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HEADER HYDROLASE(ACID PROTEASE) 26-JAN-94 1HVI
TITLE INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES
TITLE 2 FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HIV-1 PROTEASE;
COMPND 3 CHAIN: A, B;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1;
SOURCE 3 ORGANISM_TAXID: 11676;
SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS HYDROLASE(ACID PROTEASE)
EXPDTA X-RAY DIFFRACTION
AUTHOR T.N.BHAT,M.V.HOSUR,E.T.BALDWIN,J.W.ERICKSON
REVDAT 2 24-FEB-09 1HVI 1 VERSN
REVDAT 1 30-APR-94 1HVI 0
JRNL AUTH M.V.HOSUR,T.N.BHAT,D.KEMPF,E.T.BALDWIN,B.LIU,
JRNL AUTH 2 S.GULNIK,N.E.WIDEBURG,D.W.NORBECK,K.APPELT,
JRNL AUTH 3 J.W.ERICKSON
JRNL TITL INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND
JRNL TITL 2 BINDING MODES FOR C2 SYMMETRY-BASED DIOL
JRNL TITL 3 INHIBITORS OF HIV-1 PROTEASE
JRNL REF J.AM.CHEM.SOC. V. 116 847 1994
JRNL REFN ISSN 0002-7863
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH A.WLODAWER,J.W.ERICKSON
REMARK 1 TITL STRUCTURE-BASED INHIBITORS OF HIV-1 PROTEASE
REMARK 1 REF ANNU.REV.BIOCHEM. V. 62 543 1993
REMARK 1 REFN ISSN 0066-4154
REMARK 2
REMARK 2 RESOLUTION. 1.80 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) : 1.80
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL
REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000
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 : 17998
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) : 0.181
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 : 1846
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 116
REMARK 3 SOLVENT ATOMS : 3
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) : 0.014
REMARK 3 BOND ANGLES (DEGREES) : 2.60
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 1HVI 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: X-PLOR
REMARK 200 STARTING MODEL: NULL
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 44.94
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.23
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: NULL
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X+1/2,-Y,Z+1/2
REMARK 290 3555 -X,Y+1/2,-Z+1/2
REMARK 290 4555 X+1/2,-Y+1/2,-Z
REMARK 290
REMARK 290 WHERE NNN -> OPERATOR NUMBER
REMARK 290 MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 25.99000
REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 31.15500
REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 29.82500
REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 31.15500
REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 25.99000
REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 29.82500
REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 5250 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 9130 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -32.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 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 A 6 CE2 TRP A 6 CD2 0.079
REMARK 500 TRP A 42 CE2 TRP A 42 CD2 0.074
REMARK 500 TRP B 6 CE2 TRP B 6 CD2 0.087
REMARK 500 TRP B 42 CE2 TRP B 42 CD2 0.077
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 ARG A 41 NE - CZ - NH2 ANGL. DEV. = -3.3 DEGREES
REMARK 500 MET B 46 CA - CB - CG ANGL. DEV. = -11.4 DEGREES
REMARK 500 ARG B 57 NE - CZ - NH2 ANGL. DEV. = -4.2 DEGREES
REMARK 500
REMARK 500 REMARK: NULL
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE A77 A 800
DBREF 1HVI A 1 99 UNP P03368 POL_HV1PV 69 167
DBREF 1HVI B 1 99 UNP P03368 POL_HV1PV 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
SEQRES 1 B 99 PRO GLN ILE THR LEU TRP GLN ARG PRO LEU VAL THR ILE
SEQRES 2 B 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR
SEQRES 3 B 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET SER LEU PRO
SEQRES 4 B 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY
SEQRES 5 B 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU
SEQRES 6 B 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY
SEQRES 7 B 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR
SEQRES 8 B 99 GLN ILE GLY CYS THR LEU ASN PHE
HET A77 A 800 116
HETNAM A77 N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-
HETNAM 2 A77 METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-
HETNAM 3 A77 PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-
HETNAM 4 A77 YLMETHYL-UREIDO)-BUTYRAMIDE
FORMUL 3 A77 C44 H58 N8 O6
FORMUL 4 HOH *(H2 O)
HELIX 1 1 GLY A 86 THR A 91 1 6
HELIX 2 2 GLY B 86 THR B 91 1 6
SHEET 1 A 4 GLN A 2 ILE A 3 0
SHEET 2 A 4 THR B 96 ASN B 98 -1 O LEU B 97 N ILE A 3
SHEET 3 A 4 THR A 96 ASN A 98 -1 O THR A 96 N ASN B 98
SHEET 4 A 4 GLN B 2 ILE B 3 -1 N ILE B 3 O LEU A 97
SITE 1 AC1 18 ARG A 8 ASP A 25 GLY A 27 ALA A 28
SITE 2 AC1 18 ASP A 29 GLY A 48 GLY A 49 ILE A 50
SITE 3 AC1 18 VAL A 82 HOH A 415 ARG B 8 ASP B 25
SITE 4 AC1 18 GLY B 27 ALA B 28 ASP B 29 GLY B 48
SITE 5 AC1 18 GLY B 49 PRO B 81
CRYST1 51.980 59.650 62.310 90.00 90.00 90.00 P 21 21 21 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 0.019238 0.000000 0.000000 0.00000
SCALE2 0.000000 0.016764 0.000000 0.00000
SCALE3 0.000000 0.000000 0.016049 0.00000
ATOM 1 N PRO A 1 -3.609 7.549 33.926 1.00 27.71 N
ATOM 2 CA PRO A 1 -2.655 6.720 34.710 1.00 27.34 C
ATOM 3 C PRO A 1 -1.219 6.969 34.289 1.00 27.56 C
ATOM 4 O PRO A 1 -1.000 7.590 33.270 1.00 29.50 O
ATOM 5 CB PRO A 1 -3.028 5.271 34.444 1.00 27.00 C
ATOM 6 CG PRO A 1 -3.683 5.350 33.091 1.00 26.56 C
ATOM 7 CD PRO A 1 -4.487 6.638 33.180 1.00 26.27 C
ATOM 8 H2 PRO A 1 -4.150 8.229 34.498 1.00 15.00 H
ATOM 9 H3 PRO A 1 -3.079 8.144 33.239 1.00 15.00 H
ATOM 10 N GLN A 2 -0.281 6.475 35.087 1.00 28.29 N
ATOM 11 CA GLN A 2 1.115 6.384 34.643 1.00 26.47 C
ATOM 12 C GLN A 2 1.475 4.934 34.363 1.00 26.06 C
ATOM 13 O GLN A 2 1.525 4.091 35.247 1.00 26.49 O
ATOM 14 CB GLN A 2 2.088 6.929 35.709 1.00 28.28 C
ATOM 15 CG GLN A 2 3.547 6.763 35.234 1.00 33.61 C
ATOM 16 CD GLN A 2 4.535 7.615 36.004 1.00 36.82 C
ATOM 17 OE1 GLN A 2 4.636 8.815 35.868 1.00 38.65 O
ATOM 18 NE2 GLN A 2 5.280 6.979 36.876 1.00 39.02 N
ATOM 19 H GLN A 2 -0.523 6.029 35.947 1.00 15.00 H
ATOM 20 HE21 GLN A 2 5.871 7.566 37.432 1.00 0.00 H
ATOM 21 HE22 GLN A 2 5.318 5.990 36.943 1.00 0.00 H
ATOM 22 N ILE A 3 1.698 4.657 33.095 1.00 23.44 N
ATOM 23 CA ILE A 3 2.009 3.268 32.738 1.00 20.83 C
ATOM 24 C ILE A 3 3.505 3.043 32.515 1.00 20.66 C
ATOM 25 O ILE A 3 4.218 3.727 31.790 1.00 19.79 O
ATOM 26 CB ILE A 3 1.177 2.900 31.499 1.00 21.44 C
ATOM 27 CG1 ILE A 3 -0.303 3.139 31.829 1.00 24.58 C
ATOM 28 CG2 ILE A 3 1.380 1.449 31.026 1.00 19.03 C
ATOM 29 CD1 ILE A 3 -1.243 2.982 30.637 1.00 29.25 C
ATOM 30 H ILE A 3 1.698 5.397 32.414 1.00 15.00 H
ATOM 31 N THR A 4 3.992 2.040 33.209 1.00 18.69 N
ATOM 32 CA THR A 4 5.380 1.639 32.956 1.00 17.49 C
ATOM 33 C THR A 4 5.462 0.593 31.843 1.00 18.07 C
ATOM 34 O THR A 4 4.482 0.047 31.361 1.00 18.93 O
ATOM 35 CB THR A 4 6.020 1.070 34.240 1.00 17.65 C
ATOM 36 OG1 THR A 4 5.281 -0.065 34.690 1.00 16.37 O
ATOM 37 CG2 THR A 4 6.081 2.112 35.360 1.00 17.72 C
ATOM 38 H THR A 4 3.372 1.504 33.786 1.00 15.00 H
ATOM 39 HG1 THR A 4 4.407 0.202 34.999 1.00 15.00 H
ATOM 40 N LEU A 5 6.664 0.337 31.403 1.00 16.85 N
ATOM 41 CA LEU A 5 6.764 -0.488 30.197 1.00 16.82 C
ATOM 42 C LEU A 5 7.419 -1.847 30.384 1.00 18.37 C
ATOM 43 O LEU A 5 7.907 -2.489 29.463 1.00 17.51 O
ATOM 44 CB LEU A 5 7.498 0.365 29.142 1.00 16.31 C
ATOM 45 CG LEU A 5 6.723 1.650 28.814 1.00 14.76 C
ATOM 46 CD1 LEU A 5 7.608 2.610 28.037 1.00 16.19 C
ATOM 47 CD2 LEU A 5 5.442 1.327 28.053 1.00 17.31 C
ATOM 48 H LEU A 5 7.466 0.768 31.819 1.00 15.00 H
ATOM 49 N TRP A 6 7.406 -2.307 31.638 1.00 17.85 N
ATOM 50 CA TRP A 6 7.944 -3.639 31.884 1.00 17.67 C
ATOM 51 C TRP A 6 7.106 -4.699 31.243 1.00 19.61 C
ATOM 52 O TRP A 6 7.592 -5.708 30.780 1.00 22.70 O
ATOM 53 CB TRP A 6 8.048 -3.909 33.405 1.00 20.76 C
ATOM 54 CG TRP A 6 8.908 -2.869 34.112 1.00 20.29 C
ATOM 55 CD1 TRP A 6 8.439 -1.741 34.823 1.00 24.48 C
ATOM 56 CD2 TRP A 6 10.311 -2.758 34.158 1.00 20.08 C
ATOM 57 NE1 TRP A 6 9.442 -0.935 35.298 1.00 23.47 N
ATOM 58 CE2 TRP A 6 10.619 -1.515 34.915 1.00 18.94 C
ATOM 59 CE3 TRP A 6 11.356 -3.535 33.644 1.00 20.78 C
ATOM 60 CZ2 TRP A 6 11.950 -1.128 35.112 1.00 20.96 C
ATOM 61 CZ3 TRP A 6 12.673 -3.108 33.870 1.00 24.13 C
ATOM 62 CH2 TRP A 6 12.967 -1.928 34.588 1.00 24.50 C
ATOM 63 H TRP A 6 6.920 -1.791 32.344 1.00 15.00 H
ATOM 64 HE1 TRP A 6 9.339 -0.085 35.779 1.00 15.00 H
ATOM 65 N GLN A 7 5.814 -4.432 31.151 1.00 18.16 N
ATOM 66 CA GLN A 7 4.962 -5.251 30.280 1.00 20.97 C
ATOM 67 C GLN A 7 4.435 -4.518 29.057 1.00 21.12 C
ATOM 68 O GLN A 7 4.388 -3.300 29.056 1.00 23.42 O
ATOM 69 CB GLN A 7 3.716 -5.586 31.013 1.00 24.95 C
ATOM 70 CG GLN A 7 3.979 -6.416 32.242 1.00 39.22 C
ATOM 71 CD GLN A 7 2.813 -6.087 33.129 1.00 47.01 C
ATOM 72 OE1 GLN A 7 2.794 -5.111 33.858 1.00 53.83 O
ATOM 73 NE2 GLN A 7 1.778 -6.891 33.022 1.00 49.27 N
ATOM 74 H GLN A 7 5.457 -3.641 31.653 1.00 15.00 H
ATOM 75 HE21 GLN A 7 0.993 -6.672 33.591 1.00 0.00 H
ATOM 76 HE22 GLN A 7 1.763 -7.662 32.395 1.00 0.00 H
ATOM 77 N ARG A 8 3.965 -5.244 28.032 1.00 18.84 N
ATOM 78 CA ARG A 8 3.237 -4.538 26.954 1.00 17.03 C
ATOM 79 C ARG A 8 2.107 -3.611 27.461 1.00 18.95 C
ATOM 80 O ARG A 8 1.327 -4.020 28.310 1.00 19.89 O
ATOM 81 CB ARG A 8 2.617 -5.576 26.013 1.00 15.38 C
ATOM 82 CG ARG A 8 3.669 -6.348 25.258 1.00 15.83 C
ATOM 83 CD ARG A 8 3.094 -7.303 24.238 1.00 21.27 C
ATOM 84 NE ARG A 8 4.178 -8.074 23.616 1.00 25.46 N
ATOM 85 CZ ARG A 8 4.020 -9.380 23.294 1.00 28.12 C
ATOM 86 NH1 ARG A 8 2.873 -10.011 23.547 1.00 30.67 N
ATOM 87 NH2 ARG A 8 4.997 -10.063 22.689 1.00 28.11 N
ATOM 88 H ARG A 8 4.014 -6.245 28.076 1.00 15.00 H
ATOM 89 HE ARG A 8 5.038 -7.614 23.396 1.00 15.00 H
ATOM 90 HH11 ARG A 8 2.128 -9.514 23.988 1.00 0.00 H
ATOM 91 HH12 ARG A 8 2.741 -10.980 23.303 1.00 0.00 H
ATOM 92 HH21 ARG A 8 5.855 -9.598 22.493 1.00 0.00 H
ATOM 93 HH22 ARG A 8 4.900 -11.027 22.411 1.00 0.00 H
ATOM 94 N PRO A 9 2.056 -2.370 26.976 1.00 17.32 N
ATOM 95 CA PRO A 9 1.006 -1.434 27.428 1.00 18.82 C
ATOM 96 C PRO A 9 -0.378 -1.638 26.809 1.00 18.58 C
ATOM 97 O PRO A 9 -0.944 -0.863 26.050 1.00 18.11 O
ATOM 98 CB PRO A 9 1.630 -0.070 27.131 1.00 15.85 C
ATOM 99 CG PRO A 9 2.482 -0.344 25.906 1.00 17.78 C
ATOM 100 CD PRO A 9 3.066 -1.731 26.150 1.00 17.38 C
ATOM 101 N LEU A 10 -0.916 -2.776 27.211 1.00 19.09 N
ATOM 102 CA LEU A 10 -2.258 -3.160 26.791 1.00 21.12 C
ATOM 103 C LEU A 10 -3.359 -2.644 27.658 1.00 23.07 C
ATOM 104 O LEU A 10 -3.399 -2.871 28.850 1.00 27.33 O
ATOM 105 CB LEU A 10 -2.404 -4.661 26.825 1.00 22.81 C
ATOM 106 CG LEU A 10 -1.502 -5.363 25.819 1.00 25.56 C
ATOM 107 CD1 LEU A 10 -1.230 -6.815 26.263 1.00 26.30 C
ATOM 108 CD2 LEU A 10 -2.086 -5.226 24.413 1.00 23.40 C
ATOM 109 H LEU A 10 -0.398 -3.322 27.873 1.00 15.00 H
ATOM 110 N VAL A 11 -4.289 -1.964 27.036 1.00 21.27 N
ATOM 111 CA VAL A 11 -5.448 -1.541 27.813 1.00 19.07 C
ATOM 112 C VAL A 11 -6.773 -2.027 27.239 1.00 19.15 C
ATOM 113 O VAL A 11 -6.843 -2.622 26.185 1.00 19.07 O
ATOM 114 CB VAL A 11 -5.432 -0.007 27.908 1.00 20.07 C
ATOM 115 CG1 VAL A 11 -4.178 0.504 28.638 1.00 20.11 C
ATOM 116 CG2 VAL A 11 -5.544 0.636 26.515 1.00 20.26 C
ATOM 117 H VAL A 11 -4.178 -1.770 26.057 1.00 15.00 H
ATOM 118 N THR A 12 -7.842 -1.746 27.963 1.00 19.73 N
ATOM 119 CA THR A 12 -9.200 -2.011 27.447 1.00 21.11 C
ATOM 120 C THR A 12 -9.806 -0.800 26.774 1.00 20.90 C
ATOM 121 O THR A 12 -9.835 0.324 27.254 1.00 20.50 O
ATOM 122 CB THR A 12 -10.186 -2.470 28.561 1.00 24.28 C
ATOM 123 OG1 THR A 12 -9.694 -3.683 29.154 1.00 29.75 O
ATOM 124 CG2 THR A 12 -11.625 -2.751 28.079 1.00 24.26 C
ATOM 125 H THR A 12 -7.711 -1.263 28.827 1.00 15.00 H
ATOM 126 HG1 THR A 12 -9.032 -3.466 29.817 1.00 15.00 H
ATOM 127 N ILE A 13 -10.296 -1.055 25.590 1.00 20.38 N
ATOM 128 CA ILE A 13 -11.019 0.007 24.889 1.00 21.25 C
ATOM 129 C ILE A 13 -12.488 -0.372 24.715 1.00 23.00 C
ATOM 130 O ILE A 13 -12.860 -1.539 24.701 1.00 22.85 O
ATOM 131 CB ILE A 13 -10.347 0.293 23.511 1.00 21.10 C
ATOM 132 CG1 ILE A 13 -10.431 -0.887 22.525 1.00 22.00 C
ATOM 133 CG2 ILE A 13 -8.879 0.729 23.714 1.00 19.06 C
ATOM 134 CD1 ILE A 13 -9.880 -0.636 21.119 1.00 21.87 C
ATOM 135 H ILE A 13 -10.234 -1.989 25.228 1.00 15.00 H
ATOM 136 N LYS A 14 -13.311 0.642 24.570 1.00 23.47 N
ATOM 137 CA LYS A 14 -14.649 0.298 24.078 1.00 25.75 C
ATOM 138 C LYS A 14 -14.990 0.935 22.753 1.00 26.25 C
ATOM 139 O LYS A 14 -14.871 2.134 22.516 1.00 25.77 O
ATOM 140 CB LYS A 14 -15.755 0.642 25.081 1.00 29.28 C
ATOM 141 CG LYS A 14 -17.142 0.166 24.612 1.00 34.08 C
ATOM 142 CD LYS A 14 -18.308 0.698 25.439 1.00 40.14 C
ATOM 143 CE LYS A 14 -18.330 0.313 26.923 1.00 44.70 C
ATOM 144 NZ LYS A 14 -19.603 0.770 27.537 1.00 47.69 N
ATOM 145 H LYS A 14 -12.979 1.577 24.711 1.00 0.00 H
ATOM 146 HZ1 LYS A 14 -19.697 1.798 27.409 1.00 0.00 H
ATOM 147 HZ2 LYS A 14 -20.403 0.289 27.078 1.00 0.00 H
ATOM 148 HZ3 LYS A 14 -19.599 0.544 28.552 1.00 0.00 H
ATOM 149 N ILE A 15 -15.420 0.054 21.873 1.00 28.16 N
ATOM 150 CA ILE A 15 -15.729 0.480 20.518 1.00 27.74 C
ATOM 151 C ILE A 15 -16.903 -0.302 19.966 1.00 30.77 C
ATOM 152 O ILE A 15 -17.018 -1.495 20.184 1.00 29.75 O
ATOM 153 CB ILE A 15 -14.482 0.324 19.614 1.00 28.32 C
ATOM 154 CG1 ILE A 15 -14.787 0.904 18.214 1.00 28.69 C
ATOM 155 CG2 ILE A 15 -13.959 -1.129 19.557 1.00 24.05 C
ATOM 156 CD1 ILE A 15 -13.600 1.205 17.307 1.00 30.55 C
ATOM 157 H ILE A 15 -15.499 -0.908 22.159 1.00 15.00 H
ATOM 158 N GLY A 16 -17.816 0.396 19.280 1.00 32.95 N
ATOM 159 CA GLY A 16 -19.007 -0.294 18.753 1.00 35.00 C
ATOM 160 C GLY A 16 -19.931 -0.934 19.800 1.00 35.90 C
ATOM 161 O GLY A 16 -20.750 -1.786 19.521 1.00 38.10 O
ATOM 162 H GLY A 16 -17.678 1.373 19.096 1.00 15.00 H
ATOM 163 N GLY A 17 -19.753 -0.524 21.060 1.00 37.13 N
ATOM 164 CA GLY A 17 -20.368 -1.291 22.159 1.00 36.08 C
ATOM 165 C GLY A 17 -19.637 -2.569 22.580 1.00 37.27 C
ATOM 166 O GLY A 17 -20.000 -3.297 23.484 1.00 39.17 O
ATOM 167 H GLY A 17 -19.156 0.256 21.243 1.00 15.00 H
ATOM 168 N GLN A 18 -18.553 -2.851 21.896 1.00 36.22 N
ATOM 169 CA GLN A 18 -17.706 -3.957 22.319 1.00 36.25 C
ATOM 170 C GLN A 18 -16.500 -3.557 23.167 1.00 32.62 C
ATOM 171 O GLN A 18 -15.882 -2.510 23.041 1.00 30.71 O
ATOM 172 CB GLN A 18 -17.210 -4.703 21.058 1.00 43.17 C
ATOM 173 CG GLN A 18 -18.214 -5.632 20.341 1.00 53.19 C
ATOM 174 CD GLN A 18 -18.417 -6.960 21.085 1.00 59.72 C
ATOM 175 OE1 GLN A 18 -17.991 -8.049 20.710 1.00 63.24 O
ATOM 176 NE2 GLN A 18 -19.071 -6.879 22.228 1.00 62.41 N
