C ATOM 560 CG2 ILE A 72 54.487 42.117 -19.465 1.00 29.24 C ATOM 561 CD1 ILE A 72 54.486 45.714 -20.592 1.00 31.75 C ATOM 562 N GLY A 73 51.899 42.364 -17.148 1.00 24.00 N ATOM 563 CA GLY A 73 51.697 41.280 -16.224 1.00 22.09 C ATOM 564 C GLY A 73 50.466 40.508 -16.614 1.00 23.25 C ATOM 565 O GLY A 73 49.769 40.837 -17.575 1.00 24.32 O ATOM 566 N THR A 74 50.218 39.458 -15.877 1.00 21.04 N ATOM 567 CA THR A 74 49.054 38.652 -16.082 1.00 23.11 C ATOM 568 C THR A 74 47.845 39.349 -15.469 1.00 26.12 C ATOM 569 O THR A 74 47.962 39.894 -14.360 1.00 26.43 O ATOM 570 CB THR A 74 49.271 37.335 -15.397 1.00 22.08 C ATOM 571 OG1 THR A 74 50.494 36.877 -15.919 1.00 23.55 O ATOM 572 CG2 THR A 74 48.131 36.362 -15.545 1.00 20.84 C ATOM 573 N VAL A 75 46.686 39.308 -16.114 1.00 26.15 N ATOM 574 CA VAL A 75 45.485 39.767 -15.462 1.00 27.03 C ATOM 575 C VAL A 75 44.532 38.586 -15.525 1.00 27.95 C ATOM 576 O VAL A 75 44.615 37.788 -16.470 1.00 28.55 O ATOM 577 CB VAL A 75 44.889 40.942 -16.188 1.00 28.94 C ATOM 578 CG1 VAL A 75 45.879 42.088 -16.276 1.00 28.24 C ATOM 579 CG2 VAL A 75 44.533 40.507 -17.593 1.00 32.57 C ATOM 580 N LEU A 76 43.698 38.388 -14.515 1.00 25.08 N ATOM 581 CA LEU A 76 42.659 37.379 -14.574 1.00 24.93 C ATOM 582 C LEU A 76 41.361 38.128 -15.011 1.00 24.85 C ATOM 583 O LEU A 76 41.078 39.182 -14.457 1.00 25.60 O ATOM 584 CB LEU A 76 42.525 36.733 -13.188 1.00 23.92 C ATOM 585 CG LEU A 76 43.683 35.899 -12.640 1.00 23.52 C ATOM 586 CD1 LEU A 76 43.349 35.331 -11.297 1.00 21.29 C ATOM 587 CD2 LEU A 76 43.860 34.645 -13.449 1.00 23.77 C ATOM 588 N VAL A 77 40.526 37.780 -16.002 1.00 22.03 N ATOM 589 CA VAL A 77 39.347 38.530 -16.381 1.00 18.76 C ATOM 590 C VAL A 77 38.164 37.707 -15.922 1.00 20.01 C ATOM 591 O VAL A 77 38.164 36.477 -16.069 1.00 23.07 O ATOM 592 CB VAL A 77 39.463 38.699 -17.845 1.00 15.14 C ATOM 593 CG1 VAL A 77 38.342 39.450 -18.447 1.00 14.43 C ATOM 594 CG2 VAL A 77 40.626 39.603 -18.064 1.00 16.89 C ATOM 595 N GLY A 78 37.125 38.252 -15.315 1.00 21.07 N ATOM 596 CA GLY A 78 36.102 37.372 -14.768 1.00 22.24 C ATOM 597 C GLY A 78 35.020 38.159 -14.077 1.00 23.95 C ATOM 598 O GLY A 78 35.142 39.386 -13.976 1.00 24.34 O ATOM 599 N PRO A 79 33.905 37.567 -13.627 1.00 26.67 N ATOM 600 CA PRO A 79 32.810 38.262 -12.975 1.00 25.97 C ATOM 601 C PRO A 79 33.234 38.541 -11.571 1.00 27.54 C ATOM 602 O PRO A 79 32.891 37.789 -10.667 1.00 29.83 O ATOM 603 CB PRO A 79 31.663 37.322 -13.064 1.00 24.99 C ATOM 604 CG PRO A 79 32.313 35.969 -12.891 1.00 26.76 C ATOM 605 CD PRO A 79 33.587 36.135 -13.730 1.00 26.35 C ATOM 606 N THR A 80 34.062 39.561 -11.430 1.00 29.92 N ATOM 607 CA THR A 80 34.467 40.006 -10.125 1.00 31.28 C ATOM 608 C THR A 80 33.642 41.253 -9.841 1.00 30.69 C ATOM 609 O THR A 80 33.395 42.054 -10.755 1.00 30.74 O ATOM 