USER MOD reduce.3.24.130724 H: found=0, std=0, add=1236, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER OXYGEN TRANSPORT 23-APR-82 2LH5 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 (FLUORO 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 2LH5 1 VERSN REVDAT 2 30-SEP-83 2LH5 1 REVDAT REVDAT 1 20-JAN-83 2LH5 0 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 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 : 44 REMARK 3 SOLVENT ATOMS : 67 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 2LH5 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 (%): 55.18 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.74 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 46.67000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 25.95500 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 46.67000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 25.95500 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 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 217 DISTANCE = 7.59 ANGSTROMS 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 F A 154 F REMARK 620 2 HIS A 97 NE2 176.3 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 F A 154 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 155 DBREF 2LH5 A 1 153 UNP P02240 LGB2_LUPLU 1 153 SEQADV 2LH5 GLU A 79 UNP P02240 GLN 79 CONFLICT SEQADV 2LH5 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 F A 154 1 HET HEM A 155 43 HETNAM F FLUORIDE ION HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETSYN HEM HEME FORMUL 2 F F 1- FORMUL 3 HEM C34 H32 FE N4 O4 FORMUL 4 HOH *67(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 F F A 154 FE HEM A 155 1555 1555 1.92 LINK NE2 HIS A 97 FE HEM A 155 1555 1555 2.14 SITE *** AC1 4 HIS A 63 VAL A 67 HEM A 155 HOH A 218 SITE *** AC2 13 LEU A 43 PHE A 44 SER A 45 HIS A 63 SITE *** AC2 13 LEU A 93 HIS A 97 LYS A 100 VAL A 102 SITE *** AC2 13 HIS A 106 PHE A 107 VAL A 110 TYR A 138 SITE *** AC2 13 F A 154 CRYST1 93.340 38.240 51.910 90.00 90.00 98.80 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 0.010714 0.001659 0.000000 0.00000 SCALE2 0.000000 0.026462 0.000000 0.00000 SCALE3 0.000000 0.000000 0.019264 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 97 HIS HE2 : A 97 HIS NE2 : A 155 HEMFE :(H bumps) USER MOD Set 1.1: A 7 GLN : amide:sc= 0.37 K(o=1.5,f=-5.1!) USER MOD Set 1.2: A 132 SER OG A: rot -20:sc= 1.17 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 130:sc= 0.699 USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0.37 USER MOD Single : A 1 GLY N :NH3+ -166:sc= -0.0908 (180deg=-0.209) USER MOD Single : A 13 SER OG : rot 60:sc= 0.00472 USER MOD Single : A 14 SER OG : rot -11:sc= 1.12 USER MOD Single : A 19 ASN : amide:sc= 1 K(o=1,f=-0.79) USER MOD Single : A 21 ASN : amide:sc= -3.58! K(o=-3.6!,f=-0.36) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -1.79 