ATOM 177 H GLN A 18 -18.261 -2.263 21.142 1.00 15.00 H
ATOM 178 HE21 GLN A 18 -18.881 -7.537 22.957 1.00 0.00 H
ATOM 179 HE22 GLN A 18 -19.659 -6.099 22.440 1.00 0.00 H
ATOM 180 N LEU A 19 -16.170 -4.481 24.037 1.00 27.59 N
ATOM 181 CA LEU A 19 -14.924 -4.345 24.793 1.00 27.59 C
ATOM 182 C LEU A 19 -13.715 -5.055 24.153 1.00 26.57 C
ATOM 183 O LEU A 19 -13.770 -6.227 23.817 1.00 29.44 O
ATOM 184 CB LEU A 19 -15.208 -4.924 26.192 1.00 27.95 C
ATOM 185 CG LEU A 19 -15.140 -3.972 27.385 1.00 31.29 C
ATOM 186 CD1 LEU A 19 -15.994 -2.711 27.240 1.00 26.44 C
ATOM 187 CD2 LEU A 19 -15.470 -4.766 28.645 1.00 30.76 C
ATOM 188 H LEU A 19 -16.734 -5.302 24.108 1.00 15.00 H
ATOM 189 N LYS A 20 -12.618 -4.341 23.976 1.00 23.16 N
ATOM 190 CA LYS A 20 -11.430 -5.031 23.457 1.00 21.60 C
ATOM 191 C LYS A 20 -10.176 -4.633 24.156 1.00 19.25 C
ATOM 192 O LYS A 20 -10.139 -3.669 24.886 1.00 22.22 O
ATOM 193 CB LYS A 20 -11.186 -4.707 21.986 1.00 22.70 C
ATOM 194 CG LYS A 20 -12.259 -5.310 21.106 1.00 28.02 C
ATOM 195 CD LYS A 20 -12.138 -4.943 19.637 1.00 34.55 C
ATOM 196 CE LYS A 20 -13.158 -5.770 18.848 1.00 38.32 C
ATOM 197 NZ LYS A 20 -12.856 -7.215 18.931 1.00 38.41 N
ATOM 198 H LYS A 20 -12.623 -3.365 24.213 1.00 15.00 H
ATOM 199 HZ1 LYS A 20 -12.818 -7.513 19.927 1.00 15.00 H
ATOM 200 HZ2 LYS A 20 -13.599 -7.751 18.438 1.00 15.00 H
ATOM 201 HZ3 LYS A 20 -11.940 -7.401 18.477 1.00 15.00 H
ATOM 202 N GLU A 21 -9.132 -5.370 23.912 1.00 17.94 N
ATOM 203 CA GLU A 21 -7.836 -4.921 24.417 1.00 21.77 C
ATOM 204 C GLU A 21 -6.957 -4.348 23.351 1.00 19.58 C
ATOM 205 O GLU A 21 -6.912 -4.846 22.246 1.00 21.01 O
ATOM 206 CB GLU A 21 -7.007 -6.062 24.949 1.00 24.02 C
ATOM 207 CG GLU A 21 -7.542 -6.489 26.287 1.00 39.23 C
ATOM 208 CD GLU A 21 -6.360 -6.839 27.146 1.00 47.75 C
ATOM 209 OE1 GLU A 21 -5.430 -7.481 26.621 1.00 50.96 O
ATOM 210 OE2 GLU A 21 -6.375 -6.451 28.329 1.00 51.74 O
ATOM 211 H GLU A 21 -9.241 -6.199 23.359 1.00 15.00 H
ATOM 212 N ALA A 22 -6.236 -3.315 23.683 1.00 17.57 N
ATOM 213 CA ALA A 22 -5.373 -2.754 22.654 1.00 16.56 C
ATOM 214 C ALA A 22 -4.042 -2.250 23.152 1.00 17.33 C
ATOM 215 O ALA A 22 -3.870 -1.927 24.321 1.00 18.74 O
ATOM 216 CB ALA A 22 -6.067 -1.617 21.905 1.00 14.48 C
ATOM 217 H ALA A 22 -6.330 -2.923 24.600 1.00 15.00 H
ATOM 218 N LEU A 23 -3.094 -2.188 22.228 1.00 16.02 N
ATOM 219 CA LEU A 23 -1.748 -1.723 22.595 1.00 15.62 C
ATOM 220 C LEU A 23 -1.576 -0.232 22.417 1.00 15.90 C
ATOM 221 O LEU A 23 -1.807 0.306 21.343 1.00 15.71 O
ATOM 222 CB LEU A 23 -0.761 -2.451 21.681 1.00 14.95 C
ATOM 223 CG LEU A 23 0.752 -2.261 21.844 1.00 17.32 C
ATOM 224 CD1 LEU A 23 1.302 -3.007 23.067 1.00 16.53 C
ATOM 225 CD2 LEU A 23 1.438 -2.825 20.586 1.00 18.55 C
ATOM 226 H LEU A 23 -3.311 -2.454 21.285 1.00 15.00 H
ATOM 227 N LEU A 24 -1.154 0.431 23.487 1.00 14.38 N
ATOM 228 CA LEU A 24 -0.826 1.848 23.297 1.00 15.18 C
ATOM 229 C LEU A 24 0.534 2.084 22.622 1.00 14.34 C
ATOM 230 O LEU A 24 1.599 1.787 23.150 1.00 13.20 O
ATOM 231 CB LEU A 24 -0.862 2.546 24.669 1.00 18.16 C
ATOM 232 CG LEU A 24 -2.183 2.389 25.423 1.00 18.31 C
ATOM 233 CD1 LEU A 24 -2.079 3.087 26.786 1.00 21.66 C
ATOM 234 CD2 LEU A 24 -3.309 2.986 24.608 1.00 19.29 C
ATOM 235 H LEU A 24 -1.060 -0.040 24.370 1.00 15.00 H
ATOM 236 N ASP A 25 0.475 2.580 21.393 1.00 12.60 N
ATOM 237 CA ASP A 25 1.676 2.485 20.575 1.00 12.76 C
ATOM 238 C ASP A 25 2.184 3.803 20.035 1.00 15.30 C
ATOM 239 O ASP A 25 1.771 4.298 19.004 1.00 14.22 O
ATOM 240 CB ASP A 25 1.337 1.515 19.445 1.00 15.16 C
ATOM 241 CG ASP A 25 2.511 1.076 18.571 1.00 18.23 C
ATOM 242 OD1 ASP A 25 3.667 1.441 18.783 1.00 15.70 O
ATOM 243 OD2 ASP A 25 2.231 0.324 17.658 1.00 19.69 O
ATOM 244 H ASP A 25 -0.405 2.860 20.992 1.00 15.00 H
ATOM 245 N THR A 26 3.176 4.363 20.735 1.00 13.74 N
ATOM 246 CA THR A 26 3.747 5.618 20.243 1.00 13.76 C
ATOM 247 C THR A 26 4.504 5.535 18.906 1.00 14.95 C
ATOM 248 O THR A 26 4.746 6.505 18.218 1.00 14.86 O
ATOM 249 CB THR A 26 4.662 6.215 21.294 1.00 12.03 C
ATOM 250 OG1 THR A 26 5.746 5.308 21.512 1.00 12.58 O
ATOM 251 CG2 THR A 26 3.900 6.448 22.605 1.00 10.10 C
ATOM 252 H THR A 26 3.463 3.957 21.607 1.00 15.00 H
ATOM 253 HG1 THR A 26 6.582 5.775 21.348 1.00 15.00 H
ATOM 254 N GLY A 27 4.845 4.315 18.521 1.00 14.85 N
ATOM 255 CA GLY A 27 5.491 4.116 17.214 1.00 14.02 C
ATOM 256 C GLY A 27 4.585 3.876 16.037 1.00 15.06 C
ATOM 257 O GLY A 27 5.010 3.549 14.946 1.00 16.22 O
ATOM 258 H GLY A 27 4.621 3.558 19.126 1.00 15.00 H
ATOM 259 N ALA A 28 3.297 4.039 16.279 1.00 13.90 N
ATOM 260 CA ALA A 28 2.337 3.976 15.182 1.00 15.29 C
ATOM 261 C ALA A 28 1.673 5.330 14.889 1.00 15.47 C
ATOM 262 O ALA A 28 1.155 6.011 15.767 1.00 15.23 O
ATOM 263 CB ALA A 28 1.223 2.960 15.460 1.00 12.70 C
ATOM 264 H ALA A 28 2.981 4.272 17.201 1.00 15.00 H
ATOM 265 N ASP A 29 1.659 5.708 13.610 1.00 13.14 N
ATOM 266 CA ASP A 29 0.883 6.915 13.298 1.00 12.62 C
ATOM 267 C ASP A 29 -0.636 6.738 13.375 1.00 13.03 C
ATOM 268 O ASP A 29 -1.388 7.623 13.728 1.00 15.20 O
ATOM 269 CB ASP A 29 1.129 7.374 11.866 1.00 14.81 C
ATOM 270 CG ASP A 29 2.518 7.902 11.605 1.00 18.38 C
ATOM 271 OD1 ASP A 29 3.383 7.845 12.461 1.00 17.61 O
ATOM 272 OD2 ASP A 29 2.719 8.388 10.506 1.00 21.07 O
ATOM 273 H ASP A 29 2.193 5.189 12.934 1.00 15.00 H
ATOM 274 N ASP A 30 -1.072 5.541 13.018 1.00 13.43 N
ATOM 275 CA ASP A 30 -2.505 5.278 12.941 1.00 14.59 C
ATOM 276 C ASP A 30 -2.968 4.147 13.849 1.00 14.15 C
ATOM 277 O ASP A 30 -2.221 3.366 14.397 1.00 15.25 O
ATOM 278 CB ASP A 30 -2.862 4.866 11.505 1.00 17.85 C
ATOM 279 CG ASP A 30 -2.384 5.891 10.479 1.00 21.13 C
ATOM 280 OD1 ASP A 30 -2.964 6.959 10.399 1.00 23.45 O
ATOM 281 OD2 ASP A 30 -1.409 5.626 9.781 1.00 26.19 O
ATOM 282 H ASP A 30 -0.403 4.839 12.783 1.00 15.00 H
ATOM 283 N THR A 31 -4.266 4.108 13.987 1.00 14.92 N
ATOM 284 CA THR A 31 -4.988 3.097 14.770 1.00 14.80 C
ATOM 285 C THR A 31 -5.549 2.027 13.853 1.00 15.76 C
ATOM 286 O THR A 31 -6.324 2.260 12.928 1.00 16.17 O
ATOM 287 CB THR A 31 -6.150 3.756 15.611 1.00 13.09 C
ATOM 288 OG1 THR A 31 -5.577 4.717 16.518 1.00 15.14 O
ATOM 289 CG2 THR A 31 -7.026 2.778 16.399 1.00 9.96 C
ATOM 290 H THR A 31 -4.785 4.800 13.481 1.00 15.00 H
ATOM 291 HG1 THR A 31 -5.220 5.466 16.018 1.00 15.00 H
ATOM 292 N VAL A 32 -5.060 0.831 14.167 1.00 17.42 N
ATOM 293 CA VAL A 32 -5.405 -0.408 13.468 1.00 17.43 C
ATOM 294 C VAL A 32 -6.015 -1.474 14.380 1.00 17.60 C
ATOM 295 O VAL A 32 -5.389 -2.001 15.285 1.00 18.16 O
ATOM 296 CB VAL A 32 -4.176 -1.018 12.784 1.00 16.74 C
ATOM 297 CG1 VAL A 32 -4.641 -1.997 11.694 1.00 18.49 C
ATOM 298 CG2 VAL A 32 -3.322 0.041 12.143 1.00 20.85 C
ATOM 299 H VAL A 32 -4.453 0.785 14.963 1.00 15.00 H
ATOM 300 N LEU A 33 -7.275 -1.777 14.115 1.00 16.37 N
ATOM 301 CA LEU A 33 -7.931 -2.868 14.830 1.00 16.93 C
ATOM 302 C LEU A 33 -8.152 -4.146 14.042 1.00 17.32 C
ATOM 303 O LEU A 33 -8.262 -4.202 12.828 1.00 15.96 O
ATOM 304 CB LEU A 33 -9.268 -2.378 15.338 1.00 17.15 C
ATOM 305 CG LEU A 33 -9.104 -1.085 16.123 1.00 19.31 C
ATOM 306 CD1 LEU A 33 -10.501 -0.645 16.461 1.00 20.23 C
ATOM 307 CD2 LEU A 33 -8.207 -1.200 17.373 1.00 20.16 C
ATOM 308 H LEU A 33 -7.745 -1.300 13.371 1.00 15.00 H
ATOM 309 N GLU A 34 -8.213 -5.222 14.780 1.00 18.22 N
ATOM 310 CA GLU A 34 -8.632 -6.450 14.122 1.00 24.06 C
ATOM 311 C GLU A 34 -9.985 -6.397 13.410 1.00 24.12 C
ATOM 312 O GLU A 34 -10.887 -5.628 13.695 1.00 19.86 O
ATOM 313 CB GLU A 34 -8.625 -7.586 15.160 1.00 29.24 C
ATOM 314 CG GLU A 34 -9.823 -7.606 16.152 1.00 38.60 C
ATOM 315 CD GLU A 34 -9.409 -8.198 17.507 1.00 43.19 C
ATOM 316 OE1 GLU A 34 -8.313 -8.783 17.621 1.00 44.63 O
ATOM 317 OE2 GLU A 34 -10.180 -8.030 18.460 1.00 43.27 O
ATOM 318 H GLU A 34 -8.062 -5.160 15.771 1.00 15.00 H
ATOM 319 N GLU A 35 -10.089 -7.276 12.432 1.00 27.02 N
ATOM 320 CA GLU A 35 -11.366 -7.441 11.741 1.00 32.40 C
ATOM 321 C GLU A 35 -12.638 -7.437 12.593 1.00 31.82 C
ATOM 322 O GLU A 35 -12.918 -8.279 13.414 1.00 33.89 O
ATOM 323 CB GLU A 35 -11.328 -8.746 10.948 1.00 37.09 C
ATOM 324 CG GLU A 35 -10.219 -8.883 9.893 1.00 46.83 C
ATOM 325 CD GLU A 35 -10.526 -8.078 8.653 1.00 52.89 C
ATOM 326 OE1 GLU A 35 -11.627 -7.518 8.545 1.00 55.39 O
ATOM 327 OE2 GLU A 35 -9.650 -8.030 7.787 1.00 56.66 O
ATOM 328 H GLU A 35 -9.295 -7.852 12.223 1.00 15.00 H
ATOM 329 N MET A 36 -13.434 -6.434 12.347 1.00 32.69 N
ATOM 330 CA MET A 36 -14.773 -6.376 12.924 1.00 32.66 C
ATOM 331 C MET A 36 -15.732 -5.585 12.039 1.00 35.24 C
ATOM 332 O MET A 36 -15.372 -4.845 11.114 1.00 34.96 O
ATOM 333 CB MET A 36 -14.683 -5.720 14.313 1.00 32.39 C
ATOM 334 CG MET A 36 -14.279 -4.244 14.280 1.00 34.33 C
ATOM 335 SD MET A 36 -13.897 -3.543 15.895 1.00 35.03 S
ATOM 336 CE MET A 36 -15.532 -3.781 16.608 1.00 38.56 C
ATOM 337 H MET A 36 -12.999 -5.636 11.944 1.00 15.00 H
ATOM 338 N SER A 37 -17.003 -5.778 12.323 1.00 36.16 N
ATOM 339 CA SER A 37 -17.987 -4.927 11.637 1.00 36.42 C
ATOM 340 C SER A 37 -18.354 -3.717 12.435 1.00 35.67 C
ATOM 341 O SER A 37 -18.817 -3.747 13.554 1.00 36.42 O
ATOM 342 CB SER A 37 -19.277 -5.681 11.305 1.00 37.87 C
ATOM 343 OG SER A 37 -19.613 -6.593 12.366 1.00 43.60 O
ATOM 344 H SER A 37 -17.304 -6.398 13.049 1.00 0.00 H
ATOM 345 HG SER A 37 -20.406 -6.292 12.835 1.00 0.00 H
ATOM 346 N LEU A 38 -18.069 -2.611 11.813 1.00 35.20 N
ATOM 347 CA LEU A 38 -18.454 -1.365 12.459 1.00 35.46 C
ATOM 348 C LEU A 38 -19.546 -0.760 11.611 1.00 36.89 C
ATOM 349 O LEU A 38 -19.567 -0.946 10.400 1.00 37.01 O
ATOM 350 CB LEU A 38 -17.228 -0.425 12.515 1.00 32.66 C
ATOM 351 CG LEU A 38 -16.160 -0.787 13.555 1.00 31.46 C
ATOM 352 CD1 LEU A 38 -14.934 0.113 13.417 1.00 26.05 C
ATOM 353 CD2 LEU A 38 -16.748 -0.704 14.966 1.00 28.65 C
ATOM 354 H LEU A 38 -17.695 -2.606 10.890 1.00 15.00 H
ATOM 355 N PRO A 39 -20.471 -0.057 12.243 1.00 38.86 N
ATOM 356 CA PRO A 39 -21.420 0.655 11.391 1.00 41.54 C
ATOM 357 C PRO A 39 -20.805 1.897 10.688 1.00 41.71 C
ATOM 358 O PRO A 39 -19.957 2.633 11.166 1.00 43.42 O
ATOM 359 CB PRO A 39 -22.564 0.883 12.401 1.00 41.58 C
ATOM 360 CG PRO A 39 -21.868 1.085 13.748 1.00 41.49 C
ATOM 361 CD PRO A 39 -20.697 0.112 13.675 1.00 40.05 C
ATOM 362 N GLY A 40 -21.255 2.105 9.465 1.00 40.87 N
ATOM 363 CA GLY A 40 -20.631 3.191 8.715 1.00 38.39 C
ATOM 364 C GLY A 40 -20.157 2.804 7.333 1.00 37.72 C
ATOM 365 O GLY A 40 -19.980 1.662 6.949 1.00 34.49 O
ATOM 366 H GLY A 40 -21.920 1.472 9.078 1.00 15.00 H
ATOM 367 N ARG A 41 -19.961 3.848 6.567 1.00 38.11 N
ATOM 368 CA ARG A 41 -19.310 3.544 5.297 1.00 41.68 C
ATOM 369 C ARG A 41 -17.795 3.437 5.468 1.00 39.34 C
ATOM 370 O ARG A 41 -17.238 4.045 6.369 1.00 40.11 O
ATOM 371 CB ARG A 41 -19.600 4.676 4.307 1.00 48.37 C
ATOM 372 CG ARG A 41 -21.080 4.957 3.978 1.00 58.44 C
ATOM 373 CD ARG A 41 -21.786 5.971 4.897 1.00 65.88 C
ATOM 374 NE ARG A 41 -22.892 5.357 5.643 1.00 72.49 N
ATOM 375 CZ ARG A 41 -22.997 5.516 6.970 1.00 76.21 C
ATOM 376 NH1 ARG A 41 -22.095 6.267 7.639 1.00 77.52 N
ATOM 377 NH2 ARG A 41 -24.018 4.891 7.580 1.00 77.49 N
ATOM 378 H ARG A 41 -20.004 4.770 6.937 1.00 0.00 H
ATOM 379 HE ARG A 41 -23.569 4.808 5.153 1.00 0.00 H
ATOM 380 HH11 ARG A 41 -21.338 6.676 7.128 1.00 0.00 H
ATOM 381 HH12 ARG A 41 -22.149 6.444 8.626 1.00 0.00 H
ATOM 382 HH21 ARG A 41 -24.668 4.397 7.004 1.00 0.00 H
ATOM 383 HH22 ARG A 41 -24.163 4.871 8.574 1.00 0.00 H
ATOM 384 N TRP A 42 -17.132 2.687 4.606 1.00 35.94 N
ATOM 385 CA TRP A 42 -15.667 2.666 4.705 1.00 32.22 C
ATOM 386 C TRP A 42 -14.941 2.713 3.368 1.00 32.38 C
ATOM 387 O TRP A 42 -15.490 2.410 2.320 1.00 34.44 O
ATOM 388 CB TRP A 42 -15.200 1.443 5.524 1.00 29.79 C
ATOM 389 CG TRP A 42 -15.587 0.161 4.827 1.00 28.83 C
ATOM 390 CD1 TRP A 42 -16.777 -0.547 5.032 1.00 28.82 C
ATOM 391 CD2 TRP A 42 -14.891 -0.570 3.848 1.00 26.94 C
ATOM 392 NE1 TRP A 42 -16.871 -1.661 4.268 1.00 27.77 N
ATOM 393 CE2 TRP A 42 -15.739 -1.739 3.513 1.00 27.44 C
ATOM 394 CE3 TRP A 42 -13.665 -0.412 3.191 1.00 30.38 C
ATOM 395 CZ2 TRP A 42 -15.301 -2.663 2.550 1.00 27.39 C
ATOM 396 CZ3 TRP A 42 -13.249 -1.355 2.228 1.00 30.86 C
ATOM 397 CH2 TRP A 42 -14.059 -2.464 1.920 1.00 31.62 C
ATOM 398 H TRP A 42 -17.616 2.133 3.934 1.00 15.00 H
ATOM 399 HE1 TRP A 42 -17.619 -2.295 4.278 1.00 15.00 H
ATOM 400 N LYS A 43 -13.673 3.075 3.424 1.00 31.27 N
ATOM 401 CA LYS A 43 -12.873 3.050 2.179 1.00 31.37 C
ATOM 402 C LYS A 43 -11.705 2.114 2.278 1.00 27.96 C
ATOM 403 O LYS A 43 -11.090 2.018 3.324 1.00 24.17 O
ATOM 404 CB LYS A 43 -12.225 4.398 1.868 1.00 34.98 C
ATOM 405 CG LYS A 43 -13.252 5.522 1.867 1.00 45.60 C
ATOM 406 CD LYS A 43 -12.911 6.622 2.892 1.00 50.00 C
ATOM 407 CE LYS A 43 -14.165 7.431 3.239 1.00 54.08 C
ATOM 408 NZ LYS A 43 -13.734 8.661 3.912 1.00 55.79 N
ATOM 409 H LYS A 43 -13.294 3.345 4.312 1.00 15.00 H
ATOM 410 HZ1 LYS A 43 -13.052 9.161 3.306 1.00 15.00 H
ATOM 411 HZ2 LYS A 43 -14.557 9.273 4.083 1.00 15.00 H
ATOM 412 HZ3 LYS A 43 -13.281 8.422 4.816 1.00 15.00 H
ATOM 413 N PRO A 44 -11.397 1.438 1.177 1.00 26.46 N
ATOM 414 CA PRO A 44 -10.175 0.621 1.188 1.00 26.52 C
ATOM 415 C PRO A 44 -8.912 1.471 1.372 1.00 25.22 C
ATOM 416 O PRO A 44 -8.751 2.501 0.738 1.00 27.91 O
ATOM 417 CB PRO A 44 -10.178 0.013 -0.233 1.00 26.27 C
ATOM 418 CG PRO A 44 -11.588 0.166 -0.795 1.00 26.18 C
ATOM 419 CD PRO A 44 -12.098 1.425 -0.112 1.00 26.69 C
ATOM 420 N LYS A 45 -8.006 1.021 2.212 1.00 22.19 N
ATOM 421 CA LYS A 45 -6.709 1.678 2.287 1.00 19.92 C
ATOM 422 C LYS A 45 -5.579 0.687 2.411 1.00 19.37 C
ATOM 423 O LYS A 45 -5.791 -0.466 2.728 1.00 20.06 O
ATOM 424 CB LYS A 45 -6.719 2.573 3.515 1.00 24.14 C
ATOM 425 CG LYS A 45 -5.823 3.789 3.345 1.00 32.72 C
ATOM 426 CD LYS A 45 -5.680 4.576 4.645 1.00 39.30 C
ATOM 427 CE LYS A 45 -4.467 4.205 5.508 1.00 43.97 C
ATOM 428 NZ LYS A 45 -3.241 4.881 5.027 1.00 46.94 N
ATOM 429 H LYS A 45 -8.235 0.249 2.813 1.00 15.00 H
ATOM 430 HZ1 LYS A 45 -3.085 4.632 4.029 1.00 15.00 H
ATOM 431 HZ2 LYS A 45 -3.352 5.911 5.116 1.00 15.00 H
ATOM 432 HZ3 LYS A 45 -2.426 4.569 5.593 1.00 15.00 H
ATOM 433 N MET A 46 -4.365 1.146 2.187 1.00 19.78 N
ATOM 434 CA MET A 46 -3.195 0.332 2.550 1.00 23.88 C
ATOM 435 C MET A 46 -2.380 0.977 3.652 1.00 22.42 C
ATOM 436 O MET A 46 -2.183 2.180 3.656 1.00 22.70 O
ATOM 437 CB MET A 46 -2.148 0.233 1.436 1.00 26.24 C
ATOM 438 CG MET A 46 -2.672 -0.252 0.091 1.00 35.20 C
ATOM 439 SD MET A 46 -2.906 -2.009 0.093 1.00 42.53 S
ATOM 440 CE MET A 46 -1.157 -2.384 0.129 1.00 39.84 C
ATOM 441 H MET A 46 -4.257 2.075 1.843 1.00 15.00 H
ATOM 442 N ILE A 47 -1.888 0.157 4.568 1.00 21.26 N
