USER MOD reduce.3.24.130724 H: found=0, std=0, add=1238, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER OXYGEN TRANSPORT 23-APR-82 1LH1 TITLE X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. TITLE 2 STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF TITLE 3 2.0 ANGSTROMS (RUSSIAN) COMPND MOL_ID: 1; COMPND 2 MOLECULE: LEGHEMOGLOBIN (ACETO MET); COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: LUPINUS LUTEUS; SOURCE 3 ORGANISM_COMMON: YELLOW LUPINE; SOURCE 4 ORGANISM_TAXID: 3873 KEYWDS OXYGEN TRANSPORT EXPDTA X-RAY DIFFRACTION AUTHOR B.K.VAINSHTEIN,E.H.HARUTYUNYAN,I.P.KURANOVA,V.V.BORISOV, AUTHOR 2 N.I.SOSFENOV,A.G.PAVLOVSKY,A.I.GREBENKO,N.V.KONAREVA REVDAT 3 24-FEB-09 1LH1 1 VERSN REVDAT 2 30-SEP-83 1LH1 1 REVDAT REVDAT 1 20-JAN-83 1LH1 0 SPRSDE 20-JAN-83 1LH1 1HBL JRNL AUTH E.G.ARUTYUNYAN,I.P.KURANOVA,B.K.VAINSHTEIN, JRNL AUTH 2 W.STEIGEMANN JRNL TITL X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. JRNL TITL 2 VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A JRNL TITL 3 RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN) JRNL REF KRISTALLOGRAFIYA V. 25 80 1980 JRNL REFN ISSN 0023-4761 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH E.G.ARUTYUNYAN,I.P.KURANOVA,B.K.VAINSHTEIN, REMARK 1 AUTH 2 W.STEIGEMANN REMARK 1 TITL X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. REMARK 1 TITL 2 VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A REMARK 1 TITL 3 RESOLUTION OF 2.0 ANGSTROMS REMARK 1 REF SOV.PHYS.CRYSTALLOGR.(ENGL. V. 25 43 1980 REMARK 1 REF 2 TRANSL.) REMARK 1 REFN ISSN 0038-5638 REMARK 1 REFERENCE 2 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTYUNYAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,YU.V.NEKRASOV REMARK 1 TITL X-RAY DIFFRACTION STUDY OF LEGHEMOGLOBIN. IV. REMARK 1 TITL 2 DETERMINATION OF THE STRUCTURE WITH 2.8 ANGSTROMS REMARK 1 TITL 3 RESOLUTION (RUSSIAN) REMARK 1 REF KRISTALLOGRAFIYA V. 23 517 1978 REMARK 1 REFN ISSN 0023-4761 REMARK 1 REFERENCE 3 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTYUNYAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,YU.V.NEKRASOV REMARK 1 TITL X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. REMARK 1 TITL 2 IV. STRUCTURE DETERMINATION AT A RESOLUTION OF 2.8 REMARK 1 TITL 3 ANGSTROMS ANGSTROMS REMARK 1 REF SOV.PHYS.CRYSTALLOGR.(ENGL. V. 23 287 1978 REMARK 1 REF 2 TRANSL.) REMARK 1 REFN ISSN 0038-5638 REMARK 1 REFERENCE 4 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTIUNIAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,N.V.KONAREVA,IU.V.NEKRASOV REMARK 1 TITL SPATIAL STRUCTURE OF LUPINE LEGHEMOGLOBIN WITH THE REMARK 1 TITL 2 2.8 ANGSTROMS RESOLUTION (RUSSIAN) REMARK 1 REF DOKL.AKAD.NAUK SSSR V. 233 238 1977 REMARK 1 REFN ISSN 0002-3264 REMARK 1 REFERENCE 5 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTYUNYAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,N.V.KONAREVA,YU.V.NEKRASOV REMARK 1 TITL THREE-DIMENSIONAL STRUCTURE OF LUPINE REMARK 1 TITL 2 LEGHEMOGLOBIN WITH A RESOLUTION OF 2.8 ANGSTROMS REMARK 1 REF DOKL.BIOCHEM.(ENGL.TRANSL.) V. 233 67 1977 REMARK 1 REFN ISSN 0012-4958 REMARK 1 REFERENCE 6 REMARK 1 AUTH E.G.ARUTYUNYAN,I.P.KURANOVA,A.I.GREBENKO, REMARK 1 AUTH 2 A.A.VORONOVA REMARK 1 TITL X-RAY STRUCTURAL STUDY OF LEGHEMOGLOBIN. III. REMARK 1 TITL 2 CRYSTALLOGRAPHIC DATA ON THE STRUCTURE OF THE REMARK 1 TITL 3 FIRST COMPONENT (RUSSIAN) REMARK 1 REF KRISTALLOGRAFIYA V. 22 634 1977 REMARK 1 REFN ISSN 0023-4761 REMARK 1 REFERENCE 7 REMARK 1 AUTH E.G.ARUTYUNYAN,I.P.KURANOVA,A.I.GREBENKO, REMARK 1 AUTH 2 A.A.VORONOVA REMARK 1 TITL X-RAY STRUCTURAL STUDY OF LEGHEMOGLOBIN. III. REMARK 1 TITL 2 CRYSTALLOGRAPHIC DATA REGARDING THE STRUCTURE OF REMARK 1 TITL 3 THE FIRST COMPONENT REMARK 1 REF SOV.PHYS.CRYSTALLOGR.(ENGL. V. 22 362 1977 REMARK 1 REF 2 TRANSL.) REMARK 1 REFN ISSN 0038-5638 REMARK 1 REFERENCE 8 REMARK 1 AUTH S.VUK-PAVLOVIC,B.BENKO,S.MARICIC, REMARK 1 AUTH 2 G.LAHAJNAR I.P.KURANOVA,B.K.VAINSHTEIN REMARK 1 TITL THE HAEM-ACCESSIBILITY IN LEGHAEMOGLOBIN OF REMARK 1 TITL 2 LUPINUS LUTEUS AS OBSERVED BY PROTON MAGNETIC REMARK 1 TITL 3 RELAXATION REMARK 1 REF INT.J.PEPT.PROTEIN RES. V. 8 427 1976 REMARK 1 REFN ISSN 0367-8377 REMARK 1 REFERENCE 9 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTYUNYAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,N.V.KONAREVA REMARK 1 TITL THE X-RAY STRUCTURAL STUDY OF LEGHEMOGLOBIN. II. REMARK 1 TITL 2 DETERMINATION OF THE STRUCTURE AT 5 ANGSTROMS REMARK 1 TITL 3 RESOLUTION (RUSSIAN) REMARK 1 REF KRISTALLOGRAFIYA V. 19 971 1974 REMARK 1 REFN ISSN 0023-4761 REMARK 1 REFERENCE 10 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTYUNYAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,N.V.KONAREVA REMARK 1 TITL X-RAY STUDY OF LEGHEMOGLOBIN. II. DETERMINATION OF REMARK 1 TITL 2 THE STRUCTURE WITH RESOLUTION OF 5 ANGSTROMS REMARK 1 REF SOV.PHYS.CRYSTALLOGR.(ENGL. V. 19 602 1975 REMARK 1 REF 2 TRANSL.) REMARK 1 REFN ISSN 0038-5638 REMARK 1 REFERENCE 11 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTYUNYAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,N.V.KONAREVA REMARK 1 TITL THE X-RAY STRUCTURAL STUDY OF LEGHEMOGLOBIN. I. REMARK 1 TITL 2 PURIFICATION, CRYSTALLIZATION, AND PRODUCTION OF REMARK 1 TITL 3 DERIVATIVES CONTAINING HEAVY ATOMS (RUSSIAN) REMARK 1 REF KRISTALLOGRAFIYA V. 19 964 1974 REMARK 1 REFN ISSN 0023-4761 REMARK 1 REFERENCE 12 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTYUNYAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,N.V.KONAREVA REMARK 1 TITL X-RAY STUDY OF LEGHEMOGLOBIN. I.PURIFICATION, REMARK 1 TITL 2 CRYSTALLIZATION, AND PREPARATION OF DERIVATIVES REMARK 1 TITL 3 CONTAINING HEAVY ATOMS REMARK 1 REF SOV.PHYS.CRYSTALLOGR.(ENGL. V. 19 598 1975 REMARK 1 REF 2 TRANSL.) REMARK 1 REFN ISSN 0038-5638 REMARK 1 REFERENCE 13 REMARK 1 AUTH B.K.VAINSHTEIN,E.H.HARUTYUNYAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKY, REMARK 1 AUTH 3 A.I.GREBENKO,N.V.KONAREVA REMARK 1 TITL STRUCTURE OF LEGHAEMOGLOBIN FROM LUPIN ROOT REMARK 1 TITL 2 NODULES AT 5 ANGSTROMS RESOLUTION REMARK 1 REF NATURE V. 254 163 1975 REMARK 1 REFN ISSN 0028-0836 REMARK 1 REFERENCE 14 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTIUNIAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,N.V.KONAREVA REMARK 1 TITL X-RAY DETERMINATION OF THREE-DIMENSIONAL STRUCTURE REMARK 1 TITL 2 OF LEGHEMOGLOBIN FROM LUPINUS LUTEUS L. AT 5 REMARK 1 TITL 3 ANGSTROMS RESOLUTION (RUSSIAN) REMARK 1 REF DOKL.AKAD.NAUK SSSR V. 216 690 1974 REMARK 1 REFN ISSN 0002-3264 REMARK 1 REFERENCE 15 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTYUNYAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,N.V.KONAREVA REMARK 1 TITL X-RAY DIFFRACTION DETERMINATION OF THE REMARK 1 TITL 2 THREE-DIMENSIONAL STRUCTURE OF LEGHEMOGLOBIN OF REMARK 1 TITL 3 LUPINUS LUTEUS L. WITH 5 ANGSTROMS RESOLUTION REMARK 1 REF DOKL.BIOCHEM.(ENGL.TRANSL.) V. 216 226 1974 REMARK 1 REFN ISSN 0012-4958 REMARK 1 REFERENCE 16 REMARK 1 AUTH E.G.ARUTYUNYAN,V.N.ZAITSEV,G.YA.ZHIZNEVSKAYA, REMARK 1 AUTH 2 L.I.BORODENKO REMARK 1 TITL CELL PARAMETERS OF CRYSTALLINE PLANT (LUPINUS REMARK 1 TITL 2 LUTEUS (LUPINE)) HEMOGLOBIN (RUSSIAN) REMARK 1 REF KRISTALLOGRAFIYA V. 16 237 1971 REMARK 1 REFN ISSN 0023-4761 REMARK 1 REFERENCE 17 REMARK 1 AUTH E.G.ARUTYUNYAN,V.N.ZAITSEV,G.YA.ZHIZNEVSKAYA, REMARK 1 AUTH 2 L.I.BORODENKO REMARK 1 TITL UNIT-CELL PARAMETERS OF CRYSTALLINE PLANT REMARK 1 TITL 2 HEMOGLOBIN REMARK 1 REF SOV.PHYS.CRYSTALLOGR.(ENGL. V. 16 193 1971 REMARK 1 REF 2 TRANSL.) REMARK 1 REFN ISSN 0038-5638 REMARK 2 REMARK 2 RESOLUTION. 2.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : NULL REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING SET) : NULL 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 : 1180 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 47 REMARK 3 SOLVENT ATOMS : 69 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : NULL REMARK 3 BOND ANGLES (DEGREES) : NULL REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1LH1 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 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 55.76 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.78 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: B 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 X+1/2,Y,Z+1/2 REMARK 290 4555 -X+1/2,-Y,Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 46.66500 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 26.20000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 46.66500 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 26.20000 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: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 CB LEU A 130 LIES ON A SPECIAL POSITION. REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 GLY A 1 O REMARK 480 ALA A 2 CB REMARK 480 LYS A 12 NZ REMARK 480 LYS A 24 CE NZ REMARK 480 LYS A 41 NZ REMARK 480 LYS A 48 CG CD CE NZ REMARK 480 SER A 51 OG REMARK 480 GLU A 52 CG CD OE1 OE2 REMARK 480 LYS A 66 NZ REMARK 480 LYS A 69 NZ REMARK 480 LYS A 91 CD CE NZ REMARK 480 LYS A 100 NZ REMARK 480 LYS A 116 NZ REMARK 480 LYS A 119 CE NZ REMARK 480 GLU A 128 CD OE1 OE2 REMARK 480 LYS A 147 CD CE NZ REMARK 480 ASP A 150 OD1 OD2 REMARK 480 ASP A 151 OD1 OD2 REMARK 480 ALA A 153 O OXT REMARK 615 REMARK 615 ZERO OCCUPANCY ATOM REMARK 615 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 615 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 615 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 615 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 615 M RES C SSEQI REMARK 615 HEM A 155 REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM A 155 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 97 NE2 REMARK 620 2 ACT A 154 O 172.5 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACT A 154 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 155 DBREF 1LH1 A 1 153 UNP P02240 LGB2_LUPLU 1 153 SEQADV 1LH1 GLU A 79 UNP P02240 GLN 79 CONFLICT SEQADV 1LH1 ASP A 150 UNP P02240 ASN 150 CONFLICT SEQRES 1 A 153 GLY ALA LEU THR GLU SER GLN ALA ALA LEU VAL LYS SER SEQRES 2 A 153 SER TRP GLU GLU PHE ASN ALA ASN ILE PRO LYS HIS THR SEQRES 3 A 153 HIS ARG PHE PHE ILE LEU VAL LEU GLU ILE ALA PRO ALA SEQRES 4 A 153 ALA LYS ASP LEU PHE SER PHE LEU LYS GLY THR SER GLU SEQRES 5 A 153 VAL PRO GLN ASN ASN PRO GLU LEU GLN ALA HIS ALA GLY SEQRES 6 A 153 LYS VAL PHE LYS LEU VAL TYR GLU ALA ALA ILE GLN LEU SEQRES 7 A 153 GLU VAL THR GLY VAL VAL VAL THR ASP ALA THR LEU LYS SEQRES 8 A 153 ASN LEU GLY SER VAL HIS VAL SER LYS GLY VAL ALA ASP SEQRES 9 A 153 ALA HIS PHE PRO VAL VAL LYS GLU ALA ILE LEU LYS THR SEQRES 10 A 153 ILE LYS GLU VAL VAL GLY ALA LYS TRP SER GLU GLU LEU SEQRES 11 A 153 ASN SER ALA TRP THR ILE ALA TYR ASP GLU LEU ALA ILE SEQRES 12 A 153 VAL ILE LYS LYS GLU MET ASP ASP ALA ALA HET ACT A 154 4 HET HEM A 155 43 HETNAM ACT ACETATE ION HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETSYN HEM HEME FORMUL 2 ACT C2 H3 O2 1- FORMUL 3 HEM C34 H32 FE N4 O4 FORMUL 4 HOH *69(H2 O) HELIX 1 A THR A 4 ALA A 20 1 17 HELIX 2 B ASN A 21 ILE A 36 1 16 HELIX 3 C ALA A 37 LEU A 43 1 7 HELIX 4 E ASN A 57 GLY A 82 1 26 HELIX 5 F ALA A 88 GLY A 101 1 14 HELIX 6 G ASP A 104 GLY A 123 1 20 HELIX 7 H SER A 127 ALA A 152 1 26 LINK NE2 HIS A 97 FE HEM A 155 1555 1555 2.14 LINK O ACT A 154 FE HEM A 155 1555 1555 1.92 SITE *** AC1 5 PHE A 44 HIS A 63 VAL A 67 VAL A 110 SITE *** AC1 5 HEM A 155 SITE *** AC2 13 LEU A 43 PHE A 44 SER A 45 HIS A 63 SITE *** AC2 13 VAL A 67 LEU A 93 HIS A 97 VAL A 102 SITE *** AC2 13 HIS A 106 PHE A 107 VAL A 110 TYR A 138 SITE *** AC2 13 ACT A 154 CRYST1 93.330 38.400 52.400 90.00 90.00 99.00 B 2 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.010715 0.001697 0.000000 0.00000 SCALE2 0.000000 0.026366 0.000000 0.00000 SCALE3 0.000000 0.000000 0.019084 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 3 LEU H : A 3 LEU N : A 2 ALA C :(H bumps) USER MOD NoAdj-H: A 97 HIS HE2 : A 97 HIS NE2 : A 155 HEMFE :(H bumps) USER MOD Set 1.1: A 7 GLN : amide:sc= 0.166 K(o=1.2,f=-2.8!) USER MOD Set 1.2: A 132 SER OG A: rot -33:sc= 1.01 USER MOD Set 2.1: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 72 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 4 THR OG1 : rot 135:sc= 0.802 USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0.394 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -90:sc= 0.0222 USER MOD Single : A 14 SER OG : rot -11:sc= 1.43 USER MOD Single : A 19 ASN : amide:sc= -0.258 X(o=-0.26,f=-0.42) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.91! C(o=-4.4!,f=-0.91!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS :FLIP no HE2:sc= -1.2 F(o=-2,f=-1.2) USER MOD Single : A 26 THR OG1 : rot -75:sc= 1.85 USER MOD Single : A 27 HIS : no HD1:sc= -0.906 X(o=-0.91,f=-0.42) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -90:sc= 0.0939 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -59:sc= 1.3 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.8!) USER MOD Single : A 56 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.099) USER MOD Single : A 57 ASN : amide:sc= -1.05 K(o=-1.1,f=-6.7!) USER MOD Single : A 61 GLN :FLIP amide:sc= -0.0959 F(o=-2.7!,f=-0.096) USER MOD Single : A 63 HIS : no HD1:sc= -4.26! C(o=-4.3!,f=-7.2!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN :FLIP amide:sc= 0.455 F(o=-2.4!,f=0.46) USER MOD Single : A 81 THR OG1 : rot -54:sc= 1.22 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0164 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.431 X(o=-0.43,f=-0.061) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= 1.06 K(o=1.1,f=-6!) USER MOD Single : A 111 LYS NZ :NH3+ 170:sc= 1.11 (180deg=1.08) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 72:sc= 0.843 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 148:sc= 0.0511 (180deg=-0.515) USER MOD Single : A 127 SER OG : rot -104:sc= 1.46 USER MOD Single : A 131 ASN : amide:sc= 0.994 X(o=0.99,f=0.8) USER MOD Single : A 132 SER OG B: rot 86:sc= 2.24 USER MOD Single : A 132 SER OG C: rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot 87:sc= 1.59 USER MOD Single : A 138 TYR OH : rot -37:sc= 0.778 USER MOD Single : A 146 LYS NZ :NH3+ 172:sc= 0.516 (180deg=0.499) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 MET CE :methyl 154:sc= -0.249 (180deg=-1.31!) USER MOD Single : A 155 HEM CMA :methyl -30:sc= -0.314 (180deg=-1.16) USER MOD Single : A 155 HEM CMB :methyl -30:sc= -1.12 (180deg=-2.92!) USER MOD Single : A 155 HEM CMC :methyl -30:sc= -0.132 (180deg=-2.27!) USER MOD Single : A 155 HEM CMD :methyl -30:sc= -0.284 (180deg=-0.387) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 35.468 49.482 32.421 1.00 54.70 N ATOM 2 CA GLY A 1 36.587 49.012 31.672 1.00 54.01 C ATOM 3 C GLY A 1 36.647 49.411 30.185 1.00 60.73 C ATOM 4 O GLY A 1 37.761 49.964 29.701 0.00 0.00 O ATOM 0 H1 GLY A 1 35.532 49.196 33.261 1.00 54.70 H new ATOM 0 H2 GLY A 1 35.456 50.372 32.411 1.00 54.70 H new ATOM 0 H3 GLY A 1 34.717 49.172 32.059 1.00 54.70 H new ATOM 0 HA2 GLY A 1 37.395 49.332 32.103 1.00 54.01 H new ATOM 0 HA3 GLY A 1 36.601 48.044 31.726 1.00 54.01 H new ATOM 5 N ALA A 2 35.433 49.182 29.553 1.00 56.50 N ATOM 6 CA ALA A 2 35.023 49.494 28.184 1.00 53.01 C ATOM 7 C ALA A 2 34.705 48.251 27.303 1.00 44.90 C ATOM 8 O ALA A 2 33.556 47.972 26.828 1.00 51.31 O ATOM 9 CB ALA A 2 36.012 50.593 27.457 0.00 0.00 C ATOM 0 H ALA A 2 34.791 48.804 29.983 1.00 56.50 H new ATOM 0 HA ALA A 2 34.163 49.933 28.275 1.00 53.01 H new ATOM 0 HB1 ALA A 2 35.698 50.764 26.555 0.00 0.00 H new ATOM 0 HB2 ALA A 2 36.005 51.420 27.964 0.00 0.00 H new ATOM 0 HB3 ALA A 2 36.916 50.243 27.423 0.00 0.00 H new ATOM 10 N LEU A 3 35.751 47.727 26.954 1.00 48.00 N ATOM 11 CA LEU A 3 35.982 46.826 25.861 1.00 31.04 C ATOM 12 C LEU A 3 36.992 47.525 24.871 1.00 33.00 C ATOM 13 O LEU A 3 36.700 47.846 23.722 1.00 33.27 O ATOM 14 CB LEU A 3 34.851 45.802 25.338 1.00 33.62 C ATOM 15 CG LEU A 3 34.642 44.579 26.296 1.00 34.79 C ATOM 16 CD1 LEU A 3 33.146 44.078 26.658 1.00 40.23 C ATOM 17 CD2 LEU A 3 35.218 43.416 25.639 1.00 37.40 C ATOM 0 HA LEU A 3 36.392 46.020 26.213 1.00 31.04 H new ATOM 0 HB2 LEU A 3 34.011 46.278 25.241 1.00 33.62 H new ATOM 0 HB3 LEU A 3 35.097 45.478 24.457 1.00 33.62 H new ATOM 0 HG LEU A 3 35.031 44.903 27.123 1.00 34.79 H new ATOM 0 HD11 LEU A 3 33.196 43.317 27.258 1.00 40.23 H new ATOM 0 HD12 LEU A 3 32.659 44.798 27.089 1.00 40.23 H new ATOM 0 HD13 LEU A 3 32.686 43.818 25.845 1.00 40.23 H new ATOM 0 HD21 LEU A 3 35.107 42.636 26.205 1.00 37.40 H new ATOM 0 HD22 LEU A 3 34.769 43.267 24.792 1.00 37.40 H new ATOM 0 HD23 LEU A 3 36.163 43.568 25.481 1.00 37.40 H new ATOM 18 N THR A 4 38.221 47.623 25.319 1.00 24.26 N ATOM 19 CA THR A 4 39.383 48.063 24.503 1.00 27.72 C ATOM 20 C THR A 4 39.665 46.932 23.592 1.00 17.43 C ATOM 21 O THR A 4 39.120 45.736 23.794 1.00 19.69 O ATOM 22 CB THR A 4 40.614 48.479 25.429 1.00 30.52 C ATOM 23 OG1 THR A 4 40.988 47.246 25.963 1.00 32.45 O ATOM 24 CG2 THR A 4 40.276 49.421 26.572 1.00 29.52 C ATOM 0 H THR A 4 38.433 47.434 26.131 1.00 24.26 H new ATOM 0 HA THR A 4 39.202 48.865 23.988 1.00 27.72 H new ATOM 0 HB THR A 4 41.282 48.962 24.918 1.00 30.52 H new ATOM 0 HG1 THR A 4 41.823 47.166 25.926 1.00 32.45 H new ATOM 0 HG21 THR A 4 41.080 49.618 27.078 1.00 29.52 H new ATOM 0 HG22 THR A 4 39.909 50.245 26.215 1.00 29.52 H new ATOM 0 HG23 THR A 4 39.623 49.002 27.154 1.00 29.52 H new ATOM 25 N GLU A 5 40.489 47.316 22.617 1.00 15.38 N ATOM 26 CA GLU A 5 40.812 46.356 21.672 1.00 18.68 C ATOM 27 C GLU A 5 41.528 45.329 22.388 1.00 28.10 C ATOM 28 O GLU A 5 41.383 44.140 21.966 1.00 26.44 O ATOM 29 CB GLU A 5 41.735 47.181 20.639 1.00 25.78 C ATOM 30 CG GLU A 5 41.968 46.373 19.368 1.00 51.32 C ATOM 31 CD GLU A 5 42.378 47.379 18.223 1.00 54.59 C ATOM 32 OE1 GLU A 5 41.481 47.960 17.674 1.00 49.02 O ATOM 33 OE2 GLU A 5 43.600 47.918 18.115 1.00 48.73 O ATOM 0 H GLU A 5 40.838 48.095 22.516 1.00 15.38 H new ATOM 0 HA GLU A 5 40.081 45.925 21.202 1.00 18.68 H new ATOM 0 HB2 GLU A 5 41.309 48.024 20.419 1.00 25.78 H new ATOM 0 HB3 GLU A 5 42.586 47.393 21.055 1.00 25.78 H new ATOM 0 HG2 GLU A 5 42.666 45.714 19.507 1.00 51.32 H new ATOM 0 HG3 GLU A 5 41.165 45.887 19.122 1.00 51.32 H new ATOM 34 N SER A 6 42.221 45.744 23.475 1.00 20.93 N ATOM 35 CA SER A 6 42.964 44.803 24.170 1.00 17.44 C ATOM 36 C SER A 6 42.016 43.833 25.041 1.00 13.62 C ATOM 37 O SER A 6 42.116 42.592 25.033 1.00 17.77 O ATOM 38 CB SER A 6 44.131 45.537 25.037 1.00 19.06 C ATOM 39 OG SER A 6 43.553 46.016 26.225 1.00 48.63 O ATOM 0 H SER A 6 42.245 46.548 23.781 1.00 20.93 H new ATOM 0 HA SER A 6 43.414 44.220 23.539 1.00 17.44 H new ATOM 0 HB2 SER A 6 44.848 44.915 25.236 1.00 19.06 H new ATOM 0 HB3 SER A 6 44.521 46.267 24.531 1.00 19.06 H new ATOM 0 HG SER A 6 44.140 46.398 26.688 1.00 48.63 H new ATOM 40 N GLN A 7 40.994 44.348 25.569 1.00 9.46 N ATOM 41 CA GLN A 7 39.990 43.403 26.314 1.00 13.74 C ATOM 42 C GLN A 7 39.250 42.293 25.435 1.00 15.64 C ATOM 43 O GLN A 7 39.053 41.077 25.828 1.00 16.83 O ATOM 44 CB GLN A 7 38.953 44.136 27.021 1.00 13.91 C ATOM 45 CG GLN A 7 39.557 44.879 28.276 1.00 22.65 C ATOM 46 CD GLN A 7 38.509 45.684 28.843 1.00 28.63 C ATOM 47 OE1 GLN A 7 38.152 46.621 28.159 1.00 27.89 O ATOM 48 NE2 GLN A 7 38.405 45.648 30.156 1.00 31.85 N ATOM 0 H GLN A 7 40.791 45.184 25.560 1.00 9.46 H new ATOM 0 HA GLN A 7 40.591 42.940 26.919 1.00 13.74 H new ATOM 0 HB2 GLN A 7 38.541 44.780 26.424 1.00 13.91 H new ATOM 0 HB3 GLN A 7 38.255 43.526 27.305 1.00 13.91 H new ATOM 0 HG2 GLN A 7 39.886 44.239 28.926 1.00 22.65 H new ATOM 0 HG3 GLN A 7 40.310 45.432 28.016 1.00 22.65 H new ATOM 0 HE21 GLN A 7 38.675 44.956 30.590 1.00 31.85 H new ATOM 0 HE22 GLN A 7 38.067 46.316 30.579 1.00 31.85 H new ATOM 49 N ALA A 8 38.884 42.737 24.276 1.00 18.25 N ATOM 50 CA ALA A 8 38.082 41.837 23.327 1.00 23.23 C ATOM 51 C ALA A 8 38.865 40.751 22.790 1.00 24.67 C ATOM 52 