610 CB THR A 80 35.977 40.286 -10.140 1.00 31.14 C ATOM 611 OG1 THR A 80 36.230 40.774 -8.827 1.00 34.31 O ATOM 612 CG2 THR A 80 36.467 41.253 -11.192 1.00 31.36 C ATOM 613 N PRO A 81 33.159 41.451 -8.593 1.00 30.86 N ATOM 614 CA PRO A 81 32.448 42.646 -8.163 1.00 28.82 C ATOM 615 C PRO A 81 33.351 43.823 -8.186 1.00 30.29 C ATOM 616 O PRO A 81 32.801 44.903 -8.345 1.00 32.67 O ATOM 617 CB PRO A 81 31.971 42.389 -6.802 1.00 27.93 C ATOM 618 CG PRO A 81 33.002 41.426 -6.300 1.00 29.66 C ATOM 619 CD PRO A 81 33.232 40.499 -7.488 1.00 30.62 C ATOM 620 N VAL A 82 34.682 43.645 -8.034 1.00 31.05 N ATOM 621 CA VAL A 82 35.612 44.765 -8.065 1.00 28.83 C ATOM 622 C VAL A 82 36.922 44.465 -8.756 1.00 27.75 C ATOM 623 O VAL A 82 37.484 43.389 -8.603 1.00 26.34 O ATOM 624 CB VAL A 82 35.859 45.223 -6.623 1.00 28.09 C ATOM 625 CG1 VAL A 82 36.469 44.125 -5.817 1.00 30.14 C ATOM 626 CG2 VAL A 82 36.794 46.404 -6.621 1.00 30.27 C ATOM 627 N ASN A 83 37.370 45.461 -9.526 1.00 29.18 N ATOM 628 CA ASN A 83 38.639 45.443 -10.272 1.00 28.94 C ATOM 629 C ASN A 83 39.782 45.629 -9.295 1.00 24.99 C ATOM 630 O ASN A 83 39.862 46.671 -8.670 1.00 26.66 O ATOM 631 CB ASN A 83 38.785 46.588 -11.293 1.00 28.89 C ATOM 632 CG ASN A 83 37.785 46.604 -12.432 1.00 29.60 C ATOM 633 OD1 ASN A 83 37.458 45.583 -13.040 1.00 29.95 O ATOM 634 ND2 ASN A 83 37.264 47.778 -12.774 1.00 30.09 N ATOM 635 N ILE A 84 40.685 44.694 -9.155 1.00 22.23 N ATOM 636 CA ILE A 84 41.739 44.698 -8.177 1.00 20.90 C ATOM 637 C ILE A 84 43.066 44.739 -8.887 1.00 21.88 C ATOM 638 O ILE A 84 43.198 43.944 -9.813 1.00 25.76 O ATOM 639 CB ILE A 84 41.477 43.418 -7.398 1.00 19.27 C ATOM 640 CG1 ILE A 84 40.447 43.766 -6.384 1.00 18.31 C ATOM 641 CG2 ILE A 84 42.696 42.817 -6.806 1.00 16.40 C ATOM 642 CD1 ILE A 84 39.778 42.470 -6.030 1.00 18.77 C ATOM 643 N ILE A 85 44.027 45.615 -8.535 1.00 22.05 N ATOM 644 CA ILE A 85 45.407 45.630 -9.031 1.00 17.90 C ATOM 645 C ILE A 85 46.128 45.068 -7.810 1.00 19.90 C ATOM 646 O ILE A 85 46.132 45.662 -6.732 1.00 19.24 O ATOM 647 CB ILE A 85 45.872 47.069 -9.335 1.00 16.12 C ATOM 648 CG1 ILE A 85 45.151 47.643 -10.522 1.00 16.64 C ATOM 649 CG2 ILE A 85 47.325 47.079 -9.650 1.00 17.17 C ATOM 650 CD1 ILE A 85 44.934 46.662 -11.685 1.00 17.42 C ATOM 651 N GLY A 86 46.606 43.844 -7.938 1.00 20.91 N ATOM 652 CA GLY A 86 47.282 43.168 -6.872 1.00 18.81 C ATOM 653 C GLY A 86 48.785 43.253 -6.955 1.00 18.11 C ATOM 654 O GLY A 86 49.353 43.927 -7.796 1.00 20.08 O ATOM 655 N ARG A 87 49.526 42.527 -6.146 1.00 19.68 N ATOM 656 CA ARG A 87 50.954 42.682 -6.044 1.00 22.16 C ATOM 657 C ARG A 87 51.669 42.270 -7.296 1.00 23.54 C ATOM 658 O ARG A 87 52.629 42.954 -7.653 1.00 27.17 O ATOM 659 CB ARG A 87 51.492 41.882 -4.870 1.00 22.58 C ATOM 660 CG ARG A 87 51.364 42.411 -3.416 1.00 20.02 