ATOM 443 CA ILE A 47 -0.874 0.661 5.517 1.00 20.93 C
ATOM 444 C ILE A 47 0.253 -0.323 5.711 1.00 19.34 C
ATOM 445 O ILE A 47 0.118 -1.524 5.538 1.00 20.88 O
ATOM 446 CB ILE A 47 -1.407 1.007 6.914 1.00 23.38 C
ATOM 447 CG1 ILE A 47 -2.519 0.094 7.342 1.00 26.63 C
ATOM 448 CG2 ILE A 47 -1.837 2.453 7.112 1.00 25.99 C
ATOM 449 CD1 ILE A 47 -1.927 -0.968 8.237 1.00 26.52 C
ATOM 450 H ILE A 47 -2.173 -0.806 4.550 1.00 15.00 H
ATOM 451 N GLY A 48 1.383 0.242 6.036 1.00 16.51 N
ATOM 452 CA GLY A 48 2.583 -0.568 6.129 1.00 17.32 C
ATOM 453 C GLY A 48 3.273 -0.530 7.471 1.00 18.37 C
ATOM 454 O GLY A 48 3.063 0.316 8.330 1.00 17.37 O
ATOM 455 H GLY A 48 1.390 1.221 6.240 1.00 15.00 H
ATOM 456 N GLY A 49 4.144 -1.495 7.581 1.00 18.76 N
ATOM 457 CA GLY A 49 5.085 -1.483 8.698 1.00 19.95 C
ATOM 458 C GLY A 49 6.200 -2.487 8.475 1.00 21.05 C
ATOM 459 O GLY A 49 6.551 -2.813 7.353 1.00 21.58 O
ATOM 460 H GLY A 49 4.139 -2.226 6.893 1.00 15.00 H
ATOM 461 N ILE A 50 6.738 -3.048 9.544 1.00 20.56 N
ATOM 462 CA ILE A 50 7.680 -4.156 9.353 1.00 21.91 C
ATOM 463 C ILE A 50 7.004 -5.325 8.643 1.00 22.35 C
ATOM 464 O ILE A 50 5.877 -5.743 8.887 1.00 23.80 O
ATOM 465 CB ILE A 50 8.211 -4.613 10.722 1.00 21.88 C
ATOM 466 CG1 ILE A 50 9.085 -3.580 11.431 1.00 22.61 C
ATOM 467 CG2 ILE A 50 8.964 -5.940 10.648 1.00 23.95 C
ATOM 468 CD1 ILE A 50 10.508 -3.439 10.869 1.00 22.61 C
ATOM 469 H ILE A 50 6.398 -2.789 10.450 1.00 15.00 H
ATOM 470 N GLY A 51 7.739 -5.800 7.678 1.00 23.68 N
ATOM 471 CA GLY A 51 7.178 -6.931 6.943 1.00 23.00 C
ATOM 472 C GLY A 51 6.443 -6.590 5.675 1.00 23.90 C
ATOM 473 O GLY A 51 6.284 -7.419 4.802 1.00 26.78 O
ATOM 474 H GLY A 51 8.609 -5.368 7.441 1.00 15.00 H
ATOM 475 N GLY A 52 5.992 -5.341 5.596 1.00 22.20 N
ATOM 476 CA GLY A 52 5.253 -4.917 4.411 1.00 21.13 C
ATOM 477 C GLY A 52 3.914 -4.232 4.658 1.00 21.76 C
ATOM 478 O GLY A 52 3.671 -3.558 5.656 1.00 20.75 O
ATOM 479 H GLY A 52 6.184 -4.693 6.335 1.00 15.00 H
ATOM 480 N PHE A 53 3.057 -4.404 3.657 1.00 20.28 N
ATOM 481 CA PHE A 53 1.760 -3.691 3.590 1.00 19.38 C
ATOM 482 C PHE A 53 0.582 -4.607 3.793 1.00 20.39 C
ATOM 483 O PHE A 53 0.564 -5.742 3.335 1.00 20.69 O
ATOM 484 CB PHE A 53 1.515 -3.043 2.206 1.00 17.92 C
ATOM 485 CG PHE A 53 2.393 -1.843 2.000 1.00 16.41 C
ATOM 486 CD1 PHE A 53 3.675 -2.002 1.457 1.00 17.28 C
ATOM 487 CD2 PHE A 53 1.940 -0.574 2.433 1.00 21.52 C
ATOM 488 CE1 PHE A 53 4.528 -0.885 1.361 1.00 20.60 C
ATOM 489 CE2 PHE A 53 2.799 0.547 2.337 1.00 23.48 C
ATOM 490 CZ PHE A 53 4.100 0.389 1.800 1.00 19.13 C
ATOM 491 H PHE A 53 3.321 -5.025 2.917 1.00 15.00 H
ATOM 492 N ILE A 54 -0.428 -4.073 4.474 1.00 20.17 N
ATOM 493 CA ILE A 54 -1.699 -4.786 4.475 1.00 18.57 C
ATOM 494 C ILE A 54 -2.854 -3.934 3.968 1.00 18.56 C
ATOM 495 O ILE A 54 -2.840 -2.713 3.948 1.00 19.42 O
ATOM 496 CB ILE A 54 -2.022 -5.360 5.877 1.00 19.94 C
ATOM 497 CG1 ILE A 54 -2.126 -4.310 6.968 1.00 17.69 C
ATOM 498 CG2 ILE A 54 -1.012 -6.425 6.302 1.00 20.12 C
ATOM 499 CD1 ILE A 54 -2.842 -4.794 8.227 1.00 19.46 C
ATOM 500 H ILE A 54 -0.315 -3.177 4.914 1.00 15.00 H
ATOM 501 N LYS A 55 -3.888 -4.616 3.544 1.00 21.29 N
ATOM 502 CA LYS A 55 -5.103 -3.863 3.191 1.00 21.50 C
ATOM 503 C LYS A 55 -6.060 -3.749 4.343 1.00 19.47 C
ATOM 504 O LYS A 55 -6.360 -4.716 5.039 1.00 19.33 O
ATOM 505 CB LYS A 55 -5.866 -4.554 2.058 1.00 26.74 C
ATOM 506 CG LYS A 55 -5.003 -4.719 0.805 1.00 32.55 C
ATOM 507 CD LYS A 55 -5.617 -5.620 -0.276 1.00 36.84 C
ATOM 508 CE LYS A 55 -6.901 -5.069 -0.893 1.00 38.29 C
ATOM 509 NZ LYS A 55 -7.327 -6.026 -1.922 1.00 43.39 N
ATOM 510 H LYS A 55 -3.862 -5.618 3.536 1.00 15.00 H
ATOM 511 HZ1 LYS A 55 -7.448 -6.964 -1.487 1.00 15.00 H
ATOM 512 HZ2 LYS A 55 -8.230 -5.719 -2.336 1.00 15.00 H
ATOM 513 HZ3 LYS A 55 -6.602 -6.085 -2.665 1.00 15.00 H
ATOM 514 N VAL A 56 -6.498 -2.519 4.533 1.00 18.56 N
ATOM 515 CA VAL A 56 -7.434 -2.236 5.626 1.00 18.30 C
ATOM 516 C VAL A 56 -8.708 -1.492 5.204 1.00 19.26 C
ATOM 517 O VAL A 56 -8.771 -0.821 4.185 1.00 21.37 O
ATOM 518 CB VAL A 56 -6.704 -1.427 6.708 1.00 18.08 C
ATOM 519 CG1 VAL A 56 -5.663 -2.295 7.413 1.00 16.36 C
ATOM 520 CG2 VAL A 56 -6.135 -0.107 6.166 1.00 18.39 C
ATOM 521 H VAL A 56 -6.188 -1.796 3.908 1.00 15.00 H
ATOM 522 N ARG A 57 -9.738 -1.602 6.020 1.00 19.17 N
ATOM 523 CA ARG A 57 -10.909 -0.748 5.802 1.00 19.84 C
ATOM 524 C ARG A 57 -10.813 0.483 6.651 1.00 20.81 C
ATOM 525 O ARG A 57 -10.619 0.422 7.853 1.00 21.36 O
ATOM 526 CB ARG A 57 -12.201 -1.440 6.239 1.00 22.79 C
ATOM 527 CG ARG A 57 -12.500 -2.771 5.555 1.00 28.72 C
ATOM 528 CD ARG A 57 -13.858 -3.292 6.032 1.00 35.43 C
ATOM 529 NE ARG A 57 -13.748 -4.602 6.663 1.00 43.69 N
ATOM 530 CZ ARG A 57 -14.161 -4.801 7.933 1.00 48.39 C
ATOM 531 NH1 ARG A 57 -14.728 -3.800 8.640 1.00 49.31 N
ATOM 532 NH2 ARG A 57 -13.996 -6.018 8.484 1.00 49.29 N
ATOM 533 H ARG A 57 -9.658 -2.197 6.821 1.00 15.00 H
ATOM 534 HE ARG A 57 -13.339 -5.357 6.150 1.00 15.00 H
ATOM 535 HH11 ARG A 57 -14.853 -2.908 8.206 1.00 0.00 H
ATOM 536 HH12 ARG A 57 -15.033 -3.913 9.593 1.00 0.00 H
ATOM 537 HH21 ARG A 57 -13.566 -6.745 7.949 1.00 0.00 H
ATOM 538 HH22 ARG A 57 -14.296 -6.210 9.419 1.00 0.00 H
ATOM 539 N GLN A 58 -10.938 1.617 6.020 1.00 20.12 N
ATOM 540 CA GLN A 58 -10.920 2.864 6.799 1.00 21.95 C
ATOM 541 C GLN A 58 -12.293 3.415 7.201 1.00 23.35 C
ATOM 542 O GLN A 58 -13.123 3.759 6.371 1.00 25.39 O
ATOM 543 CB GLN A 58 -10.189 3.922 5.982 1.00 20.95 C
ATOM 544 CG GLN A 58 -10.134 5.235 6.752 1.00 26.62 C
ATOM 545 CD GLN A 58 -9.441 6.306 5.966 1.00 27.71 C
ATOM 546 OE1 GLN A 58 -8.267 6.299 5.701 1.00 28.40 O
ATOM 547 NE2 GLN A 58 -10.193 7.300 5.610 1.00 31.58 N
ATOM 548 H GLN A 58 -11.022 1.621 5.020 1.00 15.00 H
ATOM 549 HE21 GLN A 58 -9.736 8.023 5.106 1.00 0.00 H
ATOM 550 HE22 GLN A 58 -11.166 7.339 5.805 1.00 0.00 H
ATOM 551 N TYR A 59 -12.466 3.541 8.508 1.00 20.81 N
ATOM 552 CA TYR A 59 -13.613 4.218 9.110 1.00 22.77 C
ATOM 553 C TYR A 59 -13.260 5.532 9.791 1.00 24.76 C
ATOM 554 O TYR A 59 -12.437 5.643 10.687 1.00 25.36 O
ATOM 555 CB TYR A 59 -14.228 3.337 10.204 1.00 19.72 C
ATOM 556 CG TYR A 59 -14.898 2.088 9.697 1.00 19.61 C
ATOM 557 CD1 TYR A 59 -14.126 0.936 9.457 1.00 19.33 C
ATOM 558 CD2 TYR A 59 -16.305 2.069 9.511 1.00 18.69 C
ATOM 559 CE1 TYR A 59 -14.760 -0.247 9.040 1.00 20.46 C
ATOM 560 CE2 TYR A 59 -16.935 0.884 9.093 1.00 19.72 C
ATOM 561 CZ TYR A 59 -16.154 -0.265 8.865 1.00 19.59 C
ATOM 562 OH TYR A 59 -16.751 -1.449 8.497 1.00 23.47 O
ATOM 563 H TYR A 59 -11.769 3.148 9.117 1.00 15.00 H
ATOM 564 HH TYR A 59 -17.685 -1.254 8.335 1.00 15.00 H
ATOM 565 N ASP A 60 -13.908 6.571 9.339 1.00 27.44 N
ATOM 566 CA ASP A 60 -13.691 7.872 9.991 1.00 29.22 C
ATOM 567 C ASP A 60 -14.703 8.261 11.063 1.00 28.18 C
ATOM 568 O ASP A 60 -15.795 7.741 11.172 1.00 26.44 O
ATOM 569 CB ASP A 60 -13.704 9.011 8.955 1.00 32.45 C
ATOM 570 CG ASP A 60 -12.685 8.830 7.851 1.00 35.00 C
ATOM 571 OD1 ASP A 60 -11.515 8.577 8.124 1.00 37.83 O
ATOM 572 OD2 ASP A 60 -13.080 8.950 6.702 1.00 38.92 O
ATOM 573 H ASP A 60 -14.588 6.451 8.621 1.00 15.00 H
ATOM 574 N GLN A 61 -14.297 9.231 11.859 1.00 28.05 N
ATOM 575 CA GLN A 61 -15.127 9.774 12.932 1.00 31.25 C
ATOM 576 C GLN A 61 -15.813 8.766 13.870 1.00 29.64 C
ATOM 577 O GLN A 61 -16.933 8.895 14.334 1.00 28.72 O
ATOM 578 CB GLN A 61 -16.080 10.847 12.364 1.00 34.05 C
ATOM 579 CG GLN A 61 -15.740 12.256 12.901 1.00 43.14 C
ATOM 580 CD GLN A 61 -16.840 13.283 12.550 1.00 50.50 C
ATOM 581 OE1 GLN A 61 -17.692 13.718 13.302 1.00 51.93 O
ATOM 582 NE2 GLN A 61 -16.826 13.728 11.317 1.00 53.24 N
ATOM 583 H GLN A 61 -13.389 9.609 11.695 1.00 15.00 H
ATOM 584 HE21 GLN A 61 -17.587 14.323 11.087 1.00 0.00 H
ATOM 585 HE22 GLN A 61 -16.133 13.479 10.654 1.00 0.00 H
ATOM 586 N ILE A 62 -15.041 7.721 14.161 1.00 26.97 N
ATOM 587 CA ILE A 62 -15.488 6.699 15.115 1.00 24.32 C
ATOM 588 C ILE A 62 -15.197 7.071 16.559 1.00 24.62 C
ATOM 589 O ILE A 62 -14.098 7.454 16.939 1.00 22.41 O
ATOM 590 CB ILE A 62 -14.785 5.361 14.797 1.00 24.50 C
ATOM 591 CG1 ILE A 62 -15.158 4.790 13.422 1.00 26.88 C
ATOM 592 CG2 ILE A 62 -14.946 4.259 15.852 1.00 21.58 C
ATOM 593 CD1 ILE A 62 -16.631 4.396 13.270 1.00 29.80 C
ATOM 594 H ILE A 62 -14.110 7.677 13.793 1.00 15.00 H
ATOM 595 N LEU A 63 -16.253 6.912 17.355 1.00 23.72 N
ATOM 596 CA LEU A 63 -16.145 7.015 18.812 1.00 24.76 C
ATOM 597 C LEU A 63 -15.490 5.820 19.482 1.00 23.09 C
ATOM 598 O LEU A 63 -15.899 4.674 19.415 1.00 22.96 O
ATOM 599 CB LEU A 63 -17.536 7.255 19.403 1.00 26.40 C
ATOM 600 CG LEU A 63 -17.564 8.122 20.672 1.00 34.24 C
ATOM 601 CD1 LEU A 63 -19.012 8.505 20.962 1.00 36.69 C
ATOM 602 CD2 LEU A 63 -16.930 7.483 21.918 1.00 35.59 C
ATOM 603 H LEU A 63 -17.135 6.682 16.934 1.00 0.00 H
ATOM 604 N ILE A 64 -14.421 6.142 20.153 1.00 23.13 N
ATOM 605 CA ILE A 64 -13.749 5.112 20.934 1.00 25.29 C
ATOM 606 C ILE A 64 -13.455 5.586 22.362 1.00 25.90 C
ATOM 607 O ILE A 64 -13.167 6.741 22.655 1.00 24.57 O
ATOM 608 CB ILE A 64 -12.471 4.724 20.172 1.00 26.29 C
ATOM 609 CG1 ILE A 64 -11.582 3.695 20.865 1.00 25.09 C
ATOM 610 CG2 ILE A 64 -11.702 6.001 19.798 1.00 26.03 C
ATOM 611 CD1 ILE A 64 -10.560 3.133 19.880 1.00 27.87 C
ATOM 612 H ILE A 64 -14.067 7.082 20.102 1.00 0.00 H
ATOM 613 N GLU A 65 -13.554 4.638 23.273 1.00 24.59 N
ATOM 614 CA GLU A 65 -13.192 5.048 24.632 1.00 23.96 C
ATOM 615 C GLU A 65 -12.022 4.279 25.223 1.00 22.16 C
ATOM 616 O GLU A 65 -11.994 3.065 25.311 1.00 23.38 O
ATOM 617 CB GLU A 65 -14.471 4.907 25.411 1.00 26.71 C
ATOM 618 CG GLU A 65 -14.528 5.598 26.751 1.00 35.02 C
ATOM 619 CD GLU A 65 -15.864 5.206 27.308 1.00 38.12 C
ATOM 620 OE1 GLU A 65 -16.894 5.625 26.769 1.00 39.32 O
ATOM 621 OE2 GLU A 65 -15.860 4.438 28.264 1.00 44.66 O
ATOM 622 H GLU A 65 -13.886 3.727 23.012 1.00 15.00 H
ATOM 623 N ILE A 66 -11.010 5.011 25.583 1.00 20.47 N
ATOM 624 CA ILE A 66 -9.772 4.354 26.003 1.00 21.43 C
ATOM 625 C ILE A 66 -9.543 4.621 27.463 1.00 22.32 C
ATOM 626 O ILE A 66 -9.390 5.766 27.862 1.00 21.56 O
ATOM 627 CB ILE A 66 -8.573 4.890 25.185 1.00 21.43 C
ATOM 628 CG1 ILE A 66 -8.767 4.586 23.683 1.00 22.79 C
ATOM 629 CG2 ILE A 66 -7.203 4.333 25.625 1.00 18.30 C
ATOM 630 CD1 ILE A 66 -8.508 5.775 22.760 1.00 25.09 C
ATOM 631 H ILE A 66 -11.088 6.009 25.504 1.00 15.00 H
ATOM 632 N CYS A 67 -9.625 3.561 28.283 1.00 23.95 N
ATOM 633 CA CYS A 67 -9.639 3.779 29.759 1.00 25.81 C
ATOM 634 C CYS A 67 -10.569 4.867 30.280 1.00 25.78 C
ATOM 635 O CYS A 67 -10.216 5.771 31.022 1.00 27.75 O
ATOM 636 CB CYS A 67 -8.238 4.104 30.307 1.00 28.11 C
ATOM 637 SG CYS A 67 -7.092 2.710 30.224 1.00 34.88 S
ATOM 638 H CYS A 67 -9.653 2.638 27.889 1.00 15.00 H
ATOM 639 N GLY A 68 -11.786 4.812 29.774 1.00 26.85 N
ATOM 640 CA GLY A 68 -12.726 5.890 30.099 1.00 29.30 C
ATOM 641 C GLY A 68 -12.470 7.280 29.522 1.00 27.77 C
ATOM 642 O GLY A 68 -13.086 8.265 29.855 1.00 31.55 O
ATOM 643 H GLY A 68 -12.066 4.009 29.239 1.00 15.00 H
ATOM 644 N HIS A 69 -11.523 7.374 28.628 1.00 25.68 N
ATOM 645 CA HIS A 69 -11.391 8.665 27.938 1.00 25.43 C
ATOM 646 C HIS A 69 -11.936 8.574 26.527 1.00 25.56 C
ATOM 647 O HIS A 69 -11.585 7.679 25.781 1.00 27.37 O
ATOM 648 CB HIS A 69 -9.911 9.032 27.800 1.00 27.26 C
ATOM 649 CG HIS A 69 -9.293 9.326 29.136 1.00 28.11 C
ATOM 650 ND1 HIS A 69 -8.698 10.474 29.444 1.00 32.18 N
ATOM 651 CD2 HIS A 69 -9.237 8.501 30.255 1.00 30.53 C
ATOM 652 CE1 HIS A 69 -8.272 10.395 30.734 1.00 29.99 C
ATOM 653 NE2 HIS A 69 -8.608 9.181 31.228 1.00 28.92 N
ATOM 654 H HIS A 69 -10.962 6.577 28.397 1.00 15.00 H
ATOM 655 HD1 HIS A 69 -8.508 11.251 28.874 1.00 15.00 H
ATOM 656 HE2 HIS A 69 -8.457 8.876 32.142 1.00 15.00 H
ATOM 657 N LYS A 70 -12.797 9.502 26.166 1.00 26.44 N
ATOM 658 CA LYS A 70 -13.302 9.531 24.771 1.00 28.01 C
ATOM 659 C LYS A 70 -12.380 10.089 23.696 1.00 25.80 C
ATOM 660 O LYS A 70 -11.743 11.119 23.834 1.00 26.61 O
ATOM 661 CB LYS A 70 -14.614 10.314 24.693 1.00 30.29 C
ATOM 662 CG LYS A 70 -15.629 9.489 25.447 1.00 37.71 C
ATOM 663 CD LYS A 70 -16.989 10.140 25.624 1.00 45.22 C
ATOM 664 CE LYS A 70 -17.856 9.084 26.323 1.00 53.65 C
ATOM 665 NZ LYS A 70 -19.275 9.485 26.355 1.00 59.52 N
ATOM 666 H LYS A 70 -13.068 10.197 26.826 1.00 15.00 H
ATOM 667 HZ1 LYS A 70 -19.363 10.396 26.849 1.00 15.00 H
ATOM 668 HZ2 LYS A 70 -19.634 9.580 25.384 1.00 15.00 H
ATOM 669 HZ3 LYS A 70 -19.826 8.764 26.862 1.00 15.00 H
ATOM 670 N ALA A 71 -12.346 9.369 22.602 1.00 23.30 N
ATOM 671 CA ALA A 71 -11.662 9.915 21.435 1.00 22.11 C
ATOM 672 C ALA A 71 -12.542 9.700 20.243 1.00 21.95 C
ATOM 673 O ALA A 71 -13.288 8.732 20.176 1.00 23.33 O
ATOM 674 CB ALA A 71 -10.293 9.261 21.222 1.00 19.68 C
ATOM 675 H ALA A 71 -12.767 8.459 22.577 1.00 15.00 H
ATOM 676 N ILE A 72 -12.492 10.660 19.327 1.00 20.66 N
ATOM 677 CA ILE A 72 -13.266 10.487 18.076 1.00 20.93 C
ATOM 678 C ILE A 72 -12.397 10.673 16.842 1.00 19.64 C
ATOM 679 O ILE A 72 -11.858 11.744 16.577 1.00 19.08 O
ATOM 680 CB ILE A 72 -14.515 11.414 17.985 1.00 22.76 C
ATOM 681 CG1 ILE A 72 -15.428 11.308 19.221 1.00 19.08 C
ATOM 682 CG2 ILE A 72 -15.338 11.178 16.685 1.00 21.77 C
ATOM 683 CD1 ILE A 72 -16.545 12.328 19.195 1.00 18.53 C
ATOM 684 H ILE A 72 -11.880 11.439 19.500 1.00 15.00 H
ATOM 685 N GLY A 73 -12.234 9.565 16.123 1.00 16.35 N
ATOM 686 CA GLY A 73 -11.250 9.635 15.045 1.00 16.58 C
ATOM 687 C GLY A 73 -11.315 8.499 14.059 1.00 17.25 C
ATOM 688 O GLY A 73 -12.215 7.683 14.060 1.00 17.52 O
ATOM 689 H GLY A 73 -12.728 8.727 16.380 1.00 15.00 H
ATOM 690 N THR A 74 -10.311 8.478 13.199 1.00 18.81 N
ATOM 691 CA THR A 74 -10.209 7.419 12.171 1.00 18.10 C
ATOM 692 C THR A 74 -9.663 6.124 12.699 1.00 19.58 C
ATOM 693 O THR A 74 -8.638 6.053 13.370 1.00 21.06 O
ATOM 694 CB THR A 74 -9.269 7.830 11.027 1.00 18.64 C
ATOM 695 OG1 THR A 74 -9.791 9.006 10.422 1.00 22.66 O
ATOM 696 CG2 THR A 74 -9.087 6.788 9.914 1.00 18.39 C
ATOM 697 H THR A 74 -9.595 9.171 13.298 1.00 15.00 H
ATOM 698 HG1 THR A 74 -10.600 8.772 9.954 1.00 15.00 H
ATOM 699 N VAL A 75 -10.363 5.085 12.336 1.00 17.46 N
ATOM 700 CA VAL A 75 -9.922 3.755 12.729 1.00 19.72 C
ATOM 701 C VAL A 75 -9.774 2.879 11.496 1.00 19.18 C
ATOM 702 O VAL A 75 -10.641 2.783 10.644 1.00 20.15 O
ATOM 703 CB VAL A 75 -10.980 3.190 13.699 1.00 19.79 C
ATOM 704 CG1 VAL A 75 -10.805 1.694 13.903 1.00 23.90 C
ATOM 705 CG2 VAL A 75 -10.979 3.925 15.051 1.00 21.22 C
ATOM 706 H VAL A 75 -11.219 5.220 11.830 1.00 15.00 H
ATOM 707 N LEU A 76 -8.632 2.246 11.413 1.00 18.34 N
ATOM 708 CA LEU A 76 -8.505 1.246 10.357 1.00 17.04 C