O ALA A 8 38.283 39.561 22.590 1.00 21.16 O ATOM 53 CB ALA A 8 37.590 42.665 22.163 1.00 14.78 C ATOM 0 H ALA A 8 39.056 43.524 23.975 1.00 18.25 H new ATOM 0 HA ALA A 8 37.353 41.461 23.844 1.00 23.23 H new ATOM 0 HB1 ALA A 8 37.082 42.103 21.558 1.00 14.78 H new ATOM 0 HB2 ALA A 8 37.024 43.381 22.491 1.00 14.78 H new ATOM 0 HB3 ALA A 8 38.348 43.044 21.692 1.00 14.78 H new ATOM 54 N ALA A 9 40.172 41.138 22.618 1.00 23.68 N ATOM 55 CA ALA A 9 41.069 40.190 22.185 1.00 17.93 C ATOM 56 C ALA A 9 41.194 39.148 23.279 1.00 16.93 C ATOM 57 O ALA A 9 41.412 37.990 22.963 1.00 22.21 O ATOM 58 CB ALA A 9 42.503 40.951 21.959 1.00 20.35 C ATOM 0 H ALA A 9 40.488 41.926 22.757 1.00 23.68 H new ATOM 0 HA ALA A 9 40.789 39.762 21.361 1.00 17.93 H new ATOM 0 HB1 ALA A 9 43.164 40.311 21.652 1.00 20.35 H new ATOM 0 HB2 ALA A 9 42.397 41.650 21.295 1.00 20.35 H new ATOM 0 HB3 ALA A 9 42.797 41.343 22.796 1.00 20.35 H new ATOM 59 N LEU A 10 41.063 39.554 24.528 1.00 14.19 N ATOM 60 CA LEU A 10 41.192 38.612 25.637 1.00 16.53 C ATOM 61 C LEU A 10 39.892 37.618 25.783 1.00 16.33 C ATOM 62 O LEU A 10 39.939 36.407 26.068 1.00 13.75 O ATOM 63 CB LEU A 10 41.427 39.420 26.954 1.00 18.61 C ATOM 64 CG LEU A 10 42.884 40.175 27.107 1.00 20.94 C ATOM 65 CD1 LEU A 10 42.983 40.992 28.431 1.00 20.56 C ATOM 66 CD2 LEU A 10 43.855 39.112 27.168 1.00 25.63 C ATOM 0 H LEU A 10 40.900 40.366 24.761 1.00 14.19 H new ATOM 0 HA LEU A 10 41.950 38.033 25.458 1.00 16.53 H new ATOM 0 HB2 LEU A 10 40.729 40.090 27.027 1.00 18.61 H new ATOM 0 HB3 LEU A 10 41.319 38.815 27.704 1.00 18.61 H new ATOM 0 HG LEU A 10 43.019 40.793 26.372 1.00 20.94 H new ATOM 0 HD11 LEU A 10 43.852 41.420 28.483 1.00 20.56 H new ATOM 0 HD12 LEU A 10 42.289 41.669 28.446 1.00 20.56 H new ATOM 0 HD13 LEU A 10 42.870 40.396 29.188 1.00 20.56 H new ATOM 0 HD21 LEU A 10 44.744 39.490 27.259 1.00 25.63 H new ATOM 0 HD22 LEU A 10 43.666 38.544 27.931 1.00 25.63 H new ATOM 0 HD23 LEU A 10 43.810 38.585 26.355 1.00 25.63 H new ATOM 67 N VAL A 11 38.747 38.118 25.549 1.00 19.21 N ATOM 68 CA VAL A 11 37.441 37.186 25.497 1.00 17.37 C ATOM 69 C VAL A 11 37.419 36.153 24.362 1.00 16.47 C ATOM 70 O VAL A 11 37.061 34.919 24.581 1.00 16.40 O ATOM 71 CB VAL A 11 36.233 37.964 25.440 1.00 17.69 C ATOM 72 CG1 VAL A 11 34.836 37.048 25.244 1.00 14.78 C ATOM 73 CG2 VAL A 11 36.199 38.839 26.699 1.00 7.89 C ATOM 0 H VAL A 11 38.601 38.954 25.409 1.00 19.21 H new ATOM 0 HA VAL A 11 37.486 36.687 26.328 1.00 17.37 H new ATOM 0 HB VAL A 11 36.247 38.516 24.643 1.00 17.69 H new ATOM 0 HG11 VAL A 11 34.065 37.636 25.214 1.00 14.78 H new ATOM 0 HG12 VAL A 11 34.892 36.546 24.416 1.00 14.78 H new ATOM 0 HG13 VAL A 11 34.745 36.433 25.989 1.00 14.78 H new ATOM 0 HG21 VAL A 11 35.394 39.381 26.695 1.00 7.89 H new ATOM 0 HG22 VAL A 11 36.204 38.273 27.487 1.00 7.89 H new ATOM 0 HG23 VAL A 11 36.977 39.418 26.712 1.00 7.89 H new ATOM 74 N LYS A 12 37.945 36.610 23.211 1.00 17.39 N ATOM 75 CA LYS A 12 37.930 35.698 22.067 1.00 13.81 C ATOM 76 C LYS A 12 38.784 34.601 22.279 1.00 10.42 C ATOM 77 O LYS A 12 38.394 33.415 21.909 1.00 14.22 O ATOM 78 CB LYS A 12 38.368 36.498 20.791 1.00 17.45 C ATOM 79 CG LYS A 12 38.120 35.562 19.578 1.00 27.23 C ATOM 80 CD LYS A 12 38.475 36.328 18.281 1.00 34.57 C ATOM 81 CE LYS A 12 38.454 35.315 17.105 1.00 40.38 C ATOM 82 NZ LYS A 12 37.084 34.543 16.936 0.00 0.00 N ATOM 0 H LYS A 12 38.290 37.387 23.081 1.00 17.39 H new ATOM 0 HA LYS A 12 37.034 35.345 21.948 1.00 13.81 H new ATOM 0 HB2 LYS A 12 37.857 37.318 20.705 1.00 17.45 H new ATOM 0 HB3 LYS A 12 39.303 36.751 20.846 1.00 17.45 H new ATOM 0 HG2 LYS A 12 38.662 34.761 19.655 1.00 27.23 H new ATOM 0 HG3 LYS A 12 37.193 35.277 19.557 1.00 27.23 H new ATOM 0 HD2 LYS A 12 37.838 37.043 18.124 1.00 34.57 H new ATOM 0 HD3 LYS A 12 39.350 36.739 18.359 1.00 34.57 H new ATOM 0 HE2 LYS A 12 38.651 35.788 16.281 1.00 40.38 H new ATOM 0 HE3 LYS A 12 39.164 34.667 17.237 1.00 40.38 H new ATOM 0 HZ1 LYS A 12 37.142 33.982 16.247 0.00 0.00 H new ATOM 0 HZ2 LYS A 12 36.908 34.084 17.678 0.00 0.00 H new ATOM 0 HZ3 LYS A 12 36.430 35.128 16.787 0.00 0.00 H new ATOM 83 N SER A 13 39.982 35.035 22.746 1.00 12.84 N ATOM 84 CA SER A 13 40.924 34.072 22.978 1.00 13.02 C ATOM 85 C SER A 13 40.424 33.006 24.052 1.00 15.97 C ATOM 86 O SER A 13 40.545 31.770 23.931 1.00 12.38 O ATOM 87 CB SER A 13 42.238 34.960 23.482 1.00 6.52 C ATOM 88 OG SER A 13 43.150 34.040 23.783 1.00 46.46 O ATOM 0 H SER A 13 40.207 35.849 22.910 1.00 12.84 H new ATOM 0 HA SER A 13 41.129 33.526 22.203 1.00 13.02 H new ATOM 0 HB2 SER A 13 42.552 35.557 22.785 1.00 6.52 H new ATOM 0 HB3 SER A 13 42.021 35.511 24.251 1.00 6.52 H new ATOM 0 HG SER A 13 43.074 33.823 24.591 1.00 46.46 H new ATOM 89 N SER A 14 39.829 33.455 25.133 1.00 15.29 N ATOM 90 CA SER A 14 39.239 32.532 26.209 1.00 14.50 C ATOM 91 C SER A 14 37.942 31.630 25.763 1.00 15.96 C ATOM 92 O SER A 14 37.735 30.416 26.072 1.00 14.27 O ATOM 93 CB SER A 14 38.958 33.330 27.468 1.00 11.30 C ATOM 94 OG SER A 14 38.000 34.230 27.166 1.00 17.87 O ATOM 0 H SER A 14 39.733 34.292 25.305 1.00 15.29 H new ATOM 0 HA SER A 14 39.923 31.864 26.374 1.00 14.50 H new ATOM 0 HB2 SER A 14 38.665 32.746 28.185 1.00 11.30 H new ATOM 0 HB3 SER A 14 39.762 33.777 27.777 1.00 11.30 H new ATOM 0 HG SER A 14 37.887 34.251 26.334 1.00 17.87 H new ATOM 95 N TRP A 15 37.205 32.126 24.874 1.00 14.12 N ATOM 96 CA TRP A 15 36.077 31.303 24.228 1.00 20.13 C ATOM 97 C TRP A 15 36.485 30.211 23.293 1.00 19.79 C ATOM 98 O TRP A 15 35.866 29.015 23.289 1.00 13.72 O ATOM 99 CB TRP A 15 35.171 32.245 23.549 1.00 15.69 C ATOM 100 CG TRP A 15 33.887 31.350 23.050 1.00 31.21 C ATOM 101 CD1 TRP A 15 32.794 30.590 23.694 1.00 29.36 C ATOM 102 CD2 TRP A 15 33.764 31.005 21.724 1.00 23.80 C ATOM 103 NE1 TRP A 15 31.957 29.794 22.726 1.00 26.11 N ATOM 104 CE2 TRP A 15 32.540 30.067 21.585 1.00 32.73 C ATOM 105 CE3 TRP A 15 34.653 31.404 20.702 1.00 19.60 C ATOM 106 CZ2 TRP A 15 32.149 29.519 20.353 1.00 35.82 C ATOM 107 CZ3 TRP A 15 34.288 30.828 19.482 1.00 36.36 C ATOM 108 CH2 TRP A 15 33.065 29.921 19.305 1.00 43.10 C ATOM 0 H TRP A 15 37.278 32.930 24.577 1.00 14.12 H new ATOM 0 HA TRP A 15 35.651 30.820 24.954 1.00 20.13 H new ATOM 0 HB2 TRP A 15 34.890 32.952 24.151 1.00 15.69 H new ATOM 0 HB3 TRP A 15 35.612 32.671 22.797 1.00 15.69 H new ATOM 0 HD1 TRP A 15 32.638 30.602 24.611 1.00 29.36 H new ATOM 0 HE1 TRP A 15 31.276 29.293 22.882 1.00 26.11 H new ATOM 0 HE3 TRP A 15 35.380 31.971 20.824 1.00 19.60 H new ATOM 0 HZ2 TRP A 15 31.406 28.974 20.227 1.00 35.82 H new ATOM 0 HZ3 TRP A 15 34.816 31.005 18.737 1.00 36.36 H new ATOM 0 HH2 TRP A 15 32.896 29.600 18.449 1.00 43.10 H new ATOM 109 N GLU A 16 37.571 30.566 22.574 1.00 17.68 N ATOM 110 CA GLU A 16 38.097 29.535 21.778 1.00 18.79 C ATOM 111 C GLU A 16 38.576 28.461 22.657 1.00 18.91 C ATOM 112 O GLU A 16 38.183 27.251 22.345 1.00 20.09 O ATOM 113 CB GLU A 16 39.256 30.219 20.861 1.00 24.61 C ATOM 114 CG GLU A 16 38.675 31.116 19.806 1.00 38.87 C ATOM 115 CD GLU A 16 39.771 31.843 18.886 1.00 43.83 C ATOM 116 OE1 GLU A 16 40.933 32.273 19.349 1.00 42.67 O ATOM 117 OE2 GLU A 16 39.360 32.522 17.974 1.00 43.99 O ATOM 0 H GLU A 16 37.962 31.332 22.553 1.00 17.68 H new ATOM 0 HA GLU A 16 37.447 29.121 21.188 1.00 18.79 H new ATOM 0 HB2 GLU A 16 39.856 30.731 21.426 1.00 24.61 H new ATOM 0 HB3 GLU A 16 39.787 29.525 20.439 1.00 24.61 H new ATOM 0 HG2 GLU A 16 38.087 30.593 19.239 1.00 38.87 H new ATOM 0 HG3 GLU A 16 38.128 31.792 20.236 1.00 38.87 H new ATOM 118 N GLU A 17 39.238 28.882 23.794 1.00 8.21 N ATOM 119 CA GLU A 17 39.600 27.855 24.687 1.00 11.41 C ATOM 120 C GLU A 17 38.365 26.924 25.238 1.00 21.21 C ATOM 121 O GLU A 17 38.388 25.674 25.308 1.00 16.57 O ATOM 122 CB GLU A 17 40.441 28.478 25.854 1.00 9.96 C ATOM 123 CG GLU A 17 41.928 28.890 25.482 1.00 37.28 C ATOM 124 CD GLU A 17 42.750 29.081 26.778 1.00 41.13 C ATOM 125 OE1 GLU A 17 43.116 28.085 27.379 1.00 40.38 O ATOM 126 OE2 GLU A 17 42.533 30.040 27.487 1.00 39.96 O ATOM 0 H GLU A 17 39.447 29.688 24.008 1.00 8.21 H new ATOM 0 HA GLU A 17 40.135 27.222 24.183 1.00 11.41 H new ATOM 0 HB2 GLU A 17 39.977 29.264 26.182 1.00 9.96 H new ATOM 0 HB3 GLU A 17 40.472 27.841 26.585 1.00 9.96 H new ATOM 0 HG2 GLU A 17 42.334 28.206 24.928 1.00 37.28 H new ATOM 0 HG3 GLU A 17 41.927 29.710 24.964 1.00 37.28 H new ATOM 127 N PHE A 18 37.310 27.503 25.590 1.00 17.15 N ATOM 128 CA PHE A 18 36.037 26.708 26.083 1.00 13.30 C ATOM 129 C PHE A 18 35.475 25.655 25.022 1.00 14.32 C ATOM 130 O PHE A 18 35.084 24.437 25.308 1.00 14.08 O ATOM 131 CB PHE A 18 34.988 27.682 26.367 1.00 11.80 C ATOM 132 CG PHE A 18 33.561 26.938 26.737 1.00 16.19 C ATOM 133 CD1 PHE A 18 33.279 26.569 28.035 1.00 16.75 C ATOM 134 CD2 PHE A 18 32.576 26.621 25.770 1.00 18.98 C ATOM 135 CE1 PHE A 18 32.026 25.851 28.368 1.00 15.89 C ATOM 136 CE2 PHE A 18 31.328 25.900 26.099 1.00 11.55 C ATOM 137 CZ PHE A 18 31.067 25.517 27.408 1.00 5.36 C ATOM 0 H PHE A 18 37.211 28.357 25.586 1.00 17.15 H new ATOM 0 HA PHE A 18 36.302 26.197 26.864 1.00 13.30 H new ATOM 0 HB2 PHE A 18 35.261 28.248 27.106 1.00 11.80 H new ATOM 0 HB3 PHE A 18 34.864 28.260 25.598 1.00 11.80 H new ATOM 0 HD1 PHE A 18 33.884 26.774 28.711 1.00 16.75 H new ATOM 0 HD2 PHE A 18 32.721 26.878 24.888 1.00 18.98 H new ATOM 0 HE1 PHE A 18 31.871 25.613 29.254 1.00 15.89 H new ATOM 0 HE2 PHE A 18 30.716 25.702 25.427 1.00 11.55 H new ATOM 0 HZ PHE A 18 30.290 25.059 27.635 1.00 5.36 H new ATOM 138 N ASN A 19 35.444 26.118 23.805 1.00 19.34 N ATOM 139 CA ASN A 19 34.810 25.271 22.718 1.00 13.06 C ATOM 140 C ASN A 19 35.626 24.149 22.382 1.00 20.73 C ATOM 141 O ASN A 19 35.133 23.157 21.696 1.00 23.10 O ATOM 142 CB ASN A 19 34.859 26.201 21.517 1.00 20.32 C ATOM 143 CG ASN A 19 33.481 25.981 20.871 1.00 40.28 C ATOM 144 OD1 ASN A 19 32.471 25.882 21.624 1.00 41.54 O ATOM 145 ND2 ASN A 19 33.467 25.519 19.649 1.00 43.64 N ATOM 0 H ASN A 19 35.757 26.878 23.552 1.00 19.34 H new ATOM 0 HA ASN A 19 33.936 24.942 22.982 1.00 13.06 H new ATOM 0 HB2 ASN A 19 34.991 27.125 21.781 1.00 20.32 H new ATOM 0 HB3 ASN A 19 35.582 25.972 20.912 1.00 20.32 H new ATOM 0 HD21 ASN A 19 32.760 25.138 19.341 1.00 43.64 H new ATOM 0 HD22 ASN A 19 34.165 25.596 19.152 1.00 43.64 H new ATOM 146 N ALA A 20 36.863 24.288 22.841 1.00 22.65 N ATOM 147 CA ALA A 20 37.739 23.330 22.507 1.00 20.36 C ATOM 148 C ALA A 20 37.360 22.066 23.329 1.00 26.30 C ATOM 149 O ALA A 20 37.801 20.996 23.027 1.00 25.11 O ATOM 150 CB ALA A 20 39.219 23.900 22.899 1.00 30.26 C ATOM 0 H ALA A 20 37.158 24.930 23.331 1.00 22.65 H new ATOM 0 HA ALA A 20 37.731 23.098 21.565 1.00 20.36 H new ATOM 0 HB1 ALA A 20 39.891 23.238 22.674 1.00 30.26 H new ATOM 0 HB2 ALA A 20 39.393 24.717 22.405 1.00 30.26 H new ATOM 0 HB3 ALA A 20 39.253 24.085 23.851 1.00 30.26 H new ATOM 151 N ASN A 21 36.531 22.158 24.346 1.00 14.17 N ATOM 152 CA ASN A 21 36.079 20.840 25.058 1.00 15.71 C ATOM 153 C ASN A 21 34.668 20.762 25.639 1.00 17.94 C ATOM 154 O ASN A 21 34.531 20.827 26.885 1.00 18.29 O ATOM 155 CB ASN A 21 37.032 20.628 26.197 1.00 10.31 C ATOM 156 CG ASN A 21 36.921 19.137 26.541 1.00 15.25 C ATOM 157 OD1 ASN A 21 35.723 18.445 26.408 1.00 25.38 O flip ATOM 158 ND2 ASN A 21 37.756 18.806 27.377 1.00 16.18 N flip ATOM 0 H ASN A 21 36.207 22.888 24.664 1.00 14.17 H new ATOM 0 HA ASN A 21 36.078 20.172 24.355 1.00 15.71 H new ATOM 0 HB2 ASN A 21 37.938 20.863 25.944 1.00 10.31 H new ATOM 0 HB3 ASN A 21 36.797 21.182 26.958 1.00 10.31 H new ATOM 0 HD21 ASN A 21 38.492 19.245 27.446 1.00 16.18 H new ATOM 0 HD22 ASN A 21 37.605 18.135 27.893 1.00 16.18 H new ATOM 159 N ILE A 22 33.724 20.782 24.748 1.00 9.34 N ATOM 160 CA ILE A 22 32.306 20.772 25.094 1.00 8.01 C ATOM 161 C ILE A 22 31.805 19.693 26.108 1.00 7.98 C ATOM 162 O ILE A 22 31.175 20.025 27.096 1.00 11.25 O ATOM 163 CB ILE A 22 31.364 20.732 23.862 1.00 15.04 C ATOM 164 CG1 ILE A 22 31.585 22.106 23.117 1.00 19.69 C ATOM 165 CG2 ILE A 22 29.836 20.241 24.140 1.00 11.26 C ATOM 166 CD1 ILE A 22 31.142 23.317 23.881 1.00 19.46 C ATOM 0 H ILE A 22 33.874 20.802 23.902 1.00 9.34 H new ATOM 0 HA ILE A 22 32.253 21.624 25.554 1.00 8.01 H new ATOM 0 HB ILE A 22 31.597 20.007 23.261 1.00 15.04 H new ATOM 0 HG12 ILE A 22 32.528 22.198 22.909 1.00 19.69 H new ATOM 0 HG13 ILE A 22 31.109 22.081 22.272 1.00 19.69 H new ATOM 0 HG21 ILE A 22 29.336 20.253 23.309 1.00 11.26 H new ATOM 0 HG22 ILE A 22 29.846 19.340 24.498 1.00 11.26 H new ATOM 0 HG23 ILE A 22 29.415 20.838 24.779 1.00 11.26 H new ATOM 0 HD11 ILE A 22 31.313 24.113 23.354 1.00 19.46 H new ATOM 0 HD12 ILE A 22 30.193 23.252 24.069 1.00 19.46 H new ATOM 0 HD13 ILE A 22 31.633 23.371 24.716 1.00 19.46 H new ATOM 167 N PRO A 23 32.053 18.460 25.966 1.00 15.06 N ATOM 168 CA PRO A 23 31.396 17.440 26.913 1.00 9.01 C ATOM 169 C PRO A 23 31.900 17.701 28.331 1.00 17.89 C ATOM 170 O PRO A 23 31.053 17.577 29.269 1.00 17.33 O ATOM 171 CB PRO A 23 31.694 16.049 26.434 1.00 12.69 C ATOM 172 CG PRO A 23 32.135 16.260 24.970 1.00 14.86 C ATOM 173 CD PRO A 23 32.625 17.809 24.811 1.00 11.41 C ATOM 0 HA PRO A 23 30.431 17.534 26.919 1.00 9.01 H new ATOM 0 HB2 PRO A 23 32.393 15.632 26.961 1.00 12.69 H new ATOM 0 HB3 PRO A 23 30.914 15.476 26.493 1.00 12.69 H new ATOM 0 HG2 PRO A 23 32.855 15.651 24.741 1.00 14.86 H new ATOM 0 HG3 PRO A 23 31.401 16.072 24.364 1.00 14.86 H new ATOM 0 HD2 PRO A 23 33.592 17.879 24.803 1.00 11.41 H new ATOM 0 HD3 PRO A 23 32.305 18.202 23.984 1.00 11.41 H new ATOM 174 N LYS A 24 33.201 18.214 28.463 1.00 17.82 N ATOM 175 CA LYS A 24 33.711 18.534 29.809 1.00 19.00 C ATOM 176 C LYS A 24 33.187 19.779 30.385 1.00 17.28 C ATOM 177 O LYS A 24 32.735 19.759 31.560 1.00 15.01 O ATOM 178 CB LYS A 24 35.281 18.780 29.773 1.00 17.15 C ATOM 179 CG LYS A 24 35.842 18.882 31.217 1.00 27.75 C ATOM 180 CD LYS A 24 37.396 18.966 31.271 1.00 36.63 C ATOM 181 CE LYS A 24 38.211 20.266 30.683 0.00 0.00 C ATOM 182 NZ LYS A 24 39.671 20.277 30.884 0.00 0.00 N ATOM 0 H LYS A 24 33.745 18.364 27.814 1.00 17.82 H new ATOM 0 HA LYS A 24 33.434 17.769 30.338 1.00 19.00 H new ATOM 0 HB2 LYS A 24 35.718 18.055 29.300 1.00 17.15 H new ATOM 0 HB3 LYS A 24 35.476 19.595 29.285 1.00 17.15 H new ATOM 0 HG2 LYS A 24 35.467 19.666 31.648 1.00 27.75 H new ATOM 0 HG3 LYS A 24 35.548 18.110 31.726 1.00 27.75 H new ATOM 0 HD2 LYS A 24 37.650 18.873 32.202 1.00 36.63 H new ATOM 0 HD3 LYS A 24 37.736 18.186 30.804 1.00 36.63 H new ATOM 0 HE2 LYS A 24 38.036 20.328 29.731 0.00 0.00 H new ATOM 0 HE3 LYS A 24 37.843 21.065 31.092 0.00 0.00 H new ATOM 0 HZ1 LYS A 24 40.014 21.019 30.531 0.00 0.00 H new ATOM 0 HZ2 LYS A 24 39.851 20.253 31.755 0.00 0.00 H new ATOM 0 HZ3 LYS A 24 40.031 19.566 30.487 0.00 0.00 H new ATOM 183 N HIS A 25 33.373 20.877 29.608 1.00 9.44 N ATOM 184 CA HIS A 25 33.087 22.175 30.131 1.00 9.11 C ATOM 185 C HIS A 25 31.604 22.285 30.389 1.00 10.16 C ATOM 186 O HIS A 25 31.258 22.985 31.338 1.00 11.82 O ATOM 187 CB HIS A 25 33.724 23.337 29.240 1.00 5.33 C ATOM 188 CG HIS A 25 35.248 23.385 29.133 1.00 16.33 C ATOM 189 ND1 HIS A 25 36.081 23.653 28.071 1.00 21.68 N flip ATOM 190 CD2 HIS A 25 35.987 23.083 30.230 1.00 13.84 C flip ATOM 191 CE1 HIS A 25 37.412 23.494 28.495 1.00 16.83 C flip ATOM 192 NE2 HIS A 25 37.360 23.159 29.824 1.00 18.25 N flip ATOM 0 H HIS A 25 33.659 20.863 28.797 1.00 9.44 H new ATOM 0 HA HIS A 25 33.524 22.298 30.988 1.00 9.11 H new ATOM 0 HB2 HIS A 25 33.363 23.259 28.343 1.00 5.33 H new ATOM 0 HB3 HIS A 25 33.421 24.187 29.595 1.00 5.33 H new ATOM 0 HD1 HIS A 25 35.830 23.880 27.280 1.00 21.68 H new ATOM 0 HD2 HIS A 25 35.667 22.869 31.077 1.00 13.84 H new ATOM 0 HE1 HIS A 25 38.177 23.596 27.976 1.00 16.83 H new ATOM 193 N THR A 26 30.739 21.598 29.596 1.00 13.92 N ATOM 194 CA THR A 26 29.284 21.578 29.756 1.00 10.91 C ATOM 195 C THR A 26 28.712 20.703 30.940 1.00 8.21 C ATOM 196 O THR A 26 27.825 21.078 31.681 1.00 10.87 O ATOM 197 CB THR A 26 28.499 21.124 28.451 1.00 14.57 C ATOM 198 OG1 THR A 26 28.703 19.775 28.094 1.00 12.34 O ATOM 199 CG2 THR A 26 28.895 22.136 27.285 1.00 13.92 C ATOM 0 H THR A 26 31.007 21.120 28.933 1.00 13.92 H new ATOM 0 HA THR A 26 29.128 22.513 29.961 1.00 10.91 H new ATOM 0 HB THR A 26 27.546 21.163 28.627 1.00 14.57 H new ATOM 0 HG1 THR A 26 29.465 19.688 27.752 1.00 12.34 H new ATOM 0 HG21 THR A 26 28.432 21.888 26.470 1.00 13.92 H new ATOM 0 HG22 THR A 26 28.642 23.037 27.539 1.00 13.92 H new ATOM 0 HG23 THR A 26 29.853 22.100 27.136 1.00 13.92 H new ATOM 200 N HIS A 27 29.281 19.634 31.190 1.00 10.05 N ATOM 201 CA HIS A 27 28.842 18.811 32.363 1.00 8.29 C ATOM 202 C HIS A 27 29.337 19.598 33.622 1.00 8.26 C ATOM 203 O HIS A 27 28.599 19.600 34.645 1.00 8.52 O ATOM 204 CB HIS A 27 29.495 17.521 32.246 1.00 11.70 C ATOM 205 CG HIS A 27 29.510 16.733 33.553 1.00 13.39 C ATOM 206 ND1 HIS A 27 28.381 15.788 33.950 1.00 18.11 N ATOM 207 CD2 HIS A 27 30.494 16.761 34.441 1.00 12.40 C ATOM 208 CE1 HIS A 27 28.711 15.237 35.155 1.00 14.60 C ATOM 209 NE2 HIS A 27 30.033 15.857 35.441 1.00 20.07 N ATOM 0 H HIS A 27 29.932 19.305 30.734 1.00 10.05 H new ATOM 0 HA HIS A 27 27.885 18.664 32.416 1.00 8.29 H new ATOM 0 HB2 HIS A 27 29.044 16.998 31.565 1.00 11.70 H new ATOM 0 HB3 HIS A 27 30.407 17.653 31.945 1.00 11.70 H new ATOM 0 HD2 HIS A 27 31.286 17.248 34.417 1.00 12.40 H new ATOM 0 HE1 HIS A 27 28.231 14.628 35.668 1.00 14.60 H new ATOM 0 HE2 HIS A 27 30.483 15.684 36.153 1.00 20.07 H new ATOM 210 N ARG A 28 30.576 20.260 33.547 1.00 11.96 N ATOM 211 CA ARG A 28 31.139 21.102 34.648 1.00 14.37 C ATOM 212 C ARG A 28 30.294 22.229 34.957 1.00 14.50 C ATOM 213 O ARG A 28 30.140 22.576 36.144 1.00 14.76 O ATOM 214 CB ARG A 28 32.638 21.694 34.309 1.00 12.89 C ATOM 215 CG ARG A 28 33.302 22.474 35.525 1.00 32.43 C ATOM 216 CD ARG A 28 33.423 21.519 36.715 1.00 34.26 C ATOM 217 NE ARG A 28 33.959 22.333 37.862 1.00 39.09 N ATOM 218 CZ ARG A 28 33.820 22.028 39.130 1.00 38.88 C ATOM 219 NH1 ARG A 28 33.132 20.860 39.502 1.00 37.25 N ATOM 220 NH2 ARG A 28 34.451 22.904 40.010 1.00 39.35 N ATOM 0 H ARG A 28 31.086 20.217 32.856 1.00 11.96 H new ATOM 0 HA ARG A 28 31.193 20.499 35.406 1.00 14.37 H new ATOM 0 HB2 ARG A 28 33.217 20.960 34.050 1.00 12.89 H new ATOM 0 HB3 ARG A 28 32.578 22.290 33.546 1.00 12.89 H new ATOM 0 HG2 ARG A 28 34.177 22.808 35.272 1.00 32.43 H new ATOM 0 HG3 ARG A 28 32.763 23.244 35.765 1.00 32.43 H new ATOM 0 HD2 ARG A 28 32.561 21.134 36.938 1.00 34.26 H new ATOM 0 HD3 ARG A 28 34.018 20.782 36.507 1.00 34.26 H new ATOM 0 HE ARG A 28 34.389 23.053 37.671 1.00 39.09 H new ATOM 0 HH11 ARG A 28 32.802 20.345 38.898 1.00 37.25 H new ATOM 0 HH12 ARG A 28 33.041 20.661 40.334 1.00 37.25 H new ATOM 0 HH21 ARG A 28 34.887 23.580 39.705 1.00 39.35 H new ATOM 0 HH22 ARG A 28 34.404 22.769 40.858 1.00 39.35 H new ATOM 221 N PHE A 29 29.911 22.919 33.924 1.00 11.35 N ATOM 222 CA PHE A 29 29.086 24.004 34.074 1.00 7.11 C ATOM 223 C PHE A 29 27.809 23.485 34.875 1.00 11.57 C ATOM 224 O PHE A 29 27.507 24.160 35.858 1.00 8.61 O ATOM 225 CB PHE A 29 28.674 24.450 32.665 1.00 6.64 C ATOM 226 CG PHE A 29 27.545 25.338 32.660 1.00 14.43 C ATOM 227 CD1 PHE A 29 27.785 26.631 33.195 1.00 8.31 C ATOM 228 CD2 PHE A 29 26.270 24.819 32.175 1.00 11.53 C ATOM 229 CE1 PHE A 29 26.775 27.434 33.249 1.00 9.62 C ATOM 230 CE2 PHE A 29 25.234 25.626 32.247 1.00 16.95 C ATOM 231 CZ PHE A 29 25.500 26.939 32.779 1.00 11.11 C ATOM 0 H PHE A 29 30.140 22.748 33.113 1.00 11.35 H new ATOM 0 HA PHE A 29 29.504 24.743 34.544 1.00 7.11 H new ATOM 0 HB2 PHE A 29 29.426 24.890 32.239 1.00 6.64 H new ATOM 0 HB3 PHE A 29 28.464 23.667 32.133 1.00 6.64 H new ATOM 0 HD1 PHE A 29 28.628 26.887 33.492 1.00 8.31 H new ATOM 0 HD2 PHE A 29 26.194 23.958 31.831 1.00 11.53 H new ATOM 0 HE1 PHE A 29 26.864 28.299 33.578 1.00 9.62 H new ATOM 0 HE2 PHE A 29 24.384 25.366 31.972 1.00 16.95 H new ATOM 0 HZ PHE A 29 24.780 27.526 32.825 1.00 11.11 H new ATOM 