K(o=-1.8,f=-0.3) USER MOD Single : A 26 THR OG1 : rot -74:sc= 1.1 USER MOD Single : A 27 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.015) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -96:sc= 0.00471 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -70:sc= 1.25 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.117 K(o=-0.12,f=-2.3!) USER MOD Single : A 56 ASN : amide:sc= -0.0935 X(o=-0.093,f=-0.19) USER MOD Single : A 57 ASN : amide:sc= -1.73! C(o=-1.7!,f=-8.2!) USER MOD Single : A 61 GLN : amide:sc= -2.13! K(o=-2.1!,f=-0.1) USER MOD Single : A 63 HIS : no HD1:sc= -4.18! K(o=-4.2!,f=-0.85) 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 : amide:sc= -2.17! K(o=-2.2!,f=0.23) USER MOD Single : A 81 THR OG1 : rot -45:sc= 1.3 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0383 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= -0.359 X(o=-0.36,f=-0.025) 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= 1.08 K(o=1.1,f=-5.5!) USER MOD Single : A 111 LYS NZ :NH3+ -177:sc= 0.835 (180deg=0.73) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 72:sc= 0.743 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 149:sc= 0.164 (180deg=-0.671) USER MOD Single : A 127 SER OG : rot -40:sc= 0.139 USER MOD Single : A 131 ASN : amide:sc= 0.273 X(o=0.27,f=0.62) USER MOD Single : A 132 SER OG B: rot 72:sc= 1.26 USER MOD Single : A 132 SER OG C: rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot 88:sc= 2.02 USER MOD Single : A 138 TYR OH : rot -39:sc= 0.7 USER MOD Single : A 146 LYS NZ :NH3+ 172:sc= 0.513 (180deg=0.489) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 MET CE :methyl 154:sc= -0.312 (180deg=-1.34!) USER MOD Single : A 155 HEM CMA :methyl -30:sc= -0.522 (180deg=-2.44) USER MOD Single : A 155 HEM CMB :methyl -30:sc= -0.567 (180deg=-2.45!) USER MOD Single : A 155 HEM CMC :methyl -30:sc= -0.332 (180deg=-2.93!) USER MOD Single : A 155 HEM CMD :methyl 150:sc= -0.276 (180deg=-0.276) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 35.600 49.145 32.376 1.00 65.68 N ATOM 2 CA GLY A 1 36.694 48.751 31.548 1.00 62.71 C ATOM 3 C GLY A 1 36.516 49.014 30.059 1.00 67.50 C ATOM 4 O GLY A 1 37.537 49.222 29.311 0.00 0.00 O ATOM 0 H1 GLY A 1 35.858 49.148 33.228 1.00 65.68 H new ATOM 0 H2 GLY A 1 35.331 49.961 32.145 1.00 65.68 H new ATOM 0 H3 GLY A 1 34.927 48.571 32.272 1.00 65.68 H new ATOM 0 HA2 GLY A 1 37.491 49.214 31.850 1.00 62.71 H new ATOM 0 HA3 GLY A 1 36.852 47.803 31.677 1.00 62.71 H new ATOM 5 N ALA A 2 35.250 49.059 29.699 1.00 68.06 N ATOM 6 CA ALA A 2 34.736 49.381 28.377 1.00 59.43 C ATOM 7 C ALA A 2 34.582 48.243 27.349 1.00 43.86 C ATOM 8 O ALA A 2 33.589 48.137 26.571 1.00 55.27 O ATOM 9 CB ALA A 2 35.533 50.679 27.764 0.00 0.00 C ATOM 0 H ALA A 2 34.619 48.891 30.258 1.00 68.06 H new ATOM 0 HA ALA A 2 33.804 49.594 28.543 1.00 