ATOM 709 C LEU A 76 -8.804 -0.181 10.887 1.00 18.67 C
ATOM 710 O LEU A 76 -8.399 -0.574 11.971 1.00 19.96 O
ATOM 711 CB LEU A 76 -7.066 1.324 9.824 1.00 16.57 C
ATOM 712 CG LEU A 76 -6.550 2.725 9.522 1.00 18.82 C
ATOM 713 CD1 LEU A 76 -5.071 2.642 9.233 1.00 21.58 C
ATOM 714 CD2 LEU A 76 -7.239 3.355 8.317 1.00 20.90 C
ATOM 715 H LEU A 76 -7.922 2.343 12.116 1.00 15.00 H
ATOM 716 N VAL A 77 -9.537 -0.954 10.104 1.00 18.59 N
ATOM 717 CA VAL A 77 -9.799 -2.363 10.436 1.00 20.05 C
ATOM 718 C VAL A 77 -9.216 -3.338 9.402 1.00 19.29 C
ATOM 719 O VAL A 77 -9.379 -3.188 8.205 1.00 19.38 O
ATOM 720 CB VAL A 77 -11.337 -2.613 10.566 1.00 21.10 C
ATOM 721 CG1 VAL A 77 -11.656 -4.092 10.772 1.00 20.54 C
ATOM 722 CG2 VAL A 77 -11.972 -1.782 11.695 1.00 22.03 C
ATOM 723 H VAL A 77 -9.934 -0.528 9.285 1.00 15.00 H
ATOM 724 N GLY A 78 -8.544 -4.351 9.889 1.00 17.76 N
ATOM 725 CA GLY A 78 -7.915 -5.286 8.965 1.00 20.81 C
ATOM 726 C GLY A 78 -7.119 -6.333 9.697 1.00 21.05 C
ATOM 727 O GLY A 78 -7.171 -6.453 10.904 1.00 21.00 O
ATOM 728 H GLY A 78 -8.448 -4.436 10.889 1.00 15.00 H
ATOM 729 N PRO A 79 -6.383 -7.127 8.953 1.00 23.59 N
ATOM 730 CA PRO A 79 -5.745 -8.325 9.566 1.00 24.92 C
ATOM 731 C PRO A 79 -4.432 -8.063 10.338 1.00 25.42 C
ATOM 732 O PRO A 79 -3.351 -8.576 10.077 1.00 27.28 O
ATOM 733 CB PRO A 79 -5.567 -9.233 8.320 1.00 25.27 C
ATOM 734 CG PRO A 79 -5.265 -8.220 7.204 1.00 24.81 C
ATOM 735 CD PRO A 79 -6.185 -7.021 7.510 1.00 24.32 C
ATOM 736 N THR A 80 -4.563 -7.196 11.340 1.00 24.94 N
ATOM 737 CA THR A 80 -3.413 -6.929 12.226 1.00 23.07 C
ATOM 738 C THR A 80 -3.202 -8.045 13.257 1.00 21.78 C
ATOM 739 O THR A 80 -4.154 -8.572 13.805 1.00 22.02 O
ATOM 740 CB THR A 80 -3.600 -5.533 12.928 1.00 21.64 C
ATOM 741 OG1 THR A 80 -2.489 -5.260 13.811 1.00 22.96 O
ATOM 742 CG2 THR A 80 -4.940 -5.396 13.664 1.00 19.35 C
ATOM 743 H THR A 80 -5.485 -6.848 11.531 1.00 15.00 H
ATOM 744 HG1 THR A 80 -2.786 -4.729 14.572 1.00 15.00 H
ATOM 745 N PRO A 81 -1.936 -8.397 13.539 1.00 21.34 N
ATOM 746 CA PRO A 81 -1.696 -9.319 14.661 1.00 22.53 C
ATOM 747 C PRO A 81 -2.291 -8.888 16.032 1.00 25.08 C
ATOM 748 O PRO A 81 -2.604 -9.691 16.897 1.00 26.39 O
ATOM 749 CB PRO A 81 -0.165 -9.358 14.736 1.00 21.23 C
ATOM 750 CG PRO A 81 0.374 -8.841 13.406 1.00 21.84 C
ATOM 751 CD PRO A 81 -0.713 -7.932 12.872 1.00 20.69 C
ATOM 752 N VAL A 82 -2.417 -7.563 16.211 1.00 24.84 N
ATOM 753 CA VAL A 82 -2.818 -6.956 17.507 1.00 23.32 C
ATOM 754 C VAL A 82 -3.553 -5.640 17.323 1.00 19.45 C
ATOM 755 O VAL A 82 -3.209 -4.864 16.448 1.00 17.68 O
ATOM 756 CB VAL A 82 -1.533 -6.698 18.367 1.00 27.29 C
ATOM 757 CG1 VAL A 82 -0.555 -5.782 17.640 1.00 28.27 C
ATOM 758 CG2 VAL A 82 -1.794 -6.099 19.758 1.00 29.38 C
ATOM 759 H VAL A 82 -2.164 -6.954 15.460 1.00 15.00 H
ATOM 760 N ASN A 83 -4.545 -5.399 18.157 1.00 15.20 N
ATOM 761 CA ASN A 83 -5.162 -4.081 18.149 1.00 15.65 C
ATOM 762 C ASN A 83 -4.226 -3.007 18.633 1.00 16.61 C
ATOM 763 O ASN A 83 -3.666 -3.099 19.719 1.00 17.61 O
ATOM 764 CB ASN A 83 -6.365 -3.990 19.078 1.00 17.18 C
ATOM 765 CG ASN A 83 -7.430 -4.970 18.691 1.00 18.67 C
ATOM 766 OD1 ASN A 83 -7.792 -5.134 17.559 1.00 20.50 O
ATOM 767 ND2 ASN A 83 -7.997 -5.626 19.656 1.00 15.48 N
ATOM 768 H ASN A 83 -4.774 -6.091 18.847 1.00 15.00 H
ATOM 769 HD21 ASN A 83 -8.731 -6.253 19.422 1.00 0.00 H
ATOM 770 HD22 ASN A 83 -7.707 -5.493 20.605 1.00 0.00 H
ATOM 771 N ILE A 84 -4.081 -2.003 17.780 1.00 15.43 N
ATOM 772 CA ILE A 84 -3.103 -0.931 17.995 1.00 17.15 C
ATOM 773 C ILE A 84 -3.777 0.413 18.127 1.00 16.11 C
ATOM 774 O ILE A 84 -4.510 0.823 17.256 1.00 18.00 O
ATOM 775 CB ILE A 84 -2.160 -0.832 16.773 1.00 20.25 C
ATOM 776 CG1 ILE A 84 -1.337 -2.086 16.451 1.00 21.31 C
ATOM 777 CG2 ILE A 84 -1.231 0.409 16.831 1.00 20.13 C
ATOM 778 CD1 ILE A 84 -0.274 -2.312 17.495 1.00 27.80 C
ATOM 779 H ILE A 84 -4.599 -2.037 16.918 1.00 15.00 H
ATOM 780 N ILE A 85 -3.494 1.097 19.220 1.00 16.16 N
ATOM 781 CA ILE A 85 -3.877 2.492 19.292 1.00 13.61 C
ATOM 782 C ILE A 85 -2.693 3.388 18.952 1.00 13.86 C
ATOM 783 O ILE A 85 -1.704 3.452 19.669 1.00 15.09 O
ATOM 784 CB ILE A 85 -4.405 2.837 20.698 1.00 13.58 C
ATOM 785 CG1 ILE A 85 -5.537 1.927 21.180 1.00 16.38 C
ATOM 786 CG2 ILE A 85 -4.889 4.296 20.748 1.00 14.67 C
ATOM 787 CD1 ILE A 85 -6.768 1.959 20.256 1.00 17.20 C
ATOM 788 H ILE A 85 -2.911 0.688 19.928 1.00 15.00 H
ATOM 789 N GLY A 86 -2.814 4.082 17.826 1.00 13.34 N
ATOM 790 CA GLY A 86 -1.718 4.971 17.423 1.00 13.24 C
ATOM 791 C GLY A 86 -1.863 6.412 17.831 1.00 11.11 C
ATOM 792 O GLY A 86 -2.831 6.834 18.440 1.00 11.48 O
ATOM 793 H GLY A 86 -3.676 4.026 17.323 1.00 15.00 H
ATOM 794 N ARG A 87 -0.873 7.174 17.414 1.00 11.65 N
ATOM 795 CA ARG A 87 -0.838 8.612 17.743 1.00 13.30 C
ATOM 796 C ARG A 87 -2.015 9.479 17.393 1.00 14.45 C
ATOM 797 O ARG A 87 -2.291 10.421 18.107 1.00 14.07 O
ATOM 798 CB ARG A 87 0.404 9.338 17.211 1.00 12.91 C
ATOM 799 CG ARG A 87 1.716 8.783 17.766 1.00 11.29 C
ATOM 800 CD ARG A 87 2.918 9.671 17.432 1.00 14.08 C
ATOM 801 NE ARG A 87 3.171 9.653 15.994 1.00 16.04 N
ATOM 802 CZ ARG A 87 2.736 10.626 15.184 1.00 18.82 C
ATOM 803 NH1 ARG A 87 2.162 11.733 15.662 1.00 15.55 N
ATOM 804 NH2 ARG A 87 2.858 10.458 13.869 1.00 21.26 N
ATOM 805 H ARG A 87 -0.106 6.732 16.936 1.00 15.00 H
ATOM 806 HE ARG A 87 3.600 8.847 15.594 1.00 15.00 H
ATOM 807 HH11 ARG A 87 2.073 11.832 16.649 1.00 0.00 H
ATOM 808 HH12 ARG A 87 1.817 12.460 15.065 1.00 0.00 H
ATOM 809 HH21 ARG A 87 3.275 9.624 13.509 1.00 0.00 H
ATOM 810 HH22 ARG A 87 2.536 11.171 13.238 1.00 0.00 H
ATOM 811 N ASN A 88 -2.756 9.145 16.328 1.00 15.26 N
ATOM 812 CA ASN A 88 -4.025 9.873 16.077 1.00 15.06 C
ATOM 813 C ASN A 88 -5.065 9.947 17.228 1.00 16.11 C
ATOM 814 O ASN A 88 -5.761 10.934 17.439 1.00 17.19 O
ATOM 815 CB ASN A 88 -4.704 9.399 14.759 1.00 12.37 C
ATOM 816 CG ASN A 88 -5.308 8.030 14.859 1.00 13.93 C
ATOM 817 OD1 ASN A 88 -4.673 7.063 15.192 1.00 15.35 O
ATOM 818 ND2 ASN A 88 -6.584 7.939 14.605 1.00 13.21 N
ATOM 819 H ASN A 88 -2.463 8.374 15.759 1.00 15.00 H
ATOM 820 HD21 ASN A 88 -7.033 7.049 14.661 1.00 0.00 H
ATOM 821 HD22 ASN A 88 -7.118 8.741 14.340 1.00 0.00 H
ATOM 822 N LEU A 89 -5.137 8.851 17.984 1.00 14.96 N
ATOM 823 CA LEU A 89 -6.001 8.902 19.179 1.00 15.55 C
ATOM 824 C LEU A 89 -5.250 9.117 20.496 1.00 15.52 C
ATOM 825 O LEU A 89 -5.760 9.715 21.421 1.00 17.54 O
ATOM 826 CB LEU A 89 -6.830 7.624 19.295 1.00 15.48 C
ATOM 827 CG LEU A 89 -7.671 7.266 18.064 1.00 17.22 C
ATOM 828 CD1 LEU A 89 -8.371 5.934 18.261 1.00 18.04 C
ATOM 829 CD2 LEU A 89 -8.687 8.341 17.718 1.00 18.47 C
ATOM 830 H LEU A 89 -4.581 8.049 17.753 1.00 15.00 H
ATOM 831 N LEU A 90 -3.977 8.672 20.576 1.00 14.72 N
ATOM 832 CA LEU A 90 -3.210 9.041 21.782 1.00 14.60 C
ATOM 833 C LEU A 90 -3.104 10.530 22.122 1.00 16.02 C
ATOM 834 O LEU A 90 -3.161 10.950 23.263 1.00 14.58 O
ATOM 835 CB LEU A 90 -1.789 8.473 21.755 1.00 13.92 C
ATOM 836 CG LEU A 90 -1.690 6.947 21.703 1.00 11.48 C
ATOM 837 CD1 LEU A 90 -0.232 6.548 21.492 1.00 12.42 C
ATOM 838 CD2 LEU A 90 -2.311 6.293 22.918 1.00 11.55 C
ATOM 839 H LEU A 90 -3.607 8.067 19.865 1.00 15.00 H
ATOM 840 N THR A 91 -2.980 11.341 21.078 1.00 15.56 N
ATOM 841 CA THR A 91 -3.003 12.794 21.277 1.00 15.71 C
ATOM 842 C THR A 91 -4.310 13.372 21.781 1.00 16.35 C
ATOM 843 O THR A 91 -4.355 14.248 22.624 1.00 17.99 O
ATOM 844 CB THR A 91 -2.618 13.546 19.981 1.00 15.91 C
ATOM 845 OG1 THR A 91 -3.574 13.247 18.975 1.00 15.35 O
ATOM 846 CG2 THR A 91 -1.195 13.245 19.482 1.00 11.53 C
ATOM 847 H THR A 91 -2.885 10.967 20.152 1.00 15.00 H
ATOM 848 HG1 THR A 91 -3.587 13.962 18.327 1.00 15.00 H
ATOM 849 N GLN A 92 -5.406 12.825 21.283 1.00 18.17 N
ATOM 850 CA GLN A 92 -6.732 13.213 21.794 1.00 17.46 C
ATOM 851 C GLN A 92 -6.978 12.987 23.279 1.00 17.68 C
ATOM 852 O GLN A 92 -7.565 13.795 23.960 1.00 19.10 O
ATOM 853 CB GLN A 92 -7.867 12.506 21.028 1.00 17.91 C
ATOM 854 CG GLN A 92 -7.882 12.844 19.539 1.00 18.73 C
ATOM 855 CD GLN A 92 -9.209 12.434 18.946 1.00 21.37 C
ATOM 856 OE1 GLN A 92 -10.223 12.295 19.596 1.00 22.69 O
ATOM 857 NE2 GLN A 92 -9.225 12.240 17.648 1.00 20.57 N
ATOM 858 H GLN A 92 -5.296 12.184 20.525 1.00 15.00 H
ATOM 859 HE21 GLN A 92 -10.115 12.047 17.229 1.00 0.00 H
ATOM 860 HE22 GLN A 92 -8.391 12.291 17.109 1.00 0.00 H
ATOM 861 N ILE A 93 -6.468 11.873 23.792 1.00 18.53 N
ATOM 862 CA ILE A 93 -6.550 11.664 25.250 1.00 20.06 C
ATOM 863 C ILE A 93 -5.388 12.224 26.114 1.00 20.92 C
ATOM 864 O ILE A 93 -5.188 11.924 27.276 1.00 24.78 O
ATOM 865 CB ILE A 93 -6.735 10.162 25.532 1.00 18.80 C
ATOM 866 CG1 ILE A 93 -5.467 9.338 25.230 1.00 19.90 C
ATOM 867 CG2 ILE A 93 -7.964 9.600 24.795 1.00 20.28 C
ATOM 868 CD1 ILE A 93 -5.599 7.880 25.692 1.00 20.77 C
ATOM 869 H ILE A 93 -6.079 11.197 23.164 1.00 15.00 H
ATOM 870 N GLY A 94 -4.577 13.058 25.526 1.00 18.65 N
ATOM 871 CA GLY A 94 -3.549 13.718 26.325 1.00 18.09 C
ATOM 872 C GLY A 94 -2.374 12.863 26.726 1.00 19.27 C
ATOM 873 O GLY A 94 -1.695 13.059 27.715 1.00 19.93 O
ATOM 874 H GLY A 94 -4.730 13.301 24.568 1.00 15.00 H
ATOM 875 N CYS A 95 -2.113 11.878 25.889 1.00 17.79 N
ATOM 876 CA CYS A 95 -0.972 11.021 26.207 1.00 18.67 C
ATOM 877 C CYS A 95 0.411 11.564 25.910 1.00 18.57 C
ATOM 878 O CYS A 95 0.731 12.066 24.845 1.00 18.45 O
ATOM 879 CB CYS A 95 -1.220 9.720 25.459 1.00 19.95 C
ATOM 880 SG CYS A 95 -0.324 8.320 26.076 1.00 26.87 S
ATOM 881 H CYS A 95 -2.670 11.764 25.063 1.00 15.00 H
ATOM 882 N THR A 96 1.257 11.472 26.905 1.00 17.81 N
ATOM 883 CA THR A 96 2.667 11.828 26.674 1.00 18.40 C
ATOM 884 C THR A 96 3.625 10.726 27.075 1.00 18.90 C
ATOM 885 O THR A 96 3.312 9.827 27.841 1.00 19.54 O
ATOM 886 CB THR A 96 3.126 13.148 27.402 1.00 21.43 C
ATOM 887 OG1 THR A 96 2.953 13.085 28.841 1.00 21.52 O
ATOM 888 CG2 THR A 96 2.426 14.395 26.865 1.00 19.80 C
ATOM 889 H THR A 96 0.942 11.141 27.799 1.00 15.00 H
ATOM 890 HG1 THR A 96 2.083 13.408 29.108 1.00 15.00 H
ATOM 891 N LEU A 97 4.829 10.846 26.543 1.00 20.05 N
ATOM 892 CA LEU A 97 5.970 10.076 27.053 1.00 21.73 C
ATOM 893 C LEU A 97 6.826 10.868 28.016 1.00 20.95 C
ATOM 894 O LEU A 97 7.244 11.994 27.785 1.00 20.90 O
ATOM 895 CB LEU A 97 6.960 9.674 25.931 1.00 22.98 C
ATOM 896 CG LEU A 97 6.702 8.417 25.088 1.00 26.54 C
ATOM 897 CD1 LEU A 97 7.707 8.399 23.934 1.00 26.81 C
ATOM 898 CD2 LEU A 97 6.770 7.116 25.923 1.00 25.48 C
ATOM 899 H LEU A 97 4.971 11.563 25.856 1.00 15.00 H
ATOM 900 N ASN A 98 7.129 10.218 29.115 1.00 22.02 N
ATOM 901 CA ASN A 98 7.964 10.897 30.110 1.00 21.67 C
ATOM 902 C ASN A 98 9.119 10.076 30.631 1.00 21.17 C
ATOM 903 O ASN A 98 8.998 8.909 30.918 1.00 19.80 O
ATOM 904 CB ASN A 98 7.085 11.264 31.309 1.00 24.46 C
ATOM 905 CG ASN A 98 5.938 12.162 30.886 1.00 25.56 C
ATOM 906 OD1 ASN A 98 4.803 11.783 30.720 1.00 28.54 O
ATOM 907 ND2 ASN A 98 6.227 13.419 30.764 1.00 25.81 N
ATOM 908 H ASN A 98 6.694 9.327 29.287 1.00 15.00 H
ATOM 909 HD21 ASN A 98 5.457 14.021 30.536 1.00 0.00 H
ATOM 910 HD22 ASN A 98 7.142 13.780 30.889 1.00 0.00 H
ATOM 911 N PHE A 99 10.243 10.723 30.760 1.00 23.35 N
ATOM 912 CA PHE A 99 11.398 10.152 31.501 1.00 27.08 C
ATOM 913 C PHE A 99 12.431 11.194 31.955 1.00 29.54 C
ATOM 914 O PHE A 99 13.608 10.866 32.201 1.00 32.04 O
ATOM 915 CB PHE A 99 12.115 9.036 30.710 1.00 27.18 C
ATOM 916 CG PHE A 99 12.734 9.553 29.435 1.00 30.14 C
ATOM 917 CD1 PHE A 99 11.928 9.722 28.281 1.00 29.15 C
ATOM 918 CD2 PHE A 99 14.102 9.920 29.430 1.00 29.52 C
ATOM 919 CE1 PHE A 99 12.500 10.283 27.118 1.00 31.92 C
ATOM 920 CE2 PHE A 99 14.664 10.474 28.263 1.00 32.00 C
ATOM 921 CZ PHE A 99 13.865 10.657 27.111 1.00 30.64 C
ATOM 922 OXT PHE A 99 12.077 12.390 31.979 1.00 32.36 O
ATOM 923 H PHE A 99 10.285 11.639 30.363 1.00 15.00 H
TER 924 PHE A 99
ATOM 925 N PRO B 1 12.631 14.527 30.445 1.00 33.83 N
ATOM 926 CA PRO B 1 11.813 15.241 29.428 1.00 31.63 C
ATOM 927 C PRO B 1 10.424 14.640 29.186 1.00 30.58 C
ATOM 928 O PRO B 1 10.199 13.459 29.375 1.00 29.65 O
ATOM 929 CB PRO B 1 12.639 15.245 28.134 1.00 32.48 C
ATOM 930 CG PRO B 1 13.551 14.042 28.307 1.00 33.88 C
ATOM 931 CD PRO B 1 13.902 14.155 29.788 1.00 32.93 C
ATOM 932 H2 PRO B 1 12.802 15.106 31.294 1.00 15.00 H
ATOM 933 H3 PRO B 1 12.158 13.649 30.780 1.00 15.00 H
ATOM 934 N GLN B 2 9.515 15.512 28.778 1.00 29.86 N
ATOM 935 CA GLN B 2 8.204 15.071 28.306 1.00 31.34 C
ATOM 936 C GLN B 2 8.081 15.222 26.796 1.00 32.34 C
ATOM 937 O GLN B 2 8.229 16.295 26.231 1.00 32.92 O
ATOM 938 CB GLN B 2 7.116 15.931 28.926 1.00 31.06 C
ATOM 939 CG GLN B 2 5.738 15.739 28.289 1.00 36.78 C
ATOM 940 CD GLN B 2 4.614 16.162 29.216 1.00 43.19 C
ATOM 941 OE1 GLN B 2 4.428 15.694 30.329 1.00 43.42 O
ATOM 942 NE2 GLN B 2 3.802 17.076 28.720 1.00 45.57 N
ATOM 943 H GLN B 2 9.733 16.485 28.709 1.00 15.00 H
ATOM 944 HE21 GLN B 2 3.031 17.320 29.302 1.00 0.00 H
ATOM 945 HE22 GLN B 2 3.903 17.477 27.816 1.00 0.00 H
ATOM 946 N ILE B 3 7.779 14.104 26.169 1.00 30.38 N
ATOM 947 CA ILE B 3 7.555 14.093 24.725 1.00 27.00 C
ATOM 948 C ILE B 3 6.090 13.962 24.358 1.00 25.29 C
ATOM 949 O ILE B 3 5.339 13.071 24.727 1.00 23.66 O
ATOM 950 CB ILE B 3 8.393 12.972 24.140 1.00 26.68 C
ATOM 951 CG1 ILE B 3 9.825 13.186 24.628 1.00 28.99 C
ATOM 952 CG2 ILE B 3 8.338 12.968 22.617 1.00 27.20 C
ATOM 953 CD1 ILE B 3 10.849 12.201 24.098 1.00 30.75 C
ATOM 954 H ILE B 3 7.660 13.270 26.714 1.00 15.00 H
ATOM 955 N THR B 4 5.668 14.979 23.632 1.00 24.55 N
ATOM 956 CA THR B 4 4.308 14.916 23.082 1.00 23.04 C
ATOM 957 C THR B 4 4.275 14.082 21.795 1.00 21.95 C
ATOM 958 O THR B 4 5.282 13.755 21.163 1.00 20.72 O
ATOM 959 CB THR B 4 3.720 16.338 22.791 1.00 25.45 C
ATOM 960 OG1 THR B 4 4.415 16.992 21.701 1.00 25.34 O
ATOM 961 CG2 THR B 4 3.733 17.230 24.039 1.00 21.51 C
ATOM 962 H THR B 4 6.322 15.684 23.349 1.00 15.00 H
ATOM 963 HG1 THR B 4 5.258 17.346 22.022 1.00 15.00 H
ATOM 964 N LEU B 5 3.054 13.746 21.444 1.00 20.72 N
ATOM 965 CA LEU B 5 2.896 12.827 20.314 1.00 21.03 C
ATOM 966 C LEU B 5 2.289 13.423 19.036 1.00 21.17 C
ATOM 967 O LEU B 5 1.818 12.724 18.160 1.00 20.71 O
ATOM 968 CB LEU B 5 2.066 11.613 20.812 1.00 19.44 C
ATOM 969 CG LEU B 5 2.768 10.789 21.925 1.00 20.76 C
ATOM 970 CD1 LEU B 5 1.792 9.758 22.447 1.00 18.20 C
ATOM 971 CD2 LEU B 5 4.112 10.166 21.457 1.00 17.78 C
ATOM 972 H LEU B 5 2.269 14.060 21.979 1.00 15.00 H
ATOM 973 N TRP B 6 2.295 14.760 18.926 1.00 20.49 N
ATOM 974 CA TRP B 6 1.861 15.409 17.662 1.00 19.64 C
ATOM 975 C TRP B 6 2.658 15.013 16.433 1.00 20.19 C