C ATOM 661 CD ARG A 87 51.431 41.230 -2.453 1.00 20.70 C ATOM 662 NE ARG A 87 52.592 40.493 -2.890 1.00 24.27 N ATOM 663 CZ ARG A 87 52.571 39.173 -3.039 1.00 25.80 C ATOM 664 NH1 ARG A 87 51.557 38.418 -2.631 1.00 23.87 N ATOM 665 NH2 ARG A 87 53.639 38.592 -3.572 1.00 29.00 N ATOM 666 N ASN A 88 51.244 41.252 -8.025 1.00 22.12 N ATOM 667 CA ASN A 88 51.888 40.981 -9.300 1.00 20.95 C ATOM 668 C ASN A 88 52.044 42.208 -10.180 1.00 20.95 C ATOM 669 O ASN A 88 53.042 42.222 -10.877 1.00 29.02 O ATOM 670 CB ASN A 88 51.152 39.960 -10.153 1.00 19.19 C ATOM 671 CG ASN A 88 49.936 40.458 -10.896 1.00 19.97 C ATOM 672 OD1 ASN A 88 49.022 41.040 -10.334 1.00 21.79 O ATOM 673 ND2 ASN A 88 49.817 40.245 -12.178 1.00 21.89 N ATOM 674 N LEU A 89 51.232 43.269 -10.188 1.00 19.00 N ATOM 675 CA LEU A 89 51.485 44.433 -11.016 1.00 16.67 C ATOM 676 C LEU A 89 51.927 45.584 -10.153 1.00 20.27 C ATOM 677 O LEU A 89 52.550 46.498 -10.721 1.00 21.78 O ATOM 678 CB LEU A 89 50.280 44.935 -11.753 1.00 16.26 C ATOM 679 CG LEU A 89 49.820 44.346 -13.061 1.00 17.65 C ATOM 680 CD1 LEU A 89 50.334 42.999 -13.310 1.00 13.72 C ATOM 681 CD2 LEU A 89 48.348 44.177 -12.972 1.00 14.15 C ATOM 682 N LEU A 90 51.700 45.624 -8.814 1.00 20.37 N ATOM 683 CA LEU A 90 52.110 46.793 -8.029 1.00 19.58 C ATOM 684 C LEU A 90 53.621 46.880 -8.070 1.00 19.01 C ATOM 685 O LEU A 90 54.183 47.940 -8.264 1.00 21.38 O ATOM 686 CB LEU A 90 51.522 46.655 -6.601 1.00 17.94 C ATOM 687 CG LEU A 90 49.992 46.986 -6.521 1.00 17.38 C ATOM 688 CD1 LEU A 90 49.358 46.747 -5.161 1.00 13.95 C ATOM 689 CD2 LEU A 90 49.835 48.442 -6.773 1.00 17.30 C ATOM 690 N THR A 91 54.302 45.756 -7.985 1.00 19.65 N ATOM 691 CA THR A 91 55.719 45.544 -8.243 1.00 17.45 C ATOM 692 C THR A 91 56.340 46.269 -9.450 1.00 19.06 C ATOM 693 O THR A 91 57.270 47.044 -9.376 1.00 21.41 O ATOM 694 CB THR A 91 55.698 44.078 -8.305 1.00 16.72 C ATOM 695 OG1 THR A 91 55.678 43.640 -6.960 1.00 18.35 O ATOM 696 CG2 THR A 91 56.765 43.537 -9.110 1.00 19.54 C ATOM 697 N GLN A 92 55.756 46.119 -10.609 1.00 21.27 N ATOM 698 CA GLN A 92 56.232 46.651 -11.858 1.00 20.97 C ATOM 699 C GLN A 92 56.182 48.160 -11.890 1.00 24.65 C ATOM 700 O GLN A 92 57.097 48.824 -12.407 1.00 25.07 O ATOM 701 CB GLN A 92 55.371 46.042 -12.948 1.00 20.36 C ATOM 702 CG GLN A 92 55.470 44.510 -12.878 1.00 22.05 C ATOM 703 CD GLN A 92 56.823 43.994 -13.317 1.00 20.82 C ATOM 704 OE1 GLN A 92 57.359 44.491 -14.289 1.00 23.82 O ATOM 705 NE2 GLN A 92 57.453 43.020 -12.712 1.00 19.35 N ATOM 706 N ILE A 93 55.097 48.725 -11.334 1.00 26.18 N ATOM 707 CA ILE A 93 55.001 50.180 -11.313 1.00 23.58 C ATOM 708 C ILE A 93 55.877 50.738 -10.185 1.00 25.20 C ATOM 709 O ILE A 93 56.062 51.954 -10.120 1.00 26.86 O ATOM 710 CB ILE A 93 53.509 50.654 -11.162 1.00 22.03 C ATOM 711 CG1 ILE