diff options
Diffstat (limited to 'plip/test/pdb/1hvi.pdb')
| -rw-r--r-- | plip/test/pdb/1hvi.pdb | 2409 |
1 files changed, 0 insertions, 2409 deletions
diff --git a/plip/test/pdb/1hvi.pdb b/plip/test/pdb/1hvi.pdb deleted file mode 100644 index ed1d520..0000000 --- a/plip/test/pdb/1hvi.pdb +++ /dev/null @@ -1,2409 +0,0 @@ -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 |