ATOM 976 O TRP B 6 2.163 14.819 15.334 1.00 21.05 O
ATOM 977 CB TRP B 6 2.031 16.914 17.740 1.00 19.54 C
ATOM 978 CG TRP B 6 1.273 17.503 18.893 1.00 22.24 C
ATOM 979 CD1 TRP B 6 1.846 18.109 20.034 1.00 22.86 C
ATOM 980 CD2 TRP B 6 -0.126 17.615 19.034 1.00 22.64 C
ATOM 981 NE1 TRP B 6 0.890 18.594 20.878 1.00 23.49 N
ATOM 982 CE2 TRP B 6 -0.344 18.331 20.329 1.00 22.63 C
ATOM 983 CE3 TRP B 6 -1.233 17.233 18.246 1.00 21.26 C
ATOM 984 CZ2 TRP B 6 -1.668 18.610 20.733 1.00 22.76 C
ATOM 985 CZ3 TRP B 6 -2.535 17.533 18.687 1.00 24.61 C
ATOM 986 CH2 TRP B 6 -2.749 18.213 19.911 1.00 24.55 C
ATOM 987 H TRP B 6 2.651 15.294 19.692 1.00 15.00 H
ATOM 988 HE1 TRP B 6 1.055 19.097 21.714 1.00 15.00 H
ATOM 989 N GLN B 7 3.940 14.863 16.684 1.00 20.83 N
ATOM 990 CA GLN B 7 4.838 14.279 15.700 1.00 22.45 C
ATOM 991 C GLN B 7 5.362 12.928 16.129 1.00 21.44 C
ATOM 992 O GLN B 7 5.212 12.521 17.264 1.00 19.28 O
ATOM 993 CB GLN B 7 6.049 15.178 15.575 1.00 29.05 C
ATOM 994 CG GLN B 7 5.977 16.211 14.445 1.00 42.84 C
ATOM 995 CD GLN B 7 5.170 17.444 14.790 1.00 49.54 C
ATOM 996 OE1 GLN B 7 5.340 18.126 15.787 1.00 55.16 O
ATOM 997 NE2 GLN B 7 4.292 17.777 13.872 1.00 54.23 N
ATOM 998 H GLN B 7 4.299 15.155 17.576 1.00 15.00 H
ATOM 999 HE21 GLN B 7 3.768 18.622 14.016 1.00 0.00 H
ATOM 1000 HE22 GLN B 7 4.141 17.238 13.053 1.00 0.00 H
ATOM 1001 N ARG B 8 6.014 12.233 15.208 1.00 19.68 N
ATOM 1002 CA ARG B 8 6.612 10.961 15.643 1.00 19.99 C
ATOM 1003 C ARG B 8 7.684 11.164 16.695 1.00 18.80 C
ATOM 1004 O ARG B 8 8.481 12.053 16.476 1.00 20.58 O
ATOM 1005 CB ARG B 8 7.310 10.267 14.476 1.00 18.16 C
ATOM 1006 CG ARG B 8 6.335 9.955 13.369 1.00 20.78 C
ATOM 1007 CD ARG B 8 6.989 9.184 12.246 1.00 19.38 C
ATOM 1008 NE ARG B 8 5.964 8.884 11.248 1.00 23.77 N
ATOM 1009 CZ ARG B 8 6.200 9.087 9.952 1.00 23.03 C
ATOM 1010 NH1 ARG B 8 7.420 9.463 9.550 1.00 24.02 N
ATOM 1011 NH2 ARG B 8 5.181 8.926 9.110 1.00 21.43 N
ATOM 1012 H ARG B 8 6.065 12.566 14.266 1.00 15.00 H
ATOM 1013 HE ARG B 8 5.068 8.556 11.548 1.00 15.00 H
ATOM 1014 HH11 ARG B 8 8.142 9.540 10.237 1.00 0.00 H
ATOM 1015 HH12 ARG B 8 7.663 9.681 8.607 1.00 0.00 H
ATOM 1016 HH21 ARG B 8 4.314 8.595 9.481 1.00 0.00 H
ATOM 1017 HH22 ARG B 8 5.237 9.123 8.131 1.00 0.00 H
ATOM 1018 N PRO B 9 7.716 10.389 17.787 1.00 17.87 N
ATOM 1019 CA PRO B 9 8.718 10.646 18.832 1.00 18.14 C
ATOM 1020 C PRO B 9 10.138 10.250 18.492 1.00 17.76 C
ATOM 1021 O PRO B 9 10.689 9.305 19.016 1.00 18.06 O
ATOM 1022 CB PRO B 9 8.094 9.873 20.011 1.00 18.53 C
ATOM 1023 CG PRO B 9 7.318 8.726 19.398 1.00 16.28 C
ATOM 1024 CD PRO B 9 6.743 9.379 18.162 1.00 16.54 C
ATOM 1025 N LEU B 10 10.722 11.015 17.570 1.00 18.72 N
ATOM 1026 CA LEU B 10 12.150 10.840 17.183 1.00 23.49 C
ATOM 1027 C LEU B 10 13.177 11.550 18.062 1.00 24.64 C
ATOM 1028 O LEU B 10 13.128 12.742 18.316 1.00 27.96 O
ATOM 1029 CB LEU B 10 12.401 11.268 15.717 1.00 22.39 C
ATOM 1030 CG LEU B 10 11.576 10.409 14.752 1.00 24.75 C
ATOM 1031 CD1 LEU B 10 11.453 11.097 13.401 1.00 31.34 C
ATOM 1032 CD2 LEU B 10 12.155 9.012 14.615 1.00 25.31 C
ATOM 1033 H LEU B 10 10.171 11.762 17.194 1.00 15.00 H
ATOM 1034 N VAL B 11 14.112 10.782 18.557 1.00 24.01 N
ATOM 1035 CA VAL B 11 15.126 11.433 19.376 1.00 23.09 C
ATOM 1036 C VAL B 11 16.507 11.049 18.885 1.00 24.63 C
ATOM 1037 O VAL B 11 16.646 10.108 18.114 1.00 24.02 O
ATOM 1038 CB VAL B 11 14.965 11.013 20.856 1.00 22.95 C
ATOM 1039 CG1 VAL B 11 13.617 11.464 21.399 1.00 21.99 C
ATOM 1040 CG2 VAL B 11 15.251 9.531 21.109 1.00 20.27 C
ATOM 1041 H VAL B 11 14.096 9.794 18.379 1.00 15.00 H
ATOM 1042 N THR B 12 17.525 11.771 19.377 1.00 25.94 N
ATOM 1043 CA THR B 12 18.930 11.344 19.109 1.00 27.08 C
ATOM 1044 C THR B 12 19.483 10.291 20.019 1.00 26.05 C
ATOM 1045 O THR B 12 19.451 10.373 21.238 1.00 28.02 O
ATOM 1046 CB THR B 12 19.971 12.495 19.163 1.00 28.25 C
ATOM 1047 OG1 THR B 12 19.562 13.547 18.293 1.00 31.87 O
ATOM 1048 CG2 THR B 12 21.383 12.083 18.750 1.00 28.63 C
ATOM 1049 H THR B 12 17.318 12.583 19.915 1.00 15.00 H
ATOM 1050 HG1 THR B 12 20.248 14.219 18.236 1.00 15.00 H
ATOM 1051 N ILE B 13 20.047 9.293 19.380 1.00 25.79 N
ATOM 1052 CA ILE B 13 20.765 8.302 20.165 1.00 25.20 C
ATOM 1053 C ILE B 13 22.246 8.272 19.802 1.00 29.02 C
ATOM 1054 O ILE B 13 22.694 8.576 18.706 1.00 28.99 O
ATOM 1055 CB ILE B 13 20.125 6.906 19.979 1.00 23.36 C
ATOM 1056 CG1 ILE B 13 20.276 6.421 18.531 1.00 22.20 C
ATOM 1057 CG2 ILE B 13 18.646 6.918 20.409 1.00 18.49 C
ATOM 1058 CD1 ILE B 13 20.176 4.915 18.316 1.00 22.44 C
ATOM 1059 H ILE B 13 20.001 9.258 18.379 1.00 15.00 H
ATOM 1060 N LYS B 14 23.013 7.887 20.780 1.00 31.62 N
ATOM 1061 CA LYS B 14 24.406 7.634 20.456 1.00 35.97 C
ATOM 1062 C LYS B 14 24.705 6.144 20.539 1.00 36.18 C
ATOM 1063 O LYS B 14 24.410 5.447 21.503 1.00 34.56 O
ATOM 1064 CB LYS B 14 25.348 8.464 21.363 1.00 42.19 C
ATOM 1065 CG LYS B 14 25.002 9.948 21.697 1.00 51.01 C
ATOM 1066 CD LYS B 14 23.940 10.165 22.822 1.00 58.33 C
ATOM 1067 CE LYS B 14 23.564 11.608 23.260 1.00 63.06 C
ATOM 1068 NZ LYS B 14 24.555 12.233 24.168 1.00 65.36 N
ATOM 1069 H LYS B 14 22.612 7.756 21.691 1.00 0.00 H
ATOM 1070 HZ1 LYS B 14 25.487 12.246 23.706 1.00 0.00 H
ATOM 1071 HZ2 LYS B 14 24.262 13.208 24.382 1.00 0.00 H
ATOM 1072 HZ3 LYS B 14 24.614 11.686 25.050 1.00 0.00 H
ATOM 1073 N ILE B 15 25.273 5.637 19.474 1.00 38.28 N
ATOM 1074 CA ILE B 15 25.653 4.224 19.471 1.00 41.86 C
ATOM 1075 C ILE B 15 26.984 4.023 18.767 1.00 45.72 C
ATOM 1076 O ILE B 15 27.296 4.659 17.782 1.00 47.90 O
ATOM 1077 CB ILE B 15 24.551 3.377 18.843 1.00 40.17 C
ATOM 1078 CG1 ILE B 15 24.993 1.917 18.832 1.00 42.75 C
ATOM 1079 CG2 ILE B 15 24.181 3.870 17.443 1.00 41.14 C
ATOM 1080 CD1 ILE B 15 24.063 0.950 18.113 1.00 43.05 C
ATOM 1081 H ILE B 15 25.392 6.221 18.665 1.00 15.00 H
ATOM 1082 N GLY B 16 27.848 3.194 19.330 1.00 50.22 N
ATOM 1083 CA GLY B 16 29.251 3.208 18.845 1.00 52.01 C
ATOM 1084 C GLY B 16 29.949 4.580 18.744 1.00 52.91 C
ATOM 1085 O GLY B 16 30.737 4.845 17.854 1.00 55.36 O
ATOM 1086 H GLY B 16 27.551 2.626 20.096 1.00 15.00 H
ATOM 1087 N GLY B 17 29.592 5.502 19.641 1.00 53.80 N
ATOM 1088 CA GLY B 17 30.106 6.870 19.437 1.00 54.16 C
ATOM 1089 C GLY B 17 29.610 7.672 18.220 1.00 55.59 C
ATOM 1090 O GLY B 17 29.957 8.822 17.992 1.00 55.83 O
ATOM 1091 H GLY B 17 28.985 5.260 20.402 1.00 15.00 H
ATOM 1092 N GLN B 18 28.713 7.040 17.457 1.00 55.45 N
ATOM 1093 CA GLN B 18 27.943 7.826 16.477 1.00 54.76 C
ATOM 1094 C GLN B 18 26.486 8.175 16.838 1.00 52.28 C
ATOM 1095 O GLN B 18 25.737 7.445 17.472 1.00 51.19 O
ATOM 1096 CB GLN B 18 28.039 7.169 15.085 1.00 57.07 C
ATOM 1097 CG GLN B 18 27.386 5.798 14.932 1.00 60.51 C
ATOM 1098 CD GLN B 18 27.747 5.178 13.606 1.00 63.45 C
ATOM 1099 OE1 GLN B 18 28.399 5.707 12.728 1.00 66.43 O
ATOM 1100 NE2 GLN B 18 27.309 3.965 13.448 1.00 64.74 N
ATOM 1101 H GLN B 18 28.491 6.078 17.616 1.00 15.00 H
ATOM 1102 HE21 GLN B 18 27.576 3.483 12.623 1.00 0.00 H
ATOM 1103 HE22 GLN B 18 26.732 3.543 14.138 1.00 0.00 H
ATOM 1104 N LEU B 19 26.124 9.378 16.417 1.00 48.93 N
ATOM 1105 CA LEU B 19 24.758 9.860 16.637 1.00 46.42 C
ATOM 1106 C LEU B 19 23.785 9.407 15.570 1.00 44.00 C
ATOM 1107 O LEU B 19 24.042 9.508 14.386 1.00 45.82 O
ATOM 1108 CB LEU B 19 24.686 11.397 16.626 1.00 46.67 C
ATOM 1109 CG LEU B 19 25.176 12.152 17.864 1.00 47.26 C
ATOM 1110 CD1 LEU B 19 26.683 12.069 18.002 1.00 49.38 C
ATOM 1111 CD2 LEU B 19 24.744 13.617 17.801 1.00 48.59 C
ATOM 1112 H LEU B 19 26.765 9.913 15.873 1.00 15.00 H
ATOM 1113 N LYS B 20 22.638 8.928 16.004 1.00 40.29 N
ATOM 1114 CA LYS B 20 21.544 8.646 15.060 1.00 34.40 C
ATOM 1115 C LYS B 20 20.178 9.110 15.529 1.00 31.41 C
ATOM 1116 O LYS B 20 19.947 9.427 16.682 1.00 30.75 O
ATOM 1117 CB LYS B 20 21.490 7.141 14.817 1.00 35.39 C
ATOM 1118 CG LYS B 20 22.632 6.614 13.962 1.00 38.95 C
ATOM 1119 CD LYS B 20 22.647 5.089 13.904 1.00 46.08 C
ATOM 1120 CE LYS B 20 23.316 4.523 12.636 1.00 50.51 C
ATOM 1121 NZ LYS B 20 24.633 5.146 12.403 1.00 55.85 N
ATOM 1122 H LYS B 20 22.535 8.777 16.990 1.00 15.00 H
ATOM 1123 HZ1 LYS B 20 25.226 5.030 13.249 1.00 15.00 H
ATOM 1124 HZ2 LYS B 20 25.093 4.689 11.590 1.00 15.00 H
ATOM 1125 HZ3 LYS B 20 24.509 6.159 12.204 1.00 15.00 H
ATOM 1126 N GLU B 21 19.233 9.128 14.623 1.00 29.28 N
ATOM 1127 CA GLU B 21 17.897 9.328 15.182 1.00 30.30 C
ATOM 1128 C GLU B 21 17.033 8.070 15.220 1.00 28.83 C
ATOM 1129 O GLU B 21 17.114 7.175 14.378 1.00 27.30 O
ATOM 1130 CB GLU B 21 17.125 10.458 14.497 1.00 36.99 C
ATOM 1131 CG GLU B 21 16.549 10.078 13.121 1.00 47.88 C
ATOM 1132 CD GLU B 21 15.573 11.134 12.611 1.00 53.92 C
ATOM 1133 OE1 GLU B 21 15.215 12.036 13.382 1.00 57.19 O
ATOM 1134 OE2 GLU B 21 15.171 11.046 11.439 1.00 56.46 O
ATOM 1135 H GLU B 21 19.425 8.913 13.662 1.00 15.00 H
ATOM 1136 N ALA B 22 16.221 8.024 16.268 1.00 23.95 N
ATOM 1137 CA ALA B 22 15.423 6.826 16.524 1.00 20.36 C
ATOM 1138 C ALA B 22 14.055 7.119 17.121 1.00 19.24 C
ATOM 1139 O ALA B 22 13.828 8.119 17.783 1.00 21.32 O
ATOM 1140 CB ALA B 22 16.206 5.865 17.418 1.00 17.58 C
ATOM 1141 H ALA B 22 16.252 8.782 16.929 1.00 15.00 H
ATOM 1142 N LEU B 23 13.136 6.225 16.822 1.00 17.35 N
ATOM 1143 CA LEU B 23 11.727 6.346 17.244 1.00 14.61 C
ATOM 1144 C LEU B 23 11.502 5.693 18.610 1.00 15.40 C
ATOM 1145 O LEU B 23 11.741 4.504 18.777 1.00 14.72 O
ATOM 1146 CB LEU B 23 10.899 5.582 16.187 1.00 14.93 C
ATOM 1147 CG LEU B 23 9.380 5.676 16.319 1.00 18.29 C
ATOM 1148 CD1 LEU B 23 8.859 7.021 15.847 1.00 19.80 C
ATOM 1149 CD2 LEU B 23 8.699 4.546 15.546 1.00 19.00 C
ATOM 1150 H LEU B 23 13.413 5.417 16.298 1.00 15.00 H
ATOM 1151 N LEU B 24 11.031 6.483 19.574 1.00 14.37 N
ATOM 1152 CA LEU B 24 10.628 5.848 20.835 1.00 15.97 C
ATOM 1153 C LEU B 24 9.295 5.128 20.756 1.00 15.83 C
ATOM 1154 O LEU B 24 8.233 5.697 20.569 1.00 17.35 O
ATOM 1155 CB LEU B 24 10.587 6.854 22.001 1.00 15.23 C
ATOM 1156 CG LEU B 24 11.845 7.699 22.108 1.00 13.88 C
ATOM 1157 CD1 LEU B 24 11.593 8.839 23.074 1.00 15.41 C
ATOM 1158 CD2 LEU B 24 13.081 6.873 22.437 1.00 15.02 C
ATOM 1159 H LEU B 24 10.926 7.468 19.399 1.00 15.00 H
ATOM 1160 N ASP B 25 9.400 3.813 20.854 1.00 14.35 N
ATOM 1161 CA ASP B 25 8.249 3.007 20.515 1.00 15.09 C
ATOM 1162 C ASP B 25 7.755 2.089 21.615 1.00 15.29 C
ATOM 1163 O ASP B 25 8.260 1.021 21.906 1.00 16.52 O
ATOM 1164 CB ASP B 25 8.674 2.247 19.254 1.00 15.88 C
ATOM 1165 CG ASP B 25 7.549 1.481 18.605 1.00 16.67 C
ATOM 1166 OD1 ASP B 25 6.376 1.543 19.029 1.00 17.60 O
ATOM 1167 OD2 ASP B 25 7.890 0.802 17.648 1.00 20.40 O
ATOM 1168 H ASP B 25 10.292 3.381 21.033 1.00 15.00 H
ATOM 1169 N THR B 26 6.649 2.506 22.199 1.00 14.61 N
ATOM 1170 CA THR B 26 6.076 1.646 23.242 1.00 14.22 C
ATOM 1171 C THR B 26 5.381 0.389 22.804 1.00 15.45 C
ATOM 1172 O THR B 26 5.078 -0.491 23.584 1.00 15.74 O
ATOM 1173 CB THR B 26 5.088 2.408 24.107 1.00 14.52 C
ATOM 1174 OG1 THR B 26 3.978 2.800 23.322 1.00 15.63 O
ATOM 1175 CG2 THR B 26 5.749 3.639 24.721 1.00 13.20 C
ATOM 1176 H THR B 26 6.282 3.420 22.004 1.00 15.00 H
ATOM 1177 HG1 THR B 26 3.168 2.444 23.718 1.00 15.00 H
ATOM 1178 N GLY B 27 5.132 0.307 21.499 1.00 14.11 N
ATOM 1179 CA GLY B 27 4.572 -0.936 20.935 1.00 15.58 C
ATOM 1180 C GLY B 27 5.544 -2.001 20.363 1.00 17.56 C
ATOM 1181 O GLY B 27 5.170 -3.060 19.895 1.00 21.31 O
ATOM 1182 H GLY B 27 5.358 1.095 20.932 1.00 15.00 H
ATOM 1183 N ALA B 28 6.830 -1.696 20.444 1.00 14.42 N
ATOM 1184 CA ALA B 28 7.862 -2.675 20.073 1.00 14.12 C
ATOM 1185 C ALA B 28 8.378 -3.425 21.304 1.00 15.54 C
ATOM 1186 O ALA B 28 8.817 -2.839 22.290 1.00 17.70 O
ATOM 1187 CB ALA B 28 9.048 -1.959 19.404 1.00 8.74 C
ATOM 1188 H ALA B 28 7.106 -0.839 20.879 1.00 15.00 H
ATOM 1189 N ASP B 29 8.354 -4.740 21.259 1.00 13.15 N
ATOM 1190 CA ASP B 29 9.060 -5.377 22.393 1.00 14.28 C
ATOM 1191 C ASP B 29 10.588 -5.245 22.383 1.00 16.81 C
ATOM 1192 O ASP B 29 11.299 -5.265 23.382 1.00 17.39 O
ATOM 1193 CB ASP B 29 8.858 -6.894 22.405 1.00 15.75 C
ATOM 1194 CG ASP B 29 7.474 -7.361 22.685 1.00 15.71 C
ATOM 1195 OD1 ASP B 29 6.606 -6.554 23.026 1.00 19.28 O
ATOM 1196 OD2 ASP B 29 7.285 -8.570 22.590 1.00 18.18 O
ATOM 1197 H ASP B 29 7.851 -5.197 20.515 1.00 15.00 H
ATOM 1198 N ASP B 30 11.074 -5.141 21.156 1.00 17.17 N
ATOM 1199 CA ASP B 30 12.502 -5.172 20.841 1.00 17.85 C
ATOM 1200 C ASP B 30 12.982 -3.865 20.277 1.00 17.39 C
ATOM 1201 O ASP B 30 12.203 -3.041 19.828 1.00 18.49 O
ATOM 1202 CB ASP B 30 12.774 -6.216 19.748 1.00 22.58 C
ATOM 1203 CG ASP B 30 12.507 -7.612 20.269 1.00 30.07 C
ATOM 1204 OD1 ASP B 30 13.152 -8.016 21.254 1.00 35.29 O
ATOM 1205 OD2 ASP B 30 11.644 -8.287 19.694 1.00 32.06 O
ATOM 1206 H ASP B 30 10.421 -5.002 20.416 1.00 15.00 H
ATOM 1207 N THR B 31 14.301 -3.741 20.298 1.00 16.19 N
ATOM 1208 CA THR B 31 14.977 -2.650 19.614 1.00 14.50 C
ATOM 1209 C THR B 31 15.572 -3.092 18.293 1.00 15.46 C
ATOM 1210 O THR B 31 16.299 -4.073 18.205 1.00 13.99 O
ATOM 1211 CB THR B 31 16.061 -2.048 20.526 1.00 15.45 C
ATOM 1212 OG1 THR B 31 15.380 -1.458 21.640 1.00 14.22 O
ATOM 1213 CG2 THR B 31 16.963 -0.985 19.858 1.00 13.88 C
ATOM 1214 H THR B 31 14.814 -4.481 20.735 1.00 15.00 H
ATOM 1215 HG1 THR B 31 15.038 -2.150 22.225 1.00 15.00 H
ATOM 1216 N VAL B 32 15.198 -2.334 17.257 1.00 15.47 N
ATOM 1217 CA VAL B 32 15.651 -2.643 15.885 1.00 16.44 C
ATOM 1218 C VAL B 32 16.324 -1.465 15.181 1.00 16.80 C
ATOM 1219 O VAL B 32 15.773 -0.384 15.019 1.00 16.50 O
ATOM 1220 CB VAL B 32 14.494 -3.150 15.001 1.00 15.97 C
ATOM 1221 CG1 VAL B 32 15.041 -3.681 13.661 1.00 20.81 C
ATOM 1222 CG2 VAL B 32 13.688 -4.268 15.654 1.00 17.71 C
ATOM 1223 H VAL B 32 14.631 -1.528 17.446 1.00 15.00 H
ATOM 1224 N LEU B 33 17.572 -1.694 14.804 1.00 15.98 N
ATOM 1225 CA LEU B 33 18.335 -0.620 14.173 1.00 17.26 C
ATOM 1226 C LEU B 33 18.650 -0.882 12.714 1.00 19.49 C
ATOM 1227 O LEU B 33 18.729 -2.021 12.283 1.00 18.48 O
ATOM 1228 CB LEU B 33 19.691 -0.414 14.820 1.00 18.66 C
ATOM 1229 CG LEU B 33 19.649 -0.154 16.318 1.00 23.81 C
ATOM 1230 CD1 LEU B 33 21.070 0.119 16.750 1.00 25.94 C
ATOM 1231 CD2 LEU B 33 18.734 1.011 16.705 1.00 25.06 C
ATOM 1232 H LEU B 33 17.960 -2.614 14.908 1.00 15.00 H
ATOM 1233 N GLU B 34 18.816 0.210 11.969 1.00 20.07 N
ATOM 1234 CA GLU B 34 19.234 0.099 10.569 1.00 23.73 C
ATOM 1235 C GLU B 34 20.545 -0.652 10.417 1.00 24.83 C
ATOM 1236 O GLU B 34 21.420 -0.745 11.280 1.00 21.85 O
ATOM 1237 CB GLU B 34 19.407 1.498 9.951 1.00 28.18 C
ATOM 1238 CG GLU B 34 20.582 2.223 10.660 1.00 39.02 C
ATOM 1239 CD GLU B 34 20.903 3.622 10.158 1.00 43.47 C