A 93 52.767 50.152 -9.946 1.00 19.71 C ATOM 712 CG2 ILE A 93 52.831 50.176 -12.420 1.00 21.76 C ATOM 713 CD1 ILE A 93 51.346 50.649 -9.893 1.00 17.74 C ATOM 714 N GLY A 94 56.481 49.908 -9.321 1.00 25.08 N ATOM 715 CA GLY A 94 57.347 50.391 -8.267 1.00 27.50 C ATOM 716 C GLY A 94 56.581 50.826 -7.021 1.00 31.49 C ATOM 717 O GLY A 94 57.015 51.717 -6.280 1.00 37.88 O ATOM 718 N CYS A 95 55.436 50.234 -6.687 1.00 30.11 N ATOM 719 CA CYS A 95 54.716 50.613 -5.473 1.00 27.44 C ATOM 720 C CYS A 95 55.480 50.187 -4.250 1.00 28.09 C ATOM 721 O CYS A 95 56.080 49.088 -4.211 1.00 29.17 O ATOM 722 CB CYS A 95 53.406 49.930 -5.351 1.00 28.45 C ATOM 723 SG CYS A 95 52.095 51.119 -5.127 1.00 26.13 S ATOM 724 N THR A 96 55.439 51.068 -3.265 1.00 25.53 N ATOM 725 CA THR A 96 55.903 50.713 -1.945 1.00 24.82 C ATOM 726 C THR A 96 54.875 51.163 -0.898 1.00 25.75 C ATOM 727 O THR A 96 54.017 52.019 -1.197 1.00 25.65 O ATOM 728 CB THR A 96 57.257 51.368 -1.703 1.00 25.50 C ATOM 729 OG1 THR A 96 57.234 52.688 -2.253 1.00 29.44 O ATOM 730 CG2 THR A 96 58.353 50.530 -2.281 1.00 26.19 C ATOM 731 N LEU A 97 54.840 50.543 0.282 1.00 24.36 N ATOM 732 CA LEU A 97 54.052 51.039 1.392 1.00 24.24 C ATOM 733 C LEU A 97 55.071 51.775 2.238 1.00 23.77 C ATOM 734 O LEU A 97 56.187 51.341 2.511 1.00 16.34 O ATOM 735 CB LEU A 97 53.417 49.899 2.169 1.00 26.39 C ATOM 736 CG LEU A 97 52.222 49.121 1.577 1.00 26.50 C ATOM 737 CD1 LEU A 97 52.131 47.738 2.222 1.00 27.12 C ATOM 738 CD2 LEU A 97 50.938 49.890 1.818 1.00 26.32 C ATOM 739 N ASN A 98 54.709 52.975 2.618 1.00 27.93 N ATOM 740 CA ASN A 98 55.612 53.860 3.315 1.00 28.65 C ATOM 741 C ASN A 98 54.963 54.500 4.507 1.00 28.98 C ATOM 742 O ASN A 98 53.869 55.078 4.352 1.00 32.28 O ATOM 743 CB ASN A 98 56.039 54.934 2.386 1.00 32.43 C ATOM 744 CG ASN A 98 56.972 54.451 1.305 1.00 36.47 C ATOM 745 OD1 ASN A 98 58.188 54.419 1.464 1.00 39.74 O ATOM 746 ND2 ASN A 98 56.447 54.033 0.164 1.00 39.07 N ATOM 747 N PHE A 99 55.613 54.393 5.658 1.00 29.40 N ATOM 748 CA PHE A 99 55.232 55.089 6.899 1.00 33.20 C ATOM 749 C PHE A 99 56.437 55.175 7.844 1.00 36.13 C ATOM 750 O PHE A 99 57.487 54.635 7.494 1.00 40.14 O ATOM 751 CB PHE A 99 54.112 54.384 7.645 1.00 30.74 C ATOM 752 CG PHE A 99 54.412 52.971 8.056 1.00 30.41 C ATOM 753 CD1 PHE A 99 54.272 51.950 7.139 1.00 31.67 C ATOM 754 CD2 PHE A 99 54.808 52.714 9.330 1.00 29.01 C ATOM 755 CE1 PHE A 99 54.532 50.652 7.504 1.00 30.12 C ATOM 756 CE2 PHE A 99 55.060 51.415 9.685 1.00 29.33 C ATOM 757 CZ PHE A 99 54.925 50.386 8.786 1.00 29.59 C ATOM 758 OXT PHE A 99 56.356 55.723 8.949 1.00 40.86 O TER 759 PHE A 99 MASTER 284 0 0 1 8 0 0 6 758 1 0 8 END If you find results from this site helpful for your research, please cite one of our papers:
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