232 N PHE A 30 27.089 22.290 34.519 1.00 12.85 N ATOM 233 CA PHE A 30 25.835 21.731 35.269 1.00 8.19 C ATOM 234 C PHE A 30 26.076 21.248 36.689 1.00 12.13 C ATOM 235 O PHE A 30 25.287 21.496 37.584 1.00 11.68 O ATOM 236 CB PHE A 30 24.873 20.631 34.508 1.00 3.79 C ATOM 237 CG PHE A 30 24.003 21.316 33.536 1.00 12.56 C ATOM 238 CD1 PHE A 30 24.288 21.332 32.181 1.00 9.52 C ATOM 239 CD2 PHE A 30 22.927 21.897 34.029 1.00 12.24 C ATOM 240 CE1 PHE A 30 23.477 21.926 31.286 1.00 13.14 C ATOM 241 CE2 PHE A 30 22.132 22.512 33.159 1.00 15.83 C ATOM 242 CZ PHE A 30 22.410 22.524 31.779 1.00 15.13 C ATOM 0 H PHE A 30 27.319 21.802 33.850 1.00 12.85 H new ATOM 0 HA PHE A 30 25.337 22.563 35.278 1.00 8.19 H new ATOM 0 HB2 PHE A 30 25.419 19.969 34.055 1.00 3.79 H new ATOM 0 HB3 PHE A 30 24.333 20.156 35.159 1.00 3.79 H new ATOM 0 HD1 PHE A 30 25.065 20.919 31.880 1.00 9.52 H new ATOM 0 HD2 PHE A 30 22.734 21.878 34.939 1.00 12.24 H new ATOM 0 HE1 PHE A 30 23.658 21.915 30.374 1.00 13.14 H new ATOM 0 HE2 PHE A 30 21.371 22.946 33.471 1.00 15.83 H new ATOM 0 HZ PHE A 30 21.828 22.964 31.202 1.00 15.13 H new ATOM 243 N ILE A 31 27.226 20.794 36.949 1.00 6.94 N ATOM 244 CA ILE A 31 27.562 20.517 38.339 1.00 5.80 C ATOM 245 C ILE A 31 27.776 21.821 39.151 1.00 5.66 C ATOM 246 O ILE A 31 27.323 21.817 40.313 1.00 10.64 O ATOM 247 CB ILE A 31 28.925 19.973 38.361 1.00 8.06 C ATOM 248 CG1 ILE A 31 28.779 18.606 37.660 1.00 13.28 C ATOM 249 CG2 ILE A 31 29.475 19.837 39.786 1.00 10.88 C ATOM 250 CD1 ILE A 31 27.737 17.581 38.384 1.00 20.55 C ATOM 0 H ILE A 31 27.842 20.629 36.372 1.00 6.94 H new ATOM 0 HA ILE A 31 26.853 19.957 38.692 1.00 5.80 H new ATOM 0 HB ILE A 31 29.564 20.554 37.919 1.00 8.06 H new ATOM 0 HG12 ILE A 31 28.488 18.753 36.747 1.00 13.28 H new ATOM 0 HG13 ILE A 31 29.651 18.184 37.615 1.00 13.28 H new ATOM 0 HG21 ILE A 31 30.374 19.475 39.753 1.00 10.88 H new ATOM 0 HG22 ILE A 31 29.493 20.709 40.211 1.00 10.88 H new ATOM 0 HG23 ILE A 31 28.906 19.241 40.297 1.00 10.88 H new ATOM 0 HD11 ILE A 31 27.702 16.750 37.886 1.00 20.55 H new ATOM 0 HD12 ILE A 31 28.035 17.402 39.290 1.00 20.55 H new ATOM 0 HD13 ILE A 31 26.854 17.981 38.408 1.00 20.55 H new ATOM 251 N LEU A 32 28.444 22.902 38.594 1.00 6.16 N ATOM 252 CA LEU A 32 28.691 24.195 39.352 1.00 3.96 C ATOM 253 C LEU A 32 27.390 24.809 39.504 1.00 9.67 C ATOM 254 O LEU A 32 27.191 25.416 40.551 1.00 11.06 O ATOM 255 CB LEU A 32 29.658 25.221 38.525 1.00 13.32 C ATOM 256 CG LEU A 32 31.095 24.883 38.491 1.00 12.57 C ATOM 257 CD1 LEU A 32 31.927 25.789 37.448 1.00 15.27 C ATOM 258 CD2 LEU A 32 31.774 25.078 39.885 1.00 13.77 C ATOM 0 H LEU A 32 28.755 22.904 37.792 1.00 6.16 H new ATOM 0 HA LEU A 32 29.132 24.007 40.195 1.00 3.96 H new ATOM 0 HB2 LEU A 32 29.336 25.273 37.611 1.00 13.32 H new ATOM 0 HB3 LEU A 32 29.563 26.106 38.910 1.00 13.32 H new ATOM 0 HG LEU A 32 31.118 23.952 38.218 1.00 12.57 H new ATOM 0 HD11 LEU A 32 32.861 25.527 37.465 1.00 15.27 H new ATOM 0 HD12 LEU A 32 31.572 25.662 36.554 1.00 15.27 H new ATOM 0 HD13 LEU A 32 31.849 26.723 37.697 1.00 15.27 H new ATOM 0 HD21 LEU A 32 32.714 24.847 39.822 1.00 13.77 H new ATOM 0 HD22 LEU A 32 31.687 26.004 40.161 1.00 13.77 H new ATOM 0 HD23 LEU A 32 31.343 24.505 40.538 1.00 13.77 H new ATOM 259 N VAL A 33 26.469 24.622 38.538 1.00 10.58 N ATOM 260 CA VAL A 33 25.141 25.088 38.761 1.00 13.06 C ATOM 261 C VAL A 33 24.459 24.408 39.998 1.00 15.03 C ATOM 262 O VAL A 33 23.954 25.117 40.814 1.00 11.41 O ATOM 263 CB VAL A 33 24.121 24.822 37.549 1.00 12.45 C ATOM 264 CG1 VAL A 33 22.655 25.016 37.912 1.00 7.94 C ATOM 265 CG2 VAL A 33 24.607 25.654 36.290 1.00 8.06 C ATOM 0 H VAL A 33 26.610 24.239 37.781 1.00 10.58 H new ATOM 0 HA VAL A 33 25.283 26.039 38.886 1.00 13.06 H new ATOM 0 HB VAL A 33 24.145 23.880 37.320 1.00 12.45 H new ATOM 0 HG11 VAL A 33 22.103 24.839 37.135 1.00 7.94 H new ATOM 0 HG12 VAL A 33 22.414 24.404 38.625 1.00 7.94 H new ATOM 0 HG13 VAL A 33 22.513 25.929 38.208 1.00 7.94 H new ATOM 0 HG21 VAL A 33 24.000 25.503 35.548 1.00 8.06 H new ATOM 0 HG22 VAL A 33 24.619 26.598 36.511 1.00 8.06 H new ATOM 0 HG23 VAL A 33 25.500 25.370 36.039 1.00 8.06 H new ATOM 266 N LEU A 34 24.431 23.088 40.082 1.00 15.03 N ATOM 267 CA LEU A 34 23.706 22.221 41.111 1.00 11.88 C ATOM 268 C LEU A 34 24.450 22.433 42.438 1.00 9.83 C ATOM 269 O LEU A 34 23.786 22.244 43.486 1.00 12.17 O ATOM 270 CB LEU A 34 23.607 20.725 40.691 1.00 13.41 C ATOM 271 CG LEU A 34 22.283 20.155 39.989 1.00 12.47 C ATOM 272 CD1 LEU A 34 21.500 21.204 39.368 1.00 10.12 C ATOM 273 CD2 LEU A 34 22.418 18.918 39.102 1.00 10.04 C ATOM 0 H LEU A 34 24.857 22.605 39.512 1.00 15.03 H new ATOM 0 HA LEU A 34 22.777 22.486 41.193 1.00 11.88 H new ATOM 0 HB2 LEU A 34 24.347 20.548 40.089 1.00 13.41 H new ATOM 0 HB3 LEU A 34 23.757 20.194 41.489 1.00 13.41 H new ATOM 0 HG LEU A 34 21.789 19.798 40.744 1.00 12.47 H new ATOM 0 HD11 LEU A 34 20.711 20.818 38.956 1.00 10.12 H new ATOM 0 HD12 LEU A 34 21.231 21.849 40.041 1.00 10.12 H new ATOM 0 HD13 LEU A 34 22.033 21.648 38.690 1.00 10.12 H new ATOM 0 HD21 LEU A 34 21.549 18.681 38.743 1.00 10.04 H new ATOM 0 HD22 LEU A 34 23.028 19.108 38.372 1.00 10.04 H new ATOM 0 HD23 LEU A 34 22.763 18.179 39.627 1.00 10.04 H new ATOM 274 N GLU A 35 25.745 22.872 42.419 1.00 12.18 N ATOM 275 CA GLU A 35 26.449 23.237 43.674 1.00 13.67 C ATOM 276 C GLU A 35 26.092 24.527 44.286 1.00 13.17 C ATOM 277 O GLU A 35 26.044 24.628 45.540 1.00 16.33 O ATOM 278 CB GLU A 35 27.971 23.499 43.389 1.00 17.27 C ATOM 279 CG GLU A 35 28.497 22.161 43.013 1.00 41.13 C ATOM 280 CD GLU A 35 30.051 22.393 43.077 1.00 47.40 C ATOM 281 OE1 GLU A 35 30.630 21.363 43.031 1.00 41.20 O ATOM 282 OE2 GLU A 35 30.704 23.514 43.485 1.00 40.92 O ATOM 0 H GLU A 35 26.215 22.961 41.705 1.00 12.18 H new ATOM 0 HA GLU A 35 26.213 22.490 44.246 1.00 13.67 H new ATOM 0 HB2 GLU A 35 28.094 24.143 42.674 1.00 17.27 H new ATOM 0 HB3 GLU A 35 28.424 23.853 44.171 1.00 17.27 H new ATOM 0 HG2 GLU A 35 28.207 21.470 43.629 1.00 41.13 H new ATOM 0 HG3 GLU A 35 28.206 21.892 42.128 1.00 41.13 H new ATOM 283 N ILE A 36 25.832 25.463 43.447 1.00 11.55 N ATOM 284 CA ILE A 36 25.460 26.746 43.933 1.00 11.74 C ATOM 285 C ILE A 36 23.980 26.520 44.373 1.00 17.00 C ATOM 286 O ILE A 36 23.610 27.160 45.351 1.00 16.05 O ATOM 287 CB ILE A 36 25.743 27.856 42.824 1.00 14.65 C ATOM 288 CG1 ILE A 36 27.280 28.106 42.478 1.00 14.89 C ATOM 289 CG2 ILE A 36 25.261 29.228 43.194 1.00 10.50 C ATOM 290 CD1 ILE A 36 27.564 28.933 41.169 1.00 19.61 C ATOM 0 H ILE A 36 25.863 25.385 42.591 1.00 11.55 H new ATOM 0 HA ILE A 36 25.966 27.095 44.684 1.00 11.74 H new ATOM 0 HB ILE A 36 25.263 27.469 42.075 1.00 14.65 H new ATOM 0 HG12 ILE A 36 27.691 28.566 43.226 1.00 14.89 H new ATOM 0 HG13 ILE A 36 27.720 27.245 42.398 1.00 14.89 H new ATOM 0 HG21 ILE A 36 25.466 29.848 42.476 1.00 10.50 H new ATOM 0 HG22 ILE A 36 24.302 29.206 43.338 1.00 10.50 H new ATOM 0 HG23 ILE A 36 25.703 29.518 44.007 1.00 10.50 H new ATOM 0 HD11 ILE A 36 28.522 29.029 41.048 1.00 19.61 H new ATOM 0 HD12 ILE A 36 27.187 28.469 40.405 1.00 19.61 H new ATOM 0 HD13 ILE A 36 27.158 29.811 41.246 1.00 19.61 H new ATOM 291 N ALA A 37 23.110 25.772 43.560 1.00 10.10 N ATOM 292 CA ALA A 37 21.616 25.566 43.763 1.00 10.60 C ATOM 293 C ALA A 37 20.985 24.137 43.335 1.00 9.47 C ATOM 294 O ALA A 37 20.434 23.888 42.204 1.00 10.30 O ATOM 295 CB ALA A 37 20.860 26.674 43.062 1.00 6.04 C ATOM 0 H ALA A 37 23.396 25.365 42.859 1.00 10.10 H new ATOM 0 HA ALA A 37 21.512 25.583 44.727 1.00 10.60 H new ATOM 0 HB1 ALA A 37 19.907 26.546 43.189 1.00 6.04 H new ATOM 0 HB2 ALA A 37 21.123 27.531 43.433 1.00 6.04 H new ATOM 0 HB3 ALA A 37 21.065 26.656 42.114 1.00 6.04 H new ATOM 296 N PRO A 38 21.008 23.218 44.237 1.00 12.14 N ATOM 297 CA PRO A 38 20.480 21.791 43.959 1.00 11.35 C ATOM 298 C PRO A 38 19.028 21.537 43.489 1.00 12.36 C ATOM 299 O PRO A 38 18.670 20.635 42.655 1.00 16.57 O ATOM 300 CB PRO A 38 20.594 21.013 45.274 1.00 16.49 C ATOM 301 CG PRO A 38 21.299 22.005 46.286 1.00 11.08 C ATOM 302 CD PRO A 38 21.681 23.391 45.579 1.00 7.98 C ATOM 0 HA PRO A 38 21.022 21.531 43.198 1.00 11.35 H new ATOM 0 HB2 PRO A 38 19.720 20.744 45.599 1.00 16.49 H new ATOM 0 HB3 PRO A 38 21.115 20.203 45.158 1.00 16.49 H new ATOM 0 HG2 PRO A 38 20.710 22.175 47.037 1.00 11.08 H new ATOM 0 HG3 PRO A 38 22.100 21.590 46.642 1.00 11.08 H new ATOM 0 HD2 PRO A 38 21.340 24.158 46.065 1.00 7.98 H new ATOM 0 HD3 PRO A 38 22.640 23.510 45.497 1.00 7.98 H new ATOM 303 N ALA A 39 18.230 22.361 43.930 1.00 13.31 N ATOM 304 CA ALA A 39 16.807 22.237 43.511 1.00 16.05 C ATOM 305 C ALA A 39 16.637 22.413 41.997 1.00 20.19 C ATOM 306 O ALA A 39 15.506 22.067 41.430 1.00 17.70 O ATOM 307 CB ALA A 39 16.102 23.299 44.301 1.00 17.87 C ATOM 0 H ALA A 39 18.416 23.010 44.463 1.00 13.31 H new ATOM 0 HA ALA A 39 16.442 21.355 43.685 1.00 16.05 H new ATOM 0 HB1 ALA A 39 15.156 23.288 44.086 1.00 17.87 H new ATOM 0 HB2 ALA A 39 16.220 23.129 45.249 1.00 17.87 H new ATOM 0 HB3 ALA A 39 16.473 24.167 44.080 1.00 17.87 H new ATOM 308 N ALA A 40 17.704 23.078 41.382 1.00 15.24 N ATOM 309 CA ALA A 40 17.578 23.490 39.971 1.00 15.28 C ATOM 310 C ALA A 40 17.396 22.216 39.103 1.00 16.44 C ATOM 311 O ALA A 40 17.030 22.235 37.909 1.00 16.09 O ATOM 312 CB ALA A 40 18.887 24.463 39.512 1.00 17.24 C ATOM 0 H ALA A 40 18.450 23.275 41.761 1.00 15.24 H new ATOM 0 HA ALA A 40 16.795 24.046 39.837 1.00 15.28 H new ATOM 0 HB1 ALA A 40 18.787 24.723 38.583 1.00 17.24 H new ATOM 0 HB2 ALA A 40 18.911 25.257 40.069 1.00 17.24 H new ATOM 0 HB3 ALA A 40 19.713 23.967 39.621 1.00 17.24 H new ATOM 313 N LYS A 41 17.715 21.129 39.702 1.00 14.43 N ATOM 314 CA LYS A 41 17.687 19.899 38.901 1.00 18.90 C ATOM 315 C LYS A 41 16.327 19.473 38.222 1.00 24.14 C ATOM 316 O LYS A 41 16.266 19.050 37.029 1.00 24.17 O ATOM 317 CB LYS A 41 18.051 18.770 39.806 1.00 16.66 C ATOM 318 CG LYS A 41 17.890 17.389 39.138 1.00 29.63 C ATOM 319 CD LYS A 41 18.145 16.329 40.190 1.00 40.77 C ATOM 320 CE LYS A 41 18.056 14.867 39.632 1.00 38.24 C ATOM 321 NZ LYS A 41 16.686 14.366 39.140 0.00 0.00 N ATOM 0 H LYS A 41 17.944 21.048 40.527 1.00 14.43 H new ATOM 0 HA LYS A 41 18.294 20.090 38.169 1.00 18.90 H new ATOM 0 HB2 LYS A 41 18.970 18.878 40.097 1.00 16.66 H new ATOM 0 HB3 LYS A 41 17.496 18.807 40.601 1.00 16.66 H new ATOM 0 HG2 LYS A 41 16.998 17.293 38.768 1.00 29.63 H new ATOM 0 HG3 LYS A 41 18.514 17.293 38.402 1.00 29.63 H new ATOM 0 HD2 LYS A 41 19.025 16.469 40.574 1.00 40.77 H new ATOM 0 HD3 LYS A 41 17.502 16.434 40.908 1.00 40.77 H new ATOM 0 HE2 LYS A 41 18.683 14.791 38.896 1.00 38.24 H new ATOM 0 HE3 LYS A 41 18.361 14.264 40.328 1.00 38.24 H new ATOM 0 HZ1 LYS A 41 16.763 13.528 38.849 0.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.101 14.394 39.810 0.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.401 14.885 38.476 0.00 0.00 H new ATOM 322 N ASP A 42 15.287 19.672 38.944 1.00 21.33 N ATOM 323 CA ASP A 42 13.897 19.184 38.465 1.00 30.00 C ATOM 324 C ASP A 42 13.501 19.909 37.221 1.00 25.34 C ATOM 325 O ASP A 42 12.521 19.331 36.559 1.00 25.30 O ATOM 326 CB ASP A 42 12.829 19.300 39.577 1.00 34.61 C ATOM 327 CG ASP A 42 13.194 18.467 40.771 1.00 52.27 C ATOM 328 OD1 ASP A 42 13.975 19.100 41.634 1.00 47.30 O ATOM 329 OD2 ASP A 42 13.225 17.215 40.584 1.00 45.07 O ATOM 0 H ASP A 42 15.290 20.070 39.706 1.00 21.33 H new ATOM 0 HA ASP A 42 13.960 18.239 38.254 1.00 30.00 H new ATOM 0 HB2 ASP A 42 12.736 20.228 39.843 1.00 34.61 H new ATOM 0 HB3 ASP A 42 11.968 19.016 39.233 1.00 34.61 H new ATOM 330 N LEU A 43 14.224 21.094 36.917 1.00 12.91 N ATOM 331 CA LEU A 43 13.836 21.878 35.770 1.00 9.44 C ATOM 332 C LEU A 43 14.175 21.289 34.420 1.00 13.54 C ATOM 333 O LEU A 43 13.609 21.626 33.386 1.00 14.09 O ATOM 334 CB LEU A 43 14.539 23.360 35.837 1.00 14.99 C ATOM 335 CG LEU A 43 14.249 24.089 37.132 1.00 15.01 C ATOM 336 CD1 LEU A 43 15.107 25.498 37.205 1.00 15.51 C ATOM 337 CD2 LEU A 43 12.750 24.214 37.166 1.00 17.84 C ATOM 0 H LEU A 43 14.892 21.397 37.366 1.00 12.91 H new ATOM 0 HA LEU A 43 12.868 21.910 35.830 1.00 9.44 H new ATOM 0 HB2 LEU A 43 15.499 23.263 35.733 1.00 14.99 H new ATOM 0 HB3 LEU A 43 14.226 23.896 35.092 1.00 14.99 H new ATOM 0 HG LEU A 43 14.539 23.626 37.934 1.00 15.01 H new ATOM 0 HD11 LEU A 43 14.911 25.953 38.039 1.00 15.51 H new ATOM 0 HD12 LEU A 43 16.056 25.302 37.159 1.00 15.51 H new ATOM 0 HD13 LEU A 43 14.858 26.067 36.460 1.00 15.51 H new ATOM 0 HD21 LEU A 43 12.482 24.676 37.976 1.00 17.84 H new ATOM 0 HD22 LEU A 43 12.449 24.717 36.393 1.00 17.84 H new ATOM 0 HD23 LEU A 43 12.351 23.330 37.151 1.00 17.84 H new ATOM 338 N PHE A 44 15.141 20.513 34.413 1.00 14.99 N ATOM 339 CA PHE A 44 15.740 20.129 33.150 1.00 13.74 C ATOM 340 C PHE A 44 15.225 18.657 32.810 1.00 16.43 C ATOM 341 O PHE A 44 15.410 17.773 33.641 1.00 18.25 O ATOM 342 CB PHE A 44 17.297 20.274 33.271 1.00 14.38 C ATOM 343 CG PHE A 44 17.945 21.789 33.423 1.00 18.71 C ATOM 344 CD1 PHE A 44 18.197 22.342 34.679 1.00 12.62 C ATOM 345 CD2 PHE A 44 18.289 22.588 32.304 1.00 14.54 C ATOM 346 CE1 PHE A 44 18.789 23.706 34.825 1.00 15.88 C ATOM 347 CE2 PHE A 44 18.887 23.952 32.442 1.00 10.18 C ATOM 348 CZ PHE A 44 19.141 24.512 33.707 1.00 8.91 C ATOM 0 H PHE A 44 15.503 20.168 35.113 1.00 14.99 H new ATOM 0 HA PHE A 44 15.481 20.698 32.409 1.00 13.74 H new ATOM 0 HB2 PHE A 44 17.582 19.754 34.039 1.00 14.38 H new ATOM 0 HB3 PHE A 44 17.693 19.862 32.487 1.00 14.38 H new ATOM 0 HD1 PHE A 44 17.992 21.851 35.442 1.00 12.62 H new ATOM 0 HD2 PHE A 44 18.137 22.251 31.451 1.00 14.54 H new ATOM 0 HE1 PHE A 44 18.933 24.041 35.680 1.00 15.88 H new ATOM 0 HE2 PHE A 44 19.095 24.439 31.677 1.00 10.18 H new ATOM 0 HZ PHE A 44 19.516 25.357 33.806 1.00 8.91 H new ATOM 349 N SER A 45 14.562 18.439 31.691 1.00 22.78 N ATOM 350 CA SER A 45 13.853 17.111 31.201 1.00 18.44 C ATOM 351 C SER A 45 14.755 16.016 31.170 1.00 22.53 C ATOM 352 O SER A 45 14.329 14.866 31.622 1.00 25.24 O ATOM 353 CB SER A 45 13.281 17.325 29.795 1.00 31.48 C ATOM 354 OG SER A 45 14.295 17.776 28.788 1.00 35.13 O ATOM 0 H SER A 45 14.471 19.068 31.112 1.00 22.78 H new ATOM 0 HA SER A 45 13.144 16.905 31.830 1.00 18.44 H new ATOM 0 HB2 SER A 45 12.881 16.496 29.489 1.00 31.48 H new ATOM 0 HB3 SER A 45 12.570 17.983 29.842 1.00 31.48 H new ATOM 0 HG SER A 45 14.323 18.615 28.775 1.00 35.13 H new ATOM 355 N PHE A 46 16.019 16.382 30.769 1.00 15.97 N ATOM 356 CA PHE A 46 17.011 15.443 30.741 1.00 13.01 C ATOM 357 C PHE A 46 17.649 15.268 32.102 1.00 23.05 C ATOM 358 O PHE A 46 18.457 14.430 32.224 1.00 18.88 O ATOM 359 CB PHE A 46 18.129 15.854 29.661 1.00 9.95 C ATOM 360 CG PHE A 46 18.743 17.372 29.714 1.00 15.66 C ATOM 361 CD1 PHE A 46 18.289 18.293 28.856 1.00 18.83 C ATOM 362 CD2 PHE A 46 19.709 17.818 30.657 1.00 21.20 C ATOM 363 CE1 PHE A 46 18.801 19.659 28.941 1.00 18.88 C ATOM 364 CE2 PHE A 46 20.255 19.198 30.736 1.00 24.06 C ATOM 365 CZ PHE A 46 19.796 20.121 29.880 1.00 14.38 C ATOM 0 H PHE A 46 16.251 17.174 30.526 1.00 15.97 H new ATOM 0 HA PHE A 46 16.611 14.597 30.487 1.00 13.01 H new ATOM 0 HB2 PHE A 46 18.869 15.233 29.751 1.00 9.95 H new ATOM 0 HB3 PHE A 46 17.751 15.719 28.778 1.00 9.95 H new ATOM 0 HD1 PHE A 46 17.656 18.067 28.214 1.00 18.83 H new ATOM 0 HD2 PHE A 46 20.024 17.197 31.273 1.00 21.20 H new ATOM 0 HE1 PHE A 46 18.458 20.282 28.341 1.00 18.88 H new ATOM 0 HE2 PHE A 46 20.902 19.417 31.367 1.00 24.06 H new ATOM 0 HZ PHE A 46 20.098 21.001 29.890 1.00 14.38 H new ATOM 366 N LEU A 47 17.341 15.997 33.152 1.00 25.91 N ATOM 367 CA LEU A 47 17.911 15.697 34.498 1.00 20.64 C ATOM 368 C LEU A 47 16.795 15.007 35.423 1.00 26.77 C ATOM 369 O LEU A 47 17.095 14.340 36.414 1.00 23.80 O ATOM 370 CB LEU A 47 18.497 16.987 35.261 1.00 21.09 C ATOM 371 CG LEU A 47 19.691 17.825 34.533 1.00 24.99 C ATOM 372 CD1 LEU A 47 20.096 19.194 35.269 1.00 25.54 C ATOM 373 CD2 LEU A 47 20.872 17.011 34.401 1.00 21.35 C ATOM 0 H LEU A 47 16.808 16.672 33.131 1.00 25.91 H new ATOM 0 HA LEU A 47 18.657 15.097 34.343 1.00 20.64 H new ATOM 0 HB2 LEU A 47 17.761 17.597 35.423 1.00 21.09 H new ATOM 0 HB3 LEU A 47 18.822 16.698 36.128 1.00 21.09 H new ATOM 0 HG LEU A 47 19.329 18.067 33.666 1.00 24.99 H new ATOM 0 HD11 LEU A 47 20.809 19.629 34.775 1.00 25.54 H new ATOM 0 HD12 LEU A 47 19.325 19.781 35.307 1.00 25.54 H new ATOM 0 HD13 LEU A 47 20.399 19.000 36.170 1.00 25.54 H new ATOM 0 HD21 LEU A 47 21.572 17.524 33.967 1.00 21.35 H new ATOM 0 HD22 LEU A 47 21.174 16.733 35.280 1.00 21.35 H new ATOM 0 HD23 LEU A 47 20.667 16.227 33.867 1.00 21.35 H new ATOM 374 N LYS A 48 15.564 15.255 35.138 1.00 47.33 N ATOM 375 CA LYS A 48 14.362 14.648 35.912 1.00 52.51 C ATOM 376 C LYS A 48 14.282 13.108 35.898 1.00 50.30 C ATOM 377 O LYS A 48 14.171 12.474 34.810 1.00 47.99 O ATOM 378 CB LYS A 48 13.012 14.991 35.338 1.00 45.08 C ATOM 379 CG LYS A 48 12.876 16.496 35.334 0.00 0.00 C ATOM 380 CD LYS A 48 11.445 16.680 34.876 0.00 0.00 C ATOM 381 CE LYS A 48 11.081 16.042 33.496 0.00 0.00 C ATOM 382 NZ LYS A 48 9.703 16.228 33.118 0.00 0.00 N ATOM 0 H LYS A 48 15.329 15.777 34.496 1.00 47.33 H new ATOM 0 HA LYS A 48 14.534 15.024 36.790 1.00 52.51 H new ATOM 0 HB2 LYS A 48 12.927 14.640 34.438 1.00 45.08 H new ATOM 0 HB3 LYS A 48 12.306 14.588 35.867 1.00 45.08 H new ATOM 0 HG2 LYS A 48 13.028 16.877 36.213 0.00 0.00 H new ATOM 0 HG3 LYS A 48 13.508 16.916 34.730 0.00 0.00 H new ATOM 0 HD2 LYS A 48 10.857 16.306 35.551 0.00 0.00 H new ATOM 0 HD3 LYS A 48 11.258 17.631 34.833 0.00 0.00 H new ATOM 0 HE2 LYS A 48 11.651 16.425 32.811 0.00 0.00 H new ATOM 0 HE3 LYS A 48 11.274 15.092 33.527 0.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.557 15.845 32.328 0.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.174 15.856 33.730 0.