ATOM 1240 OE1 GLU B 34 20.214 4.575 10.540 1.00 45.51 O
ATOM 1241 OE2 GLU B 34 21.881 3.756 9.417 1.00 48.37 O
ATOM 1242 H GLU B 34 18.715 1.100 12.421 1.00 15.00 H
ATOM 1243 N GLU B 35 20.661 -1.205 9.229 1.00 26.03 N
ATOM 1244 CA GLU B 35 21.894 -1.934 8.968 1.00 27.61 C
ATOM 1245 C GLU B 35 23.193 -1.150 9.262 1.00 27.60 C
ATOM 1246 O GLU B 35 23.420 0.000 8.924 1.00 26.05 O
ATOM 1247 CB GLU B 35 21.746 -2.464 7.533 1.00 30.92 C
ATOM 1248 CG GLU B 35 22.825 -3.396 7.023 1.00 32.11 C
ATOM 1249 CD GLU B 35 22.813 -4.637 7.854 1.00 34.47 C
ATOM 1250 OE1 GLU B 35 21.765 -5.269 7.975 1.00 33.82 O
ATOM 1251 OE2 GLU B 35 23.874 -4.960 8.378 1.00 39.04 O
ATOM 1252 H GLU B 35 19.889 -1.152 8.590 1.00 15.00 H
ATOM 1253 N MET B 36 24.026 -1.847 10.013 1.00 28.33 N
ATOM 1254 CA MET B 36 25.357 -1.350 10.383 1.00 31.03 C
ATOM 1255 C MET B 36 26.233 -2.476 10.877 1.00 30.62 C
ATOM 1256 O MET B 36 25.775 -3.544 11.262 1.00 28.27 O
ATOM 1257 CB MET B 36 25.294 -0.261 11.464 1.00 33.94 C
ATOM 1258 CG MET B 36 24.675 -0.683 12.806 1.00 41.05 C
ATOM 1259 SD MET B 36 24.317 0.725 13.884 1.00 43.55 S
ATOM 1260 CE MET B 36 26.024 1.184 14.202 1.00 45.92 C
ATOM 1261 H MET B 36 23.651 -2.653 10.460 1.00 15.00 H
ATOM 1262 N SER B 37 27.527 -2.245 10.810 1.00 33.31 N
ATOM 1263 CA SER B 37 28.397 -3.384 11.159 1.00 36.66 C
ATOM 1264 C SER B 37 29.134 -3.251 12.452 1.00 36.09 C
ATOM 1265 O SER B 37 30.290 -2.885 12.557 1.00 38.36 O
ATOM 1266 CB SER B 37 29.432 -3.705 10.078 1.00 39.08 C
ATOM 1267 OG SER B 37 30.007 -2.480 9.608 1.00 44.49 O
ATOM 1268 H SER B 37 27.904 -1.392 10.458 1.00 0.00 H
ATOM 1269 HG SER B 37 30.867 -2.313 10.024 1.00 0.00 H
ATOM 1270 N LEU B 38 28.379 -3.613 13.451 1.00 35.19 N
ATOM 1271 CA LEU B 38 28.919 -3.787 14.793 1.00 34.52 C
ATOM 1272 C LEU B 38 29.894 -4.949 14.906 1.00 35.74 C
ATOM 1273 O LEU B 38 29.648 -6.019 14.350 1.00 34.28 O
ATOM 1274 CB LEU B 38 27.753 -4.077 15.727 1.00 33.65 C
ATOM 1275 CG LEU B 38 26.793 -2.899 15.863 1.00 34.50 C
ATOM 1276 CD1 LEU B 38 25.521 -3.309 16.620 1.00 33.61 C
ATOM 1277 CD2 LEU B 38 27.520 -1.685 16.459 1.00 34.16 C
ATOM 1278 H LEU B 38 27.440 -3.891 13.262 1.00 15.00 H
ATOM 1279 N PRO B 39 30.994 -4.694 15.648 1.00 36.84 N
ATOM 1280 CA PRO B 39 31.801 -5.814 16.111 1.00 37.58 C
ATOM 1281 C PRO B 39 31.047 -6.622 17.159 1.00 38.47 C
ATOM 1282 O PRO B 39 30.112 -6.210 17.849 1.00 38.62 O
ATOM 1283 CB PRO B 39 33.049 -5.102 16.668 1.00 36.48 C
ATOM 1284 CG PRO B 39 32.573 -3.765 17.182 1.00 35.67 C
ATOM 1285 CD PRO B 39 31.481 -3.407 16.173 1.00 37.70 C
ATOM 1286 N GLY B 40 31.496 -7.852 17.238 1.00 39.13 N
ATOM 1287 CA GLY B 40 30.709 -8.693 18.115 1.00 41.22 C
ATOM 1288 C GLY B 40 30.154 -9.920 17.448 1.00 43.72 C
ATOM 1289 O GLY B 40 30.077 -10.101 16.246 1.00 44.05 O
ATOM 1290 H GLY B 40 32.265 -8.146 16.670 1.00 15.00 H
ATOM 1291 N ARG B 41 29.784 -10.818 18.325 1.00 45.31 N
ATOM 1292 CA ARG B 41 29.124 -11.998 17.777 1.00 46.63 C
ATOM 1293 C ARG B 41 27.617 -11.755 17.566 1.00 43.42 C
ATOM 1294 O ARG B 41 26.987 -10.994 18.282 1.00 43.37 O
ATOM 1295 CB ARG B 41 29.373 -13.166 18.757 1.00 52.67 C
ATOM 1296 CG ARG B 41 30.849 -13.367 19.142 1.00 59.19 C
ATOM 1297 CD ARG B 41 31.220 -12.842 20.540 1.00 65.64 C
ATOM 1298 NE ARG B 41 32.630 -12.436 20.567 1.00 69.32 N
ATOM 1299 CZ ARG B 41 32.933 -11.139 20.696 1.00 70.53 C
ATOM 1300 NH1 ARG B 41 31.994 -10.243 21.048 1.00 70.54 N
ATOM 1301 NH2 ARG B 41 34.195 -10.756 20.453 1.00 71.91 N
ATOM 1302 H ARG B 41 29.740 -10.597 19.294 1.00 0.00 H
ATOM 1303 HE ARG B 41 33.344 -13.111 20.382 1.00 0.00 H
ATOM 1304 HH11 ARG B 41 31.055 -10.539 21.224 1.00 0.00 H
ATOM 1305 HH12 ARG B 41 32.229 -9.269 21.135 1.00 0.00 H
ATOM 1306 HH21 ARG B 41 34.868 -11.452 20.205 1.00 0.00 H
ATOM 1307 HH22 ARG B 41 34.485 -9.788 20.509 1.00 0.00 H
ATOM 1308 N TRP B 42 27.053 -12.419 16.581 1.00 39.75 N
ATOM 1309 CA TRP B 42 25.604 -12.269 16.472 1.00 37.55 C
ATOM 1310 C TRP B 42 24.818 -13.564 16.313 1.00 35.39 C
ATOM 1311 O TRP B 42 25.334 -14.613 15.992 1.00 36.46 O
ATOM 1312 CB TRP B 42 25.274 -11.248 15.370 1.00 37.24 C
ATOM 1313 CG TRP B 42 25.788 -11.675 14.018 1.00 40.31 C
ATOM 1314 CD1 TRP B 42 27.020 -11.307 13.459 1.00 41.97 C
ATOM 1315 CD2 TRP B 42 25.166 -12.507 13.065 1.00 40.73 C
ATOM 1316 NE1 TRP B 42 27.216 -11.853 12.226 1.00 43.98 N
ATOM 1317 CE2 TRP B 42 26.110 -12.603 11.921 1.00 42.29 C
ATOM 1318 CE3 TRP B 42 23.932 -13.176 12.991 1.00 41.69 C
ATOM 1319 CZ2 TRP B 42 25.741 -13.365 10.799 1.00 42.63 C
ATOM 1320 CZ3 TRP B 42 23.598 -13.927 11.849 1.00 42.12 C
ATOM 1321 CH2 TRP B 42 24.489 -14.020 10.766 1.00 43.16 C
ATOM 1322 H TRP B 42 27.587 -12.982 15.957 1.00 15.00 H
ATOM 1323 HE1 TRP B 42 28.001 -11.707 11.659 1.00 15.00 H
ATOM 1324 N LYS B 43 23.533 -13.476 16.540 1.00 34.00 N
ATOM 1325 CA LYS B 43 22.685 -14.618 16.192 1.00 33.92 C
ATOM 1326 C LYS B 43 21.664 -14.214 15.164 1.00 32.42 C
ATOM 1327 O LYS B 43 21.158 -13.105 15.184 1.00 30.55 O
ATOM 1328 CB LYS B 43 21.872 -15.067 17.400 1.00 38.77 C
ATOM 1329 CG LYS B 43 22.714 -15.480 18.589 1.00 45.28 C
ATOM 1330 CD LYS B 43 21.949 -15.191 19.875 1.00 51.26 C
ATOM 1331 CE LYS B 43 22.878 -15.230 21.091 1.00 54.47 C
ATOM 1332 NZ LYS B 43 22.115 -14.861 22.297 1.00 60.16 N
ATOM 1333 H LYS B 43 23.180 -12.628 16.945 1.00 15.00 H
ATOM 1334 HZ1 LYS B 43 21.328 -15.528 22.428 1.00 15.00 H
ATOM 1335 HZ2 LYS B 43 22.744 -14.901 23.124 1.00 15.00 H
ATOM 1336 HZ3 LYS B 43 21.741 -13.896 22.193 1.00 15.00 H
ATOM 1337 N PRO B 44 21.349 -15.123 14.263 1.00 30.98 N
ATOM 1338 CA PRO B 44 20.285 -14.784 13.311 1.00 29.85 C
ATOM 1339 C PRO B 44 18.911 -14.818 13.970 1.00 28.31 C
ATOM 1340 O PRO B 44 18.632 -15.579 14.883 1.00 29.23 O
ATOM 1341 CB PRO B 44 20.475 -15.899 12.271 1.00 30.33 C
ATOM 1342 CG PRO B 44 20.961 -17.109 13.071 1.00 30.08 C
ATOM 1343 CD PRO B 44 21.860 -16.484 14.125 1.00 31.51 C
ATOM 1344 N LYS B 45 18.044 -13.964 13.480 1.00 25.93 N
ATOM 1345 CA LYS B 45 16.710 -13.983 14.082 1.00 24.97 C
ATOM 1346 C LYS B 45 15.621 -13.455 13.145 1.00 23.08 C
ATOM 1347 O LYS B 45 15.865 -12.679 12.240 1.00 20.96 O
ATOM 1348 CB LYS B 45 16.792 -13.137 15.370 1.00 27.44 C
ATOM 1349 CG LYS B 45 15.709 -13.470 16.372 1.00 32.42 C
ATOM 1350 CD LYS B 45 15.595 -12.387 17.431 1.00 38.13 C
ATOM 1351 CE LYS B 45 14.521 -12.772 18.443 1.00 42.26 C
ATOM 1352 NZ LYS B 45 14.496 -11.748 19.497 1.00 48.41 N
ATOM 1353 H LYS B 45 18.342 -13.236 12.857 1.00 15.00 H
ATOM 1354 HZ1 LYS B 45 15.436 -11.674 19.935 1.00 15.00 H
ATOM 1355 HZ2 LYS B 45 14.233 -10.831 19.081 1.00 15.00 H
ATOM 1356 HZ3 LYS B 45 13.796 -12.013 20.218 1.00 15.00 H
ATOM 1357 N MET B 46 14.391 -13.893 13.369 1.00 23.97 N
ATOM 1358 CA MET B 46 13.262 -13.293 12.631 1.00 25.49 C
ATOM 1359 C MET B 46 12.261 -12.533 13.489 1.00 25.42 C
ATOM 1360 O MET B 46 11.747 -13.046 14.478 1.00 25.91 O
ATOM 1361 CB MET B 46 12.532 -14.357 11.798 1.00 26.83 C
ATOM 1362 CG MET B 46 13.337 -14.345 10.492 1.00 29.61 C
ATOM 1363 SD MET B 46 13.031 -15.701 9.408 1.00 38.58 S
ATOM 1364 CE MET B 46 11.414 -15.225 8.761 1.00 30.39 C
ATOM 1365 H MET B 46 14.257 -14.582 14.086 1.00 15.00 H
ATOM 1366 N ILE B 47 12.026 -11.281 13.090 1.00 22.23 N
ATOM 1367 CA ILE B 47 10.983 -10.531 13.817 1.00 20.36 C
ATOM 1368 C ILE B 47 9.826 -10.051 12.963 1.00 17.62 C
ATOM 1369 O ILE B 47 9.935 -9.818 11.774 1.00 18.53 O
ATOM 1370 CB ILE B 47 11.531 -9.363 14.634 1.00 21.39 C
ATOM 1371 CG1 ILE B 47 12.597 -8.588 13.920 1.00 22.83 C
ATOM 1372 CG2 ILE B 47 11.978 -9.749 16.032 1.00 24.94 C
ATOM 1373 CD1 ILE B 47 11.907 -7.388 13.280 1.00 28.16 C
ATOM 1374 H ILE B 47 12.478 -10.932 12.264 1.00 15.00 H
ATOM 1375 N GLY B 48 8.684 -9.989 13.597 1.00 15.99 N
ATOM 1376 CA GLY B 48 7.481 -9.730 12.843 1.00 15.20 C
ATOM 1377 C GLY B 48 6.919 -8.370 13.101 1.00 17.12 C
ATOM 1378 O GLY B 48 7.176 -7.704 14.095 1.00 17.54 O
ATOM 1379 H GLY B 48 8.643 -10.159 14.583 1.00 15.00 H
ATOM 1380 N GLY B 49 6.115 -7.975 12.160 1.00 16.27 N
ATOM 1381 CA GLY B 49 5.476 -6.676 12.329 1.00 18.73 C
ATOM 1382 C GLY B 49 4.130 -6.673 11.661 1.00 20.54 C
ATOM 1383 O GLY B 49 3.561 -7.726 11.456 1.00 21.43 O
ATOM 1384 H GLY B 49 6.072 -8.503 11.309 1.00 15.00 H
ATOM 1385 N ILE B 50 3.609 -5.530 11.281 1.00 20.33 N
ATOM 1386 CA ILE B 50 2.256 -5.662 10.751 1.00 22.66 C
ATOM 1387 C ILE B 50 2.077 -6.490 9.448 1.00 23.68 C
ATOM 1388 O ILE B 50 1.107 -7.208 9.220 1.00 25.60 O
ATOM 1389 CB ILE B 50 1.607 -4.245 10.733 1.00 24.63 C
ATOM 1390 CG1 ILE B 50 0.091 -4.343 10.852 1.00 27.32 C
ATOM 1391 CG2 ILE B 50 2.001 -3.387 9.539 1.00 22.28 C
ATOM 1392 CD1 ILE B 50 -0.611 -3.039 11.165 1.00 30.11 C
ATOM 1393 H ILE B 50 4.085 -4.661 11.445 1.00 15.00 H
ATOM 1394 N GLY B 51 3.090 -6.393 8.586 1.00 22.33 N
ATOM 1395 CA GLY B 51 2.899 -7.037 7.279 1.00 23.13 C
ATOM 1396 C GLY B 51 3.589 -8.389 7.096 1.00 23.87 C
ATOM 1397 O GLY B 51 3.601 -8.981 6.038 1.00 25.77 O
ATOM 1398 H GLY B 51 3.928 -5.901 8.839 1.00 15.00 H
ATOM 1399 N GLY B 52 4.192 -8.871 8.168 1.00 21.26 N
ATOM 1400 CA GLY B 52 5.003 -10.073 8.059 1.00 18.92 C
ATOM 1401 C GLY B 52 6.336 -9.957 8.785 1.00 18.68 C
ATOM 1402 O GLY B 52 6.531 -9.151 9.681 1.00 16.81 O
ATOM 1403 H GLY B 52 4.096 -8.385 9.036 1.00 15.00 H
ATOM 1404 N PHE B 53 7.251 -10.813 8.393 1.00 18.57 N
ATOM 1405 CA PHE B 53 8.524 -10.946 9.137 1.00 19.13 C
ATOM 1406 C PHE B 53 9.756 -10.527 8.385 1.00 20.58 C
ATOM 1407 O PHE B 53 9.846 -10.615 7.177 1.00 23.17 O
ATOM 1408 CB PHE B 53 8.813 -12.406 9.535 1.00 15.80 C
ATOM 1409 CG PHE B 53 7.882 -12.919 10.595 1.00 16.73 C
ATOM 1410 CD1 PHE B 53 6.511 -13.129 10.316 1.00 17.12 C
ATOM 1411 CD2 PHE B 53 8.395 -13.127 11.887 1.00 15.33 C
ATOM 1412 CE1 PHE B 53 5.640 -13.544 11.341 1.00 16.71 C
ATOM 1413 CE2 PHE B 53 7.511 -13.539 12.908 1.00 18.47 C
ATOM 1414 CZ PHE B 53 6.138 -13.744 12.639 1.00 15.71 C
ATOM 1415 H PHE B 53 7.085 -11.380 7.588 1.00 15.00 H
ATOM 1416 N ILE B 54 10.751 -10.103 9.112 1.00 20.93 N
ATOM 1417 CA ILE B 54 12.009 -9.869 8.409 1.00 19.69 C
ATOM 1418 C ILE B 54 13.128 -10.534 9.141 1.00 20.89 C
ATOM 1419 O ILE B 54 13.031 -10.808 10.335 1.00 19.81 O
ATOM 1420 CB ILE B 54 12.350 -8.376 8.319 1.00 19.52 C
ATOM 1421 CG1 ILE B 54 12.464 -7.685 9.673 1.00 20.60 C
ATOM 1422 CG2 ILE B 54 11.379 -7.576 7.450 1.00 21.33 C
ATOM 1423 CD1 ILE B 54 12.992 -6.254 9.502 1.00 23.65 C
ATOM 1424 H ILE B 54 10.636 -9.969 10.100 1.00 15.00 H
ATOM 1425 N LYS B 55 14.203 -10.744 8.392 1.00 21.33 N
ATOM 1426 CA LYS B 55 15.393 -11.283 9.037 1.00 22.83 C
ATOM 1427 C LYS B 55 16.363 -10.250 9.560 1.00 23.13 C
ATOM 1428 O LYS B 55 16.721 -9.275 8.914 1.00 23.20 O
ATOM 1429 CB LYS B 55 16.156 -12.188 8.086 1.00 29.06 C
ATOM 1430 CG LYS B 55 15.355 -13.358 7.506 1.00 36.64 C
ATOM 1431 CD LYS B 55 16.232 -14.242 6.592 1.00 44.69 C
ATOM 1432 CE LYS B 55 15.507 -15.333 5.757 1.00 48.01 C
ATOM 1433 NZ LYS B 55 14.655 -14.770 4.687 1.00 50.11 N
ATOM 1434 H LYS B 55 14.197 -10.468 7.426 1.00 15.00 H
ATOM 1435 HZ1 LYS B 55 13.936 -14.148 5.107 1.00 15.00 H
ATOM 1436 HZ2 LYS B 55 15.243 -14.224 4.026 1.00 15.00 H
ATOM 1437 HZ3 LYS B 55 14.187 -15.546 4.176 1.00 15.00 H
ATOM 1438 N VAL B 56 16.791 -10.502 10.799 1.00 21.91 N
ATOM 1439 CA VAL B 56 17.748 -9.615 11.489 1.00 19.59 C
ATOM 1440 C VAL B 56 18.921 -10.330 12.159 1.00 19.84 C
ATOM 1441 O VAL B 56 18.907 -11.524 12.425 1.00 20.10 O
ATOM 1442 CB VAL B 56 16.992 -8.785 12.551 1.00 17.56 C
ATOM 1443 CG1 VAL B 56 15.948 -7.880 11.863 1.00 16.59 C
ATOM 1444 CG2 VAL B 56 16.364 -9.680 13.645 1.00 15.55 C
ATOM 1445 H VAL B 56 16.429 -11.308 11.274 1.00 15.00 H
ATOM 1446 N ARG B 57 19.944 -9.542 12.480 1.00 20.58 N
ATOM 1447 CA ARG B 57 20.991 -10.076 13.367 1.00 19.72 C
ATOM 1448 C ARG B 57 20.935 -9.533 14.785 1.00 21.06 C
ATOM 1449 O ARG B 57 20.812 -8.353 15.050 1.00 20.17 O
ATOM 1450 CB ARG B 57 22.375 -9.796 12.810 1.00 18.36 C
ATOM 1451 CG ARG B 57 22.397 -10.178 11.328 1.00 20.74 C
ATOM 1452 CD ARG B 57 23.734 -9.981 10.621 1.00 25.64 C
ATOM 1453 NE ARG B 57 24.365 -8.690 10.908 1.00 27.80 N
ATOM 1454 CZ ARG B 57 24.071 -7.549 10.254 1.00 29.33 C
ATOM 1455 NH1 ARG B 57 23.128 -7.569 9.283 1.00 28.47 N
ATOM 1456 NH2 ARG B 57 24.752 -6.448 10.643 1.00 26.22 N
ATOM 1457 H ARG B 57 19.934 -8.590 12.161 1.00 15.00 H
ATOM 1458 HE ARG B 57 25.038 -8.659 11.647 1.00 15.00 H
ATOM 1459 HH11 ARG B 57 22.705 -8.445 9.050 1.00 0.00 H
ATOM 1460 HH12 ARG B 57 22.821 -6.759 8.790 1.00 0.00 H
ATOM 1461 HH21 ARG B 57 25.452 -6.577 11.346 1.00 0.00 H
ATOM 1462 HH22 ARG B 57 24.616 -5.518 10.302 1.00 0.00 H
ATOM 1463 N GLN B 58 20.984 -10.467 15.705 1.00 21.47 N
ATOM 1464 CA GLN B 58 20.904 -10.160 17.138 1.00 23.59 C
ATOM 1465 C GLN B 58 22.256 -9.994 17.847 1.00 24.05 C
ATOM 1466 O GLN B 58 23.054 -10.907 17.968 1.00 24.41 O
ATOM 1467 CB GLN B 58 20.125 -11.288 17.830 1.00 21.35 C
ATOM 1468 CG GLN B 58 19.909 -10.931 19.279 1.00 24.42 C
ATOM 1469 CD GLN B 58 19.322 -12.061 20.050 1.00 28.04 C
ATOM 1470 OE1 GLN B 58 19.716 -12.372 21.150 1.00 34.70 O
ATOM 1471 NE2 GLN B 58 18.295 -12.663 19.533 1.00 30.32 N
ATOM 1472 H GLN B 58 21.082 -11.417 15.401 1.00 15.00 H
ATOM 1473 HE21 GLN B 58 17.840 -13.336 20.100 1.00 0.00 H
ATOM 1474 HE22 GLN B 58 17.986 -12.497 18.601 1.00 0.00 H
ATOM 1475 N TYR B 59 22.434 -8.788 18.354 1.00 24.85 N
ATOM 1476 CA TYR B 59 23.576 -8.463 19.213 1.00 25.95 C
ATOM 1477 C TYR B 59 23.171 -8.246 20.680 1.00 27.01 C
ATOM 1478 O TYR B 59 22.213 -7.562 21.022 1.00 26.97 O
ATOM 1479 CB TYR B 59 24.238 -7.172 18.681 1.00 26.31 C
ATOM 1480 CG TYR B 59 24.807 -7.289 17.265 1.00 28.82 C
ATOM 1481 CD1 TYR B 59 23.987 -6.995 16.155 1.00 26.81 C
ATOM 1482 CD2 TYR B 59 26.160 -7.668 17.064 1.00 29.08 C
ATOM 1483 CE1 TYR B 59 24.497 -7.070 14.850 1.00 29.96 C
ATOM 1484 CE2 TYR B 59 26.678 -7.746 15.759 1.00 31.39 C
ATOM 1485 CZ TYR B 59 25.840 -7.446 14.656 1.00 32.51 C
ATOM 1486 OH TYR B 59 26.331 -7.528 13.368 1.00 37.60 O
ATOM 1487 H TYR B 59 21.751 -8.076 18.165 1.00 15.00 H
ATOM 1488 HH TYR B 59 27.274 -7.723 13.442 1.00 15.00 H
ATOM 1489 N ASP B 60 23.920 -8.857 21.572 1.00 28.03 N
ATOM 1490 CA ASP B 60 23.588 -8.627 22.993 1.00 30.18 C
ATOM 1491 C ASP B 60 24.514 -7.674 23.700 1.00 29.96 C
ATOM 1492 O ASP B 60 25.626 -7.470 23.250 1.00 28.71 O
ATOM 1493 CB ASP B 60 23.654 -9.949 23.751 1.00 33.28 C
ATOM 1494 CG ASP B 60 22.603 -10.855 23.168 1.00 39.99 C
ATOM 1495 OD1 ASP B 60 21.448 -10.441 23.075 1.00 42.87 O
ATOM 1496 OD2 ASP B 60 22.939 -11.974 22.782 1.00 45.24 O
ATOM 1497 H ASP B 60 24.716 -9.378 21.278 1.00 15.00 H