59.43 H new ATOM 0 HB1 ALA A 2 35.184 50.887 26.883 0.00 0.00 H new ATOM 0 HB2 ALA A 2 35.407 51.442 28.349 0.00 0.00 H new ATOM 0 HB3 ALA A 2 36.479 50.476 27.697 0.00 0.00 H new ATOM 10 N LEU A 3 35.648 47.630 27.193 1.00 55.15 N ATOM 11 CA LEU A 3 35.893 46.698 26.103 1.00 32.37 C ATOM 12 C LEU A 3 36.892 47.302 25.040 1.00 37.72 C ATOM 13 O LEU A 3 36.527 47.701 23.924 1.00 31.60 O ATOM 14 CB LEU A 3 34.679 45.716 25.563 1.00 39.93 C ATOM 15 CG LEU A 3 34.477 44.398 26.386 1.00 33.67 C ATOM 16 CD1 LEU A 3 32.977 43.843 26.619 1.00 48.17 C ATOM 17 CD2 LEU A 3 35.231 43.324 25.754 1.00 34.24 C ATOM 0 H LEU A 3 36.318 47.717 27.725 1.00 55.15 H new ATOM 0 HA LEU A 3 36.357 45.963 26.533 1.00 32.37 H new ATOM 0 HB2 LEU A 3 33.848 46.217 25.571 1.00 39.93 H new ATOM 0 HB3 LEU A 3 34.859 45.480 24.639 1.00 39.93 H new ATOM 0 HG LEU A 3 34.782 44.658 27.269 1.00 33.67 H new ATOM 0 HD11 LEU A 3 33.011 43.027 27.142 1.00 48.17 H new ATOM 0 HD12 LEU A 3 32.456 44.509 27.094 1.00 48.17 H new ATOM 0 HD13 LEU A 3 32.563 43.660 25.761 1.00 48.17 H new ATOM 0 HD21 LEU A 3 35.111 42.504 26.258 1.00 34.24 H new ATOM 0 HD22 LEU A 3 34.912 43.195 24.847 1.00 34.24 H new ATOM 0 HD23 LEU A 3 36.172 43.557 25.736 1.00 34.24 H new ATOM 18 N THR A 4 38.141 47.358 25.444 1.00 22.48 N ATOM 19 CA THR A 4 39.315 47.839 24.629 1.00 32.67 C ATOM 20 C THR A 4 39.635 46.718 23.717 1.00 17.39 C ATOM 21 O THR A 4 39.109 45.513 23.926 1.00 21.83 O ATOM 22 CB THR A 4 40.541 48.246 25.542 1.00 36.58 C ATOM 23 OG1 THR A 4 40.965 47.037 26.050 1.00 38.03 O ATOM 24 CG2 THR A 4 40.204 49.155 26.700 1.00 29.62 C ATOM 0 H THR A 4 38.371 47.111 26.235 1.00 22.48 H new ATOM 0 HA THR A 4 39.105 48.647 24.134 1.00 32.67 H new ATOM 0 HB THR A 4 41.188 48.745 25.019 1.00 36.58 H new ATOM 0 HG1 THR A 4 41.794 46.960 25.937 1.00 38.03 H new ATOM 0 HG21 THR A 4 41.010 49.352 27.202 1.00 29.62 H new ATOM 0 HG22 THR A 4 39.824 49.981 26.363 1.00 29.62 H new ATOM 0 HG23 THR A 4 39.561 48.717 27.279 1.00 29.62 H new ATOM 25 N GLU A 5 40.403 47.131 22.704 1.00 12.07 N ATOM 26 CA GLU A 5 40.780 46.201 21.705 1.00 19.08 C ATOM 27 C GLU A 5 41.540 45.145 22.328 1.00 27.92 C ATOM 28 O GLU A 5 41.335 43.945 21.914 1.00 28.52 O ATOM 29 CB GLU A 5 41.633 47.033 20.627 1.00 32.11 C ATOM 30 CG GLU A 5 41.825 46.218 19.354 1.00 48.66 C ATOM 31 CD GLU A 5 42.228 47.222 18.221 1.00 68.75 C ATOM 32 OE1 GLU A 5 41.332 47.816 17.705 1.00 54.60 O ATOM 33 OE2 GLU A 5 43.448 47.745 18.098 1.00 57.14 O ATOM 0 H GLU A 5 40.699 47.932 22.598 1.00 12.07 H new ATOM 0 HA GLU A 5 40.027 45.780 21.261 1.00 19.08 H new ATOM 0 HB2 GLU A 5 41.179 47.865 20.420 1.00 32.11 H new ATOM 0 HB3 GLU A 5 42.497 47.267 21.001 1.00 32.11 H new ATOM 0 HG2 GLU A 5 42.514 45.546 19.478 1.00 48.66 H new ATOM 0 HG3 GLU A 5 41.009 45.748 19.121 1.00 48.66 H new ATOM 34 N SER A 6 42.226 45.525 23.419 1.00 