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.525 17.098 33.063 0.00 0.00 H new ATOM 383 N GLY A 49 14.381 12.532 37.068 1.00 48.00 N ATOM 384 CA GLY A 49 14.147 11.058 37.146 1.00 49.68 C ATOM 385 C GLY A 49 15.442 10.475 37.300 1.00 50.71 C ATOM 386 O GLY A 49 15.390 9.364 37.909 1.00 50.59 O ATOM 0 H GLY A 49 14.571 12.926 37.809 1.00 48.00 H new ATOM 0 HA2 GLY A 49 13.572 10.835 37.895 1.00 49.68 H new ATOM 0 HA3 GLY A 49 13.709 10.731 36.345 1.00 49.68 H new ATOM 387 N THR A 50 16.562 11.241 36.865 1.00 41.59 N ATOM 388 CA THR A 50 17.870 10.783 37.050 1.00 43.70 C ATOM 389 C THR A 50 18.272 11.018 38.521 1.00 49.53 C ATOM 390 O THR A 50 17.779 11.916 39.151 1.00 47.97 O ATOM 391 CB THR A 50 18.964 11.589 36.128 1.00 44.35 C ATOM 392 OG1 THR A 50 19.301 12.911 36.637 1.00 35.00 O ATOM 393 CG2 THR A 50 18.517 11.837 34.702 1.00 30.69 C ATOM 0 H THR A 50 16.502 12.005 36.476 1.00 41.59 H new ATOM 0 HA THR A 50 17.878 9.846 36.799 1.00 43.70 H new ATOM 0 HB THR A 50 19.723 10.985 36.160 1.00 44.35 H new ATOM 0 HG1 THR A 50 18.606 13.382 36.677 1.00 35.00 H new ATOM 0 HG21 THR A 50 19.212 12.315 34.223 1.00 30.69 H new ATOM 0 HG22 THR A 50 18.348 10.988 34.264 1.00 30.69 H new ATOM 0 HG23 THR A 50 17.704 12.367 34.705 1.00 30.69 H new ATOM 394 N SER A 51 19.230 10.410 39.063 1.00 44.53 N ATOM 395 CA SER A 51 19.776 10.920 40.373 1.00 44.87 C ATOM 396 C SER A 51 21.127 11.841 40.229 1.00 47.58 C ATOM 397 O SER A 51 21.389 12.934 40.895 1.00 47.27 O ATOM 398 CB SER A 51 19.996 9.767 41.318 1.00 48.52 C ATOM 399 OG SER A 51 20.473 10.333 42.577 0.00 0.00 O ATOM 0 H SER A 51 19.615 9.709 38.747 1.00 44.53 H new ATOM 0 HA SER A 51 19.105 11.519 40.737 1.00 44.87 H new ATOM 0 HB2 SER A 51 19.173 9.273 41.454 1.00 48.52 H new ATOM 0 HB3 SER A 51 20.644 9.144 40.954 1.00 48.52 H new ATOM 0 HG SER A 51 20.605 9.715 43.130 0.00 0.00 H new ATOM 400 N GLU A 52 21.877 11.450 39.260 1.00 40.01 N ATOM 401 CA GLU A 52 23.143 12.271 38.850 1.00 43.95 C ATOM 402 C GLU A 52 23.018 12.903 37.469 1.00 38.88 C ATOM 403 O GLU A 52 22.304 12.238 36.593 1.00 37.70 O ATOM 404 CB GLU A 52 24.290 11.403 38.819 1.00 43.70 C ATOM 405 CG GLU A 52 24.659 10.845 40.180 0.00 0.00 C ATOM 406 CD GLU A 52 25.885 10.139 39.943 0.00 0.00 C ATOM 407 OE1 GLU A 52 26.653 10.494 38.969 0.00 0.00 O ATOM 408 OE2 GLU A 52 26.263 9.385 40.826 0.00 0.00 O ATOM 0 H GLU A 52 21.738 10.741 38.793 1.00 40.01 H new ATOM 0 HA GLU A 52 23.236 12.977 39.509 1.00 43.95 H new ATOM 0 HB2 GLU A 52 24.114 10.667 38.212 1.00 43.70 H new ATOM 0 HB3 GLU A 52 25.048 11.892 38.461 1.00 43.70 H new ATOM 0 HG2 GLU A 52 24.776 11.552 40.834 0.00 0.00 H new ATOM 0 HG3 GLU A 52 23.969 10.255 40.521 0.00 0.00 H new ATOM 409 N VAL A 53 23.858 14.035 37.246 1.00 19.52 N ATOM 410 CA VAL A 53 23.982 14.690 35.928 1.00 19.59 C ATOM 411 C VAL A 53 24.618 13.802 34.942 1.00 21.72 C ATOM 412 O VAL A 53 25.711 13.379 35.245 1.00 22.25 O ATOM 413 CB VAL A 53 24.860 16.097 36.081 1.00 23.43 C ATOM 414 CG1 VAL A 53 25.142 16.888 34.754 1.00 9.24 C ATOM 415 CG2 VAL A 53 24.195 16.933 37.118 1.00 16.92 C ATOM 0 H VAL A 53 24.336 14.398 37.862 1.00 19.52 H new ATOM 0 HA VAL A 53 23.090 14.896 35.608 1.00 19.59 H new ATOM 0 HB VAL A 53 25.757 15.848 36.353 1.00 23.43 H new ATOM 0 HG11 VAL A 53 25.657 17.685 34.955 1.00 9.24 H new ATOM 0 HG12 VAL A 53 25.643 16.326 34.142 1.00 9.24 H new ATOM 0 HG13 VAL A 53 24.301 17.142 34.343 1.00 9.24 H new ATOM 0 HG21 VAL A 53 24.686 17.762 37.229 1.00 16.92 H new ATOM 0 HG22 VAL A 53 23.287 17.130 36.841 1.00 16.92 H new ATOM 0 HG23 VAL A 53 24.179 16.452 37.960 1.00 16.92 H new ATOM 416 N PRO A 54 23.854 13.376 33.875 1.00 18.06 N ATOM 417 CA PRO A 54 24.328 12.538 32.822 1.00 11.99 C ATOM 418 C PRO A 54 25.645 13.235 32.182 1.00 20.33 C ATOM 419 O PRO A 54 25.921 14.519 32.087 1.00 18.82 O ATOM 420 CB PRO A 54 23.214 12.274 31.778 1.00 15.03 C ATOM 421 CG PRO A 54 22.209 13.228 32.094 1.00 17.73 C ATOM 422 CD PRO A 54 22.576 13.815 33.475 1.00 14.00 C ATOM 0 HA PRO A 54 24.575 11.664 33.163 1.00 11.99 H new ATOM 0 HB2 PRO A 54 23.542 12.391 30.873 1.00 15.03 H new ATOM 0 HB3 PRO A 54 22.875 11.367 31.842 1.00 15.03 H new ATOM 0 HG2 PRO A 54 22.173 13.926 31.421 1.00 17.73 H new ATOM 0 HG3 PRO A 54 21.333 12.811 32.118 1.00 17.73 H new ATOM 0 HD2 PRO A 54 22.559 14.784 33.435 1.00 14.00 H new ATOM 0 HD3 PRO A 54 21.915 13.546 34.132 1.00 14.00 H new ATOM 423 N GLN A 55 26.520 12.423 31.848 1.00 16.67 N ATOM 424 CA GLN A 55 27.804 13.009 31.252 1.00 15.61 C ATOM 425 C GLN A 55 27.851 12.981 29.724 1.00 17.85 C ATOM 426 O GLN A 55 28.632 13.836 29.056 1.00 21.35 O ATOM 427 CB GLN A 55 28.865 12.240 31.823 1.00 18.44 C ATOM 428 CG GLN A 55 28.695 12.120 33.340 1.00 33.03 C ATOM 429 CD GLN A 55 29.894 11.550 33.882 1.00 45.52 C ATOM 430 OE1 GLN A 55 31.064 11.864 33.350 1.00 47.80 O ATOM 431 NE2 GLN A 55 29.607 11.046 35.071 1.00 47.68 N ATOM 0 H GLN A 55 26.479 11.567 31.917 1.00 16.67 H new ATOM 0 HA GLN A 55 27.869 13.953 31.464 1.00 15.61 H new ATOM 0 HB2 GLN A 55 28.880 11.356 31.424 1.00 18.44 H new ATOM 0 HB3 GLN A 55 29.717 12.657 31.621 1.00 18.44 H new ATOM 0 HG2 GLN A 55 28.528 12.992 33.732 1.00 33.03 H new ATOM 0 HG3 GLN A 55 27.930 11.563 33.552 1.00 33.03 H new ATOM 0 HE21 GLN A 55 28.789 10.890 35.286 1.00 47.68 H new ATOM 0 HE22 GLN A 55 30.238 10.875 35.629 1.00 47.68 H new ATOM 432 N ASN A 56 27.024 12.044 29.150 1.00 13.71 N ATOM 433 CA ASN A 56 27.048 11.924 27.697 1.00 14.65 C ATOM 434 C ASN A 56 25.673 12.015 27.094 1.00 14.70 C ATOM 435 O ASN A 56 25.141 11.132 26.290 1.00 14.35 O ATOM 436 CB ASN A 56 27.525 10.567 27.272 1.00 8.71 C ATOM 437 CG ASN A 56 29.002 10.611 27.653 1.00 20.18 C ATOM 438 OD1 ASN A 56 29.298 10.110 28.753 1.00 21.28 O ATOM 439 ND2 ASN A 56 29.799 11.605 27.048 1.00 22.01 N ATOM 0 H ASN A 56 26.489 11.517 29.568 1.00 13.71 H new ATOM 0 HA ASN A 56 27.627 12.644 27.402 1.00 14.65 H new ATOM 0 HB2 ASN A 56 27.053 9.856 27.733 1.00 8.71 H new ATOM 0 HB3 ASN A 56 27.400 10.420 26.321 1.00 8.71 H new ATOM 0 HD21 ASN A 56 30.513 11.882 27.440 1.00 22.01 H new ATOM 0 HD22 ASN A 56 29.571 11.934 26.287 1.00 22.01 H new ATOM 440 N ASN A 57 25.084 13.036 27.499 1.00 7.52 N ATOM 441 CA ASN A 57 23.720 13.097 27.039 1.00 9.58 C ATOM 442 C ASN A 57 23.748 14.196 25.982 1.00 10.05 C ATOM 443 O ASN A 57 24.166 15.361 26.348 1.00 12.47 O ATOM 444 CB ASN A 57 22.820 13.375 28.266 1.00 8.99 C ATOM 445 CG ASN A 57 21.351 13.372 27.811 1.00 15.91 C ATOM 446 OD1 ASN A 57 21.007 14.376 27.247 1.00 17.30 O ATOM 447 ND2 ASN A 57 20.441 12.484 28.418 1.00 17.98 N ATOM 0 H ASN A 57 25.385 13.671 27.994 1.00 7.52 H new ATOM 0 HA ASN A 57 23.359 12.288 26.644 1.00 9.58 H new ATOM 0 HB2 ASN A 57 22.962 12.699 28.947 1.00 8.99 H new ATOM 0 HB3 ASN A 57 23.047 14.230 28.663 1.00 8.99 H new ATOM 0 HD21 ASN A 57 19.598 12.650 28.395 1.00 17.98 H new ATOM 0 HD22 ASN A 57 20.729 11.776 28.812 1.00 17.98 H new ATOM 448 N PRO A 58 23.312 13.894 24.756 1.00 14.76 N ATOM 449 CA PRO A 58 23.492 14.872 23.647 1.00 13.66 C ATOM 450 C PRO A 58 22.580 15.968 23.808 1.00 13.52 C ATOM 451 O PRO A 58 22.920 17.114 23.297 1.00 12.13 O ATOM 452 CB PRO A 58 23.133 14.049 22.349 1.00 14.40 C ATOM 453 CG PRO A 58 22.503 12.633 22.807 1.00 12.49 C ATOM 454 CD PRO A 58 22.725 12.533 24.305 1.00 17.21 C ATOM 0 HA PRO A 58 24.386 15.248 23.616 1.00 13.66 H new ATOM 0 HB2 PRO A 58 22.500 14.540 21.802 1.00 14.40 H new ATOM 0 HB3 PRO A 58 23.926 13.907 21.808 1.00 14.40 H new ATOM 0 HG2 PRO A 58 21.558 12.590 22.594 1.00 12.49 H new ATOM 0 HG3 PRO A 58 22.933 11.897 22.344 1.00 12.49 H new ATOM 0 HD2 PRO A 58 21.892 12.347 24.766 1.00 17.21 H new ATOM 0 HD3 PRO A 58 23.334 11.808 24.516 1.00 17.21 H new ATOM 455 N GLU A 59 21.475 15.665 24.584 1.00 14.12 N ATOM 456 CA GLU A 59 20.593 16.695 24.758 1.00 12.29 C ATOM 457 C GLU A 59 21.280 17.764 25.703 1.00 10.98 C ATOM 458 O GLU A 59 21.256 18.989 25.471 1.00 13.20 O ATOM 459 CB GLU A 59 19.239 16.124 25.402 1.00 11.50 C ATOM 460 CG GLU A 59 18.037 15.786 24.455 1.00 45.96 C ATOM 461 CD GLU A 59 16.763 15.813 25.313 1.00 56.17 C ATOM 462 OE1 GLU A 59 16.433 16.940 25.653 1.00 50.09 O ATOM 463 OE2 GLU A 59 16.324 14.795 26.018 1.00 49.67 O ATOM 0 H GLU A 59 21.290 14.914 24.959 1.00 14.12 H new ATOM 0 HA GLU A 59 20.365 17.116 23.914 1.00 12.29 H new ATOM 0 HB2 GLU A 59 19.464 15.317 25.891 1.00 11.50 H new ATOM 0 HB3 GLU A 59 18.927 16.772 26.053 1.00 11.50 H new ATOM 0 HG2 GLU A 59 17.978 16.431 23.733 1.00 45.96 H new ATOM 0 HG3 GLU A 59 18.157 14.914 24.047 1.00 45.96 H new ATOM 464 N LEU A 60 21.836 17.288 26.771 1.00 9.68 N ATOM 465 CA LEU A 60 22.543 18.275 27.687 1.00 7.41 C ATOM 466 C LEU A 60 23.752 19.125 27.008 1.00 12.91 C ATOM 467 O LEU A 60 23.979 20.386 27.194 1.00 11.38 O ATOM 468 CB LEU A 60 23.016 17.455 28.839 1.00 12.86 C ATOM 469 CG LEU A 60 23.824 18.261 30.006 1.00 12.29 C ATOM 470 CD1 LEU A 60 23.617 17.442 31.314 1.00 8.05 C ATOM 471 CD2 LEU A 60 25.356 18.630 29.736 1.00 9.24 C ATOM 0 H LEU A 60 21.845 16.463 27.015 1.00 9.68 H new ATOM 0 HA LEU A 60 21.925 18.977 27.944 1.00 7.41 H new ATOM 0 HB2 LEU A 60 22.247 17.022 29.242 1.00 12.86 H new ATOM 0 HB3 LEU A 60 23.591 16.752 28.498 1.00 12.86 H new ATOM 0 HG LEU A 60 23.450 19.155 30.056 1.00 12.29 H new ATOM 0 HD11 LEU A 60 24.080 17.879 32.046 1.00 8.05 H new ATOM 0 HD12 LEU A 60 22.670 17.389 31.516 1.00 8.05 H new ATOM 0 HD13 LEU A 60 23.973 16.547 31.196 1.00 8.05 H new ATOM 0 HD21 LEU A 60 25.715 19.104 30.503 1.00 9.24 H new ATOM 0 HD22 LEU A 60 25.864 17.817 29.592 1.00 9.24 H new ATOM 0 HD23 LEU A 60 25.419 19.194 28.949 1.00 9.24 H new ATOM 472 N GLN A 61 24.521 18.454 26.255 1.00 9.40 N ATOM 473 CA GLN A 61 25.739 19.116 25.579 1.00 5.29 C ATOM 474 C GLN A 61 25.418 20.164 24.581 1.00 9.85 C ATOM 475 O GLN A 61 26.125 21.315 24.577 1.00 8.65 O ATOM 476 CB GLN A 61 26.480 18.079 24.851 1.00 4.99 C ATOM 477 CG GLN A 61 27.214 17.293 25.901 1.00 3.00 C ATOM 478 CD GLN A 61 27.744 16.121 25.201 1.00 12.06 C ATOM 479 OE1 GLN A 61 27.582 16.053 23.932 1.00 15.50 O flip ATOM 480 NE2 GLN A 61 28.171 15.194 25.844 1.00 8.38 N flip ATOM 0 H GLN A 61 24.420 17.619 26.078 1.00 9.40 H new ATOM 0 HA GLN A 61 26.233 19.538 26.299 1.00 5.29 H new ATOM 0 HB2 GLN A 61 25.878 17.510 24.346 1.00 4.99 H new ATOM 0 HB3 GLN A 61 27.098 18.473 24.215 1.00 4.99 H new ATOM 0 HG2 GLN A 61 27.928 17.817 26.297 1.00 3.00 H new ATOM 0 HG3 GLN A 61 26.620 17.032 26.622 1.00 3.00 H new ATOM 0 HE21 GLN A 61 28.269 15.270 26.695 1.00 8.38 H new ATOM 0 HE22 GLN A 61 28.378 14.457 25.451 1.00 8.38 H new ATOM 481 N ALA A 62 24.340 19.797 23.827 1.00 10.83 N ATOM 482 CA ALA A 62 23.969 20.762 22.843 1.00 16.13 C ATOM 483 C ALA A 62 23.334 21.906 23.469 1.00 10.97 C ATOM 484 O ALA A 62 23.697 23.094 23.091 1.00 11.99 O ATOM 485 CB ALA A 62 22.969 20.043 21.836 1.00 16.00 C ATOM 0 H ALA A 62 23.878 19.073 23.880 1.00 10.83 H new ATOM 0 HA ALA A 62 24.750 21.091 22.370 1.00 16.13 H new ATOM 0 HB1 ALA A 62 22.694 20.671 21.150 1.00 16.00 H new ATOM 0 HB2 ALA A 62 23.414 19.287 21.422 1.00 16.00 H new ATOM 0 HB3 ALA A 62 22.189 19.732 22.321 1.00 16.00 H new ATOM 486 N HIS A 63 22.572 21.576 24.505 1.00 10.33 N ATOM 487 CA HIS A 63 22.032 22.631 25.249 1.00 10.08 C ATOM 488 C HIS A 63 23.161 23.684 25.861 1.00 18.38 C ATOM 489 O HIS A 63 23.229 24.918 25.560 1.00 16.90 O ATOM 490 CB HIS A 63 21.108 21.946 26.368 1.00 7.79 C ATOM 491 CG HIS A 63 20.680 23.024 27.329 1.00 16.52 C ATOM 492 ND1 HIS A 63 19.619 23.658 27.065 1.00 23.59 N ATOM 493 CD2 HIS A 63 21.220 23.548 28.457 1.00 21.80 C ATOM 494 CE1 HIS A 63 19.482 24.590 28.043 1.00 18.24 C ATOM 495 NE2 HIS A 63 20.493 24.521 28.927 1.00 16.18 N ATOM 0 H HIS A 63 22.377 20.779 24.764 1.00 10.33 H new ATOM 0 HA HIS A 63 21.509 23.215 24.678 1.00 10.08 H new ATOM 0 HB2 HIS A 63 20.334 21.526 25.961 1.00 7.79 H new ATOM 0 HB3 HIS A 63 21.597 21.249 26.833 1.00 7.79 H new ATOM 0 HD2 HIS A 63 22.010 23.250 28.846 1.00 21.80 H new ATOM 0 HE1 HIS A 63 18.780 25.198 28.095 1.00 18.24 H new ATOM 0 HE2 HIS A 63 20.626 25.000 29.628 1.00 16.18 H new ATOM 496 N ALA A 64 24.040 23.223 26.703 1.00 13.44 N ATOM 497 CA ALA A 64 25.148 24.120 27.384 1.00 9.87 C ATOM 498 C ALA A 64 26.186 24.857 26.399 1.00 13.64 C ATOM 499 O ALA A 64 26.636 26.077 26.577 1.00 14.77 O ATOM 500 CB ALA A 64 25.867 23.295 28.372 1.00 3.85 C ATOM 0 H ALA A 64 24.072 22.397 26.942 1.00 13.44 H new ATOM 0 HA ALA A 64 24.672 24.859 27.795 1.00 9.87 H new ATOM 0 HB1 ALA A 64 26.553 23.829 28.802 1.00 3.85 H new ATOM 0 HB2 ALA A 64 25.242 22.973 29.041 1.00 3.85 H new ATOM 0 HB3 ALA A 64 26.279 22.540 27.924 1.00 3.85 H new ATOM 501 N GLY A 65 26.446 24.204 25.298 1.00 16.74 N ATOM 502 CA GLY A 65 27.241 24.873 24.177 1.00 15.81 C ATOM 503 C GLY A 65 26.694 26.132 23.631 1.00 27.17 C ATOM 504 O GLY A 65 27.530 27.201 23.475 1.00 18.92 O ATOM 0 H GLY A 65 26.200 23.396 25.139 1.00 16.74 H new ATOM 0 HA2 GLY A 65 28.136 25.050 24.506 1.00 15.81 H new ATOM 0 HA3 GLY A 65 27.327 24.239 23.448 1.00 15.81 H new ATOM 505 N LYS A 66 25.341 26.050 23.429 1.00 16.76 N ATOM 506 CA LYS A 66 24.679 27.145 22.851 1.00 13.47 C ATOM 507 C LYS A 66 24.702 28.291 23.862 1.00 17.11 C ATOM 508 O LYS A 66 24.798 29.486 23.430 1.00 17.19 O ATOM 509 CB LYS A 66 23.167 26.693 22.559 1.00 14.33 C ATOM 510 CG LYS A 66 22.911 25.549 21.529 1.00 49.39 C ATOM 511 CD LYS A 66 21.401 24.864 21.538 1.00 52.13 C ATOM 512 CE LYS A 66 20.446 25.817 21.017 1.00 48.88 C ATOM 513 NZ LYS A 66 19.092 25.043 20.788 0.00 0.00 N ATOM 0 H LYS A 66 24.846 25.375 23.627 1.00 16.76 H new ATOM 0 HA LYS A 66 25.101 27.433 22.026 1.00 13.47 H new ATOM 0 HB2 LYS A 66 22.773 26.422 23.403 1.00 14.33 H new ATOM 0 HB3 LYS A 66 22.680 27.475 22.257 1.00 14.33 H new ATOM 0 HG2 LYS A 66 23.080 25.898 20.640 1.00 49.39 H new ATOM 0 HG3 LYS A 66 23.563 24.848 21.687 1.00 49.39 H new ATOM 0 HD2 LYS A 66 21.396 24.057 21.000 1.00 52.13 H new ATOM 0 HD3 LYS A 66 21.157 24.604 22.440 1.00 52.13 H new ATOM 0 HE2 LYS A 66 20.320 26.550 21.639 1.00 48.88 H new ATOM 0 HE3 LYS A 66 20.765 26.202 20.186 1.00 48.88 H new ATOM 0 HZ1 LYS A 66 18.480 25.604 20.466 0.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.223 24.382 20.207 0.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.808 24.706 21.561 0.00 0.00 H new ATOM 514 N VAL A 67 24.633 27.930 25.144 1.00 9.15 N ATOM 515 CA VAL A 67 24.740 28.977 26.220 1.00 15.15 C ATOM 516 C VAL A 67 26.102 29.908 26.242 1.00 13.14 C ATOM 517 O VAL A 67 26.190 31.173 26.168 1.00 10.29 O ATOM 518 CB VAL A 67 24.480 28.314 27.620 1.00 14.87 C ATOM 519 CG1 VAL A 67 24.724 29.412 28.733 1.00 13.57 C ATOM 520 CG2 VAL A 67 23.011 27.492 27.678 1.00 12.05 C ATOM 0 H VAL A 67 24.529 27.124 25.424 1.00 9.15 H new ATOM 0 HA VAL A 67 24.052 29.624 25.998 1.00 15.15 H new ATOM 0 HB VAL A 67 25.110 27.598 27.795 1.00 14.87 H new ATOM 0 HG11 VAL A 67 24.569 29.025 29.609 1.00 13.57 H new ATOM 0 HG12 VAL A 67 25.638 29.731 28.678 1.00 13.57 H new ATOM 0 HG13 VAL A 67 24.114 30.154 28.595 1.00 13.57 H new ATOM 0 HG21 VAL A 67 22.894 27.100 28.558 1.00 12.05 H new ATOM 0 HG22 VAL A 67 22.286 28.112 27.501 1.00 12.05 H new ATOM 0 HG23 VAL A 67 23.006 26.790 27.009 1.00 12.05 H new ATOM 521 N PHE A 68 27.158 29.296 26.206 1.00 11.71 N ATOM 522 CA PHE A 68 28.543 30.085 26.194 1.00 10.80 C ATOM 523 C PHE A 68 28.844 30.843 24.866 1.00 13.34 C ATOM 524 O PHE A 68 29.420 32.053 24.868 1.00 14.80 O ATOM 525 CB PHE A 68 29.575 29.110 26.364 1.00 7.99 C ATOM 526 CG PHE A 68 29.771 28.763 27.846 1.00 13.76 C ATOM 527 CD1 PHE A 68 30.852 29.464 28.535 1.00 9.33 C ATOM 528 CD2 PHE A 68 28.855 27.767 28.488 1.00 9.67 C ATOM 529 CE1 PHE A 68 31.048 29.173 29.880 1.00 13.07 C ATOM 530 CE2 PHE A 68 29.055 27.464 29.827 1.00 10.98 C ATOM 531 CZ PHE A 68 30.151 28.163 30.511 1.00 12.66 C ATOM 0 H PHE A 68 27.226 28.439 26.186 1.00 11.71 H new ATOM 0 HA PHE A 68 28.498 30.753 26.896 1.00 10.80 H new ATOM 0 HB2 PHE A 68 29.350 28.307 25.868 1.00 7.99 H new ATOM 0 HB3 PHE A 68 30.406 29.447 25.995 1.00 7.99 H new ATOM 0 HD1 PHE A 68 31.388 30.081 28.091 1.00 9.33 H new ATOM 0 HD2 PHE A 68 28.172 27.363 28.003 1.00 9.67 H new ATOM 0 HE1 PHE A 68 31.717 29.594 30.370 1.00 13.07 H new ATOM 0 HE2 PHE A 68 28.520 26.847 30.271 1.00 10.98 H new ATOM 0 HZ PHE A 68 30.297 27.960 31.407 1.00 12.66 H new ATOM 532 N LYS A 69 28.326 30.216 23.788 1.00 13.02 N ATOM 533 CA LYS A 69 28.478 30.885 22.486 1.00 5.94 C ATOM 534 C LYS A 69 27.854 32.185 22.468 1.00 6.11 C ATOM 535 O LYS A 69 28.448 33.182 21.838 1.00 12.13 O ATOM 536 CB LYS A 69 27.798 29.999 21.337 1.00 12.96 C ATOM 537 CG LYS A 69 28.402 30.589 20.002 1.00 21.00 C ATOM 538 CD LYS A 69 27.587 29.879 18.842 1.00 35.35 C ATOM 539 CE LYS A 69 26.129 30.216 18.875 1.00 47.52 C ATOM 540 NZ LYS A 69 25.420 29.777 17.628 0.00 0.00 N ATOM 0 H LYS A 69 27.914 29.461 23.787 1.00 13.02 H new ATOM 0 HA LYS A 69 29.430 30.990 22.332 1.00 5.94 H new ATOM 0 HB2 LYS A 69 28.011 29.058 21.439 1.00 12.96 H new ATOM 0 HB3 LYS A 69 26.831 30.074 21.354 1.00 12.96 H new ATOM 0 HG2 LYS A 69 28.300 31.553 19.965 1.00 21.00 H new ATOM 0 HG3 LYS A 69 29.351 30.401 19.932 1.00 21.00 H new ATOM 0 HD2 LYS A 69 27.957 30.141 17.984 1.00 35.35 H new ATOM 0 HD3 LYS A 69 27.695 28.918 18.916 1.00 35.35 H new ATOM 0 HE2 LYS A 69 25.718 29.793 19.645 1.00 47.52 H new ATOM 0 HE3 LYS A 69 26.022 31.174 18.986 1.00 47.52 H new ATOM 0 HZ1 LYS A 69 24.559 29.994 17.684 0.00 0.00 H new ATOM 0 HZ2 LYS A 69 25.782 30.181 16.923 0.00 0.00 H new ATOM 0 HZ3 LYS A 69 25.498 28.895 17.536 0.00 0.00 H new ATOM 541 N LEU A 70 26.690 32.162 23.073 1.00 10.54 N ATOM 542 CA LEU A 70 25.970 33.344 23.083 1.00 10.76 C ATOM 543 C LEU A 70 26.653 34.489 23.965 1.00 11.96 C ATOM 544 O LEU A 70 26.686 35.690 23.563 1.00 9.69 O ATOM 545 CB LEU A 70 24.493 33.028 23.563 1.00 11.08 C ATOM 546 CG LEU A 70 23.557 32.151 22.584 1.00 18.56 C ATOM 547 CD1 LEU A 70 22.159 31.747 23.256 1.00 27.46 C ATOM 548 CD2 LEU A 70 23.371 32.963 21.326 1.00 21.23 C ATOM 0 H LEU A 70 26.330 31.486 23.464 1.00 10.54 H new ATOM 0 HA LEU A 70 25.953 33.703 22.182 1.00 10.76 H new ATOM 0 HB2 LEU A 70 24.548 32.567 24.415 1.00 11.08 H new ATOM 0 HB3 LEU A 70 24.045 33.873 23.726 1.00 11.08 H new ATOM 0 HG LEU A 70 23.982 31.302 22.387 1.00 18.56 H new ATOM 0 HD11 LEU A 70 21.637 31.223 22.628 1.00 27.46 H new ATOM 0 HD12 LEU A 70 22.324 31.223 24.055 1.00 27.46 H new ATOM 0 HD13 LEU A 70 21.669 32.550 23.492 1.00 27.46 H new ATOM 0 HD21 LEU A 70 22.811 32.473 20.704 1.00 21.23 H new ATOM 0 HD22 LEU A 70 22.947 33.807 21.545 1.00 21.23 H new ATOM 0 HD23 LEU A 70 24.235 33.132 20.919 1.00 21.23 H new ATOM 549 N VAL A 71 27.257 34.105 25.048 1.00 6.98 N ATOM 550 CA VAL A 71 28.086 35.153 25.862 1.00 13.78 C ATOM 551 C VAL A 71 29.361 35.825 25.128 1.00 17.89 C ATOM 552 O VAL A 71 29.711 37.092 25.120 1.00 12.57 O ATOM 553 CB VAL A 71 28.363 34.690 27.317 1.00 11.76 C ATOM 554 CG1 VAL A 71 29.218 35.839 28.169 1.00 5.61 C ATOM 555 CG2 VAL A 71 27.006 34.249 28.049 1.00 4.01 C ATOM 0 H VAL A 71 27.244 33.307 25.369 1.00 6.98 H new ATOM 0 HA VAL A 71 27.485 35.913 25.912 1.00 13.78 H new ATOM 0 HB VAL A 71 28.928 33.902 27.284 1.00 11.76 H new ATOM 0 HG11 VAL A 71 29.375 35.522 29.072 1.00 5.61 H new ATOM 0 HG12 VAL A 71 30.068 36.001 27.731 1.00 5.61 H new ATOM 0 HG13 VAL A 71 28.709 36.664 28.201 1.00 5.61 H new ATOM 0 HG21 VAL A 71 27.204 33.964 28.955 1.00 4.01 H new ATOM 0 HG22 VAL A 71 26.393 35.000 28.074 1.00 4.01 H new ATOM 0 HG23 VAL A 71 26.599 33.515 27.562 1.00 4.01 H new ATOM 556 N TYR A 72 30.023 34.976 24.479 1.00 11.93 N ATOM 557 CA TYR A 72 31.226 35.453 23.658 1.00 8.70 C ATOM 558 C TYR A 72 30.851 36.358 22.536 1.00 11.27 C ATOM 559 O TYR A 72 31.594 37.458 22.295 1.00 16.46 O ATOM 560 CB TYR A 72 31.791 34.163 23.142 1.00 9.41 C ATOM 561 CG TYR A 72 32.597 34.376 21.829 1.00 11.69 C ATOM 562 CD1 TYR A 72 31.997 33.797 20.689 1.00 18.68 C ATOM 563 CD2 TYR A 72 33.832 35.216 21.765 1.00 15.46 C ATOM 564 CE1 TYR A 72 32.636 34.038 19.467 1.00 22.39 C ATOM 565 CE2 TYR A 72 34.502 35.466 20.548 1.00 11.66 C ATOM 566 CZ TYR A 72 33.890 34.858 19.406 1.00 20.34 C ATOM 567 OH TYR A 72 34.534 35.040 18.146 1.00 28.49 O ATOM 0 H TYR A 72 29.861 34.132 24.451 1.00 11.93 H new ATOM 0 HA TYR A 72 31.845 35.982 24.185 1.00 8.70 H new ATOM 0 HB2 TYR A 72 32.367 33.769 23.816 1.00 9.41 H new ATOM 0 HB3 TYR A 72 31.070 33.534 22.982 1.00 9.41 H new ATOM 0 HD1 TYR A 72 31.222 33.285 20.747 1.00 18.68 H new ATOM 0 HD2 TYR A 72 34.169 35.585 22.550 1.00 15.46 H new ATOM 0 HE1 TYR A 72 32.279 33.686 18.684 1.00 22.39 H new ATOM 0 HE2 TYR A 72 35.274 35.981 20.493 1.00 11.66 H new ATOM 0 HH TYR A 72 35.219 35.515 18.247 1.00 28.49 H new ATOM 568 N GLU A 73 29.728 35.921 21.830 1.00 13.42 N ATOM 569 CA GLU A 73 29.343 36.749 20.724 1.00 10.37 C ATOM 570 C GLU A 73 28.907 38.068 21.190 1.00 10.59 C ATOM 571 O GLU A 73 29.257 39.128 20.525 1.00 14.20 O ATOM 572 CB GLU A 73 28.195 35.961 19.931 1.00 4.40 C ATOM 573 CG GLU A 73 28.712 34.831 19.147 1.00 32.87 C ATOM 574 CD GLU A 73 27.536 34.083 18.312 1.00 42.29 C ATOM 575 OE1 GLU A 73 27.786 33.189 17.502 1.00 39.25 O ATOM 576 OE2 GLU A 73 26.323 34.115 18.648 1.00 37.89 O ATOM 0 H GLU A 73 29.253 35.221 21.987 1.00 13.42 H new ATOM 0 HA GLU A 73 30.090 36.918 20.129 1.00 10.37 H new ATOM 0 HB2 GLU A 73 27.537 35.635 20.564 1.00 4.40 H new ATOM 0 HB3 GLU A 73 27.737 36.577 19.338 1.00 4.40 H new ATOM 0 HG2 GLU A 73 29.392 35.149 18.533 1.00 32.87 H new ATOM 0 HG3 GLU A 73 29.141 34.195 19.741 1.00 32.87 H new ATOM 577 N ALA A 74 28.441 38.087 22.417 1.00 9.88 N ATOM 578 CA ALA A 74 28.144 39.345 23.017 1.00 10.87 C ATOM 579 C ALA A 74 29.419 40.358 23.278 1.00 12.00 C ATOM 580 O ALA A 74 29.410 41.593 23.093 1.00 9.32 O ATOM 581 CB ALA A 74 27.365 39.051 24.348 1.00 13.51 C ATOM 0 H ALA A 74 28.294 37.395 22.906 1.00 9.88 H new ATOM 0 HA ALA A 74 27.613 39.844 22.377 1.00 10.87 H new ATOM 0 HB1 ALA A 74 27.145 39.888 24.786 1.00 13.51 H new ATOM 0 HB2 ALA A 74 26.548 38.568 24.145 1.00 13.51 H new ATOM 0 HB3 