ATOM 1498 N GLN B 61 24.062 -7.108 24.817 1.00 28.21 N
ATOM 1499 CA GLN B 61 24.929 -6.218 25.611 1.00 28.47 C
ATOM 1500 C GLN B 61 25.393 -4.930 24.973 1.00 27.25 C
ATOM 1501 O GLN B 61 26.453 -4.417 25.280 1.00 28.59 O
ATOM 1502 CB GLN B 61 26.260 -6.878 26.022 1.00 33.74 C
ATOM 1503 CG GLN B 61 26.243 -8.258 26.667 1.00 39.66 C
ATOM 1504 CD GLN B 61 25.983 -8.049 28.114 1.00 44.70 C
ATOM 1505 OE1 GLN B 61 24.871 -7.846 28.572 1.00 45.45 O
ATOM 1506 NE2 GLN B 61 27.074 -8.070 28.849 1.00 44.76 N
ATOM 1507 H GLN B 61 23.126 -7.308 25.107 1.00 15.00 H
ATOM 1508 HE21 GLN B 61 26.949 -7.898 29.821 1.00 0.00 H
ATOM 1509 HE22 GLN B 61 27.972 -8.225 28.456 1.00 0.00 H
ATOM 1510 N ILE B 62 24.598 -4.408 24.049 1.00 26.42 N
ATOM 1511 CA ILE B 62 24.997 -3.148 23.415 1.00 23.29 C
ATOM 1512 C ILE B 62 24.614 -1.945 24.288 1.00 23.70 C
ATOM 1513 O ILE B 62 23.505 -1.793 24.775 1.00 21.04 O
ATOM 1514 CB ILE B 62 24.362 -3.061 21.975 1.00 22.50 C
ATOM 1515 CG1 ILE B 62 24.707 -4.255 21.094 1.00 23.55 C
ATOM 1516 CG2 ILE B 62 24.688 -1.823 21.133 1.00 19.92 C
ATOM 1517 CD1 ILE B 62 26.188 -4.245 20.670 1.00 24.92 C
ATOM 1518 H ILE B 62 23.704 -4.823 23.869 1.00 15.00 H
ATOM 1519 N LEU B 63 25.588 -1.064 24.449 1.00 23.73 N
ATOM 1520 CA LEU B 63 25.302 0.240 25.057 1.00 25.09 C
ATOM 1521 C LEU B 63 24.758 1.255 24.075 1.00 24.35 C
ATOM 1522 O LEU B 63 25.352 1.628 23.077 1.00 23.63 O
ATOM 1523 CB LEU B 63 26.602 0.776 25.706 1.00 26.91 C
ATOM 1524 CG LEU B 63 26.625 2.093 26.541 1.00 28.69 C
ATOM 1525 CD1 LEU B 63 26.758 3.386 25.733 1.00 33.39 C
ATOM 1526 CD2 LEU B 63 25.439 2.211 27.474 1.00 29.16 C
ATOM 1527 H LEU B 63 26.476 -1.257 24.025 1.00 0.00 H
ATOM 1528 N ILE B 64 23.590 1.730 24.421 1.00 24.45 N
ATOM 1529 CA ILE B 64 23.061 2.881 23.684 1.00 26.65 C
ATOM 1530 C ILE B 64 22.801 4.024 24.636 1.00 27.12 C
ATOM 1531 O ILE B 64 22.374 3.872 25.765 1.00 31.75 O
ATOM 1532 CB ILE B 64 21.743 2.530 22.937 1.00 25.99 C
ATOM 1533 CG1 ILE B 64 21.927 1.399 21.928 1.00 26.08 C
ATOM 1534 CG2 ILE B 64 21.134 3.719 22.172 1.00 26.69 C
ATOM 1535 CD1 ILE B 64 20.654 1.123 21.131 1.00 27.40 C
ATOM 1536 H ILE B 64 23.126 1.336 25.221 1.00 0.00 H
ATOM 1537 N GLU B 65 23.059 5.201 24.164 1.00 26.17 N
ATOM 1538 CA GLU B 65 22.658 6.303 24.994 1.00 25.80 C
ATOM 1539 C GLU B 65 21.521 7.139 24.423 1.00 25.28 C
ATOM 1540 O GLU B 65 21.547 7.700 23.343 1.00 27.70 O
ATOM 1541 CB GLU B 65 23.941 7.047 25.272 1.00 29.78 C
ATOM 1542 CG GLU B 65 23.769 8.209 26.239 1.00 42.75 C
ATOM 1543 CD GLU B 65 25.118 8.856 26.547 1.00 49.95 C
ATOM 1544 OE1 GLU B 65 26.140 8.383 26.026 1.00 53.87 O
ATOM 1545 OE2 GLU B 65 25.144 9.829 27.321 1.00 53.94 O
ATOM 1546 H GLU B 65 23.461 5.292 23.249 1.00 15.00 H
ATOM 1547 N ILE B 66 20.463 7.198 25.178 1.00 24.01 N
ATOM 1548 CA ILE B 66 19.251 7.833 24.653 1.00 24.90 C
ATOM 1549 C ILE B 66 18.951 9.144 25.342 1.00 25.94 C
ATOM 1550 O ILE B 66 18.648 9.211 26.537 1.00 23.26 O
ATOM 1551 CB ILE B 66 18.077 6.861 24.864 1.00 26.12 C
ATOM 1552 CG1 ILE B 66 18.398 5.440 24.395 1.00 25.80 C
ATOM 1553 CG2 ILE B 66 16.717 7.332 24.276 1.00 25.96 C
ATOM 1554 CD1 ILE B 66 17.381 4.456 24.939 1.00 26.13 C
ATOM 1555 H ILE B 66 20.487 6.756 26.080 1.00 15.00 H
ATOM 1556 N CYS B 67 19.106 10.227 24.579 1.00 27.77 N
ATOM 1557 CA CYS B 67 18.976 11.561 25.253 1.00 33.22 C
ATOM 1558 C CYS B 67 19.703 11.695 26.607 1.00 33.23 C
ATOM 1559 O CYS B 67 19.174 12.058 27.650 1.00 32.05 O
ATOM 1560 CB CYS B 67 17.504 12.003 25.521 1.00 36.86 C
ATOM 1561 SG CYS B 67 16.475 12.448 24.078 1.00 41.71 S
ATOM 1562 H CYS B 67 19.243 10.124 23.589 1.00 15.00 H
ATOM 1563 N GLY B 68 20.971 11.285 26.556 1.00 34.13 N
ATOM 1564 CA GLY B 68 21.779 11.327 27.778 1.00 33.10 C
ATOM 1565 C GLY B 68 21.657 10.166 28.744 1.00 32.52 C
ATOM 1566 O GLY B 68 22.447 9.978 29.645 1.00 36.48 O
ATOM 1567 H GLY B 68 21.344 10.979 25.683 1.00 15.00 H
ATOM 1568 N HIS B 69 20.631 9.365 28.553 1.00 29.88 N
ATOM 1569 CA HIS B 69 20.490 8.197 29.436 1.00 28.08 C
ATOM 1570 C HIS B 69 21.039 6.902 28.900 1.00 26.52 C
ATOM 1571 O HIS B 69 20.663 6.457 27.830 1.00 26.19 O
ATOM 1572 CB HIS B 69 19.037 7.878 29.684 1.00 26.73 C
ATOM 1573 CG HIS B 69 18.383 9.049 30.322 1.00 28.00 C
ATOM 1574 ND1 HIS B 69 17.982 9.060 31.591 1.00 29.89 N
ATOM 1575 CD2 HIS B 69 18.060 10.261 29.723 1.00 27.83 C
ATOM 1576 CE1 HIS B 69 17.394 10.271 31.817 1.00 30.06 C
ATOM 1577 NE2 HIS B 69 17.447 11.006 30.670 1.00 30.20 N
ATOM 1578 H HIS B 69 20.008 9.518 27.782 1.00 15.00 H
ATOM 1579 HD1 HIS B 69 18.072 8.341 32.257 1.00 15.00 H
ATOM 1580 HE2 HIS B 69 17.121 11.919 30.552 1.00 15.00 H
ATOM 1581 N LYS B 70 21.921 6.291 29.655 1.00 24.94 N
ATOM 1582 CA LYS B 70 22.410 5.015 29.135 1.00 24.78 C
ATOM 1583 C LYS B 70 21.517 3.790 29.327 1.00 24.82 C
ATOM 1584 O LYS B 70 20.794 3.627 30.299 1.00 24.63 O
ATOM 1585 CB LYS B 70 23.797 4.742 29.685 1.00 24.68 C
ATOM 1586 CG LYS B 70 24.661 5.953 29.420 1.00 25.78 C
ATOM 1587 CD LYS B 70 26.075 5.636 29.824 1.00 30.03 C
ATOM 1588 CE LYS B 70 27.003 6.821 29.652 1.00 32.72 C
ATOM 1589 NZ LYS B 70 28.363 6.282 29.750 1.00 37.79 N
ATOM 1590 H LYS B 70 22.160 6.636 30.568 1.00 15.00 H
ATOM 1591 HZ1 LYS B 70 28.484 5.523 29.049 1.00 15.00 H
ATOM 1592 HZ2 LYS B 70 29.051 7.039 29.563 1.00 15.00 H
ATOM 1593 HZ3 LYS B 70 28.520 5.897 30.703 1.00 15.00 H
ATOM 1594 N ALA B 71 21.591 2.920 28.331 1.00 21.69 N
ATOM 1595 CA ALA B 71 20.872 1.663 28.458 1.00 23.01 C
ATOM 1596 C ALA B 71 21.728 0.584 27.825 1.00 22.74 C
ATOM 1597 O ALA B 71 22.520 0.820 26.926 1.00 25.71 O
ATOM 1598 CB ALA B 71 19.447 1.780 27.841 1.00 18.91 C
ATOM 1599 H ALA B 71 22.046 3.179 27.474 1.00 15.00 H
ATOM 1600 N ILE B 72 21.611 -0.605 28.347 1.00 22.08 N
ATOM 1601 CA ILE B 72 22.436 -1.670 27.799 1.00 22.83 C
ATOM 1602 C ILE B 72 21.599 -2.898 27.546 1.00 22.56 C
ATOM 1603 O ILE B 72 20.908 -3.406 28.407 1.00 24.89 O
ATOM 1604 CB ILE B 72 23.646 -2.032 28.709 1.00 24.72 C
ATOM 1605 CG1 ILE B 72 24.711 -0.947 28.873 1.00 26.21 C
ATOM 1606 CG2 ILE B 72 24.431 -3.242 28.204 1.00 25.26 C
ATOM 1607 CD1 ILE B 72 24.365 0.104 29.911 1.00 33.54 C
ATOM 1608 H ILE B 72 20.975 -0.742 29.113 1.00 15.00 H
ATOM 1609 N GLY B 73 21.642 -3.374 26.320 1.00 21.38 N
ATOM 1610 CA GLY B 73 20.831 -4.559 26.043 1.00 21.40 C
ATOM 1611 C GLY B 73 20.922 -5.154 24.649 1.00 20.57 C
ATOM 1612 O GLY B 73 21.839 -4.930 23.884 1.00 19.40 O
ATOM 1613 H GLY B 73 22.213 -2.908 25.636 1.00 15.00 H
ATOM 1614 N THR B 74 19.912 -5.938 24.347 1.00 20.58 N
ATOM 1615 CA THR B 74 19.905 -6.562 23.013 1.00 22.47 C
ATOM 1616 C THR B 74 19.380 -5.629 21.939 1.00 22.68 C
ATOM 1617 O THR B 74 18.333 -4.998 22.043 1.00 20.99 O
ATOM 1618 CB THR B 74 19.034 -7.819 22.973 1.00 22.53 C
ATOM 1619 OG1 THR B 74 19.517 -8.731 23.942 1.00 27.08 O
ATOM 1620 CG2 THR B 74 19.005 -8.550 21.648 1.00 22.10 C
ATOM 1621 H THR B 74 19.180 -6.080 25.010 1.00 15.00 H
ATOM 1622 HG1 THR B 74 19.370 -9.628 23.615 1.00 15.00 H
ATOM 1623 N VAL B 75 20.153 -5.593 20.872 1.00 21.82 N
ATOM 1624 CA VAL B 75 19.775 -4.842 19.675 1.00 22.44 C
ATOM 1625 C VAL B 75 19.716 -5.761 18.474 1.00 20.28 C
ATOM 1626 O VAL B 75 20.576 -6.596 18.279 1.00 18.47 O
ATOM 1627 CB VAL B 75 20.840 -3.770 19.480 1.00 25.57 C
ATOM 1628 CG1 VAL B 75 20.872 -3.228 18.056 1.00 28.58 C
ATOM 1629 CG2 VAL B 75 20.629 -2.664 20.521 1.00 24.42 C
ATOM 1630 H VAL B 75 21.005 -6.126 20.892 1.00 15.00 H
ATOM 1631 N LEU B 76 18.643 -5.589 17.709 1.00 19.47 N
ATOM 1632 CA LEU B 76 18.480 -6.309 16.432 1.00 20.17 C
ATOM 1633 C LEU B 76 18.822 -5.426 15.242 1.00 19.25 C
ATOM 1634 O LEU B 76 18.439 -4.271 15.153 1.00 19.53 O
ATOM 1635 CB LEU B 76 17.021 -6.789 16.241 1.00 17.39 C
ATOM 1636 CG LEU B 76 16.420 -7.555 17.425 1.00 19.09 C
ATOM 1637 CD1 LEU B 76 14.991 -7.935 17.084 1.00 20.77 C
ATOM 1638 CD2 LEU B 76 17.178 -8.831 17.774 1.00 20.17 C
ATOM 1639 H LEU B 76 17.956 -4.904 17.964 1.00 15.00 H
ATOM 1640 N VAL B 77 19.589 -5.980 14.340 1.00 19.11 N
ATOM 1641 CA VAL B 77 20.017 -5.148 13.211 1.00 18.79 C
ATOM 1642 C VAL B 77 19.534 -5.720 11.897 1.00 18.67 C
ATOM 1643 O VAL B 77 19.693 -6.891 11.604 1.00 15.83 O
ATOM 1644 CB VAL B 77 21.588 -5.026 13.214 1.00 20.46 C
ATOM 1645 CG1 VAL B 77 22.147 -4.320 11.986 1.00 20.34 C
ATOM 1646 CG2 VAL B 77 22.055 -4.244 14.444 1.00 18.75 C
ATOM 1647 H VAL B 77 19.944 -6.903 14.505 1.00 15.00 H
ATOM 1648 N GLY B 78 18.969 -4.853 11.096 1.00 19.22 N
ATOM 1649 CA GLY B 78 18.536 -5.321 9.785 1.00 21.59 C
ATOM 1650 C GLY B 78 17.972 -4.223 8.896 1.00 23.75 C
ATOM 1651 O GLY B 78 18.117 -3.041 9.159 1.00 22.90 O
ATOM 1652 H GLY B 78 18.850 -3.904 11.413 1.00 15.00 H
ATOM 1653 N PRO B 79 17.318 -4.646 7.804 1.00 26.68 N
ATOM 1654 CA PRO B 79 16.812 -3.653 6.819 1.00 26.00 C
ATOM 1655 C PRO B 79 15.555 -2.870 7.198 1.00 26.58 C
ATOM 1656 O PRO B 79 14.622 -2.754 6.424 1.00 30.92 O
ATOM 1657 CB PRO B 79 16.565 -4.559 5.603 1.00 25.79 C
ATOM 1658 CG PRO B 79 16.154 -5.909 6.212 1.00 26.27 C
ATOM 1659 CD PRO B 79 17.111 -6.051 7.391 1.00 23.61 C
ATOM 1660 N THR B 80 15.541 -2.285 8.387 1.00 25.73 N
ATOM 1661 CA THR B 80 14.426 -1.363 8.758 1.00 24.33 C
ATOM 1662 C THR B 80 14.495 0.058 8.157 1.00 23.41 C
ATOM 1663 O THR B 80 15.568 0.635 8.034 1.00 23.12 O
ATOM 1664 CB THR B 80 14.337 -1.279 10.327 1.00 23.27 C
ATOM 1665 OG1 THR B 80 13.228 -0.471 10.752 1.00 25.06 O
ATOM 1666 CG2 THR B 80 15.604 -0.740 10.965 1.00 18.88 C
ATOM 1667 H THR B 80 16.355 -2.395 8.963 1.00 15.00 H
ATOM 1668 HG1 THR B 80 13.461 0.005 11.569 1.00 15.00 H
ATOM 1669 N PRO B 81 13.344 0.639 7.785 1.00 24.73 N
ATOM 1670 CA PRO B 81 13.317 2.058 7.371 1.00 26.09 C
ATOM 1671 C PRO B 81 13.734 3.058 8.448 1.00 28.37 C
ATOM 1672 O PRO B 81 14.331 4.110 8.232 1.00 29.26 O
ATOM 1673 CB PRO B 81 11.842 2.328 7.095 1.00 27.14 C
ATOM 1674 CG PRO B 81 11.191 0.976 6.904 1.00 26.94 C
ATOM 1675 CD PRO B 81 12.026 0.018 7.745 1.00 26.37 C
ATOM 1676 N VAL B 82 13.358 2.675 9.673 1.00 26.11 N
ATOM 1677 CA VAL B 82 13.543 3.565 10.829 1.00 22.50 C
ATOM 1678 C VAL B 82 14.248 2.876 12.004 1.00 19.06 C
ATOM 1679 O VAL B 82 14.041 1.705 12.273 1.00 19.01 O
ATOM 1680 CB VAL B 82 12.124 4.086 11.154 1.00 21.94 C
ATOM 1681 CG1 VAL B 82 11.130 2.994 11.488 1.00 22.20 C
ATOM 1682 CG2 VAL B 82 12.120 5.147 12.224 1.00 27.22 C
ATOM 1683 H VAL B 82 12.930 1.780 9.803 1.00 15.00 H
ATOM 1684 N ASN B 83 15.109 3.603 12.692 1.00 18.29 N
ATOM 1685 CA ASN B 83 15.586 3.036 13.963 1.00 18.49 C
ATOM 1686 C ASN B 83 14.502 3.056 15.077 1.00 16.12 C
ATOM 1687 O ASN B 83 13.842 4.048 15.359 1.00 14.25 O
ATOM 1688 CB ASN B 83 16.795 3.818 14.469 1.00 18.74 C
ATOM 1689 CG ASN B 83 17.986 3.683 13.562 1.00 19.41 C
ATOM 1690 OD1 ASN B 83 18.460 2.636 13.223 1.00 19.89 O
ATOM 1691 ND2 ASN B 83 18.506 4.793 13.158 1.00 19.08 N
ATOM 1692 H ASN B 83 15.263 4.552 12.418 1.00 15.00 H
ATOM 1693 HD21 ASN B 83 19.278 4.725 12.535 1.00 0.00 H
ATOM 1694 HD22 ASN B 83 18.167 5.678 13.479 1.00 0.00 H
ATOM 1695 N ILE B 84 14.308 1.900 15.671 1.00 16.17 N
ATOM 1696 CA ILE B 84 13.226 1.763 16.650 1.00 16.35 C
ATOM 1697 C ILE B 84 13.765 1.468 18.026 1.00 16.66 C
ATOM 1698 O ILE B 84 14.399 0.446 18.220 1.00 16.81 O
ATOM 1699 CB ILE B 84 12.312 0.624 16.219 1.00 16.12 C
ATOM 1700 CG1 ILE B 84 11.594 0.991 14.929 1.00 16.70 C
ATOM 1701 CG2 ILE B 84 11.273 0.244 17.281 1.00 14.00 C
ATOM 1702 CD1 ILE B 84 11.084 -0.230 14.166 1.00 17.71 C
ATOM 1703 H ILE B 84 14.868 1.111 15.399 1.00 15.00 H
ATOM 1704 N ILE B 85 13.490 2.365 18.976 1.00 16.59 N
ATOM 1705 CA ILE B 85 13.782 1.997 20.374 1.00 15.78 C
ATOM 1706 C ILE B 85 12.559 1.366 21.064 1.00 14.25 C
ATOM 1707 O ILE B 85 11.521 1.975 21.238 1.00 14.84 O
ATOM 1708 CB ILE B 85 14.308 3.220 21.180 1.00 15.11 C
ATOM 1709 CG1 ILE B 85 15.504 3.925 20.537 1.00 14.66 C
ATOM 1710 CG2 ILE B 85 14.674 2.806 22.607 1.00 13.31 C
ATOM 1711 CD1 ILE B 85 16.644 2.964 20.192 1.00 16.67 C
ATOM 1712 H ILE B 85 12.946 3.179 18.755 1.00 15.00 H
ATOM 1713 N GLY B 86 12.736 0.095 21.423 1.00 14.74 N
ATOM 1714 CA GLY B 86 11.655 -0.693 22.035 1.00 13.57 C
ATOM 1715 C GLY B 86 11.687 -0.782 23.561 1.00 14.00 C
ATOM 1716 O GLY B 86 12.553 -0.236 24.237 1.00 14.82 O
ATOM 1717 H GLY B 86 13.641 -0.308 21.278 1.00 15.00 H
ATOM 1718 N ARG B 87 10.714 -1.511 24.098 1.00 14.37 N
ATOM 1719 CA ARG B 87 10.549 -1.551 25.572 1.00 14.24 C
ATOM 1720 C ARG B 87 11.695 -2.096 26.398 1.00 14.47 C
ATOM 1721 O ARG B 87 11.975 -1.663 27.500 1.00 16.86 O
ATOM 1722 CB ARG B 87 9.282 -2.303 25.945 1.00 13.31 C
ATOM 1723 CG ARG B 87 7.970 -1.692 25.446 1.00 11.04 C
ATOM 1724 CD ARG B 87 6.792 -2.361 26.153 1.00 11.16 C
ATOM 1725 NE ARG B 87 6.655 -3.767 25.778 1.00 14.13 N
ATOM 1726 CZ ARG B 87 7.160 -4.803 26.472 1.00 16.85 C
ATOM 1727 NH1 ARG B 87 7.716 -4.600 27.675 1.00 18.32 N
ATOM 1728 NH2 ARG B 87 7.142 -6.014 25.909 1.00 17.79 N
ATOM 1729 H ARG B 87 10.031 -1.915 23.481 1.00 15.00 H
ATOM 1730 HE ARG B 87 6.230 -3.963 24.898 1.00 15.00 H
ATOM 1731 HH11 ARG B 87 7.605 -3.691 28.072 1.00 0.00 H
ATOM 1732 HH12 ARG B 87 8.260 -5.266 28.205 1.00 0.00 H
ATOM 1733 HH21 ARG B 87 6.677 -6.143 25.034 1.00 0.00 H
ATOM 1734 HH22 ARG B 87 7.599 -6.791 26.346 1.00 0.00 H
ATOM 1735 N ASN B 88 12.439 -3.003 25.796 1.00 15.02 N
ATOM 1736 CA ASN B 88 13.672 -3.467 26.442 1.00 16.39 C
ATOM 1737 C ASN B 88 14.704 -2.412 26.827 1.00 16.93 C
ATOM 1738 O ASN B 88 15.427 -2.548 27.783 1.00 19.64 O
ATOM 1739 CB ASN B 88 14.351 -4.599 25.626 1.00 16.52 C
ATOM 1740 CG ASN B 88 15.028 -4.068 24.367 1.00 16.84 C
ATOM 1741 OD1 ASN B 88 14.507 -3.252 23.644 1.00 17.08 O
ATOM 1742 ND2 ASN B 88 16.269 -4.424 24.170 1.00 15.19 N
ATOM 1743 H ASN B 88 12.190 -3.292 24.871 1.00 15.00 H
ATOM 1744 HD21 ASN B 88 16.780 -4.026 23.410 1.00 0.00 H
ATOM 1745 HD22 ASN B 88 16.720 -5.089 24.765 1.00 0.00 H
ATOM 1746 N LEU B 89 14.765 -1.343 26.064 1.00 17.28 N
ATOM 1747 CA LEU B 89 15.634 -0.225 26.457 1.00 16.84 C
ATOM 1748 C LEU B 89 14.923 0.978 27.129 1.00 16.53 C
ATOM 1749 O LEU B 89 15.408 1.678 28.013 1.00 15.60 O
ATOM 1750 CB LEU B 89 16.388 0.237 25.194 1.00 18.54 C
ATOM 1751 CG LEU B 89 17.393 -0.736 24.532 1.00 22.33 C
ATOM 1752 CD1 LEU B 89 18.177 0.076 23.487 1.00 24.63 C
ATOM 1753 CD2 LEU B 89 18.380 -1.381 25.520 1.00 22.00 C
ATOM 1754 H LEU B 89 14.215 -1.310 25.225 1.00 15.00 H
ATOM 1755 N LEU B 90 13.662 1.162 26.712 1.00 17.28 N
ATOM 1756 CA LEU B 90 12.804 2.196 27.330 1.00 16.51 C
ATOM 1757 C LEU B 90 12.587 2.114 28.847 1.00 16.38 C
ATOM 1758 O LEU B 90 12.609 3.087 29.593 1.00 17.26 O