21.41 N ATOM 35 CA SER A 6 42.935 44.569 24.141 1.00 13.10 C ATOM 36 C SER A 6 42.001 43.605 25.028 1.00 14.00 C ATOM 37 O SER A 6 42.213 42.404 25.158 1.00 19.43 O ATOM 38 CB SER A 6 44.101 45.290 24.997 1.00 18.23 C ATOM 39 OG SER A 6 43.557 45.822 26.173 1.00 54.19 O ATOM 0 H SER A 6 42.270 46.328 23.723 1.00 21.41 H new ATOM 0 HA SER A 6 43.351 43.966 23.506 1.00 13.10 H new ATOM 0 HB2 SER A 6 44.799 44.652 25.212 1.00 18.23 H new ATOM 0 HB3 SER A 6 44.512 45.994 24.472 1.00 18.23 H new ATOM 0 HG SER A 6 44.163 46.196 26.618 1.00 54.19 H new ATOM 40 N GLN A 7 41.001 44.109 25.604 1.00 7.10 N ATOM 41 CA GLN A 7 40.024 43.224 26.424 1.00 10.68 C ATOM 42 C GLN A 7 39.247 42.130 25.551 1.00 15.86 C ATOM 43 O GLN A 7 39.022 40.928 25.962 1.00 16.39 O ATOM 44 CB GLN A 7 39.000 44.010 27.099 1.00 14.58 C ATOM 45 CG GLN A 7 39.591 44.775 28.352 1.00 14.12 C ATOM 46 CD GLN A 7 38.539 45.566 28.934 1.00 31.00 C ATOM 47 OE1 GLN A 7 38.135 46.469 28.233 1.00 33.49 O ATOM 48 NE2 GLN A 7 38.450 45.519 30.253 1.00 35.54 N ATOM 0 H GLN A 7 40.799 44.945 25.583 1.00 7.10 H new ATOM 0 HA GLN A 7 40.607 42.780 27.060 1.00 10.68 H new ATOM 0 HB2 GLN A 7 38.619 44.650 26.477 1.00 14.58 H new ATOM 0 HB3 GLN A 7 38.279 43.428 27.384 1.00 14.58 H new ATOM 0 HG2 GLN A 7 39.938 44.143 29.001 1.00 14.12 H new ATOM 0 HG3 GLN A 7 40.331 45.342 28.084 1.00 14.12 H new ATOM 0 HE21 GLN A 7 38.762 44.841 30.681 1.00 35.54 H new ATOM 0 HE22 GLN A 7 38.081 46.166 30.682 1.00 35.54 H new ATOM 49 N ALA A 8 38.900 42.564 24.376 1.00 15.79 N ATOM 50 CA ALA A 8 38.127 41.654 23.413 1.00 25.64 C ATOM 51 C ALA A 8 38.933 40.569 22.932 1.00 27.34 C ATOM 52 O ALA A 8 38.361 39.368 22.795 1.00 19.77 O ATOM 53 CB ALA A 8 37.694 42.453 22.212 1.00 9.27 C ATOM 0 H ALA A 8 39.072 43.351 24.075 1.00 15.79 H new ATOM 0 HA ALA A 8 37.370 41.297 23.904 1.00 25.64 H new ATOM 0 HB1 ALA A 8 37.205 41.880 21.601 1.00 9.27 H new ATOM 0 HB2 ALA A 8 37.123 43.183 22.498 1.00 9.27 H new ATOM 0 HB3 ALA A 8 38.475 42.811 21.763 1.00 9.27 H new ATOM 54 N ALA A 9 40.240 40.979 22.778 1.00 22.08 N ATOM 55 CA ALA A 9 41.149 40.046 22.336 1.00 12.25 C ATOM 56 C ALA A 9 41.262 38.964 23.382 1.00 16.13 C ATOM 57 O ALA A 9 41.361 37.775 23.033 1.00 20.29 O ATOM 58 CB ALA A 9 42.571 40.812 22.037 1.00 19.78 C ATOM 0 H ALA A 9 40.546 41.768 22.933 1.00 22.08 H new ATOM 0 HA ALA A 9 40.871 39.621 21.509 1.00 12.25 H new ATOM 0 HB1 ALA A 9 43.226 40.169 21.724 1.00 19.78 H new ATOM 0 HB2 ALA A 9 42.436 41.492 21.358 1.00 19.78 H new ATOM 0 HB3 ALA A 9 42.892 41.229 22.852 1.00 19.78 H new ATOM 59 N LEU A 10 41.174 39.377 24.624 1.00 13.71 N ATOM 60 CA LEU A 10 41.206 38.451 25.750 1.00 16.94 C ATOM 61 C LEU A 10 39.917 37.432 25.846 1.00 16.30 C ATOM 62 O LEU A 10 39.999 36.238 26.185 1.00 11.75 O ATOM 63 CB LEU A 10 41.424 39.212 27.085 1.00 16.38 C ATOM 64 CG LEU A 10 42.859 