ALA A 74 27.920 38.515 24.936 1.00 13.51 H new ATOM 582 N ALA A 75 30.451 39.850 23.746 1.00 12.55 N ATOM 583 CA ALA A 75 31.728 40.668 24.051 1.00 9.67 C ATOM 584 C ALA A 75 32.325 41.367 22.795 1.00 9.80 C ATOM 585 O ALA A 75 32.963 42.547 22.845 1.00 13.28 O ATOM 586 CB ALA A 75 32.736 39.789 24.583 1.00 6.33 C ATOM 0 H ALA A 75 30.523 39.013 23.931 1.00 12.55 H new ATOM 0 HA ALA A 75 31.470 41.357 24.684 1.00 9.67 H new ATOM 0 HB1 ALA A 75 33.539 40.297 24.776 1.00 6.33 H new ATOM 0 HB2 ALA A 75 32.410 39.378 25.399 1.00 6.33 H new ATOM 0 HB3 ALA A 75 32.939 39.098 23.933 1.00 6.33 H new ATOM 587 N ILE A 76 32.279 40.620 21.727 1.00 10.85 N ATOM 588 CA ILE A 76 32.897 41.197 20.451 1.00 13.02 C ATOM 589 C ILE A 76 32.033 42.218 19.908 1.00 18.38 C ATOM 590 O ILE A 76 32.568 43.384 19.517 1.00 13.97 O ATOM 591 CB ILE A 76 32.908 40.052 19.383 1.00 13.88 C ATOM 592 CG1 ILE A 76 33.724 38.919 19.836 1.00 14.18 C ATOM 593 CG2 ILE A 76 33.411 40.649 18.030 1.00 14.12 C ATOM 594 CD1 ILE A 76 35.108 39.518 20.405 1.00 14.05 C ATOM 0 H ILE A 76 31.935 39.834 21.668 1.00 10.85 H new ATOM 0 HA ILE A 76 33.778 41.552 20.650 1.00 13.02 H new ATOM 0 HB ILE A 76 32.013 39.701 19.255 1.00 13.88 H new ATOM 0 HG12 ILE A 76 33.260 38.418 20.525 1.00 14.18 H new ATOM 0 HG13 ILE A 76 33.893 38.305 19.104 1.00 14.18 H new ATOM 0 HG21 ILE A 76 33.425 39.953 17.354 1.00 14.12 H new ATOM 0 HG22 ILE A 76 32.815 41.361 17.749 1.00 14.12 H new ATOM 0 HG23 ILE A 76 34.306 41.004 18.146 1.00 14.12 H new ATOM 0 HD11 ILE A 76 35.672 38.792 20.714 1.00 14.05 H new ATOM 0 HD12 ILE A 76 35.564 40.004 19.701 1.00 14.05 H new ATOM 0 HD13 ILE A 76 34.922 40.119 21.144 1.00 14.05 H new ATOM 595 N GLN A 77 30.692 41.854 20.017 1.00 8.50 N ATOM 596 CA GLN A 77 29.854 42.844 19.543 1.00 7.38 C ATOM 597 C GLN A 77 30.032 44.106 20.418 1.00 7.82 C ATOM 598 O GLN A 77 30.106 45.261 19.915 1.00 14.12 O ATOM 599 CB GLN A 77 28.349 42.147 19.457 1.00 14.51 C ATOM 600 CG GLN A 77 27.419 43.038 18.772 1.00 17.87 C ATOM 601 CD GLN A 77 26.076 42.137 18.491 1.00 22.66 C ATOM 602 OE1 GLN A 77 25.386 41.691 19.541 1.00 25.09 O flip ATOM 603 NE2 GLN A 77 25.862 41.654 17.333 1.00 12.21 N flip ATOM 0 H GLN A 77 30.350 41.128 20.327 1.00 8.50 H new ATOM 0 HA GLN A 77 30.045 43.177 18.652 1.00 7.38 H new ATOM 0 HB2 GLN A 77 28.404 41.301 18.985 1.00 14.51 H new ATOM 0 HB3 GLN A 77 28.023 41.953 20.350 1.00 14.51 H new ATOM 0 HG2 GLN A 77 27.212 43.813 19.317 1.00 17.87 H new ATOM 0 HG3 GLN A 77 27.798 43.368 17.942 1.00 17.87 H new ATOM 0 HE21 GLN A 77 26.308 41.943 16.657 1.00 12.21 H new ATOM 0 HE22 GLN A 77 25.271 41.038 17.226 1.00 12.21 H new ATOM 604 N LEU A 78 30.295 43.990 21.704 1.00 12.18 N ATOM 605 CA LEU A 78 30.546 45.241 22.531 1.00 10.99 C ATOM 606 C LEU A 78 31.889 46.088 22.196 1.00 9.10 C ATOM 607 O LEU A 78 31.981 47.343 22.121 1.00 14.18 O ATOM 608 CB LEU A 78 30.674 44.917 24.028 1.00 9.19 C ATOM 609 CG LEU A 78 29.319 44.574 24.716 1.00 12.89 C ATOM 610 CD1 LEU A 78 29.513 43.778 25.983 1.00 17.63 C ATOM 611 CD2 LEU A 78 28.842 45.913 25.089 1.00 5.71 C ATOM 0 H LEU A 78 30.340 43.247 22.135 1.00 12.18 H new ATOM 0 HA LEU A 78 29.769 45.774 22.298 1.00 10.99 H new ATOM 0 HB2 LEU A 78 31.281 44.168 24.137 1.00 9.19 H new ATOM 0 HB3 LEU A 78 31.074 45.675 24.481 1.00 9.19 H new ATOM 0 HG LEU A 78 28.733 44.049 24.149 1.00 12.89 H new ATOM 0 HD11 LEU A 78 28.649 43.585 26.380 1.00 17.63 H new ATOM 0 HD12 LEU A 78 29.966 42.946 25.776 1.00 17.63 H new ATOM 0 HD13 LEU A 78 30.048 44.291 26.609 1.00 17.63 H new ATOM 0 HD21 LEU A 78 27.985 45.838 25.537 1.00 5.71 H new ATOM 0 HD22 LEU A 78 29.483 46.330 25.686 1.00 5.71 H new ATOM 0 HD23 LEU A 78 28.743 46.455 24.291 1.00 5.71 H new ATOM 612 N GLU A 79 32.847 45.422 21.852 1.00 9.81 N ATOM 613 CA GLU A 79 34.174 46.147 21.505 1.00 7.55 C ATOM 614 C GLU A 79 34.131 46.818 20.144 1.00 12.06 C ATOM 615 O GLU A 79 34.682 48.022 20.045 1.00 14.00 O ATOM 616 CB GLU A 79 35.184 45.138 21.426 1.00 13.51 C ATOM 617 CG GLU A 79 36.669 45.826 21.215 1.00 18.53 C ATOM 618 CD GLU A 79 37.102 45.617 19.775 1.00 32.61 C ATOM 619 OE1 GLU A 79 36.965 44.452 19.235 1.00 31.23 O ATOM 620 OE2 GLU A 79 37.522 46.668 19.099 1.00 31.41 O ATOM 0 H GLU A 79 32.859 44.565 21.781 1.00 9.81 H new ATOM 0 HA GLU A 79 34.338 46.824 22.180 1.00 7.55 H new ATOM 0 HB2 GLU A 79 35.180 44.604 22.236 1.00 13.51 H new ATOM 0 HB3 GLU A 79 34.992 44.537 20.689 1.00 13.51 H new ATOM 0 HG2 GLU A 79 36.633 46.773 21.421 1.00 18.53 H new ATOM 0 HG3 GLU A 79 37.313 45.428 21.821 1.00 18.53 H new ATOM 621 N VAL A 80 33.478 46.091 19.158 1.00 10.15 N ATOM 622 CA VAL A 80 33.347 46.683 17.794 1.00 16.15 C ATOM 623 C VAL A 80 32.423 47.773 17.742 1.00 21.63 C ATOM 624 O VAL A 80 32.762 48.858 17.121 1.00 19.25 O ATOM 625 CB VAL A 80 32.845 45.533 16.792 1.00 7.89 C ATOM 626 CG1 VAL A 80 32.625 46.086 15.383 1.00 9.29 C ATOM 627 CG2 VAL A 80 34.002 44.696 16.744 1.00 14.30 C ATOM 0 H VAL A 80 33.132 45.310 19.261 1.00 10.15 H new ATOM 0 HA VAL A 80 34.216 47.033 17.541 1.00 16.15 H new ATOM 0 HB VAL A 80 32.015 45.116 17.072 1.00 7.89 H new ATOM 0 HG11 VAL A 80 32.323 45.373 14.799 1.00 9.29 H new ATOM 0 HG12 VAL A 80 31.955 46.786 15.411 1.00 9.29 H new ATOM 0 HG13 VAL A 80 33.458 46.450 15.044 1.00 9.29 H new ATOM 0 HG21 VAL A 80 33.832 43.942 16.158 1.00 14.30 H new ATOM 0 HG22 VAL A 80 34.756 45.204 16.406 1.00 14.30 H new ATOM 0 HG23 VAL A 80 34.205 44.373 17.636 1.00 14.30 H new ATOM 628 N THR A 81 31.210 47.456 18.226 1.00 13.52 N ATOM 629 CA THR A 81 30.148 48.244 17.971 1.00 11.66 C ATOM 630 C THR A 81 29.946 49.136 19.176 1.00 14.49 C ATOM 631 O THR A 81 29.191 50.009 19.020 1.00 13.38 O ATOM 632 CB THR A 81 28.789 47.312 17.582 1.00 13.00 C ATOM 633 OG1 THR A 81 28.114 46.624 18.737 1.00 17.63 O ATOM 634 CG2 THR A 81 28.972 46.160 16.600 1.00 14.83 C ATOM 0 H THR A 81 31.042 46.763 18.707 1.00 13.52 H new ATOM 0 HA THR A 81 30.300 48.805 17.194 1.00 11.66 H new ATOM 0 HB THR A 81 28.271 48.036 17.196 1.00 13.00 H new ATOM 0 HG1 THR A 81 28.679 46.169 19.161 1.00 17.63 H new ATOM 0 HG21 THR A 81 28.123 45.711 16.465 1.00 14.83 H new ATOM 0 HG22 THR A 81 29.293 46.505 15.752 1.00 14.83 H new ATOM 0 HG23 THR A 81 29.617 45.530 16.957 1.00 14.83 H new ATOM 635 N GLY A 82 30.247 48.713 20.388 1.00 10.58 N ATOM 636 CA GLY A 82 29.896 49.451 21.591 1.00 9.65 C ATOM 637 C GLY A 82 28.583 48.876 22.312 1.00 13.24 C ATOM 638 O GLY A 82 28.199 49.411 23.360 1.00 15.26 O ATOM 0 H GLY A 82 30.667 47.978 20.541 1.00 10.58 H new ATOM 0 HA2 GLY A 82 30.640 49.421 22.212 1.00 9.65 H new ATOM 0 HA3 GLY A 82 29.753 50.383 21.364 1.00 9.65 H new ATOM 639 N VAL A 83 27.816 47.894 21.727 1.00 16.01 N ATOM 640 CA VAL A 83 26.511 47.285 22.316 1.00 14.14 C ATOM 641 C VAL A 83 26.337 45.731 22.267 1.00 13.23 C ATOM 642 O VAL A 83 26.912 45.126 21.373 1.00 15.45 O ATOM 643 CB VAL A 83 25.277 47.815 21.630 1.00 13.26 C ATOM 644 CG1 VAL A 83 25.384 49.361 21.722 1.00 8.93 C ATOM 645 CG2 VAL A 83 25.128 47.374 20.157 1.00 12.02 C ATOM 0 H VAL A 83 28.026 47.547 20.969 1.00 16.01 H new ATOM 0 HA VAL A 83 26.608 47.553 23.243 1.00 14.14 H new ATOM 0 HB VAL A 83 24.489 47.457 22.068 1.00 13.26 H new ATOM 0 HG11 VAL A 83 24.613 49.765 21.295 1.00 8.93 H new ATOM 0 HG12 VAL A 83 25.414 49.629 22.654 1.00 8.93 H new ATOM 0 HG13 VAL A 83 26.192 49.657 21.275 1.00 8.93 H new ATOM 0 HG21 VAL A 83 24.315 47.752 19.786 1.00 12.02 H new ATOM 0 HG22 VAL A 83 25.892 47.686 19.647 1.00 12.02 H new ATOM 0 HG23 VAL A 83 25.083 46.406 20.112 1.00 12.02 H new ATOM 646 N VAL A 84 25.291 45.125 22.915 1.00 15.85 N ATOM 647 CA VAL A 84 24.669 43.730 22.546 1.00 18.04 C ATOM 648 C VAL A 84 23.324 43.754 21.828 1.00 12.15 C ATOM 649 O VAL A 84 22.473 44.375 22.375 1.00 14.01 O ATOM 650 CB VAL A 84 24.388 42.849 23.796 1.00 14.12 C ATOM 651 CG1 VAL A 84 23.667 41.428 23.413 1.00 15.39 C ATOM 652 CG2 VAL A 84 25.713 42.729 24.546 1.00 13.59 C ATOM 0 H VAL A 84 24.901 45.491 23.588 1.00 15.85 H new ATOM 0 HA VAL A 84 25.358 43.382 21.959 1.00 18.04 H new ATOM 0 HB VAL A 84 23.733 43.257 24.384 1.00 14.12 H new ATOM 0 HG11 VAL A 84 23.512 40.915 24.222 1.00 15.39 H new ATOM 0 HG12 VAL A 84 22.820 41.603 22.974 1.00 15.39 H new ATOM 0 HG13 VAL A 84 24.242 40.924 22.816 1.00 15.39 H new ATOM 0 HG21 VAL A 84 25.588 42.185 25.339 1.00 13.59 H new ATOM 0 HG22 VAL A 84 26.374 42.314 23.970 1.00 13.59 H new ATOM 0 HG23 VAL A 84 26.019 43.612 24.805 1.00 13.59 H new ATOM 653 N VAL A 85 23.227 43.296 20.587 1.00 14.40 N ATOM 654 CA VAL A 85 22.031 43.325 19.704 1.00 16.99 C ATOM 655 C VAL A 85 20.834 42.221 20.029 1.00 15.75 C ATOM 656 O VAL A 85 20.991 41.002 20.042 1.00 15.40 O ATOM 657 CB VAL A 85 22.403 43.203 18.224 1.00 15.23 C ATOM 658 CG1 VAL A 85 21.157 43.149 17.297 1.00 24.26 C ATOM 659 CG2 VAL A 85 23.495 44.424 17.870 1.00 25.00 C ATOM 0 H VAL A 85 23.900 42.930 20.197 1.00 14.40 H new ATOM 0 HA VAL A 85 21.658 44.197 19.906 1.00 16.99 H new ATOM 0 HB VAL A 85 22.835 42.352 18.049 1.00 15.23 H new ATOM 0 HG11 VAL A 85 21.444 43.072 16.374 1.00 24.26 H new ATOM 0 HG12 VAL A 85 20.612 42.381 17.531 1.00 24.26 H new ATOM 0 HG13 VAL A 85 20.636 43.960 17.407 1.00 24.26 H new ATOM 0 HG21 VAL A 85 23.749 44.370 16.935 1.00 25.00 H new ATOM 0 HG22 VAL A 85 23.085 45.286 18.044 1.00 25.00 H new ATOM 0 HG23 VAL A 85 24.284 44.324 18.425 1.00 25.00 H new ATOM 660 N THR A 86 19.682 42.632 20.359 1.00 23.48 N ATOM 661 CA THR A 86 18.509 41.570 20.582 1.00 29.94 C ATOM 662 C THR A 86 17.869 41.041 19.267 1.00 26.61 C ATOM 663 O THR A 86 17.291 41.786 18.536 1.00 31.00 O ATOM 664 CB THR A 86 17.405 42.068 21.423 1.00 30.96 C ATOM 665 OG1 THR A 86 18.008 42.833 22.539 1.00 39.89 O ATOM 666 CG2 THR A 86 16.318 40.863 21.819 1.00 34.72 C ATOM 0 H THR A 86 19.465 43.456 20.478 1.00 23.48 H new ATOM 0 HA THR A 86 18.973 40.848 21.034 1.00 29.94 H new ATOM 0 HB THR A 86 16.830 42.686 20.945 1.00 30.96 H new ATOM 0 HG1 THR A 86 17.400 43.131 23.036 1.00 39.89 H new ATOM 0 HG21 THR A 86 15.611 41.233 22.371 1.00 34.72 H new ATOM 0 HG22 THR A 86 15.935 40.493 21.008 1.00 34.72 H new ATOM 0 HG23 THR A 86 16.776 40.162 22.309 1.00 34.72 H new ATOM 667 N ASP A 87 17.999 39.835 18.937 1.00 22.41 N ATOM 668 CA ASP A 87 17.350 39.249 17.742 1.00 16.95 C ATOM 669 C ASP A 87 16.189 38.077 18.045 1.00 28.65 C ATOM 670 O ASP A 87 15.727 37.868 19.218 1.00 23.13 O ATOM 671 CB ASP A 87 18.437 38.810 16.847 1.00 15.37 C ATOM 672 CG ASP A 87 18.919 37.566 17.455 1.00 38.36 C ATOM 673 OD1 ASP A 87 18.742 37.267 18.677 1.00 35.98 O ATOM 674 OD2 ASP A 87 19.821 37.078 16.833 1.00 39.74 O ATOM 0 H ASP A 87 18.473 39.273 19.384 1.00 22.41 H new ATOM 0 HA ASP A 87 16.805 39.927 17.312 1.00 16.95 H new ATOM 0 HB2 ASP A 87 18.115 38.662 15.944 1.00 15.37 H new ATOM 0 HB3 ASP A 87 19.142 39.474 16.792 1.00 15.37 H new ATOM 675 N ALA A 88 15.630 37.406 16.992 1.00 33.29 N ATOM 676 CA ALA A 88 14.481 36.309 17.168 1.00 34.98 C ATOM 677 C ALA A 88 14.827 35.209 18.120 1.00 34.15 C ATOM 678 O ALA A 88 13.979 34.702 18.959 1.00 33.94 O ATOM 679 CB ALA A 88 14.100 35.639 15.816 1.00 33.99 C ATOM 0 H ALA A 88 15.863 37.535 16.174 1.00 33.29 H new ATOM 0 HA ALA A 88 13.737 36.815 17.529 1.00 34.98 H new ATOM 0 HB1 ALA A 88 13.402 34.982 15.966 1.00 33.99 H new ATOM 0 HB2 ALA A 88 13.780 36.315 15.198 1.00 33.99 H new ATOM 0 HB3 ALA A 88 14.880 35.202 15.440 1.00 33.99 H new ATOM 680 N THR A 89 16.041 34.892 18.002 1.00 23.26 N ATOM 681 CA THR A 89 16.525 33.883 18.838 1.00 23.97 C ATOM 682 C THR A 89 16.500 34.223 20.311 1.00 21.16 C ATOM 683 O THR A 89 16.038 33.303 21.121 1.00 24.24 O ATOM 684 CB THR A 89 17.987 33.821 18.425 1.00 32.93 C ATOM 685 OG1 THR A 89 17.914 33.280 17.065 1.00 40.65 O ATOM 686 CG2 THR A 89 18.731 32.962 19.372 1.00 34.09 C ATOM 0 H THR A 89 16.605 35.239 17.453 1.00 23.26 H new ATOM 0 HA THR A 89 15.993 33.077 18.745 1.00 23.97 H new ATOM 0 HB THR A 89 18.460 34.668 18.440 1.00 32.93 H new ATOM 0 HG1 THR A 89 18.689 33.210 16.749 1.00 40.65 H new ATOM 0 HG21 THR A 89 19.664 32.922 19.109 1.00 34.09 H new ATOM 0 HG22 THR A 89 18.663 33.332 20.266 1.00 34.09 H new ATOM 0 HG23 THR A 89 18.354 32.068 19.363 1.00 34.09 H new ATOM 687 N LEU A 90 16.899 35.503 20.629 1.00 19.51 N ATOM 688 CA LEU A 90 16.951 35.843 22.060 1.00 22.76 C ATOM 689 C LEU A 90 15.536 35.894 22.584 1.00 25.14 C ATOM 690 O LEU A 90 15.252 35.498 23.757 1.00 22.48 O ATOM 691 CB LEU A 90 17.901 37.187 22.368 1.00 23.96 C ATOM 692 CG LEU A 90 19.394 37.111 22.010 1.00 26.43 C ATOM 693 CD1 LEU A 90 20.308 38.430 22.404 1.00 33.20 C ATOM 694 CD2 LEU A 90 19.923 35.918 22.693 1.00 32.77 C ATOM 0 H LEU A 90 17.120 36.123 20.075 1.00 19.51 H new ATOM 0 HA LEU A 90 17.412 35.154 22.563 1.00 22.76 H new ATOM 0 HB2 LEU A 90 17.518 37.938 21.888 1.00 23.96 H new ATOM 0 HB3 LEU A 90 17.832 37.390 23.314 1.00 23.96 H new ATOM 0 HG LEU A 90 19.455 37.072 21.043 1.00 26.43 H new ATOM 0 HD11 LEU A 90 21.228 38.278 22.136 1.00 33.20 H new ATOM 0 HD12 LEU A 90 19.963 39.212 21.945 1.00 33.20 H new ATOM 0 HD13 LEU A 90 20.270 38.575 23.362 1.00 33.20 H new ATOM 0 HD21 LEU A 90 20.868 35.825 22.497 1.00 32.77 H new ATOM 0 HD22 LEU A 90 19.799 36.012 23.651 1.00 32.77 H new ATOM 0 HD23 LEU A 90 19.450 35.130 22.382 1.00 32.77 H new ATOM 695 N LYS A 91 14.674 36.353 21.712 1.00 28.96 N ATOM 696 CA LYS A 91 13.238 36.375 22.083 1.00 30.83 C ATOM 697 C LYS A 91 12.519 34.929 22.374 1.00 32.11 C ATOM 698 O LYS A 91 11.757 34.621 23.367 1.00 30.14 O ATOM 699 CB LYS A 91 12.433 36.948 20.946 1.00 25.65 C ATOM 700 CG LYS A 91 13.026 38.385 20.478 1.00 33.61 C ATOM 701 CD LYS A 91 11.947 39.329 20.470 0.00 0.00 C ATOM 702 CE LYS A 91 12.526 40.751 19.953 0.00 0.00 C ATOM 703 NZ LYS A 91 12.946 40.669 18.550 0.00 0.00 N ATOM 0 H LYS A 91 14.865 36.649 20.928 1.00 28.96 H new ATOM 0 HA LYS A 91 13.242 36.888 22.906 1.00 30.83 H new ATOM 0 HB2 LYS A 91 12.441 36.332 20.197 1.00 25.65 H new ATOM 0 HB3 LYS A 91 11.508 37.050 21.220 1.00 25.65 H new ATOM 0 HG2 LYS A 91 13.726 38.676 21.083 1.00 33.61 H new ATOM 0 HG3 LYS A 91 13.423 38.317 19.596 1.00 33.61 H new ATOM 0 HD2 LYS A 91 11.233 39.023 19.889 0.00 0.00 H new ATOM 0 HD3 LYS A 91 11.570 39.420 21.359 0.00 0.00 H new ATOM 0 HE2 LYS A 91 11.846 41.436 20.051 0.00 0.00 H new ATOM 0 HE3 LYS A 91 13.278 41.017 20.504 0.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.260 41.459 18.287 0.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.584 40.054 18.466 0.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.249 40.444 18.044 0.00 0.00 H new ATOM 704 N ASN A 92 12.797 34.033 21.518 1.00 17.96 N ATOM 705 CA ASN A 92 12.254 32.624 21.711 1.00 15.68 C ATOM 706 C ASN A 92 12.859 32.031 22.927 1.00 15.75 C ATOM 707 O ASN A 92 12.093 31.220 23.652 1.00 23.50 O ATOM 708 CB ASN A 92 12.626 31.852 20.512 1.00 18.81 C ATOM 709 CG ASN A 92 11.987 30.380 20.746 1.00 39.89 C ATOM 710 OD1 ASN A 92 10.711 30.105 20.794 1.00 47.17 O ATOM 711 ND2 ASN A 92 12.811 29.590 21.255 1.00 46.02 N ATOM 0 H ASN A 92 13.279 34.151 20.816 1.00 17.96 H new ATOM 0 HA ASN A 92 11.291 32.622 21.824 1.00 15.68 H new ATOM 0 HB2 ASN A 92 12.275 32.263 19.707 1.00 18.81 H new ATOM 0 HB3 ASN A 92 13.589 31.805 20.410 1.00 18.81 H new ATOM 0 HD21 ASN A 92 12.537 28.869 21.635 1.00 46.02 H new ATOM 0 HD22 ASN A 92 13.652 29.768 21.225 1.00 46.02 H new ATOM 712 N LEU A 93 14.139 32.512 23.209 1.00 17.00 N ATOM 713 CA LEU A 93 14.766 32.057 24.431 1.00 15.57 C ATOM 714 C LEU A 93 14.085 32.494 25.668 1.00 17.81 C ATOM 715 O LEU A 93 13.948 31.728 26.659 1.00 20.79 O ATOM 716 CB LEU A 93 16.262 32.673 24.610 1.00 18.73 C ATOM 717 CG LEU A 93 17.168 31.761 23.990 1.00 29.01 C ATOM 718 CD1 LEU A 93 18.643 32.307 24.359 1.00 36.30 C ATOM 719 CD2 LEU A 93 16.730 30.311 24.495 1.00 29.39 C ATOM 0 H LEU A 93 14.595 33.056 22.724 1.00 17.00 H new ATOM 0 HA LEU A 93 14.742 31.092 24.331 1.00 15.57 H new ATOM 0 HB2 LEU A 93 16.323 33.550 24.199 1.00 18.73 H new ATOM 0 HB3 LEU A 93 16.477 32.784 25.549 1.00 18.73 H new ATOM 0 HG LEU A 93 17.164 31.693 23.022 1.00 29.01 H new ATOM 0 HD11 LEU A 93 19.312 31.726 23.964 1.00 36.30 H new ATOM 0 HD12 LEU A 93 18.751 33.206 24.012 1.00 36.30 H new ATOM 0 HD13 LEU A 93 18.753 32.317 25.323 1.00 36.30 H new ATOM 0 HD21 LEU A 93 17.314 29.642 24.104 1.00 29.39 H new ATOM 0 HD22 LEU A 93 16.795 30.272 25.462 1.00 29.39 H new ATOM 0 HD23 LEU A 93 15.814 30.137 24.226 1.00 29.39 H new ATOM 720 N GLY A 94 13.656 33.665 25.622 1.00 21.98 N ATOM 721 CA GLY A 94 12.938 34.149 26.769 1.00 15.86 C ATOM 722 C GLY A 94 11.600 33.225 27.046 1.00 20.56 C ATOM 723 O GLY A 94 11.224 32.900 28.210 1.00 21.95 O ATOM 0 H GLY A 94 13.748 34.215 24.967 1.00 21.98 H new ATOM 0 HA2 GLY A 94 13.515 34.134 27.549 1.00 15.86 H new ATOM 0 HA3 GLY A 94 12.676 35.072 26.628 1.00 15.86 H new ATOM 724 N SER A 95 10.929 32.742 25.994 1.00 25.48 N ATOM 725 CA SER A 95 9.642 31.823 26.131 1.00 21.97 C ATOM 726 C SER A 95 9.865 30.445 26.670 1.00 22.31 C ATOM 727 O SER A 95 9.103 29.896 27.569 1.00 24.45 O ATOM 728 CB SER A 95 8.992 31.685 24.719 1.00 26.73 C ATOM 729 OG SER A 95 7.882 30.598 24.725 1.00 43.98 O ATOM 0 H SER A 95 11.155 32.900 25.179 1.00 25.48 H new ATOM 0 HA SER A 95 9.080 32.268 26.784 1.00 21.97 H new ATOM 0 HB2 SER A 95 8.615 32.536 24.448 1.00 26.73 H new ATOM 0 HB3 SER A 95 9.672 31.455 24.067 1.00 26.73 H new ATOM 0 HG SER A 95 7.543 30.539 23.959 1.00 43.98 H new ATOM 730 N VAL A 96 10.871 29.894 26.155 1.00 17.54 N ATOM 731 CA VAL A 96 11.114 28.575 26.641 1.00 11.77 C ATOM 732 C VAL A 96 11.486 28.609 28.119 1.00 22.36 C ATOM 733 O VAL A 96 11.027 27.627 28.865 1.00 19.21 O ATOM 734 CB VAL A 96 12.073 27.886 25.749 1.00 12.74 C ATOM 735 CG1 VAL A 96 13.161 28.856 25.085 1.00 34.96 C ATOM 736 CG2 VAL A 96 12.737 26.816 26.524 1.00 31.28 C ATOM 0 H VAL A 96 11.407 30.215 25.564 1.00 17.54 H new ATOM 0 HA VAL A 96 10.307 28.037 26.612 1.00 11.77 H new ATOM 0 HB VAL A 96 11.570 27.522 25.003 1.00 12.74 H new ATOM 0 HG11 VAL A 96 13.752 28.338 24.517 1.00 34.96 H new ATOM 0 HG12 VAL A 96 12.711 29.531 24.553 1.00 34.96 H new ATOM 0 HG13 VAL A 96 13.679 29.287 25.783 1.00 34.96 H new ATOM 0 HG21 VAL A 96 13.371 26.351 25.956 1.00 31.28 H new ATOM 0 HG22 VAL A 96 13.205 27.206 27.279 1.00 31.28 H new ATOM 0 HG23 VAL A 96 12.071 26.188 26.846 1.00 31.28 H new ATOM 737 N HIS A 97 12.218 29.740 28.562 1.00 14.26 N ATOM 738 CA HIS A 97 12.606 29.771 29.979 1.00 14.25 C ATOM 739 C HIS A 97 11.406 29.890 30.871 1.00 14.73 C ATOM 740 O HIS A 97 11.270 29.200 31.916 1.00 20.10 O ATOM 741 CB HIS A 97 13.758 30.968 30.292 1.00 13.46 C ATOM 742 CG HIS A 97 15.121 30.650 29.744 1.00 18.07 C ATOM 743 ND1 HIS A 97 15.633 31.094 28.513 1.00 22.43 N ATOM 744 CD2 HIS A 97 15.930 29.837 30.226 1.00 18.15 C ATOM 745 CE1 HIS A 97 16.776 30.551 28.239 1.00 21.00 C ATOM 746 NE2 HIS A 97 16.987 29.766 29.315 1.00 13.38 N ATOM 0 H HIS A 97 12.458 30.412 28.082 1.00 14.26 H new ATOM 0 HA HIS A 97 13.030 28.923 30.183 1.00 14.25 H new ATOM 0 HB2 HIS A 97 13.453 31.807 29.913 1.00 13.46 H new ATOM 0 HB3 HIS A 97 13.826 31.098 31.251 1.00 13.46 H new ATOM 0 HD1 HIS A 97 15.234 31.659 28.002 1.00 22.43 H new ATOM 0 HD2 HIS A 97 15.848 29.372 31.027 1.00 18.15 H new ATOM 0 HE1 HIS A 97 17.315 30.672 27.490 1.00 21.00 H new ATOM 747 N VAL A 98 10.550 30.685 30.443 1.00 16.19 N ATOM 748 CA VAL A 98 9.352 30.780 31.258 1.00 11.23 C ATOM 749 C VAL A 98 8.486 29.382 31.375 1.00 15.50 C ATOM 750 O VAL A 98 8.101 28.912 32.508 1.00 17.61 O ATOM 751 CB VAL A 98 8.562 31.797 30.590 1.00 10.79 C ATOM 752 CG1 VAL A 98 7.249 31.836 31.346 1.00 29.04 C ATOM 753 CG2 VAL A 98 9.339 33.214 30.702 1.00 17.96 C ATOM 0 H VAL A 98 10.593 31.171 29.735 1.00 16.19 H new ATOM 0 HA VAL A 98 9.588 30.985 32.176 1.00 11.23 H new ATOM 0 HB VAL A 98 8.417 31.614 29.648 1.00 10.79 H new ATOM 0 HG11 VAL A 98 6.666 32.502 30.949 1.00 29.04 H new ATOM 0 HG12 VAL A 98 6.823 30.966 31.300 1.00 29.04 H new ATOM 0 HG13 VAL A 98 7.416 32.065 32.274 1.00 29.04 H new ATOM 0 HG21 VAL A 98 8.821 33.904 30.259 1.00 17.96 H new ATOM 0 HG22 VAL A 98 9.454 33.447 31.636 1.00 17.96 H new ATOM 0 HG23 VAL A 98 10.208 33.141 30.278 1.00 17.96 H new ATOM 754 N SER A 99 8.338 28.678 30.238 1.00 20.57 N ATOM 755 CA SER A 99 7.602 27.272 30.186 1.00 23.39 C ATOM 756 C SER A 99 8.159 26.314 31.113 1.00 27.06 C ATOM 757 O SER A 99 7.352 25.365 31.589 1.00 29.55 O ATOM 758 CB SER A 99 7.585 26.607 28.796 1.00 19.91 C ATOM 759 OG SER A 99 6.931 27.449 27.938 1.00 47.02 O ATOM 0 H SER A 99 8.631 28.945 29.475 1.00 20.57 H new ATOM 0 HA SER A 99 6.692 27.499 30.433 1.00 23.39 H new ATOM 0 HB2 SER A 99 8.490 26.442 28.487 1.00 19.91 H new ATOM 0 HB3 SER A 99 7.138 25.747 28.836 1.00 19.91 H new ATOM 0 HG SER A 99 6.910 27.107 27.171 1.00 47.02 H new ATOM 760 N LYS A 100 9.461 26.478 31.282 1.00 21.91 N ATOM 761 CA LYS A 100 10.082 25.519 32.094 1.00 18.28 C ATOM 762 C LYS A 100 10.137 25.912 33.566 1.00 14.20 C ATOM 763 O LYS A 100 10.625 25.194 34.381 1.00 24.38 O ATOM 764 CB LYS A 100 11.531 25.463 31.584 1.00 21.11 C ATOM 765 CG LYS A 100 11.542 24.874 30.164 1.00 27.81 C ATOM 766 CD LYS A 100 10.916 23.373 30.152 1.00 36.12 C ATOM 767 CE LYS A 100 10.965 22.678 28.778 1.00 36.52 C ATOM 768 NZ LYS A 100 10.425 21.228 28.884 0.00 0.00 N ATOM 0 H LYS A 100 9.955 27.099 30.952 1.00 21.91 H new ATOM 0 HA LYS A 100 9.589 24.685 32.044 1.00 18.28 H new ATOM 0 HB2 LYS A 100 11.919 26.352 31.581 1.00 21.11 H new ATOM 0 HB3 LYS A 100 12.073 24.919 32.176 1.00 21.11 H new ATOM 0 HG2 LYS A 100 11.032 25.446 29.569 1.00 27.81 H new ATOM 0 HG3 LYS A 100 12.451 24.852 29.826 1.00 27.81 H new ATOM 0 HD2 LYS A 100 11.396 22.828 30.796 1.00 36.12 H new ATOM 0 HD3 LYS A 100 9.993 23.416 30.448 1.00 36.12 H new ATOM 0 HE2 LYS A 100 10.438 23.179 28.137 1.00 36.52 H new ATOM 0 HE3 LYS A 100 11.877 22.666 28.448 1.00 36.52 H new ATOM 0 HZ1 LYS A 100 10.459 20.839 28.084 0.