ATOM 1759 CB LEU B 90 11.414 2.217 26.688 1.00 15.46 C
ATOM 1760 CG LEU B 90 11.361 2.758 25.234 1.00 18.57 C
ATOM 1761 CD1 LEU B 90 9.918 2.744 24.730 1.00 18.29 C
ATOM 1762 CD2 LEU B 90 11.925 4.165 25.104 1.00 18.91 C
ATOM 1763 H LEU B 90 13.342 0.650 25.909 1.00 15.00 H
ATOM 1764 N THR B 91 12.405 0.884 29.277 1.00 17.74 N
ATOM 1765 CA THR B 91 12.308 0.598 30.718 1.00 16.90 C
ATOM 1766 C THR B 91 13.540 0.992 31.465 1.00 18.63 C
ATOM 1767 O THR B 91 13.473 1.589 32.523 1.00 20.99 O
ATOM 1768 CB THR B 91 12.063 -0.880 31.006 1.00 16.72 C
ATOM 1769 OG1 THR B 91 13.064 -1.682 30.386 1.00 20.15 O
ATOM 1770 CG2 THR B 91 10.719 -1.363 30.539 1.00 13.06 C
ATOM 1771 H THR B 91 12.315 0.144 28.608 1.00 15.00 H
ATOM 1772 HG1 THR B 91 12.724 -2.013 29.542 1.00 15.00 H
ATOM 1773 N GLN B 92 14.689 0.745 30.843 1.00 16.98 N
ATOM 1774 CA GLN B 92 15.925 1.153 31.501 1.00 19.53 C
ATOM 1775 C GLN B 92 16.168 2.629 31.695 1.00 23.27 C
ATOM 1776 O GLN B 92 16.824 3.068 32.636 1.00 26.10 O
ATOM 1777 CB GLN B 92 17.138 0.619 30.770 1.00 17.39 C
ATOM 1778 CG GLN B 92 17.008 -0.880 30.598 1.00 17.44 C
ATOM 1779 CD GLN B 92 18.310 -1.369 30.042 1.00 19.38 C
ATOM 1780 OE1 GLN B 92 19.376 -0.825 30.234 1.00 18.78 O
ATOM 1781 NE2 GLN B 92 18.235 -2.443 29.307 1.00 23.18 N
ATOM 1782 H GLN B 92 14.675 0.202 30.004 1.00 15.00 H
ATOM 1783 HE21 GLN B 92 19.103 -2.842 29.001 1.00 0.00 H
ATOM 1784 HE22 GLN B 92 17.356 -2.839 29.050 1.00 0.00 H
ATOM 1785 N ILE B 93 15.601 3.411 30.766 1.00 24.07 N
ATOM 1786 CA ILE B 93 15.706 4.858 30.975 1.00 23.42 C
ATOM 1787 C ILE B 93 14.615 5.529 31.836 1.00 23.24 C
ATOM 1788 O ILE B 93 14.556 6.722 32.053 1.00 23.36 O
ATOM 1789 CB ILE B 93 15.932 5.595 29.637 1.00 24.50 C
ATOM 1790 CG1 ILE B 93 14.710 5.691 28.736 1.00 21.63 C
ATOM 1791 CG2 ILE B 93 17.167 5.030 28.887 1.00 21.18 C
ATOM 1792 CD1 ILE B 93 14.999 6.693 27.632 1.00 23.64 C
ATOM 1793 H ILE B 93 15.183 2.997 29.956 1.00 15.00 H
ATOM 1794 N GLY B 94 13.744 4.683 32.371 1.00 23.13 N
ATOM 1795 CA GLY B 94 12.699 5.183 33.272 1.00 23.18 C
ATOM 1796 C GLY B 94 11.519 5.791 32.578 1.00 22.63 C
ATOM 1797 O GLY B 94 10.876 6.709 33.040 1.00 22.26 O
ATOM 1798 H GLY B 94 13.829 3.705 32.177 1.00 15.00 H
ATOM 1799 N CYS B 95 11.294 5.265 31.381 1.00 22.40 N
ATOM 1800 CA CYS B 95 10.321 5.916 30.511 1.00 19.66 C
ATOM 1801 C CYS B 95 8.920 5.423 30.767 1.00 19.56 C
ATOM 1802 O CYS B 95 8.690 4.225 30.875 1.00 20.06 O
ATOM 1803 CB CYS B 95 10.751 5.673 29.049 1.00 22.95 C
ATOM 1804 SG CYS B 95 9.609 6.358 27.844 1.00 27.54 S
ATOM 1805 H CYS B 95 11.797 4.448 31.093 1.00 15.00 H
ATOM 1806 N THR B 96 7.993 6.371 30.909 1.00 17.32 N
ATOM 1807 CA THR B 96 6.561 6.047 31.118 1.00 18.03 C
ATOM 1808 C THR B 96 5.581 6.704 30.146 1.00 17.79 C
ATOM 1809 O THR B 96 5.836 7.715 29.518 1.00 19.68 O
ATOM 1810 CB THR B 96 6.003 6.352 32.562 1.00 17.91 C
ATOM 1811 OG1 THR B 96 6.207 7.696 32.936 1.00 16.70 O
ATOM 1812 CG2 THR B 96 6.582 5.484 33.670 1.00 19.85 C
ATOM 1813 H THR B 96 8.287 7.329 30.888 1.00 15.00 H
ATOM 1814 HG1 THR B 96 5.477 8.240 32.596 1.00 15.00 H
ATOM 1815 N LEU B 97 4.407 6.087 30.061 1.00 18.64 N
ATOM 1816 CA LEU B 97 3.282 6.705 29.347 1.00 19.05 C
ATOM 1817 C LEU B 97 2.298 7.299 30.293 1.00 19.02 C
ATOM 1818 O LEU B 97 1.831 6.680 31.232 1.00 20.73 O
ATOM 1819 CB LEU B 97 2.447 5.683 28.619 1.00 21.07 C
ATOM 1820 CG LEU B 97 3.001 5.261 27.270 1.00 23.63 C
ATOM 1821 CD1 LEU B 97 2.228 4.004 26.823 1.00 24.94 C
ATOM 1822 CD2 LEU B 97 2.932 6.401 26.236 1.00 22.54 C
ATOM 1823 H LEU B 97 4.283 5.236 30.577 1.00 15.00 H
ATOM 1824 N ASN B 98 1.987 8.533 30.017 1.00 19.77 N
ATOM 1825 CA ASN B 98 1.109 9.241 30.937 1.00 22.53 C
ATOM 1826 C ASN B 98 -0.067 9.924 30.292 1.00 24.39 C
ATOM 1827 O ASN B 98 0.044 10.687 29.350 1.00 25.00 O
ATOM 1828 CB ASN B 98 1.904 10.317 31.638 1.00 26.30 C
ATOM 1829 CG ASN B 98 2.933 9.687 32.533 1.00 31.01 C
ATOM 1830 OD1 ASN B 98 3.830 8.946 32.187 1.00 34.92 O
ATOM 1831 ND2 ASN B 98 2.779 9.981 33.784 1.00 35.02 N
ATOM 1832 H ASN B 98 2.470 8.996 29.265 1.00 15.00 H
ATOM 1833 HD21 ASN B 98 3.423 9.571 34.434 1.00 0.00 H
ATOM 1834 HD22 ASN B 98 2.129 10.665 34.093 1.00 0.00 H
ATOM 1835 N PHE B 99 -1.210 9.657 30.879 1.00 24.06 N
ATOM 1836 CA PHE B 99 -2.402 10.478 30.579 1.00 26.88 C
ATOM 1837 C PHE B 99 -3.451 10.449 31.682 1.00 30.39 C
ATOM 1838 O PHE B 99 -4.553 10.971 31.506 1.00 32.29 O
ATOM 1839 CB PHE B 99 -3.097 10.015 29.308 1.00 21.91 C
ATOM 1840 CG PHE B 99 -3.558 8.589 29.388 1.00 21.11 C
ATOM 1841 CD1 PHE B 99 -2.620 7.526 29.292 1.00 22.83 C
ATOM 1842 CD2 PHE B 99 -4.933 8.344 29.513 1.00 19.44 C
ATOM 1843 CE1 PHE B 99 -3.056 6.189 29.301 1.00 20.85 C
ATOM 1844 CE2 PHE B 99 -5.376 7.004 29.523 1.00 24.62 C
ATOM 1845 CZ PHE B 99 -4.444 5.934 29.417 1.00 24.62 C
ATOM 1846 OXT PHE B 99 -3.196 9.799 32.713 1.00 33.75 O
ATOM 1847 H PHE B 99 -1.220 8.929 31.561 1.00 15.00 H
TER 1848 PHE B 99
HETATM 1849 C1 A77 A 800 3.484 3.332 10.744 1.00 19.36 C
HETATM 1850 O2 A77 A 800 3.336 4.024 11.730 1.00 16.82 O
HETATM 1851 N3 A77 A 800 3.986 3.834 9.598 1.00 21.45 N
HETATM 1852 C4 A77 A 800 4.186 3.015 8.397 1.00 22.46 C
HETATM 1853 C5 A77 A 800 4.366 5.248 9.533 1.00 23.60 C
HETATM 1854 C6 A77 A 800 5.860 5.489 9.574 1.00 28.23 C
HETATM 1855 C7 A77 A 800 6.595 5.555 8.390 1.00 28.34 C
HETATM 1856 N8 A77 A 800 6.404 5.681 10.778 1.00 29.30 N
HETATM 1857 C9 A77 A 800 7.951 5.862 8.490 1.00 34.55 C
HETATM 1858 C10 A77 A 800 7.702 5.966 10.862 1.00 28.71 C
HETATM 1859 C11 A77 A 800 8.525 6.077 9.751 1.00 30.20 C
HETATM 1860 N21 A77 A 800 3.165 2.047 10.748 1.00 17.32 N
HETATM 1861 C22 A77 A 800 2.786 1.298 11.960 1.00 17.23 C
HETATM 1862 C23 A77 A 800 3.932 0.378 12.380 1.00 17.53 C
HETATM 1863 O24 A77 A 800 4.028 -0.768 11.974 1.00 17.24 O
HETATM 1864 C25 A77 A 800 1.469 0.526 11.740 1.00 18.10 C
HETATM 1865 C26 A77 A 800 1.041 -0.268 12.988 1.00 18.53 C
HETATM 1866 C27 A77 A 800 0.334 1.457 11.293 1.00 21.31 C
HETATM 1867 N37 A77 A 800 4.847 0.937 13.183 1.00 16.54 N
HETATM 1868 C38 A77 A 800 6.139 0.294 13.554 1.00 17.52 C
HETATM 1869 C39 A77 A 800 7.277 1.214 13.081 1.00 17.67 C
HETATM 1870 C40 A77 A 800 7.580 1.130 11.622 1.00 20.87 C
HETATM 1871 C41 A77 A 800 7.184 2.149 10.761 1.00 21.97 C
HETATM 1872 C42 A77 A 800 7.454 2.042 9.393 1.00 25.38 C
HETATM 1873 C43 A77 A 800 8.129 0.929 8.897 1.00 24.38 C
HETATM 1874 C44 A77 A 800 8.534 -0.080 9.783 1.00 27.69 C
HETATM 1875 C45 A77 A 800 8.255 0.017 11.147 1.00 21.51 C
HETATM 1876 C46 A77 A 800 6.246 0.164 15.076 1.00 16.39 C
HETATM 1877 O47 A77 A 800 7.473 -0.492 15.358 1.00 17.49 O
HETATM 1878 O48 A77 A 800 5.129 -0.172 17.213 1.00 18.35 O
HETATM 1879 C49 A77 A 800 5.012 -0.427 15.813 1.00 18.13 C
HETATM 1880 N50 A77 A 800 5.754 -2.802 16.209 1.00 17.31 N
HETATM 1881 C51 A77 A 800 4.738 -1.926 15.594 1.00 17.44 C
HETATM 1882 C52 A77 A 800 3.349 -2.327 16.127 1.00 17.77 C
HETATM 1883 C53 A77 A 800 3.072 -3.822 16.090 1.00 20.09 C
HETATM 1884 C54 A77 A 800 3.253 -4.613 17.238 1.00 22.13 C
HETATM 1885 C55 A77 A 800 3.044 -6.000 17.178 1.00 22.13 C
HETATM 1886 C56 A77 A 800 2.644 -6.619 15.985 1.00 21.36 C
HETATM 1887 C57 A77 A 800 2.442 -5.838 14.845 1.00 19.61 C
HETATM 1888 C58 A77 A 800 2.658 -4.449 14.899 1.00 20.39 C
HETATM 1889 N81 A77 A 800 6.910 -5.919 16.684 1.00 16.89 N
HETATM 1890 C82 A77 A 800 7.418 -4.588 16.402 1.00 16.65 C
HETATM 1891 C83 A77 A 800 6.432 -3.755 15.559 1.00 18.04 C
HETATM 1892 O84 A77 A 800 6.313 -3.944 14.365 1.00 18.77 O
HETATM 1893 C85 A77 A 800 8.809 -4.660 15.732 1.00 16.90 C
HETATM 1894 C86 A77 A 800 9.366 -3.253 15.463 1.00 16.81 C
HETATM 1895 C87 A77 A 800 9.817 -5.422 16.589 1.00 19.25 C
HETATM 1896 C97 A77 A 800 6.768 -6.393 17.922 1.00 20.72 C
HETATM 1897 O98 A77 A 800 7.143 -5.764 18.901 1.00 19.85 O
HETATM 1898 N99 A77 A 800 6.226 -7.635 18.023 1.00 23.02 N
HETATM 1899 C2 A77 A 800 5.791 -8.392 16.839 1.00 22.59 C
HETATM 1900 C3 A77 A 800 5.994 -8.253 19.345 1.00 22.85 C
HETATM 1901 C8 A77 A 800 4.644 -7.870 19.906 1.00 25.07 C
HETATM 1902 C12 A77 A 800 3.555 -8.734 19.771 1.00 26.67 C
HETATM 1903 N10 A77 A 800 4.555 -6.668 20.511 1.00 32.12 N
HETATM 1904 C13 A77 A 800 2.317 -8.344 20.282 1.00 25.95 C
HETATM 1905 C14 A77 A 800 3.355 -6.296 20.983 1.00 31.02 C
HETATM 1906 C15 A77 A 800 2.211 -7.098 20.901 1.00 28.97 C
HETATM 1907 H12 A77 A 800 4.667 3.580 7.598 1.00 0.00 H
HETATM 1908 H13 A77 A 800 4.810 2.149 8.614 1.00 0.00 H
HETATM 1909 H14 A77 A 800 3.225 2.666 8.023 1.00 0.00 H
HETATM 1910 H15 A77 A 800 3.907 5.824 10.334 1.00 0.00 H
HETATM 1911 H16 A77 A 800 3.959 5.675 8.617 1.00 0.00 H
HETATM 1912 H17 A77 A 800 6.139 5.337 7.444 1.00 0.00 H
HETATM 1913 H18 A77 A 800 8.569 5.915 7.598 1.00 0.00 H
HETATM 1914 H19 A77 A 800 8.128 6.112 11.847 1.00 0.00 H
HETATM 1915 H20 A77 A 800 9.576 6.313 9.868 1.00 0.00 H
HETATM 1916 H28 A77 A 800 3.241 1.576 9.866 1.00 15.00 H
HETATM 1917 H29 A77 A 800 2.622 1.990 12.785 1.00 0.00 H
HETATM 1918 H30 A77 A 800 1.633 -0.191 10.932 1.00 0.00 H
HETATM 1919 H31 A77 A 800 0.066 -0.731 12.847 1.00 0.00 H
HETATM 1920 H32 A77 A 800 1.750 -1.060 13.233 1.00 0.00 H
HETATM 1921 H33 A77 A 800 0.958 0.383 13.857 1.00 0.00 H
HETATM 1922 H34 A77 A 800 0.103 2.195 12.063 1.00 0.00 H
HETATM 1923 H35 A77 A 800 0.588 1.995 10.378 1.00 0.00 H
HETATM 1924 H36 A77 A 800 -0.572 0.888 11.090 1.00 0.00 H
HETATM 1925 H59 A77 A 800 4.679 1.879 13.475 1.00 15.00 H
HETATM 1926 H60 A77 A 800 6.217 -0.701 13.103 1.00 0.00 H
HETATM 1927 H61 A77 A 800 8.220 1.029 13.592 1.00 0.00 H
HETATM 1928 H62 A77 A 800 7.032 2.243 13.345 1.00 0.00 H
HETATM 1929 H63 A77 A 800 6.655 3.007 11.151 1.00 0.00 H
HETATM 1930 H64 A77 A 800 7.143 2.817 8.711 1.00 0.00 H
HETATM 1931 H65 A77 A 800 8.332 0.846 7.838 1.00 0.00 H
HETATM 1932 H66 A77 A 800 9.064 -0.940 9.402 1.00 0.00 H
HETATM 1933 H67 A77 A 800 8.558 -0.759 11.833 1.00 0.00 H
HETATM 1934 H68 A77 A 800 6.390 1.176 15.462 1.00 0.00 H
HETATM 1935 H69 A77 A 800 7.923 -0.554 14.510 1.00 0.00 H
HETATM 1936 H70 A77 A 800 5.952 -0.638 17.406 1.00 0.00 H
HETATM 1937 H71 A77 A 800 4.126 0.137 15.516 1.00 0.00 H
HETATM 1938 H72 A77 A 800 5.859 -2.796 17.199 1.00 15.00 H
HETATM 1939 H73 A77 A 800 4.726 -2.084 14.514 1.00 0.00 H
HETATM 1940 H74 A77 A 800 2.565 -1.805 15.575 1.00 0.00 H
HETATM 1941 H75 A77 A 800 3.244 -1.997 17.160 1.00 0.00 H
HETATM 1942 H76 A77 A 800 3.576 -4.155 18.164 1.00 0.00 H
HETATM 1943 H77 A77 A 800 3.197 -6.593 18.060 1.00 0.00 H
HETATM 1944 H78 A77 A 800 2.499 -7.692 15.949 1.00 0.00 H
HETATM 1945 H79 A77 A 800 2.125 -6.298 13.922 1.00 0.00 H
HETATM 1946 H80 A77 A 800 2.512 -3.846 14.014 1.00 0.00 H
HETATM 1947 H88 A77 A 800 6.620 -6.524 15.943 1.00 15.00 H
HETATM 1948 H89 A77 A 800 7.536 -4.035 17.334 1.00 0.00 H
HETATM 1949 H90 A77 A 800 8.709 -5.182 14.779 1.00 0.00 H
HETATM 1950 H91 A77 A 800 10.376 -3.302 15.056 1.00 0.00 H
HETATM 1951 H92 A77 A 800 8.754 -2.713 14.743 1.00 0.00 H
HETATM 1952 H93 A77 A 800 9.406 -2.664 16.380 1.00 0.00 H
HETATM 1953 H94 A77 A 800 9.938 -4.949 17.565 1.00 0.00 H
HETATM 1954 H95 A77 A 800 9.500 -6.452 16.748 1.00 0.00 H
HETATM 1955 H96 A77 A 800 10.794 -5.454 16.106 1.00 0.00 H
HETATM 1956 H1 A77 A 800 6.654 -8.752 16.279 1.00 0.00 H
HETATM 1957 H10 A77 A 800 5.184 -7.776 16.176 1.00 0.00 H
HETATM 1958 H11 A77 A 800 5.185 -9.254 17.120 1.00 0.00 H
HETATM 1959 H2 A77 A 800 6.762 -7.948 20.051 1.00 0.00 H
HETATM 1960 H3 A77 A 800 6.067 -9.337 19.267 1.00 0.00 H
HETATM 1961 H4 A77 A 800 3.667 -9.663 19.244 1.00 0.00 H
HETATM 1962 H5 A77 A 800 1.446 -8.984 20.186 1.00 0.00 H
HETATM 1963 H6 A77 A 800 3.271 -5.323 21.450 1.00 0.00 H
HETATM 1964 H7 A77 A 800 1.267 -6.748 21.299 1.00 0.00 H
HETATM 1965 O HOH A 415 5.245 -3.205 11.955 1.00 15.00 O
HETATM 1966 H1 HOH A 415 4.846 -2.390 12.262 1.00 0.00 H
HETATM 1967 H2 HOH A 415 5.708 -3.499 12.734 1.00 0.00 H
CONECT 1849 1850 1851 1860
CONECT 1850 1849
CONECT 1851 1849 1852 1853
CONECT 1852 1851 1907 1908 1909
CONECT 1853 1851 1854 1910 1911
CONECT 1854 1853 1855 1856
CONECT 1855 1854 1857 1912
CONECT 1856 1854 1858
CONECT 1857 1855 1859 1913
CONECT 1858 1856 1859 1914
CONECT 1859 1857 1858 1915
CONECT 1860 1849 1861 1916
CONECT 1861 1860 1862 1864 1917
CONECT 1862 1861 1863 1867
CONECT 1863 1862
CONECT 1864 1861 1865 1866 1918
CONECT 1865 1864 1919 1920 1921
CONECT 1866 1864 1922 1923 1924
CONECT 1867 1862 1868 1925
CONECT 1868 1867 1869 1876 1926
CONECT 1869 1868 1870 1927 1928
CONECT 1870 1869 1871 1875
CONECT 1871 1870 1872 1929
CONECT 1872 1871 1873 1930
CONECT 1873 1872 1874 1931
CONECT 1874 1873 1875 1932
CONECT 1875 1870 1874 1933
CONECT 1876 1868 1877 1879 1934
CONECT 1877 1876 1935
CONECT 1878 1879 1936
CONECT 1879 1876 1878 1881 1937
CONECT 1880 1881 1891 1938
CONECT 1881 1879 1880 1882 1939
CONECT 1882 1881 1883 1940 1941
CONECT 1883 1882 1884 1888
CONECT 1884 1883 1885 1942
CONECT 1885 1884 1886 1943
CONECT 1886 1885 1887 1944
CONECT 1887 1886 1888 1945
CONECT 1888 1883 1887 1946
CONECT 1889 1890 1896 1947
CONECT 1890 1889 1891 1893 1948
CONECT 1891 1880 1890 1892
CONECT 1892 1891
CONECT 1893 1890 1894 1895 1949
CONECT 1894 1893 1950 1951 1952
CONECT 1895 1893 1953 1954 1955
CONECT 1896 1889 1897 1898
CONECT 1897 1896
CONECT 1898 1896 1899 1900
CONECT 1899 1898 1956 1957 1958
CONECT 1900 1898 1901 1959 1960
CONECT 1901 1900 1902 1903
CONECT 1902 1901 1904 1961
CONECT 1903 1901 1905
CONECT 1904 1902 1906 1962
CONECT 1905 1903 1906 1963
CONECT 1906 1904 1905 1964
CONECT 1907 1852
CONECT 1908 1852
CONECT 1909 1852
CONECT 1910 1853
CONECT 1911 1853
CONECT 1912 1855
CONECT 1913 1857
CONECT 1914 1858
CONECT 1915 1859
CONECT 1916 1860
CONECT 1917 1861
CONECT 1918 1864
CONECT 1919 1865
CONECT 1920 1865
CONECT 1921 1865
CONECT 1922 1866
CONECT 1923 1866
CONECT 1924 1866
CONECT 1925 1867
CONECT 1926 1868
CONECT 1927 1869
CONECT 1928 1869
CONECT 1929 1871
CONECT 1930 1872
CONECT 1931 1873
CONECT 1932 1874
CONECT 1933 1875
CONECT 1934 1876
CONECT 1935 1877
CONECT 1936 1878
CONECT 1937 1879
CONECT 1938 1880
CONECT 1939 1881
CONECT 1940 1882
CONECT 1941 1882
CONECT 1942 1884
CONECT 1943 1885
CONECT 1944 1886
CONECT 1945 1887
CONECT 1946 1888
CONECT 1947 1889
CONECT 1948 1890
CONECT 1949 1893
CONECT 1950 1894
CONECT 1951 1894
CONECT 1952 1894
CONECT 1953 1895
CONECT 1954 1895
CONECT 1955 1895
CONECT 1956 1899
CONECT 1957 1899
CONECT 1958 1899
CONECT 1959 1900
CONECT 1960 1900
CONECT 1961 1902
CONECT 1962 1904
CONECT 1963 1905
CONECT 1964 1906
MASTER 256 0 1 2 4 0 5 6 1965 2 116 16
END
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