40.010 27.225 1.00 24.86 C ATOM 65 CD1 LEU A 10 43.006 40.811 28.544 1.00 24.80 C ATOM 66 CD2 LEU A 10 43.940 39.073 27.113 1.00 25.12 C ATOM 0 H LEU A 10 41.093 40.203 24.848 1.00 13.71 H new ATOM 0 HA LEU A 10 41.966 37.872 25.583 1.00 16.94 H new ATOM 0 HB2 LEU A 10 40.704 39.853 27.194 1.00 16.38 H new ATOM 0 HB3 LEU A 10 41.353 38.578 27.815 1.00 16.38 H new ATOM 0 HG LEU A 10 42.883 40.660 26.505 1.00 24.86 H new ATOM 0 HD11 LEU A 10 43.869 41.253 28.560 1.00 24.80 H new ATOM 0 HD12 LEU A 10 42.302 41.476 28.599 1.00 24.80 H new ATOM 0 HD13 LEU A 10 42.939 40.206 29.299 1.00 24.80 H new ATOM 0 HD21 LEU A 10 44.785 39.542 27.195 1.00 25.12 H new ATOM 0 HD22 LEU A 10 43.869 38.410 27.818 1.00 25.12 H new ATOM 0 HD23 LEU A 10 43.898 38.632 26.250 1.00 25.12 H new ATOM 67 N VAL A 11 38.775 37.890 25.588 1.00 20.39 N ATOM 68 CA VAL A 11 37.493 36.952 25.615 1.00 18.50 C ATOM 69 C VAL A 11 37.457 35.925 24.484 1.00 22.18 C ATOM 70 O VAL A 11 37.054 34.694 24.705 1.00 21.32 O ATOM 71 CB VAL A 11 36.254 37.705 25.534 1.00 14.12 C ATOM 72 CG1 VAL A 11 34.904 36.749 25.297 1.00 9.31 C ATOM 73 CG2 VAL A 11 36.156 38.590 26.776 1.00 9.97 C ATOM 0 H VAL A 11 38.616 38.711 25.387 1.00 20.39 H new ATOM 0 HA VAL A 11 37.566 36.494 26.467 1.00 18.50 H new ATOM 0 HB VAL A 11 36.274 38.263 24.741 1.00 14.12 H new ATOM 0 HG11 VAL A 11 34.114 37.310 25.252 1.00 9.31 H new ATOM 0 HG12 VAL A 11 34.998 36.256 24.467 1.00 9.31 H new ATOM 0 HG13 VAL A 11 34.816 36.125 26.034 1.00 9.31 H new ATOM 0 HG21 VAL A 11 35.334 39.104 26.743 1.00 9.97 H new ATOM 0 HG22 VAL A 11 36.158 38.034 27.571 1.00 9.97 H new ATOM 0 HG23 VAL A 11 36.914 39.195 26.803 1.00 9.97 H new ATOM 74 N LYS A 12 37.958 36.407 23.335 1.00 18.22 N ATOM 75 CA LYS A 12 37.939 35.531 22.163 1.00 10.53 C ATOM 76 C LYS A 12 38.827 34.438 22.330 1.00 15.49 C ATOM 77 O LYS A 12 38.383 33.230 22.039 1.00 15.08 O ATOM 78 CB LYS A 12 38.338 36.344 20.879 1.00 11.57 C ATOM 79 CG LYS A 12 38.246 35.392 19.666 1.00 19.50 C ATOM 80 CD LYS A 12 38.443 36.150 18.327 1.00 38.09 C ATOM 81 CE LYS A 12 38.413 35.144 17.160 1.00 42.92 C ATOM 82 NZ LYS A 12 37.187 34.130 17.235 0.00 0.00 N ATOM 0 H LYS A 12 38.293 37.190 23.219 1.00 18.22 H new ATOM 0 HA LYS A 12 37.039 35.183 22.061 1.00 10.53 H new ATOM 0 HB2 LYS A 12 37.746 37.103 20.760 1.00 11.57 H new ATOM 0 HB3 LYS A 12 39.237 36.697 20.966 1.00 11.57 H new ATOM 0 HG2 LYS A 12 38.918 34.698 19.747 1.00 19.50 H new ATOM 0 HG3 LYS A 12 37.382 34.951 19.665 1.00 19.50 H new ATOM 0 HD2 LYS A 12 37.744 36.813 18.213 1.00 38.09 H new ATOM 0 HD3 LYS A 12 39.288 36.626 18.335 1.00 38.09 H new ATOM 0 HE2 LYS A 12 38.371 35.631 16.322 1.00 42.92 H new ATOM 0 HE3 LYS A 12 39.242 34.640 17.154 1.00 42.92 H new ATOM 0 HZ1 LYS A 12 37.218 33.574 16.540 0.00 0.00 H new ATOM 0 HZ2 LYS A 12 37.234 33.662 17.991 0.00 0.00 H new ATOM 0 HZ3 