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.923 20.767 29.459 0.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.582 21.245 29.169 0.00 0.00 H new ATOM 769 N GLY A 101 9.628 26.979 33.914 1.00 17.07 N ATOM 770 CA GLY A 101 9.619 27.345 35.314 1.00 13.91 C ATOM 771 C GLY A 101 10.958 28.124 35.832 1.00 23.09 C ATOM 772 O GLY A 101 11.250 28.103 37.051 1.00 19.32 O ATOM 0 H GLY A 101 9.264 27.548 33.382 1.00 17.07 H new ATOM 0 HA2 GLY A 101 8.848 27.909 35.482 1.00 13.91 H new ATOM 0 HA3 GLY A 101 9.504 26.541 35.844 1.00 13.91 H new ATOM 773 N VAL A 102 11.728 28.859 34.949 1.00 17.12 N ATOM 774 CA VAL A 102 13.034 29.669 35.306 1.00 9.61 C ATOM 775 C VAL A 102 12.799 31.056 35.747 1.00 11.90 C ATOM 776 O VAL A 102 11.921 31.584 35.146 1.00 19.74 O ATOM 777 CB VAL A 102 13.943 29.758 34.056 1.00 13.47 C ATOM 778 CG1 VAL A 102 15.295 30.738 34.209 1.00 13.02 C ATOM 779 CG2 VAL A 102 14.183 28.330 33.646 1.00 12.64 C ATOM 0 H VAL A 102 11.526 28.917 34.115 1.00 17.12 H new ATOM 0 HA VAL A 102 13.435 29.183 36.043 1.00 9.61 H new ATOM 0 HB VAL A 102 13.508 30.242 33.337 1.00 13.47 H new ATOM 0 HG11 VAL A 102 15.797 30.729 33.379 1.00 13.02 H new ATOM 0 HG12 VAL A 102 15.016 31.646 34.407 1.00 13.02 H new ATOM 0 HG13 VAL A 102 15.855 30.407 34.929 1.00 13.02 H new ATOM 0 HG21 VAL A 102 14.751 28.310 32.860 1.00 12.64 H new ATOM 0 HG22 VAL A 102 14.617 27.854 34.371 1.00 12.64 H new ATOM 0 HG23 VAL A 102 13.335 27.905 33.442 1.00 12.64 H new ATOM 780 N ALA A 103 13.451 31.612 36.782 1.00 9.90 N ATOM 781 CA ALA A 103 13.234 32.964 37.200 1.00 6.82 C ATOM 782 C ALA A 103 14.583 33.891 37.260 1.00 10.05 C ATOM 783 O ALA A 103 15.653 33.411 37.094 1.00 12.26 O ATOM 784 CB ALA A 103 12.675 32.895 38.632 1.00 9.22 C ATOM 0 H ALA A 103 14.035 31.192 37.253 1.00 9.90 H new ATOM 0 HA ALA A 103 12.643 33.373 36.548 1.00 6.82 H new ATOM 0 HB1 ALA A 103 12.511 33.793 38.959 1.00 9.22 H new ATOM 0 HB2 ALA A 103 11.844 32.395 38.631 1.00 9.22 H new ATOM 0 HB3 ALA A 103 13.317 32.453 39.209 1.00 9.22 H new ATOM 785 N ASP A 104 14.535 35.175 37.449 1.00 11.67 N ATOM 786 CA ASP A 104 15.769 36.160 37.474 1.00 12.26 C ATOM 787 C ASP A 104 16.798 35.829 38.497 1.00 13.29 C ATOM 788 O ASP A 104 18.028 36.297 38.334 1.00 16.10 O ATOM 789 CB ASP A 104 15.422 37.536 37.909 1.00 16.44 C ATOM 790 CG ASP A 104 14.700 38.108 36.761 1.00 38.48 C ATOM 791 OD1 ASP A 104 14.523 39.318 36.758 1.00 43.23 O ATOM 792 OD2 ASP A 104 14.489 37.444 35.711 1.00 40.82 O ATOM 0 H ASP A 104 13.790 35.584 37.578 1.00 11.67 H new ATOM 0 HA ASP A 104 16.077 36.083 36.557 1.00 12.26 H new ATOM 0 HB2 ASP A 104 14.869 37.527 38.706 1.00 16.44 H new ATOM 0 HB3 ASP A 104 16.216 38.051 38.121 1.00 16.44 H new ATOM 793 N ALA A 105 16.318 35.282 39.622 1.00 8.36 N ATOM 794 CA ALA A 105 17.250 34.983 40.727 1.00 7.95 C ATOM 795 C ALA A 105 17.950 33.761 40.410 1.00 9.86 C ATOM 796 O ALA A 105 18.978 33.568 41.049 1.00 13.27 O ATOM 797 CB ALA A 105 16.451 34.706 42.052 1.00 4.90 C ATOM 0 H ALA A 105 15.494 35.083 39.766 1.00 8.36 H new ATOM 0 HA ALA A 105 17.851 35.736 40.842 1.00 7.95 H new ATOM 0 HB1 ALA A 105 17.073 34.511 42.770 1.00 4.90 H new ATOM 0 HB2 ALA A 105 15.926 35.488 42.283 1.00 4.90 H new ATOM 0 HB3 ALA A 105 15.860 33.948 41.921 1.00 4.90 H new ATOM 798 N HIS A 106 17.641 33.104 39.287 1.00 12.56 N ATOM 799 CA HIS A 106 18.407 32.014 38.845 1.00 12.77 C ATOM 800 C HIS A 106 19.715 32.579 38.131 1.00 15.86 C ATOM 801 O HIS A 106 20.654 31.875 38.038 1.00 16.23 O ATOM 802 CB HIS A 106 17.605 30.973 37.835 1.00 12.07 C ATOM 803 CG HIS A 106 16.501 29.939 38.506 1.00 9.18 C ATOM 804 ND1 HIS A 106 15.117 29.971 38.289 1.00 10.52 N ATOM 805 CD2 HIS A 106 16.621 28.902 39.333 1.00 13.27 C ATOM 806 CE1 HIS A 106 14.360 28.885 39.019 1.00 13.28 C ATOM 807 NE2 HIS A 106 15.316 28.209 39.656 1.00 12.69 N ATOM 0 H HIS A 106 16.975 33.301 38.781 1.00 12.56 H new ATOM 0 HA HIS A 106 18.627 31.484 39.627 1.00 12.77 H new ATOM 0 HB2 HIS A 106 17.147 31.503 37.164 1.00 12.07 H new ATOM 0 HB3 HIS A 106 18.268 30.439 37.370 1.00 12.07 H new ATOM 0 HD2 HIS A 106 17.438 28.627 39.682 1.00 13.27 H new ATOM 0 HE1 HIS A 106 13.444 28.726 39.023 1.00 13.28 H new ATOM 0 HE2 HIS A 106 15.211 27.515 40.153 1.00 12.69 H new ATOM 808 N PHE A 107 19.710 33.750 37.535 1.00 11.58 N ATOM 809 CA PHE A 107 20.881 34.341 36.721 1.00 15.72 C ATOM 810 C PHE A 107 22.258 34.524 37.411 1.00 10.63 C ATOM 811 O PHE A 107 23.247 34.282 36.738 1.00 10.44 O ATOM 812 CB PHE A 107 20.672 35.608 35.898 1.00 17.19 C ATOM 813 CG PHE A 107 19.680 35.265 34.734 1.00 11.05 C ATOM 814 CD1 PHE A 107 18.283 35.014 34.948 1.00 11.79 C ATOM 815 CD2 PHE A 107 20.206 35.153 33.474 1.00 10.80 C ATOM 816 CE1 PHE A 107 17.392 34.645 33.871 1.00 13.60 C ATOM 817 CE2 PHE A 107 19.330 34.772 32.406 1.00 18.77 C ATOM 818 CZ PHE A 107 17.925 34.518 32.605 1.00 12.94 C ATOM 0 H PHE A 107 19.029 34.274 37.565 1.00 11.58 H new ATOM 0 HA PHE A 107 20.892 33.570 36.132 1.00 15.72 H new ATOM 0 HB2 PHE A 107 20.313 36.318 36.453 1.00 17.19 H new ATOM 0 HB3 PHE A 107 21.517 35.926 35.542 1.00 17.19 H new ATOM 0 HD1 PHE A 107 17.939 35.091 35.809 1.00 11.79 H new ATOM 0 HD2 PHE A 107 21.107 35.320 33.316 1.00 10.80 H new ATOM 0 HE1 PHE A 107 16.487 34.498 34.027 1.00 13.60 H new ATOM 0 HE2 PHE A 107 19.682 34.685 31.550 1.00 18.77 H new ATOM 0 HZ PHE A 107 17.385 34.272 31.889 1.00 12.94 H new ATOM 819 N PRO A 108 22.394 34.941 38.661 1.00 10.33 N ATOM 820 CA PRO A 108 23.734 35.072 39.296 1.00 9.01 C ATOM 821 C PRO A 108 24.184 33.685 39.477 1.00 9.86 C ATOM 822 O PRO A 108 25.414 33.619 39.662 1.00 10.26 O ATOM 823 CB PRO A 108 23.529 35.748 40.667 1.00 14.43 C ATOM 824 CG PRO A 108 22.270 36.459 40.538 1.00 3.83 C ATOM 825 CD PRO A 108 21.439 35.639 39.462 1.00 3.20 C ATOM 0 HA PRO A 108 24.371 35.593 38.783 1.00 9.01 H new ATOM 0 HB2 PRO A 108 23.493 35.093 41.382 1.00 14.43 H new ATOM 0 HB3 PRO A 108 24.257 36.354 40.874 1.00 14.43 H new ATOM 0 HG2 PRO A 108 21.802 36.499 41.386 1.00 3.83 H new ATOM 0 HG3 PRO A 108 22.412 37.374 40.249 1.00 3.83 H new ATOM 0 HD2 PRO A 108 20.831 35.019 39.894 1.00 3.20 H new ATOM 0 HD3 PRO A 108 20.899 36.232 38.917 1.00 3.20 H new ATOM 826 N VAL A 109 23.223 32.589 39.547 1.00 10.16 N ATOM 827 CA VAL A 109 23.620 31.256 39.713 1.00 8.02 C ATOM 828 C VAL A 109 24.381 30.883 38.495 1.00 13.92 C ATOM 829 O VAL A 109 25.484 30.431 38.607 1.00 14.27 O ATOM 830 CB VAL A 109 22.369 30.153 39.863 1.00 14.24 C ATOM 831 CG1 VAL A 109 22.769 28.717 39.760 1.00 10.98 C ATOM 832 CG2 VAL A 109 21.663 30.341 41.186 1.00 8.41 C ATOM 0 H VAL A 109 22.372 32.698 39.491 1.00 10.16 H new ATOM 0 HA VAL A 109 24.124 31.215 40.541 1.00 8.02 H new ATOM 0 HB VAL A 109 21.791 30.341 39.107 1.00 14.24 H new ATOM 0 HG11 VAL A 109 21.985 28.155 39.858 1.00 10.98 H new ATOM 0 HG12 VAL A 109 23.176 28.556 38.894 1.00 10.98 H new ATOM 0 HG13 VAL A 109 23.406 28.507 40.461 1.00 10.98 H new ATOM 0 HG21 VAL A 109 20.941 29.698 41.262 1.00 8.41 H new ATOM 0 HG22 VAL A 109 22.293 30.207 41.911 1.00 8.41 H new ATOM 0 HG23 VAL A 109 21.301 31.240 41.235 1.00 8.41 H new ATOM 833 N VAL A 110 23.767 31.038 37.352 1.00 10.39 N ATOM 834 CA VAL A 110 24.447 30.710 36.114 1.00 11.44 C ATOM 835 C VAL A 110 25.764 31.695 35.860 1.00 9.98 C ATOM 836 O VAL A 110 26.794 31.301 35.403 1.00 11.30 O ATOM 837 CB VAL A 110 23.442 30.612 34.914 1.00 12.98 C ATOM 838 CG1 VAL A 110 24.139 30.472 33.548 1.00 14.97 C ATOM 839 CG2 VAL A 110 22.290 29.408 35.091 1.00 6.56 C ATOM 0 H VAL A 110 22.963 31.329 37.262 1.00 10.39 H new ATOM 0 HA VAL A 110 24.822 29.819 36.190 1.00 11.44 H new ATOM 0 HB VAL A 110 22.979 31.464 34.933 1.00 12.98 H new ATOM 0 HG11 VAL A 110 23.470 30.416 32.848 1.00 14.97 H new ATOM 0 HG12 VAL A 110 24.705 31.244 33.393 1.00 14.97 H new ATOM 0 HG13 VAL A 110 24.681 29.668 33.542 1.00 14.97 H new ATOM 0 HG21 VAL A 110 21.705 29.404 34.317 1.00 6.56 H new ATOM 0 HG22 VAL A 110 22.730 28.547 35.168 1.00 6.56 H new ATOM 0 HG23 VAL A 110 21.767 29.575 35.891 1.00 6.56 H new ATOM 840 N LYS A 111 25.794 32.956 36.228 1.00 10.26 N ATOM 841 CA LYS A 111 27.052 33.913 36.060 1.00 4.25 C ATOM 842 C LYS A 111 28.244 33.503 36.831 1.00 8.28 C ATOM 843 O LYS A 111 29.342 33.423 36.229 1.00 7.50 O ATOM 844 CB LYS A 111 26.768 35.274 36.583 1.00 7.61 C ATOM 845 CG LYS A 111 27.964 36.407 36.368 1.00 15.49 C ATOM 846 CD LYS A 111 27.543 37.733 36.889 1.00 18.28 C ATOM 847 CE LYS A 111 28.700 38.895 36.835 1.00 20.46 C ATOM 848 NZ LYS A 111 28.143 40.102 37.289 1.00 21.31 N ATOM 0 H LYS A 111 25.119 33.347 36.590 1.00 10.26 H new ATOM 0 HA LYS A 111 27.223 33.877 35.106 1.00 4.25 H new ATOM 0 HB2 LYS A 111 25.959 35.601 36.159 1.00 7.61 H new ATOM 0 HB3 LYS A 111 26.582 35.203 37.532 1.00 7.61 H new ATOM 0 HG2 LYS A 111 28.772 36.119 36.822 1.00 15.49 H new ATOM 0 HG3 LYS A 111 28.179 36.480 35.425 1.00 15.49 H new ATOM 0 HD2 LYS A 111 26.774 38.036 36.381 1.00 18.28 H new ATOM 0 HD3 LYS A 111 27.252 37.627 37.808 1.00 18.28 H new ATOM 0 HE2 LYS A 111 29.456 38.644 37.388 1.00 20.46 H new ATOM 0 HE3 LYS A 111 29.033 38.997 35.930 1.00 20.46 H new ATOM 0 HZ1 LYS A 111 28.789 40.703 37.403 1.00 21.31 H new ATOM 0 HZ2 LYS A 111 27.560 40.404 36.689 1.00 21.31 H new ATOM 0 HZ3 LYS A 111 27.727 39.964 38.063 1.00 21.31 H new ATOM 849 N GLU A 112 28.024 33.163 38.098 1.00 5.23 N ATOM 850 CA GLU A 112 29.121 32.684 38.850 1.00 9.64 C ATOM 851 C GLU A 112 29.567 31.399 38.323 1.00 8.52 C ATOM 852 O GLU A 112 30.814 31.349 38.225 1.00 11.87 O ATOM 853 CB GLU A 112 28.847 32.534 40.365 1.00 3.10 C ATOM 854 CG GLU A 112 28.485 33.867 40.952 1.00 16.42 C ATOM 855 CD GLU A 112 29.698 34.994 40.847 1.00 21.24 C ATOM 856 OE1 GLU A 112 30.846 34.727 41.123 1.00 20.36 O ATOM 857 OE2 GLU A 112 29.590 36.130 40.334 1.00 16.30 O ATOM 0 H GLU A 112 27.270 33.207 38.509 1.00 5.23 H new ATOM 0 HA GLU A 112 29.808 33.362 38.759 1.00 9.64 H new ATOM 0 HB2 GLU A 112 28.127 31.901 40.511 1.00 3.10 H new ATOM 0 HB3 GLU A 112 29.632 32.178 40.810 1.00 3.10 H new ATOM 0 HG2 GLU A 112 27.698 34.208 40.499 1.00 16.42 H new ATOM 0 HG3 GLU A 112 28.246 33.747 41.884 1.00 16.42 H new ATOM 858 N ALA A 113 28.605 30.493 37.828 1.00 8.07 N ATOM 859 CA ALA A 113 28.909 29.216 37.277 1.00 3.83 C ATOM 860 C ALA A 113 29.688 29.454 35.977 1.00 3.00 C ATOM 861 O ALA A 113 30.600 28.766 35.762 1.00 7.97 O ATOM 862 CB ALA A 113 27.582 28.283 37.039 1.00 7.04 C ATOM 0 H ALA A 113 27.763 30.666 37.832 1.00 8.07 H new ATOM 0 HA ALA A 113 29.446 28.712 37.908 1.00 3.83 H new ATOM 0 HB1 ALA A 113 27.849 27.429 36.664 1.00 7.04 H new ATOM 0 HB2 ALA A 113 27.133 28.137 37.886 1.00 7.04 H new ATOM 0 HB3 ALA A 113 26.978 28.730 36.426 1.00 7.04 H new ATOM 863 N ILE A 114 29.416 30.427 35.168 1.00 9.41 N ATOM 864 CA ILE A 114 30.194 30.775 33.897 1.00 7.61 C ATOM 865 C ILE A 114 31.644 31.464 34.162 1.00 8.30 C ATOM 866 O ILE A 114 32.625 31.026 33.631 1.00 9.66 O ATOM 867 CB ILE A 114 29.507 31.744 32.995 1.00 5.56 C ATOM 868 CG1 ILE A 114 28.256 30.885 32.351 1.00 5.37 C ATOM 869 CG2 ILE A 114 30.526 32.392 31.898 1.00 7.72 C ATOM 870 CD1 ILE A 114 27.519 31.724 31.396 1.00 13.13 C ATOM 0 H ILE A 114 28.753 30.958 35.303 1.00 9.41 H new ATOM 0 HA ILE A 114 30.275 29.897 33.493 1.00 7.61 H new ATOM 0 HB ILE A 114 29.176 32.528 33.460 1.00 5.56 H new ATOM 0 HG12 ILE A 114 28.592 30.092 31.906 1.00 5.37 H new ATOM 0 HG13 ILE A 114 27.662 30.584 33.056 1.00 5.37 H new ATOM 0 HG21 ILE A 114 30.041 33.014 31.333 1.00 7.72 H new ATOM 0 HG22 ILE A 114 31.240 32.862 32.357 1.00 7.72 H new ATOM 0 HG23 ILE A 114 30.904 31.686 31.350 1.00 7.72 H new ATOM 0 HD11 ILE A 114 26.784 31.216 31.019 1.00 13.13 H new ATOM 0 HD12 ILE A 114 27.171 32.505 31.853 1.00 13.13 H new ATOM 0 HD13 ILE A 114 28.115 32.005 30.685 1.00 13.13 H new ATOM 871 N LEU A 115 31.796 32.370 35.138 1.00 8.61 N ATOM 872 CA LEU A 115 33.147 33.041 35.534 1.00 7.91 C ATOM 873 C LEU A 115 33.975 32.054 36.157 1.00 9.01 C ATOM 874 O LEU A 115 35.180 32.080 35.817 1.00 15.91 O ATOM 875 CB LEU A 115 33.067 34.203 36.522 1.00 14.93 C ATOM 876 CG LEU A 115 32.424 35.403 35.936 1.00 12.66 C ATOM 877 CD1 LEU A 115 32.275 36.415 37.064 1.00 14.89 C ATOM 878 CD2 LEU A 115 33.262 36.143 34.773 1.00 8.27 C ATOM 0 H LEU A 115 31.136 32.642 35.617 1.00 8.61 H new ATOM 0 HA LEU A 115 33.489 33.402 34.701 1.00 7.91 H new ATOM 0 HB2 LEU A 115 32.569 33.923 37.306 1.00 14.93 H new ATOM 0 HB3 LEU A 115 33.961 34.432 36.821 1.00 14.93 H new ATOM 0 HG LEU A 115 31.595 35.099 35.534 1.00 12.66 H new ATOM 0 HD11 LEU A 115 31.856 37.221 36.723 1.00 14.89 H new ATOM 0 HD12 LEU A 115 31.724 36.037 37.767 1.00 14.89 H new ATOM 0 HD13 LEU A 115 33.150 36.633 37.421 1.00 14.89 H new ATOM 0 HD21 LEU A 115 32.764 36.912 34.454 1.00 8.27 H new ATOM 0 HD22 LEU A 115 34.117 36.436 35.126 1.00 8.27 H new ATOM 0 HD23 LEU A 115 33.410 35.527 34.039 1.00 8.27 H new ATOM 879 N LYS A 116 33.352 31.145 36.984 1.00 5.58 N ATOM 880 CA LYS A 116 34.160 30.185 37.543 1.00 4.04 C ATOM 881 C LYS A 116 34.496 29.154 36.509 1.00 8.12 C ATOM 882 O LYS A 116 35.637 28.793 36.528 1.00 12.16 O ATOM 883 CB LYS A 116 33.462 29.433 38.750 1.00 4.78 C ATOM 884 CG LYS A 116 33.302 30.385 39.918 1.00 39.76 C ATOM 885 CD LYS A 116 32.551 29.649 41.126 1.00 44.50 C ATOM 886 CE LYS A 116 32.178 30.628 42.226 1.00 44.19 C ATOM 887 NZ LYS A 116 31.408 29.857 43.302 0.00 0.00 N ATOM 0 H LYS A 116 32.516 31.118 37.184 1.00 5.58 H new ATOM 0 HA LYS A 116 34.950 30.641 37.872 1.00 4.04 H new ATOM 0 HB2 LYS A 116 32.595 29.096 38.475 1.00 4.78 H new ATOM 0 HB3 LYS A 116 33.993 28.666 39.016 1.00 4.78 H new ATOM 0 HG2 LYS A 116 34.172 30.698 40.211 1.00 39.76 H new ATOM 0 HG3 LYS A 116 32.798 31.166 39.642 1.00 39.76 H new ATOM 0 HD2 LYS A 116 31.751 29.213 40.794 1.00 44.50 H new ATOM 0 HD3 LYS A 116 33.123 28.954 41.489 1.00 44.50 H new ATOM 0 HE2 LYS A 116 32.974 31.034 42.603 1.00 44.19 H new ATOM 0 HE3 LYS A 116 31.634 31.348 41.870 1.00 44.19 H new ATOM 0 HZ1 LYS A 116 31.179 30.412 43.959 0.00 0.00 H new ATOM 0 HZ2 LYS A 116 30.674 29.501 42.945 0.00 0.00 H new ATOM 0 HZ3 LYS A 116 31.923 29.209 43.629 0.00 0.00 H new ATOM 888 N THR A 117 33.617 28.782 35.562 1.00 8.63 N ATOM 889 CA THR A 117 33.897 27.911 34.468 1.00 8.08 C ATOM 890 C THR A 117 35.096 28.579 33.637 1.00 10.81 C ATOM 891 O THR A 117 35.983 27.903 33.291 1.00 16.49 O ATOM 892 CB THR A 117 32.649 27.449 33.545 1.00 13.51 C ATOM 893 OG1 THR A 117 31.593 26.701 34.319 1.00 10.06 O ATOM 894 CG2 THR A 117 32.946 26.554 32.340 1.00 7.68 C ATOM 0 H THR A 117 32.803 29.060 35.563 1.00 8.63 H new ATOM 0 HA THR A 117 34.151 27.052 34.839 1.00 8.08 H new ATOM 0 HB THR A 117 32.361 28.317 33.222 1.00 13.51 H new ATOM 0 HG1 THR A 117 31.180 27.236 34.818 1.00 10.06 H new ATOM 0 HG21 THR A 117 32.119 26.352 31.875 1.00 7.68 H new ATOM 0 HG22 THR A 117 33.551 27.013 31.737 1.00 7.68 H new ATOM 0 HG23 THR A 117 33.357 25.729 32.643 1.00 7.68 H new ATOM 895 N ILE A 118 35.084 29.815 33.210 1.00 12.63 N ATOM 896 CA ILE A 118 36.166 30.486 32.345 1.00 9.63 C ATOM 897 C ILE A 118 37.494 30.743 33.132 1.00 12.92 C ATOM 898 O ILE A 118 38.555 30.469 32.619 1.00 11.81 O ATOM 899 CB ILE A 118 35.792 31.874 31.932 1.00 14.67 C ATOM 900 CG1 ILE A 118 34.683 31.631 30.850 1.00 16.90 C ATOM 901 CG2 ILE A 118 37.043 32.774 31.383 1.00 14.98 C ATOM 902 CD1 ILE A 118 35.063 30.802 29.632 1.00 15.09 C ATOM 0 H ILE A 118 34.438 30.351 33.398 1.00 12.63 H new ATOM 0 HA ILE A 118 36.264 29.869 31.603 1.00 9.63 H new ATOM 0 HB ILE A 118 35.484 32.407 32.682 1.00 14.67 H new ATOM 0 HG12 ILE A 118 33.931 31.199 31.284 1.00 16.90 H new ATOM 0 HG13 ILE A 118 34.373 32.496 30.539 1.00 16.90 H new ATOM 0 HG21 ILE A 118 36.724 33.656 31.136 1.00 14.98 H new ATOM 0 HG22 ILE A 118 37.713 32.857 32.080 1.00 14.98 H new ATOM 0 HG23 ILE A 118 37.435 32.344 30.607 1.00 14.98 H new ATOM 0 HD11 ILE A 118 34.297 30.724 29.042 1.00 15.09 H new ATOM 0 HD12 ILE A 118 35.792 31.235 29.160 1.00 15.09 H new ATOM 0 HD13 ILE A 118 35.343 29.918 29.917 1.00 15.09 H new ATOM 903 N LYS A 119 37.398 30.888 34.434 1.00 9.15 N ATOM 904 CA LYS A 119 38.631 30.982 35.229 1.00 12.45 C ATOM 905 C LYS A 119 39.239 29.685 35.306 1.00 14.06 C ATOM 906 O LYS A 119 40.475 29.713 35.059 1.00 15.62 O ATOM 907 CB LYS A 119 38.382 31.507 36.640 1.00 21.33 C ATOM 908 CG LYS A 119 39.641 31.660 37.531 1.00 25.44 C ATOM 909 CD LYS A 119 39.262 32.044 38.966 1.00 26.26 C ATOM 910 CE LYS A 119 39.109 33.535 39.174 0.00 0.00 C ATOM 911 NZ LYS A 119 38.987 33.805 40.610 0.00 0.00 N ATOM 0 H LYS A 119 36.663 30.934 34.878 1.00 9.15 H new ATOM 0 HA LYS A 119 39.217 31.615 34.785 1.00 12.45 H new ATOM 0 HB2 LYS A 119 37.946 32.371 36.574 1.00 21.33 H new ATOM 0 HB3 LYS A 119 37.761 30.909 37.085 1.00 21.33 H new ATOM 0 HG2 LYS A 119 40.139 30.828 37.537 1.00 25.44 H new ATOM 0 HG3 LYS A 119 40.225 32.337 37.156 1.00 25.44 H new ATOM 0 HD2 LYS A 119 38.429 31.605 39.201 1.00 26.26 H new ATOM 0 HD3 LYS A 119 39.941 31.708 39.573 1.00 26.26 H new ATOM 0 HE2 LYS A 119 39.875 34.005 38.808 0.00 0.00 H new ATOM 0 HE3 LYS A 119 38.325 33.860 38.704 0.00 0.00 H new ATOM 0 HZ1 LYS A 119 38.897 34.681 40.741 0.00 0.00 H new ATOM 0 HZ2 LYS A 119 38.273 33.382 40.932 0.00 0.00 H new ATOM 0 HZ3 LYS A 119 39.717 33.517 41.030 0.00 0.00 H new ATOM 912 N GLU A 120 38.358 28.565 35.266 1.00 13.27 N ATOM 913 CA GLU A 120 38.843 27.262 35.169 1.00 11.08 C ATOM 914 C GLU A 120 39.344 26.958 33.776 1.00 13.51 C ATOM 915 O GLU A 120 40.394 26.432 33.662 1.00 19.52 O ATOM 916 CB GLU A 120 37.780 26.074 35.699 1.00 12.94 C ATOM 917 CG GLU A 120 37.480 26.295 37.168 1.00 32.58 C ATOM 918 CD GLU A 120 36.395 25.150 37.633 1.00 41.10 C ATOM 919 OE1 GLU A 120 36.026 25.127 38.848 1.00 37.47 O ATOM 920 OE2 GLU A 120 36.260 24.067 36.972 1.00 33.30 O ATOM 0 H GLU A 120 37.501 28.625 35.298 1.00 13.27 H new ATOM 0 HA GLU A 120 39.590 27.231 35.787 1.00 11.08 H new ATOM 0 HB2 GLU A 120 36.960 26.104 35.182 1.00 12.94 H new ATOM 0 HB3 GLU A 120 38.167 25.195 35.565 1.00 12.94 H new ATOM 0 HG2 GLU A 120 38.292 26.229 37.695 1.00 32.58 H new ATOM 0 HG3 GLU A 120 37.120 27.184 37.312 1.00 32.58 H new ATOM 921 N VAL A 121 38.699 27.364 32.750 1.00 11.25 N ATOM 922 CA VAL A 121 39.136 27.178 31.375 1.00 8.45 C ATOM 923 C VAL A 121 40.560 27.932 31.122 1.00 14.44 C ATOM 924 O VAL A 121 41.375 27.332 30.491 1.00 15.76 O ATOM 925 CB VAL A 121 38.090 27.589 30.374 1.00 10.55 C ATOM 926 CG1 VAL A 121 38.615 27.793 28.932 1.00 10.06 C ATOM 927 CG2 VAL A 121 36.720 26.560 30.402 1.00 9.93 C ATOM 0 H VAL A 121 37.950 27.782 32.811 1.00 11.25 H new ATOM 0 HA VAL A 121 39.271 26.227 31.237 1.00 8.45 H new ATOM 0 HB VAL A 121 37.811 28.469 30.671 1.00 10.55 H new ATOM 0 HG11 VAL A 121 37.881 28.055 28.354 1.00 10.06 H new ATOM 0 HG12 VAL A 121 39.292 28.488 28.929 1.00 10.06 H new ATOM 0 HG13 VAL A 121 39.001 26.964 28.608 1.00 10.06 H new ATOM 0 HG21 VAL A 121 36.075 26.862 29.743 1.00 9.93 H new ATOM 0 HG22 VAL A 121 36.992 25.652 30.195 1.00 9.93 H new ATOM 0 HG23 VAL A 121 36.316 26.583 31.284 1.00 9.93 H new ATOM 928 N VAL A 122 40.890 29.206 31.529 1.00 10.43 N ATOM 929 CA VAL A 122 42.168 30.025 31.076 1.00 5.90 C ATOM 930 C VAL A 122 43.323 29.925 32.028 1.00 14.77 C ATOM 931 O VAL A 122 44.500 30.186 31.597 1.00 16.16 O ATOM 932 CB VAL A 122 42.076 31.521 30.869 1.00 7.63 C ATOM 933 CG1 VAL A 122 40.961 31.606 29.800 1.00 9.33 C ATOM 934 CG2 VAL A 122 41.753 32.166 32.192 1.00 7.20 C ATOM 0 H VAL A 122 40.396 29.647 32.078 1.00 10.43 H new ATOM 0 HA VAL A 122 42.275 29.582 30.219 1.00 5.90 H new ATOM 0 HB VAL A 122 42.876 31.984 30.573 1.00 7.63 H new ATOM 0 HG11 VAL A 122 40.800 32.535 29.573 1.00 9.33 H new ATOM 0 HG12 VAL A 122 41.237 31.122 29.006 1.00 9.33 H new ATOM 0 HG13 VAL A 122 40.146 31.214 30.150 1.00 9.33 H new ATOM 0 HG21 VAL A 122 41.690 33.127 32.077 1.00 7.20 H new ATOM 0 HG22 VAL A 122 40.907 31.824 32.521 1.00 7.20 H new ATOM 0 HG23 VAL A 122 42.454 31.962 32.831 1.00 7.20 H new ATOM 935 N GLY A 123 42.981 29.360 33.183 1.00 14.98 N ATOM 936 CA GLY A 123 43.991 29.178 34.177 1.00 12.49 C ATOM 937 C GLY A 123 44.971 30.474 34.437 1.00 17.32 C ATOM 938 O GLY A 123 44.534 31.503 34.878 1.00 16.77 O ATOM 0 H GLY A 123 42.193 29.088 33.393 1.00 14.98 H new ATOM 0 HA2 GLY A 123 43.560 28.945 35.014 1.00 12.49 H new ATOM 0 HA3 GLY A 123 44.542 28.422 33.921 1.00 12.49 H new ATOM 939 N ALA A 124 46.256 30.357 34.331 1.00 21.54 N ATOM 940 CA ALA A 124 47.362 31.450 34.730 1.00 17.91 C ATOM 941 C ALA A 124 47.391 32.683 33.856 1.00 14.27 C ATOM 942 O ALA A 124 48.064 33.753 34.302 1.00 17.15 O ATOM 943 CB ALA A 124 48.787 31.070 34.639 1.00 16.95 C ATOM 0 H ALA A 124 46.613 29.639 34.020 1.00 21.54 H new ATOM 0 HA ALA A 124 47.059 31.576 35.643 1.00 17.91 H new ATOM 0 HB1 ALA A 124 49.340 31.820 34.907 1.00 16.95 H new ATOM 0 HB2 ALA A 124 48.959 30.316 35.225 1.00 16.95 H new ATOM 0 HB3 ALA A 124 48.999 30.824 33.725 1.00 16.95 H new ATOM 944 N LYS A 125 46.634 32.541 32.744 1.00 12.00 N ATOM 945 CA LYS A 125 46.537 33.746 31.910 1.00 15.08 C ATOM 946 C LYS A 125 45.563 34.618 32.495 1.00 17.59 C ATOM 947 O LYS A 125 45.177 35.541 31.833 1.00 14.92 O ATOM 948 CB LYS A 125 46.178 33.382 30.444 1.00 16.66 C ATOM 949 CG LYS A 125 47.210 32.555 29.843 1.00 30.32 C ATOM 950 CD LYS A 125 47.024 32.327 28.324 1.00 28.71 C ATOM 951 CE LYS A 125 45.643 31.530 27.929 1.00 32.23 C ATOM 952 NZ LYS A 125 45.440 30.135 28.460 1.00 31.10 N ATOM 0 H LYS A 125 46.215 31.838 32.481 1.00 12.00 H new ATOM 0 HA LYS A 125 47.394 34.198 31.877 1.00 15.08 H new ATOM 0 HB2 LYS A 125 45.330 32.912 30.423 1.00 16.66 H new ATOM 0 HB3 LYS A 125 46.066 34.193 29.924 1.00 16.66 H new ATOM 0 HG2 LYS A 125 48.074 32.969 29.996 1.00 30.32 H new ATOM 0 HG3 LYS A 125 47.225 31.695 30.291 1.00 30.32 H new ATOM 0 HD2 LYS A 125 47.030 33.187 27.875 1.00 28.71 H new ATOM 0 HD3 LYS A 125 47.783 31.826 27.987 1.00 28.71 H new ATOM 0 HE2 LYS A 125 44.895 32.071 28.227 1.00 32.23 H new ATOM 0 HE3 LYS A 125 45.594 31.487 26.961 1.00 32.23 H new ATOM 0 HZ1 LYS A 125 44.572 29.992 28.594 1.00 31.10 H new ATOM 0 HZ2 LYS A 125 45.750 29.545 27.870 1.00 31.10 H new ATOM 0 HZ3 LYS A 125 45.878 30.043 29.229 1.00 31.10 H new ATOM 953 N TRP A 126 44.931 34.190 33.603 1.00 14.63 N ATOM 954 CA TRP A 126 43.825 34.889 34.043 1.00 15.27 C ATOM 955 C TRP A 126 44.355 36.345 34.459 1.00 16.58 C ATOM 956 O TRP A 126 45.490 36.583 35.031 1.00 14.81 O ATOM 957 CB TRP A 126 43.077 34.075 35.227 1.00 14.06 C ATOM 958 CG TRP A 126 41.768 34.606 35.578 1.00 26.41 C ATOM 959 CD1 TRP A 126 40.573 34.419 34.931 1.00 25.25 C ATOM 960 CD2 TRP A 126 41.617 35.486 36.617 1.00 25.00 C ATOM 961 NE1 TRP A 126 39.666 35.103 35.609 1.00 28.74 N ATOM 962 CE2 TRP A 126 40.269 35.696 36.605 1.00 23.56 C ATOM 963 CE3 TRP A 126 42.545 36.118 37.522 1.00 28.62 C ATOM 964 CZ2 TRP A 126 39.770 36.517 37.506 1.00 33.38 C ATOM 965 CZ3 TRP A 126 42.051 37.000 38.416 1.00 39.33 C ATOM 966 CH2 TRP A 126 40.702 37.184 38.407 1.00 36.63 C ATOM 0 H TRP A 126 45.155 33.507 34.074 1.00 14.63 H new ATOM 0 HA TRP A 126 43.144 34.992 33.360 1.00 15.27 H new ATOM 0 HB2 TRP A 126 42.978 33.149 34.957 1.00 14.06 H new ATOM 0 HB3 TRP A 126 43.640 34.081 36.017 1.00 14.06 H new ATOM 0 HD1 TRP A 126 40.429 33.911 34.166 1.00 25.25 H new ATOM 0 HE1 TRP A 126 38.827 35.149 35.426 1.00 28.74 H new ATOM 0 HE3 TRP A 126 43.454 35.924 37.491 1.00 28.62 H new ATOM 0 HZ2 TRP A 126 38.854 36.666 37.565 1.00 33.38 H new ATOM 0 HZ3 TRP A 126 42.603 37.458 39.007 1.00 39.33 H new ATOM 0 HH2 TRP A 126 40.347 37.782 39.024 1.00 36.63 H new ATOM 967 N SER A 127 43.629 37.305 34.121 1.00 12.61 N ATOM 968 CA SER A 127 44.042 38.714 34.587 1.00 11.45 C ATOM 969 C SER A 127 42.843 39.372 35.031 1.00 16.51 C ATOM 970 O SER A 127 41.666 38.818 34.747 1.00 12.20 O ATOM 971 CB SER A 127 44.816 39.602 33.493 1.00 6.93 C ATOM 972 OG SER A 127 43.903 39.764 32.450 1.00 12.82 O ATOM 0 H SER A 127 42.913 37.255 33.648 1.00 12.61 H new ATOM 0 HA SER A 127 44.695 38.614 35.297 1.00 11.45 H new ATOM 0 HB2 SER A 127 45.084 40.458 33.861 1.00 6.93 H new ATOM 0 HB3 SER A 127 45.623 39.159 33.188 1.00 6.93 H new ATOM 0 HG SER A 127 44.112 39.257 31.813 1.00 12.82 H new ATOM 973 N GLU A 128 43.110 40.515 35.673 1.00 15.91 N ATOM 974 CA GLU A 128 42.042 41.261 36.097 1.00 11.98 C ATOM 975 C GLU A 128 41.343 41.749 34.909 1.00 6.50 C ATOM 976 O GLU A 128 40.124 41.848 35.001 1.00 15.74 O ATOM 977 CB GLU A 128 42.585 42.515 36.955 1.00 16.44 C ATOM 978 CG GLU A 128 43.000 42.012 38.329 1.00 47.30 C ATOM 979 CD GLU A 128 43.483 43.212 39.242 0.00 0.00 C ATOM 980 OE1 GLU A 128 44.454 43.134 40.020 0.00 0.00 O ATOM 981 OE2 GLU A 128 42.694 44.035 39.515 0.00 0.00 O ATOM 0 H GLU A 128 43.891 40.830 35.847 1.00 15.91 H new ATOM 0 HA GLU A 128 41.445 40.731 36.649 1.00 11.98 H new ATOM 0 HB2 GLU A 128 43.338 42.931 36.506 1.00 16.44 H new ATOM 0 HB3 GLU A 128 41.895 43.192 37.037 1.00 16.44 H new ATOM 0 HG2 GLU A 128 42.254 41.558 38.751 1.00 47.30 H new ATOM 0 HG3 GLU A 128 43.713 41.361 38.238 1.00 47.30 H new ATOM 982 N GLU A 129 42.143 42.229 33.944 1.00 7.07 N ATOM 983 CA GLU A 129 41.609 42.785 32.750 1.00 9.50 C ATOM 984 C GLU A 129 40.618 41.690 32.038 1.00 11.25 C ATOM 985 O GLU A 129 39.632 41.990 31.409 1.00 13.53 O ATOM 986 CB GLU A 129 42.832 43.194 31.828 1.00 13.66 C ATOM 987 CG GLU A 129 42.437 43.840 30.520 1.00 28.81 C ATOM 988 CD GLU A 129 42.508 45.332 30.806 1.00 40.68 C ATOM 989 OE1 GLU A 129 43.337 46.122 30.114 1.00 36.91 O ATOM 990 OE2 GLU A 129 41.848 45.756 31.762 1.00 38.85 O ATOM 0 H GLU A 129 43.002 42.230 33.986 1.00 7.07 H new ATOM 0 HA GLU A 129 41.074 43.575 32.923 1.00 9.50 H new ATOM 0 HB2 GLU A 129 43.403 43.805 32.319 1.00 13.66 H new ATOM 0 HB3 GLU A 129 43.360 42.402 31.639 1.00 13.66 H new ATOM 0 HG2 GLU A 129 43.040 43.587 29.803 1.00 28.81 H new ATOM 0 HG3 GLU A 129 41.545 43.573 30.248 1.00 28.81 H new ATOM 991 N LEU A 130 40.903 40.459 32.076 1.00 18.36 N ATOM 992 CA LEU A 130 40.010 39.315 31.449 1.00 16.85 C ATOM 993 C LEU A 130 38.680 39.053 32.218 1.00 8.01 C ATOM 994 O LEU A 130 37.595 38.789 31.626 1.00 14.72 O ATOM 995 CB LEU A 130 40.744 38.050 31.430 1.00 15.69 C ATOM 996 CG LEU A 130 39.890 36.748 30.884 1.00 14.65 C ATOM 997 CD1 LEU A 130 39.564 36.875 29.376 1.00 18.69 C ATOM 998 CD2 LEU A 130 40.621 35.545 31.175 1.00 20.83 C ATOM 0 H LEU A 130 41.616 40.161 32.454 1.00 18.36 H new ATOM 0 HA LEU A 130 39.793 39.629 30.557 1.00 16.85 H new ATOM 0 HB2 LEU A 130 41.531 38.158 30.874 1.00 15.69 H new ATOM 0 HB3 LEU A 130 41.055 37.860 32.329 1.00 15.69 H new ATOM 0 HG LEU A 130 39.037 36.712 31.345 1.00 14.65 H new ATOM 0 HD11 LEU A 130 39.063 36.097 29.086 1.00 18.69 H new ATOM 0 HD12 LEU A 130 39.035 37.674 29.225 1.00 18.69 H new ATOM 0 HD13 LEU A 130 40.390 36.934 28.870 1.00 18.69 H new ATOM 0 HD21 LEU A 130 40.122 34.777 30.855 1.00 20.83 H new ATOM 0 HD22 LEU A 130 41.484 35.576 30.733 1.00 20.83 H new ATOM 0 HD23 LEU A 130 40.751 35.469 32.133 1.00 20.83 H new ATOM 999 N ASN A 131 38.759 39.046 33.504 1.00 11.29 N ATOM 1000 CA ASN A 131 37.612 38.786 34.375 1.00 6.65 C ATOM 1001 C ASN A 131 36.760 39.890 34.164 1.00 9.85 C ATOM 1002 O ASN A 131 35.510 39.571 34.071 1.00 15.84 O ATOM 1003 CB ASN A 131 38.145 38.941 35.808 1.00 10.42 C ATOM 1004 CG ASN A 131 36.925 38.613 36.735 1.00 22.14 C ATOM 1005 OD1 ASN A 131 36.617 39.523 37.467 1.00 24.93 O ATOM 1006 ND2 ASN A 131 36.322 37.360 36.762 1.00 18.47 N ATOM 0 H ASN A 131 39.491 39.194 33.931 1.00 11.29 H new ATOM 0 HA ASN A 131 37.186 37.928 34.223 1.00 6.65 H new ATOM 0 HB2 ASN A 131 38.885 38.336 35.975 1.00 10.42 H new ATOM 0 HB3 ASN A 131 38.473 39.840 35.965 1.00 10.42 H new ATOM 0 HD21 ASN A 131 35.691 37.199 37.323 1.00 18.47 H new ATOM 0 HD22 ASN A 131 36.580 36.747 36.217 1.00 18.47 H new ATOM 1007 N SER A 132 37.416 41.133 34.051 1.00 8.68 N ATOM 1008 CA SER A 132 36.682 42.275 33.856 1.00 3.00 C ATOM 1009 C SER A 132 36.006 42.226 32.500 1.00 5.79 C ATOM 1010 O SER A 132 34.814 42.484 32.383 1.00 13.94 O ATOM 1011 CB SER A 132 37.601 43.657 33.994 1.00 3.00 C ATOM 1012 OG ASER A 132 38.371 43.929 32.791 0.33 15.56 O ATOM 1013 OG BSER A 132 38.178 43.638 35.271 0.33 5.72 O ATOM 1014 OG CSER A 132 36.984 44.596 33.234 0.33 13.15 O ATOM 0 H SER A 132 38.267 41.246 34.095 1.00 8.68 H new ATOM 0 HA SER A 132 36.012 42.312 34.556 1.00 3.00 H new ATOM 0 HB2ASER A 132 37.021 44.411 34.182 0.33 3.00 H new ATOM 0 HB2BSER A 132 38.286 43.684 33.308 0.33 3.00 H new ATOM 0 HB2CSER A 132 37.660 43.943 34.919 0.33 3.00 H new ATOM 0 HB3ASER A 132 38.204 43.568 34.749 0.33 3.00 H new ATOM 0 HB3BSER A 132 37.052 44.448 33.877 0.33 3.00 H new ATOM 0 HB3CSER A 132 38.508 43.503 33.686 0.33 3.00 H new ATOM 0 HG ASER A 132 38.600 43.204 32.435 0.33 13.15 H new ATOM 0 HG BSER A 132 38.893 43.197 35.249 0.33 13.15 H new ATOM 0 HG CSER A 132 37.414 45.316 33.274 0.33 13.15 H new ATOM 1015 N ALA A 133 36.667 41.747 31.509 1.00 13.54 N ATOM 1016 CA ALA A 133 36.072 41.601 30.157 1.00 15.95 C ATOM 1017 C ALA A 133 34.791 40.538 30.046 1.00 13.86 C ATOM 1018 O ALA A 133 33.736 40.850 29.528 1.00 14.57 O ATOM 1019 CB ALA A 133 37.107 41.304 29.108 1.00 10.96 C ATOM 0 H ALA A 133 37.484 41.484 31.564 1.00 13.54 H new ATOM 0 HA ALA A 133 35.690 42.476 29.983 1.00 15.95 H new ATOM 0 HB1 ALA A 133 36.676 41.217 28.243 1.00 10.96 H new ATOM 0 HB2 ALA A 133 37.752 42.028 29.076 1.00 10.96 H new ATOM 0 HB3 ALA A 133 37.562 40.476 29.327 1.00 10.96 H new ATOM 1020 N TRP A 134 34.828 39.326 30.566 1.00 12.03 N ATOM 1021 CA TRP A 134 33.612 38.278 30.613 1.00 11.16 C ATOM 1022 C TRP A 134 32.525 38.711 31.536 1.00 17.54 C ATOM 1023 O TRP A 134 31.303 38.319 31.296 1.00 14.48 O ATOM 1024 CB TRP A 134 33.991 36.954 31.157 1.00 7.87 C ATOM 1025 CG TRP A 134 34.596 36.124 30.079 1.00 12.42 C ATOM 1026 CD1 TRP A 134 35.913 36.103 29.807 1.00 9.41 C ATOM 1027 CD2 TRP A 134 33.867 35.166 29.193 1.00 11.90 C ATOM 1028 NE1 TRP A 134 36.012 35.157 28.773 1.00 9.37 N ATOM 1029 CE2 TRP A 134 34.809 34.637 28.409 1.00 9.88 C ATOM 1030 CE3 TRP A 134 32.484 34.713 29.052 1.00 18.41 C ATOM 1031 CZ2 TRP A 134 34.406 33.678 27.401 1.00 10.27 C ATOM 1032 CZ3 TRP A 134 32.081 33.740 28.053 1.00 9.34 C ATOM 1033 CH2 TRP A 134 33.026 33.268 27.230 1.00 12.69 C ATOM 0 H TRP A 134 35.542 39.012 30.928 1.00 12.03 H new ATOM 0 HA TRP A 134 33.337 38.231 29.684 1.00 11.16 H new ATOM 0 HB2 TRP A 134 34.621 37.062 31.886 1.00 7.87 H new ATOM 0 HB3 TRP A 134 33.210 36.508 31.521 1.00 7.87 H new ATOM 0 HD1 TRP A 134 36.593 36.595 30.207 1.00 9.41 H new ATOM 0 HE1 TRP A 134 36.757 34.930 28.408 1.00 9.37 H new ATOM 0 HE3 TRP A 134 31.838 35.061 29.624 1.00 18.41 H new ATOM 0 HZ2 TRP A 134 35.055 33.313 26.844 1.00 10.27 H new ATOM 0 HZ3 TRP A 134 31.198 33.455 27.987 1.00 9.34 H new ATOM 0 HH2 TRP A 134 32.797 32.677 26.549 1.00 12.69 H new ATOM 1034 N THR A 135 32.913 39.510 32.575 1.00 14.51 N ATOM 1035 CA THR A 135 31.890 39.976 33.479 1.00 9.65 C ATOM 1036 C THR A 135 31.077 40.941 32.767 1.00 6.78 C ATOM 1037 O THR A 135 29.829 40.787 32.907 1.00 9.72 O ATOM 1038 CB THR A 135 32.615 40.652 34.744 1.00 12.70 C ATOM 1039 OG1 THR A 135 33.108 39.634 35.566 1.00 10.06 O ATOM 1040 CG2 THR A 135 31.670 41.358 35.612 1.00 17.06 C ATOM 0 H THR A 135 33.717 39.765 32.744 1.00 14.51 H new ATOM 0 HA THR A 135 31.323 39.254 33.792 1.00 9.65 H new ATOM 0 HB THR A 135 33.287 41.254 34.388 1.00 12.70 H new ATOM 0 HG1 THR A 135 33.877 39.414 35.309 1.00 10.06 H new ATOM 0 HG21 THR A 135 32.148 41.749 36.360 1.00 17.06 H new ATOM 0 HG22 THR A 135 31.229 42.060 35.108 1.00 17.06 H new ATOM 0 HG23 THR A 135 31.006 40.733 35.944 1.00 17.06 H new ATOM 1041 N ILE A 136 31.748 41.906 32.041 1.00 5.95 N ATOM 1042 CA ILE A 136 31.058 42.886 31.403 1.00 4.88 C ATOM 1043 C ILE A 136 30.216 42.166 30.287 1.00 7.45 C ATOM 1044 O ILE A 136 29.062 42.429 30.075 1.00 17.43 O ATOM 1045 CB ILE A 136 32.130 43.979 30.748 1.00 10.81 C ATOM 1046 CG1 ILE A 136 33.037 44.809 31.793 1.00 21.61 C ATOM 1047 CG2 ILE A 136 31.522 44.953 29.808 1.00 16.42 C ATOM 1048 CD1 ILE A 136 34.249 45.720 31.110 1.00 23.54 C ATOM 0 H ILE A 136 32.602 41.945 31.952 1.00 5.95 H new ATOM 0 HA ILE A 136 30.476 43.380 32.001 1.00 4.88 H new ATOM 0 HB ILE A 136 32.711 43.370 30.266 1.00 10.81 H new ATOM 0 HG12 ILE A 136 32.460 45.397 32.305 1.00 21.61 H new ATOM 0 HG13 ILE A 136 33.435 44.185 32.420 1.00 21.61 H new ATOM 0 HG21 ILE A 136 32.208 45.551 29.473 1.00 16.42 H new ATOM 0 HG22 ILE A 136 31.117 44.477 29.066 1.00 16.42 H new ATOM 0 HG23 ILE A 136 30.843 45.468 30.270 1.00 16.42 H new ATOM 0 HD11 ILE A 136 34.740 46.182 31.808 1.00 23.54 H new ATOM 0 HD12 ILE A 136 34.853 45.140 30.620 1.00 23.54 H new ATOM 0 HD13 ILE A 136 33.862 46.370 30.503 1.00 23.54 H new ATOM 1049 N ALA A 137 30.739 41.319 29.569 1.00 10.26 N ATOM 1050 CA ALA A 137 29.906 40.624 28.444 1.00 10.84 C ATOM 1051 C ALA A 137 28.605 39.758 28.964 1.00 14.48 C ATOM 1052 O ALA A 137 27.515 39.675 28.319 1.00 12.30 O ATOM 1053 CB ALA A 137 30.752 39.734 27.584 1.00 7.49 C ATOM 0 H ALA A 137 31.557 41.061 29.630 1.00 10.26 H new ATOM 0 HA ALA A 137 29.565 41.373 27.931 1.00 10.84 H new ATOM 0 HB1 ALA A 137 30.199 39.323 26.901 1.00 7.49 H new ATOM 0 HB2 ALA A 137 31.450 40.259 27.162 1.00 7.49 H new ATOM 0 HB3 ALA A 137 31.155 39.043 28.132 1.00 7.49 H new ATOM 1054 N TYR A 138 28.732 39.053 30.075 1.00 9.36 N ATOM 1055 CA TYR A 138 27.555 38.231 30.706 1.00 5.61 C ATOM 1056 C TYR A 138 26.582 39.150 31.217 1.00 11.69 C ATOM 1057 O TYR A 138 25.362 38.893 30.900 1.00 16.69 O ATOM 1058 CB TYR A 138 27.957 37.459 31.938 1.00 6.80 C ATOM 1059 CG TYR A 138 26.694 36.493 32.448 1.00 13.60 C ATOM 1060 CD1 TYR A 138 25.864 36.940 33.407 1.00 11.97 C ATOM 1061 CD2 TYR A 138 26.373 35.196 31.942 1.00 10.08 C ATOM 1062 CE1 TYR A 138 24.738 36.078 33.862 1.00 8.86 C ATOM 1063 CE2 TYR A 138 25.238 34.318 32.418 1.00 7.87 C ATOM 1064 CZ TYR A 138 24.453 34.759 33.394 1.00 4.55 C ATOM 1065 OH TYR A 138 23.346 33.862 33.948 1.00 8.47 O ATOM 0 H TYR A 138 29.467 39.002 30.519 1.00 9.36 H new ATOM 0 HA TYR A 138 27.248 37.636 30.004 1.00 5.61 H new ATOM 0 HB2 TYR A 138 28.735 36.912 31.746 1.00 6.80 H new ATOM 0 HB3 TYR A 138 28.210 38.073 32.645 1.00 6.80 H new ATOM 0 HD1 TYR A 138 25.992 37.781 33.783 1.00 11.97 H new ATOM 0 HD2 TYR A 138 26.910 34.862 31.260 1.00 10.08 H new ATOM 0 HE1 TYR A 138 24.170 36.430 34.509 1.00 8.86 H new ATOM 0 HE2 TYR A 138 25.092 33.484 32.034 1.00 7.87 H new ATOM 0 HH TYR A 138 23.283 33.975 34.778 1.00 8.47 H new ATOM 1066 N ASP A 139 27.084 40.186 31.996 1.00 10.91 N ATOM 1067 CA ASP A 139 26.176 41.100 32.537 1.00 8.38 C ATOM 1068 C ASP A 139 25.420 41.753 31.435 1.00 7.12 C ATOM 1069 O ASP A 139 24.207 41.859 31.601 1.00 11.35 O ATOM 1070 CB ASP A 139 27.078 42.277 33.222 1.00 4.88 C ATOM 1071 CG ASP A 139 27.285 41.824 34.637 1.00 15.40 C ATOM 1072 OD1 ASP A 139 26.804 40.656 35.027 1.00 17.03 O ATOM 1073 OD2 ASP A 139 28.263 42.470 35.244 1.00 15.34 O ATOM 0 H ASP A 139 27.913 40.321 32.180 1.00 10.91 H new ATOM 0 HA ASP A 139 25.571 40.660 33.155 1.00 8.38 H new ATOM 0 HB2 ASP A 139 27.924 42.387 32.760 1.00 4.88 H new ATOM 0 HB3 ASP A 139 26.624 43.133 33.189 1.00 4.88 H new ATOM 1074 N GLU A 140 26.081 42.181 30.352 1.00 5.75 N ATOM 1075 CA GLU A 140 25.414 42.829 29.243 1.00 11.81 C ATOM 1076 C GLU A 140 24.391 41.840 28.483 1.00 12.96 C ATOM 1077 O GLU A 140 23.274 42.159 28.170 1.00 10.94 O ATOM 1078 CB GLU A 140 26.477 43.528 28.236 1.00 7.43 C ATOM 1079 CG GLU A 140 27.410 44.714 28.949 1.00 12.73 C ATOM 1080 CD GLU A 140 26.624 45.819 29.449 1.00 26.76 C ATOM 1081 OE1 GLU A 140 25.548 46.043 28.896 1.00 16.41 O ATOM 1082 OE2 GLU A 140 27.163 46.644 30.321 1.00 22.49 O ATOM 0 H GLU A 140 26.931 42.098 30.250 1.00 5.75 H new ATOM 0 HA GLU A 140 24.869 43.542 29.611 1.00 11.81 H new ATOM 0 HB2 GLU A 140 27.062 42.845 27.873 1.00 7.43 H new ATOM 0 HB3 GLU A 140 25.994 43.915 27.489 1.00 7.43 H new ATOM 0 HG2 GLU A 140 27.916 44.326 29.680 1.00 12.73 H new ATOM 0 HG3 GLU A 140 28.053 45.046 28.303 1.00 12.73 H new ATOM 1083 N LEU A 141 24.731 40.651 28.259 1.00 8.03 N ATOM 1084 CA LEU A 141 23.763 39.600 27.625 1.00 5.42 C ATOM 1085 C LEU A 141 22.556 39.172 28.570 1.00 12.48 C ATOM 1086 O LEU A 141 21.360 38.965 28.132 1.00 14.61 O ATOM 1087 CB LEU A 141 24.477 38.371 27.243 1.00 8.23 C ATOM 1088 CG LEU A 141 23.535 37.223 26.470 1.00 7.25 C ATOM 1089 CD1 LEU A 141 22.970 37.762 25.168 1.00 7.68 C ATOM 1090 CD2 LEU A 141 24.339 36.110 26.064 1.00 4.91 C ATOM 0 H LEU A 141 25.513 40.341 28.439 1.00 8.03 H new ATOM 0 HA LEU A 141 23.400 40.053 26.848 1.00 5.42 H new ATOM 0 HB2 LEU A 141 25.216 38.609 26.662 1.00 8.23 H new ATOM 0 HB3 LEU A 141 24.860 37.973 28.041 1.00 8.23 H new ATOM 0 HG LEU A 141 22.838 36.979 27.099 1.00 7.25 H new ATOM 0 HD11 LEU A 141 22.430 37.078 24.742 1.00 7.68 H new ATOM 0 HD12 LEU A 141 22.421 38.540 25.351 1.00 7.68 H new ATOM 0 HD13 LEU A 141 23.698 38.012 24.578 1.00 7.68 H new ATOM 0 HD21 LEU A 141 23.781 35.453 25.618 1.00 4.91 H new ATOM 0 HD22 LEU A 141 25.029 36.415 25.455 1.00 4.91 H new ATOM 0 HD23 LEU A 141 24.752 35.707 26.844 1.00 4.91 H new ATOM 1091 N ALA A 142 22.812 39.128 29.868 1.00 11.23 N ATOM 1092 CA ALA A 142 21.714 38.655 30.815 1.00 8.67 C ATOM 1093 C ALA A 142 20.743 39.699 30.909 1.00 12.65 C ATOM 1094 O ALA A 142 19.498 39.329 31.040 1.00 14.60 O ATOM 1095 CB ALA A 142 22.285 38.457 32.229 1.00 5.44 C ATOM 0 H ALA A 142 23.557 39.346 30.238 1.00 11.23 H new ATOM 0 HA ALA A 142 21.339 37.824 30.483 1.00 8.67 H new ATOM 0 HB1 ALA A 142 21.580 38.156 32.824 1.00 5.44 H new ATOM 0 HB2 ALA A 142 22.991 37.792 32.203 1.00 5.44 H new ATOM 0 HB3 ALA A 142 22.645 39.297 32.554 1.00 5.44 H new ATOM 1096 N ILE A 143 21.269 40.981 30.809 1.00 11.67 N ATOM 1097 CA ILE A 143 20.369 42.041 30.855 1.00 10.16 C ATOM 1098 C ILE A 143 19.344 41.839 29.711 1.00 12.43 C ATOM 1099 O ILE A 143 18.143 42.001 29.929 1.00 12.19 O ATOM 1100 CB ILE A 143 21.268 43.459 30.723 1.00 6.58 C ATOM 1101 CG1 ILE A 143 22.041 43.823 32.004 1.00 11.59 C ATOM 1102 CG2 ILE A 143 20.476 44.622 30.436 1.00 16.46 C ATOM 1103 CD1 ILE A 143 22.998 45.189 31.769 1.00 17.45 C ATOM 0 H ILE A 143 22.100 41.185 30.721 1.00 11.67 H new ATOM 0 HA ILE A 143 19.864 42.090 31.682 1.00 10.16 H new ATOM 0 HB ILE A 143 21.869 43.249 29.991 1.00 6.58 H new ATOM 0 HG12 ILE A 143 21.416 43.984 32.728 1.00 11.59 H new ATOM 0 HG13 ILE A 143 22.599 43.076 32.272 1.00 11.59 H new ATOM 0 HG21 ILE A 143 21.053 45.399 30.374 1.00 16.46 H new ATOM 0 HG22 ILE A 143 20.010 44.497 29.594 1.00 16.46 H new ATOM 0 HG23 ILE A 143 19.829 44.756 31.146 1.00 16.46 H new ATOM 0 HD11 ILE A 143 23.473 45.396 32.589 1.00 17.45 H new ATOM 0 HD12 ILE A 143 23.637 45.018 31.060 1.00 17.45 H new ATOM 0 HD13 ILE A 143 22.436 45.940 31.523 1.00 17.45 H new ATOM 1104 N VAL A 144 19.813 41.484 28.541 1.00 13.95 N ATOM 1105 CA VAL A 144 18.996 41.247 27.318 1.00 18.33 C ATOM 1106 C VAL A 144 17.941 39.976 27.464 1.00 18.94 C ATOM 1107 O VAL A 144 16.719 40.020 27.256 1.00 18.86 O ATOM 1108 CB VAL A 144 19.878 41.111 26.034 1.00 17.22 C ATOM 1109 CG1 VAL A 144 18.941 40.725 24.802 1.00 20.58 C ATOM 1110 CG2 VAL A 144 20.808 42.451 25.715 1.00 18.02 C ATOM 0 H VAL A 144 20.653 41.362 28.405 1.00 13.95 H new ATOM 0 HA VAL A 144 18.450 42.043 27.217 1.00 18.33 H new ATOM 0 HB VAL A 144 20.522 40.402 26.190 1.00 17.22 H new ATOM 0 HG11 VAL A 144 19.480 40.638 24.000 1.00 20.58 H new ATOM 0 HG12 VAL A 144 18.496 39.883 24.985 1.00 20.58 H new ATOM 0 HG13 VAL A 144 18.276 41.419 24.671 1.00 20.58 H new ATOM 0 HG21 VAL A 144 21.327 42.300 24.910 1.00 18.02 H new ATOM 0 HG22 VAL A 144 20.233 43.222 25.589 1.00 18.02 H new ATOM 0 HG23 VAL A 144 21.407 42.614 26.460 1.00 18.02 H new ATOM 1111 N ILE A 145 18.364 38.888 27.891 1.00 17.37 N ATOM 1112 CA ILE A 145 17.358 37.658 28.061 1.00 15.39 C ATOM 1113 C ILE A 145 16.313 37.826 29.150 1.00 22.89 C ATOM 1114 O ILE A 145 15.087 37.398 28.943 1.00 21.76 O ATOM 1115 CB ILE A 145 18.119 36.458 28.390 1.00 20.87 C ATOM 1116 CG1 ILE A 145 18.885 36.111 27.109 1.00 13.72 C ATOM 1117 CG2 ILE A 145 17.118 35.217 28.880 1.00 13.19 C ATOM 1118 CD1 ILE A 145 19.796 35.041 27.427 1.00 16.26 C ATOM 0 H ILE A 145 19.180 38.729 28.112 1.00 17.37 H new ATOM 0 HA ILE A 145 16.889 37.600 27.214 1.00 15.39 H new ATOM 0 HB ILE A 145 18.723 36.601 29.135 1.00 20.87 H new ATOM 0 HG12 ILE A 145 18.272 35.840 26.407 1.00 13.72 H new ATOM 0 HG13 ILE A 145 19.369 36.885 26.780 1.00 13.72 H new ATOM 0 HG21 ILE A 145 17.651 34.435 29.091 1.00 13.19 H new ATOM 0 HG22 ILE A 145 16.623 35.492 29.667 1.00 13.19 H new ATOM 0 HG23 ILE A 145 16.497 35.001 28.167 1.00 13.19 H new ATOM 0 HD11 ILE A 145 20.298 34.797 26.634 1.00 16.26 H new ATOM 0 HD12 ILE A 145 20.409 35.333 28.120 1.00 16.26 H new ATOM 0 HD13 ILE A 145 19.295 34.272 27.741 1.00 16.26 H new ATOM 1119 N LYS A 146 16.751 38.443 30.270 1.00 13.76 N ATOM 1120 CA LYS A 146 15.819 38.704 31.342 1.00 14.72 C ATOM 1121 C LYS A 146 14.824 39.587 30.840 1.00 19.15 C ATOM 1122 O LYS A 146 13.670 39.444 31.347 1.00 23.25 O ATOM 1123 CB LYS A 146 16.604 39.371 32.582 1.00 17.02 C ATOM 1124 CG LYS A 146 17.128 38.266 33.409 1.00 18.94 C ATOM 1125 CD LYS A 146 18.415 38.717 34.181 1.00 18.50 C ATOM 1126 CE LYS A 146 18.354 39.985 34.954 1.00 26.25 C ATOM 1127 NZ LYS A 146 19.667 40.321 35.664 1.00 32.01 N ATOM 0 H LYS A 146 17.559 38.703 30.409 1.00 13.76 H new ATOM 0 HA LYS A 146 15.404 37.885 31.655 1.00 14.72 H new ATOM 0 HB2 LYS A 146 17.327 39.935 32.266 1.00 17.02 H new ATOM 0 HB3 LYS A 146 16.009 39.935 33.101 1.00 17.02 H new ATOM 0 HG2 LYS A 146 16.450 37.978 34.040 1.00 18.94 H new ATOM 0 HG3 LYS A 146 17.333 37.503 32.846 1.00 18.94 H new ATOM 0 HD2 LYS A 146 18.659 38.006 34.794 1.00 18.50 H new ATOM 0 HD3 LYS A 146 19.136 38.795 33.537 1.00 18.50 H new ATOM 0 HE2 LYS A 146 18.122 40.712 34.355 1.00 26.25 H new ATOM 0 HE3 LYS A 146 17.644 39.922 35.612 1.00 26.25 H new ATOM 0 HZ1 LYS A 146 19.615 41.138 36.013 1.00 32.01 H new ATOM 0 HZ2 LYS A 146 19.813 39.730 36.314 1.00 32.01 H new ATOM 0 HZ3 LYS A 146 20.337 40.290 35.079 1.00 32.01 H new ATOM 1128 N LYS A 147 15.253 40.505 29.960 1.00 16.40 N ATOM 1129 CA LYS A 147 14.326 41.371 29.458 1.00 18.25 C ATOM 1130 C LYS A 147 13.265 40.526 28.589 1.00 17.62 C ATOM 1131 O LYS A 147 12.052 40.702 28.597 1.00 22.68 O ATOM 1132 CB LYS A 147 15.117 42.552 28.632 1.00 24.78 C ATOM 1133 CG LYS A 147 14.249 43.613 28.169 1.00 37.30 C ATOM 1134 CD LYS A 147 15.009 44.674 27.209 0.00 0.00 C ATOM 1135 CE LYS A 147 15.365 44.038 25.879 0.00 0.00 C ATOM 1136 NZ LYS A 147 15.946 45.097 24.935 0.00 0.00 N ATOM 0 H LYS A 147 16.060 40.602 29.679 1.00 16.40 H new ATOM 0 HA LYS A 147 13.813 41.822 30.147 1.00 18.25 H new ATOM 0 HB2 LYS A 147 15.804 42.931 29.202 1.00 24.78 H new ATOM 0 HB3 LYS A 147 15.568 42.157 27.870 1.00 24.78 H new ATOM 0 HG2 LYS A 147 13.501 43.226 27.688 1.00 37.30 H new ATOM 0 HG3 LYS A 147 13.882 44.082 28.935 1.00 37.30 H new ATOM 0 HD2 LYS A 147 14.442 45.447 27.061 0.00 0.00 H new ATOM 0 HD3 LYS A 147 15.814 44.993 27.646 0.00 0.00 H new ATOM 0 HE2 LYS A 147 16.009 43.325 26.014 0.00 0.00 H new ATOM 0 HE3 LYS A 147 14.576 43.636 25.482 0.00 0.00 H new ATOM 0 HZ1 LYS A 147 16.153 44.719 24.156 0.00 0.00 H new ATOM 0 HZ2 LYS A 147 15.344 45.739 24.802 0.00 0.00 H new ATOM 0 HZ3 LYS A 147 16.679 45.449 25.298 0.00 0.00 H new ATOM 1137 N GLU A 148 13.686 39.633 27.846 1.00 14.41 N ATOM 1138 CA GLU A 148 12.709 38.845 26.959 1.00 13.25 C ATOM 1139 C GLU A 148 11.791 37.759 27.742 1.00 23.26 C ATOM 1140 O GLU A 148 10.659 37.249 27.280 1.00 24.22 O ATOM 1141 CB GLU A 148 13.496 38.127 25.923 1.00 12.53 C ATOM 1142 CG GLU A 148 14.409 39.112 24.995 1.00 23.05 C ATOM 1143 CD GLU A 148 13.566 40.105 24.381 1.00 32.77 C ATOM 1144 OE1 GLU A 148 12.514 39.666 23.742 1.00 35.36 O ATOM 1145 OE2 GLU A 148 14.011 41.352 24.315 1.00 37.57 O ATOM 0 H GLU A 148 14.511 39.402 27.776 1.00 14.41 H new ATOM 0 HA GLU A 148 12.096 39.499 26.589 1.00 13.25 H new ATOM 0 HB2 GLU A 148 14.072 37.479 26.357 1.00 12.53 H new ATOM 0 HB3 GLU A 148 12.889 37.630 25.353 1.00 12.53 H new ATOM 0 HG2 GLU A 148 15.091 39.541 25.535 1.00 23.05 H new ATOM 0 HG3 GLU A 148 14.869 38.597 24.314 1.00 23.05 H new ATOM 1146 N MET A 149 12.254 37.386 28.885 1.00 20.73 N ATOM 1147 CA MET A 149 11.408 36.407 29.732 1.00 19.39 C ATOM 1148 C MET A 149 10.282 37.093 30.322 1.00 19.85 C ATOM 1149 O MET A 149 9.085 36.481 30.367 1.00 23.20 O ATOM 1150 CB MET A 149 12.260 36.006 30.909 1.00 16.28 C ATOM 1151 CG MET A 149 13.181 34.991 30.446 1.00 14.52 C ATOM 1152 SD MET A 149 14.352 34.622 31.729 1.00 18.66 S ATOM 1153 CE MET A 149 13.154 34.021 33.023 1.00 16.12 C ATOM 0 H MET A 149 13.002 37.634 29.229 1.00 20.73 H new ATOM 0 HA MET A 149 11.117 35.671 29.171 1.00 19.39 H new ATOM 0 HB2 MET A 149 12.742 36.771 31.259 1.00 16.28 H new ATOM 0 HB3 MET A 149 11.708 35.664 31.630 1.00 16.28 H new ATOM 0 HG2 MET A 149 12.695 34.189 30.198 1.00 14.52 H new ATOM 0 HG3 MET A 149 13.644 35.299 29.651 1.00 14.52 H new ATOM 0 HE1 MET A 149 13.607 33.409 33.624 1.00 16.12 H new ATOM 0 HE2 MET A 149 12.815 34.777 33.527 1.00 16.12 H new ATOM 0 HE3 MET A 149 12.415 33.563 32.592 1.00 16.12 H new ATOM 1154 N ASP A 150 10.668 38.304 30.780 1.00 36.20 N ATOM 1155 CA ASP A 150 9.656 39.039 31.356 1.00 45.86 C ATOM 1156 C ASP A 150 8.572 39.276 30.348 1.00 46.53 C ATOM 1157 O ASP A 150 7.331 39.191 30.655 1.00 44.44 O ATOM 1158 CB ASP A 150 10.346 40.388 31.942 1.00 44.97 C ATOM 1159 CG ASP A 150 10.972 40.074 33.274 1.00 47.04 C ATOM 1160 OD1 ASP A 150 11.404 38.969 33.418 0.00 0.00 O ATOM 1161 OD2 ASP A 150 10.643 40.670 34.298 0.00 0.00 O ATOM 0 H ASP A 150 11.454 38.653 30.751 1.00 36.20 H new ATOM 0 HA ASP A 150 9.217 38.582 32.090 1.00 45.86 H new ATOM 0 HB2 ASP A 150 11.018 40.717 31.324 1.00 44.97 H new ATOM 0 HB3 ASP A 150 9.683 41.089 32.040 1.00 44.97 H new ATOM 1162 N ASP A 151 9.036 39.457 29.141 1.00 43.85 N ATOM 1163 CA ASP A 151 8.088 39.581 28.064 1.00 45.14 C ATOM 1164 C ASP A 151 7.341 38.219 27.577 1.00 50.09 C ATOM 1165 O ASP A 151 6.215 38.149 26.995 1.00 50.18 O ATOM 1166 CB ASP A 151 8.832 40.420 26.924 1.00 48.34 C ATOM 1167 CG ASP A 151 9.128 41.918 27.340 1.00 40.61 C ATOM 1168 OD1 ASP A 151 9.769 42.238 28.403 0.00 0.00 O ATOM 1169 OD2 ASP A 151 8.372 42.706 26.898 0.00 0.00 O ATOM 0 H ASP A 151 9.866 39.510 28.923 1.00 43.85 H new ATOM 0 HA ASP A 151 7.300 40.053 28.377 1.00 45.14 H new ATOM 0 HB2 ASP A 151 9.668 39.981 26.702 1.00 48.34 H new ATOM 0 HB3 ASP A 151 8.288 40.416 26.121 1.00 48.34 H new ATOM 1170 N ALA A 152 7.876 37.135 27.863 1.00 46.91 N ATOM 1171 CA ALA A 152 7.166 35.811 27.445 1.00 44.33 C ATOM 1172 C ALA A 152 6.094 35.298 28.471 1.00 49.43 C ATOM 1173 O ALA A 152 5.342 34.194 28.249 1.00 49.41 O ATOM 1174 CB ALA A 152 8.117 34.757 27.345 1.00 41.79 C ATOM 0 H ALA A 152 8.622 37.043 28.281 1.00 46.91 H new ATOM 0 HA ALA A 152 6.731 36.026 26.605 1.00 44.33 H new ATOM 0 HB1 ALA A 152 7.667 33.938 27.085 1.00 41.79 H new ATOM 0 HB2 ALA A 152 8.784 34.985 26.678 1.00 41.79 H new ATOM 0 HB3 ALA A 152 8.550 34.629 28.204 1.00 41.79 H new ATOM 1175 N ALA A 153 6.128 36.025 29.593 1.00 46.44 N ATOM 1176 CA ALA A 153 5.283 35.557 30.766 1.00 49.28 C ATOM 1177 C ALA A 153 3.930 36.100 30.820 1.00 45.11 C ATOM 1178 O ALA A 153 3.835 37.163 31.461 0.00 0.00 O ATOM 1179 CB ALA A 153 6.081 36.003 32.054 1.00 46.41 C ATOM 1180 OXT ALA A 153 2.926 35.515 30.177 0.00 0.00 O ATOM 0 H ALA A 153 6.588 36.741 29.717 1.00 46.44 H new ATOM 0 HA ALA A 153 5.150 34.600 30.686 1.00 49.28 H new ATOM 0 HB1 ALA A 153 5.593 35.733 32.847 1.00 46.41 H new ATOM 0 HB2 ALA A 153 6.956 35.583 32.055 1.00 46.41 H new ATOM 0 HB3 ALA A 153 6.186 36.967 32.052 1.00 46.41 H new TER 1181 ALA A 153 HETATM 1182 C ACT A 154 21.027 27.228 30.887 1.00 19.58 C HETATM 1183 O ACT A 154 20.269 27.481 29.951 1.00 16.60 O HETATM 1184 OXT ACT A 154 21.397 26.096 30.879 1.00 23.45 O HETATM 1185 CH3 ACT A 154 22.021 28.351 31.536 1.00 20.07 C HETATM 0 H3 ACT A 154 22.627 28.680 30.854 1.00 20.07 H new HETATM 0 H2 ACT A 154 21.494 29.088 31.882 1.00 20.07 H new HETATM 0 H1 ACT A 154 22.532 27.953 32.258 1.00 20.07 H new HETATM 1186 FE HEM A 155 18.731 28.610 29.772 1.00 13.38 FE HETATM 1187 CHA HEM A 155 16.862 26.136 27.758 1.00 9.18 C HETATM 1188 CHB HEM A 155 20.493 29.932 26.898 1.00 13.16 C HETATM 1189 CHC HEM A 155 20.216 31.340 31.541 1.00 8.79 C HETATM 1190 CHD HEM A 155 17.247 27.133 32.506 1.00 11.48 C HETATM 1191 NA HEM A 155 18.697 28.089 27.752 1.00 14.66 N HETATM 1192 C1A HEM A 155 17.805 27.080 27.132 1.00 7.86 C HETATM 1193 C2A HEM A 155 18.096 27.113 25.707 1.00 12.48 C HETATM 1194 C3A HEM A 155 19.159 28.100 25.474 1.00 10.78 C HETATM 1195 C4A HEM A 155 19.512 28.768 26.755 1.00 18.64 C HETATM 1196 CMA HEM A 155 19.896 28.533 24.145 1.00 12.85 C HETATM 1197 CAA HEM A 155 17.382 26.077 24.704 1.00 19.57 C HETATM 1198 CBA HEM A 155 18.440 25.156 24.260 1.00 39.88 C HETATM 1199 CGA HEM A 155 17.793 24.025 23.339 0.00 0.00 C HETATM 1200 O1A HEM A 155 16.875 24.230 22.541 0.00 0.00 O HETATM 1201 O2A HEM A 155 18.419 23.050 23.120 0.00 0.00 O HETATM 1202 NB HEM A 155 20.157 30.326 29.292 1.00 9.41 N HETATM 1203 C1B HEM A 155 20.762 30.659 28.080 1.00 12.32 C HETATM 1204 C2B HEM A 155 21.720 31.881 28.228 1.00 14.10 C HETATM 1205 C3B HEM A 155 21.618 32.321 29.518 1.00 14.07 C HETATM 1206 C4B HEM A 155 20.604 31.326 30.185 1.00 7.69 C HETATM 1207 CMB HEM A 155 22.692 32.463 27.109 1.00 8.32 C HETATM 1208 CAB HEM A 155 22.457 33.566 30.202 1.00 11.23 C HETATM 1209 CBB HEM A 155 23.034 34.663 29.508 1.00 7.79 C HETATM 1210 NC HEM A 155 18.736 29.122 31.667 1.00 7.79 N HETATM 1211 C1C HEM A 155 19.385 30.339 32.227 1.00 9.47 C HETATM 1212 C2C HEM A 155 19.136 30.317 33.663 1.00 13.33 C HETATM 1213 C3C HEM A 155 18.377 29.094 33.937 1.00 12.01 C HETATM 1214 C4C HEM A 155 18.082 28.366 32.674 1.00 10.73 C HETATM 1215 CMC HEM A 155 19.675 31.436 34.683 1.00 6.96 C HETATM 1216 CAC HEM A 155 17.909 28.572 35.323 1.00 10.66 C HETATM 1217 CBC HEM A 155 18.492 27.632 35.929 1.00 9.96 C HETATM 1218 ND HEM A 155 17.234 27.007 30.052 1.00 16.35 N HETATM 1219 C1D HEM A 155 16.817 26.520 31.311 1.00 15.12 C HETATM 1220 C2D HEM A 155 15.844 25.257 31.167 1.00 13.15 C HETATM 1221 C3D HEM A 155 15.762 24.987 29.835 1.00 11.31 C HETATM 1222 C4D HEM A 155 16.618 26.077 29.126 1.00 15.06 C HETATM 1223 CMD HEM A 155 15.157 24.402 32.339 1.00 8.26 C HETATM 1224 CAD HEM A 155 14.931 23.761 29.142 1.00 16.69 C HETATM 1225 CBD HEM A 155 15.766 22.613 29.119 1.00 16.29 C HETATM 1226 CGD HEM A 155 14.801 21.325 28.833 1.00 35.39 C HETATM 1227 O1D HEM A 155 14.084 20.792 29.787 1.00 35.47 O HETATM 1228 O2D HEM A 155 15.115 20.586 27.908 1.00 36.88 O HETATM 0 HMA1 HEM A 155 20.149 29.468 24.205 1.00 12.85 H new HETATM 0 HMA2 HEM A 155 19.301 28.407 23.389 1.00 12.85 H new HETATM 0 HMA3 HEM A 155 20.691 27.991 24.024 1.00 12.85 H new HETATM 0 HMB1 HEM A 155 22.975 31.745 26.521 1.00 8.32 H new HETATM 0 HMB2 HEM A 155 23.470 32.860 27.531 1.00 8.32 H new HETATM 0 HMB3 HEM A 155 22.224 33.138 26.593 1.00 8.32 H new HETATM 0 HMC1 HEM A 155 20.508 31.804 34.349 1.00 6.96 H new HETATM 0 HMC2 HEM A 155 19.825 31.035 35.553 1.00 6.96 H new HETATM 0 HMC3 HEM A 155 19.018 32.145 34.763 1.00 6.96 H new HETATM 0 HMD1 HEM A 155 15.726 24.413 33.124 1.00 8.26 H new HETATM 0 HMD2 HEM A 155 15.034 23.487 32.043 1.00 8.26 H new HETATM 0 HMD3 HEM A 155 14.295 24.789 32.559 1.00 8.26 H new HETATM 0 HBB1 HEM A 155 23.511 35.350 29.999 1.00 7.79 H new HETATM 0 HBB2 HEM A 155 22.951 34.725 28.544 1.00 7.79 H new HETATM 0 HBC1 HEM A 155 18.166 27.337 36.794 1.00 9.96 H new HETATM 0 HBC2 HEM A 155 19.266 27.204 35.530 1.00 9.96 H new HETATM 0 HBA1 HEM A 155 18.877 24.754 25.027 1.00 39.88 H new HETATM 0 HBA2 HEM A 155 19.121 25.641 23.767 1.00 39.88 H new HETATM 0 HAA1 HEM A 155 16.985 26.540 23.950 1.00 19.57 H new HETATM 0 HAA2 HEM A 155 16.667 25.597 25.151 1.00 19.57 H new HETATM 0 HBD1 HEM A 155 16.233 22.511 29.963 1.00 16.29 H new HETATM 0 HBD2 HEM A 155 16.443 22.695 28.429 1.00 16.29 H new HETATM 0 HAD1 HEM A 155 14.662 24.001 28.241 1.00 16.69 H new HETATM 0 HAD2 HEM A 155 14.119 23.578 29.641 1.00 16.69 H new HETATM 0 HHA HEM A 155 16.403 25.545 27.206 1.00 9.18 H new HETATM 0 HHB HEM A 155 20.958 30.186 26.134 1.00 13.16 H new HETATM 0 HHC HEM A 155 20.516 32.055 32.054 1.00 8.79 H new HETATM 0 HHD HEM A 155 16.977 26.718 33.293 1.00 11.48 H new HETATM 0 HAB HEM A 155 22.566 33.547 31.166 1.00 11.23 H new HETATM 0 HAC HEM A 155 17.137 28.986 35.739 1.00 10.66 H new HETATM 1229 O HOH A 156 25.928 15.173 29.231 1.00 10.23 O HETATM 1230 O HOH A 157 28.303 16.906 28.795 1.00 13.33 O HETATM 1231 O HOH A 158 23.447 45.005 27.437 1.00 13.27 O HETATM 1232 O HOH A 159 47.209 35.516 36.743 1.00 22.19 O HETATM 1233 O HOH A 160 24.953 36.743 21.915 1.00 21.79 O HETATM 1234 O HOH A 161 26.946 36.599 40.275 1.00 24.05 O HETATM 1235 O HOH A 162 26.442 19.402 41.851 1.00 29.25 O HETATM 1236 O HOH A 163 31.851 50.593 15.047 1.00 25.84 O HETATM 1237 O HOH A 164 29.401 39.007 17.660 1.00 21.98 O HETATM 1238 O HOH A 165 27.833 52.042 19.792 1.00 10.31 O HETATM 1239 O HOH A 166 19.331 45.457 20.203 1.00 23.52 O HETATM 1240 O HOH A 167 21.441 47.851 20.781 1.00 21.30 O HETATM 1241 O HOH A 168 21.940 47.091 23.455 1.00 24.55 O HETATM 1242 O HOH A 169 24.389 46.816 25.187 1.00 22.73 O HETATM 1243 O HOH A 170 21.655 48.393 29.302 1.00 23.64 O HETATM 1244 O HOH A 171 24.580 48.280 29.862 1.00 13.22 O HETATM 1245 O HOH A 172 25.813 48.071 32.245 1.00 17.32 O HETATM 1246 O HOH A 173 15.875 30.563 20.542 1.00 42.42 O HETATM 1247 O HOH A 174 34.190 20.110 21.962 1.00 29.97 O HETATM 1248 O HOH A 175 19.079 19.798 23.870 1.00 44.02 O HETATM 1249 O HOH A 176 30.637 38.742 40.178 1.00 26.12 O HETATM 1250 O HOH A 177 33.040 39.962 38.393 1.00 21.05 O HETATM 1251 O HOH A 178 42.522 26.283 36.134 1.00 44.72 O HETATM 1252 O HOH A 179 29.595 51.470 24.844 1.00 9.99 O HETATM 1253 O HOH A 180 23.386 39.623 17.567 1.00 31.10 O HETATM 1254 O HOH A 181 29.799 25.847 20.386 1.00 46.40 O HETATM 1255 O HOH A 182 40.897 45.422 34.785 1.00 43.60 O HETATM 1256 O HOH A 183 13.587 35.775 40.687 1.00 26.11 O HETATM 1257 O HOH A 184 22.988 41.544 34.258 1.00 25.06 O HETATM 1258 O HOH A 185 13.365 23.783 41.403 1.00 42.86 O HETATM 1259 O HOH A 186 17.295 43.070 32.180 1.00 32.40 O HETATM 1260 O HOH A 187 25.694 38.792 39.647 1.00 39.82 O HETATM 1261 O HOH A 188 17.379 21.747 25.770 1.00 38.77 O HETATM 1262 O HOH A 189 21.354 46.666 27.245 1.00 39.55 O HETATM 1263 O HOH A 190 29.621 44.591 34.053 1.00 36.34 O HETATM 1264 O HOH A 191 38.405 42.003 37.540 1.00 37.72 O HETATM 1265 O HOH A 192 44.204 37.840 30.736 1.00 35.88 O HETATM 1266 O HOH A 193 47.234 27.969 33.379 1.00 44.93 O HETATM 1267 O HOH A 194 38.087 48.900 20.909 1.00 42.55 O HETATM 1268 O HOH A 195 25.015 39.426 21.103 1.00 44.51 O HETATM 1269 O HOH A 196 25.443 23.474 20.628 1.00 41.83 O HETATM 1270 O HOH A 197 32.037 48.673 24.993 1.00 35.91 O HETATM 1271 O HOH A 198 21.749 9.911 34.631 1.00 34.09 O HETATM 1272 O HOH A 199 20.120 9.728 31.595 1.00 37.57 O HETATM 1273 O HOH A 200 18.434 11.947 31.039 1.00 40.71 O HETATM 1274 O HOH A 201 35.729 15.579 25.994 1.00 37.97 O HETATM 1275 O HOH A 202 39.921 23.904 26.625 1.00 37.88 O HETATM 1276 O HOH A 203 42.618 32.339 26.383 1.00 37.62 O HETATM 1277 O HOH A 204 42.125 34.859 19.209 1.00 38.65 O HETATM 1278 O HOH A 205 42.137 37.646 20.226 1.00 42.67 O HETATM 1279 O HOH A 206 42.595 30.900 22.317 1.00 35.23 O HETATM 1280 O HOH A 207 17.330 12.192 43.157 1.00 49.73 O HETATM 1281 O HOH A 208 27.207 38.725 16.124 1.00 40.66 O HETATM 1282 O HOH A 209 29.321 14.856 21.984 1.00 42.53 O HETATM 1283 O HOH A 210 23.456 37.876 37.469 1.00 38.92 O HETATM 1284 O HOH A 211 20.768 38.721 37.843 1.00 38.84 O HETATM 1285 O HOH A 212 11.775 35.804 37.189 1.00 40.17 O HETATM 1286 O HOH A 213 11.631 27.560 41.691 1.00 43.98 O HETATM 1287 O HOH A 214 10.500 26.106 39.107 1.00 45.24 O HETATM 1288 O HOH A 215 20.148 18.432 42.924 1.00 41.67 O HETATM 1289 O HOH A 216 24.292 39.390 35.398 1.00 34.27 O HETATM 1290 O HOH A 217 37.014 35.021 35.167 1.00 38.55 O HETATM 1291 O HOH A 218 29.148 46.438 32.155 1.00 36.86 O HETATM 1292 O HOH A 219 35.960 17.577 22.699 1.00 40.15 O HETATM 1293 O HOH A 220 37.577 26.177 19.367 1.00 41.17 O HETATM 1294 O HOH A 221 46.500 37.273 29.854 1.00 42.32 O HETATM 1295 O HOH A 222 20.404 15.262 37.262 1.00 42.55 O HETATM 1296 O HOH A 223 45.585 42.369 24.508 1.00 43.47 O HETATM 1297 O HOH A 224 43.906 49.756 24.079 1.00 46.05 O CONECT 746 1186 CONECT 1182 1183 1184 1185 CONECT 1183 1182 1186 CONECT 1184 1182 CONECT 1185 1182 CONECT 1186 746 1183 1191 1202 CONECT 1186 1210 1218 CONECT 1187 1192 1222 CONECT 1188 1195 1203 CONECT 1189 1206 1211 CONECT 1190 1214 1219 CONECT 1191 1186 1192 1195 CONECT 1192 1187 1191 1193 CONECT 1193 1192 1194 1197 CONECT 1194 1193 1195 1196 CONECT 1195 1188 1191 1194 CONECT 1196 1194 CONECT 1197 1193 1198 CONECT 1198 1197 1199 CONECT 1199 1198 1200 1201 CONECT 1200 1199 CONECT 1201 1199 CONECT 1202 1186 1203 1206 CONECT 1203 1188 1202 1204 CONECT 1204 1203 1205 1207 CONECT 1205 1204 1206 1208 CONECT 1206 1189 1202 1205 CONECT 1207 1204 CONECT 1208 1205 1209 CONECT 1209 1208 CONECT 1210 1186 1211 1214 CONECT 1211 1189 1210 1212 CONECT 1212 1211 1213 1215 CONECT 1213 1212 1214 1216 CONECT 1214 1190 1210 1213 CONECT 1215 1212 CONECT 1216 1213 1217 CONECT 1217 1216 CONECT 1218 1186 1219 1222 CONECT 1219 1190 1218 1220 CONECT 1220 1219 1221 1223 CONECT 1221 1220 1222 1224 CONECT 1222 1187 1218 1221 CONECT 1223 1220 CONECT 1224 1221 1225 CONECT 1225 1224 1226 CONECT 1226 1225 1227 1228 CONECT 1227 1226 CONECT 1228 1226 END