LYS A 12 36.423 34.586 17.216 0.00 0.00 H new ATOM 83 N SER A 13 40.007 34.856 22.862 1.00 10.26 N ATOM 84 CA SER A 13 40.972 33.924 23.112 1.00 13.04 C ATOM 85 C SER A 13 40.455 32.843 24.143 1.00 21.27 C ATOM 86 O SER A 13 40.624 31.634 23.973 1.00 12.58 O ATOM 87 CB SER A 13 42.312 34.729 23.614 1.00 8.96 C ATOM 88 OG SER A 13 43.258 33.815 23.825 1.00 50.58 O ATOM 0 H SER A 13 40.208 35.668 23.060 1.00 10.26 H new ATOM 0 HA SER A 13 41.197 33.420 22.314 1.00 13.04 H new ATOM 0 HB2 SER A 13 42.598 35.371 22.945 1.00 8.96 H new ATOM 0 HB3 SER A 13 42.129 35.228 24.426 1.00 8.96 H new ATOM 0 HG SER A 13 43.410 33.399 23.111 1.00 50.58 H new ATOM 89 N SER A 14 39.885 33.285 25.205 1.00 21.95 N ATOM 90 CA SER A 14 39.365 32.372 26.298 1.00 10.23 C ATOM 91 C SER A 14 38.080 31.443 25.890 1.00 13.11 C ATOM 92 O SER A 14 37.854 30.240 26.293 1.00 11.83 O ATOM 93 CB SER A 14 39.075 33.184 27.541 1.00 16.81 C ATOM 94 OG SER A 14 38.102 34.041 27.209 1.00 24.12 O ATOM 0 H SER A 14 39.763 34.121 25.363 1.00 21.95 H new ATOM 0 HA SER A 14 40.075 31.732 26.464 1.00 10.23 H new ATOM 0 HB2 SER A 14 38.797 32.611 28.272 1.00 16.81 H new ATOM 0 HB3 SER A 14 39.868 33.658 27.838 1.00 16.81 H new ATOM 0 HG SER A 14 37.996 34.036 26.376 1.00 24.12 H new ATOM 95 N TRP A 15 37.346 31.943 24.997 1.00 15.97 N ATOM 96 CA TRP A 15 36.170 31.090 24.438 1.00 16.78 C ATOM 97 C TRP A 15 36.595 30.031 23.494 1.00 26.95 C ATOM 98 O TRP A 15 35.972 28.839 23.492 1.00 10.60 O ATOM 99 CB TRP A 15 35.214 31.951 23.751 1.00 16.22 C ATOM 100 CG TRP A 15 33.999 31.038 23.124 1.00 37.57 C ATOM 101 CD1 TRP A 15 32.874 30.370 23.704 1.00 24.68 C ATOM 102 CD2 TRP A 15 33.905 30.676 21.778 1.00 18.70 C ATOM 103 NE1 TRP A 15 32.081 29.594 22.733 1.00 23.75 N ATOM 104 CE2 TRP A 15 32.690 29.775 21.613 1.00 35.80 C ATOM 105 CE3 TRP A 15 34.788 31.038 20.730 1.00 17.60 C ATOM 106 CZ2 TRP A 15 32.297 29.210 20.388 1.00 28.73 C ATOM 107 CZ3 TRP A 15 34.394 30.465 19.499 1.00 38.02 C ATOM 108 CH2 TRP A 15 33.187 29.578 19.333 1.00 54.88 C ATOM 0 H TRP A 15 37.434 32.729 24.659 1.00 15.97 H new ATOM 0 HA TRP A 15 35.772 30.655 25.208 1.00 16.78 H new ATOM 0 HB2 TRP A 15 34.853 32.606 24.369 1.00 16.22 H new ATOM 0 HB3 TRP A 15 35.659 32.443 23.044 1.00 16.22 H new ATOM 0 HD1 TRP A 15 32.663 30.421 24.608 1.00 24.68 H new ATOM 0 HE1 TRP A 15 31.374 29.127 22.881 1.00 23.75 H new ATOM 0 HE3 TRP A 15 35.533 31.584 20.838 1.00 17.60 H new ATOM 0 HZ2 TRP A 15 31.551 28.665 20.278 1.00 28.73 H new ATOM 0 HZ3 TRP A 15 34.910 30.646 18.747 1.00 38.02 H new ATOM 0 HH2 TRP A 15 33.009 29.246 18.483 1.00 54.88 H new ATOM 109 N GLU A 16 37.709 30.408 22.809 1.00 25.38 N ATOM 110 CA GLU A 16 38.217 29.408 21.955 1.00 26.47 C ATOM 111 C GLU A 16 38.731 28.297 22.763 1.00 26.07 C ATOM 112 O GLU A 16 38.326 27.079 22.465 1.00 22.32 O ATOM 113 CB GLU A 16 39.283 30.070 20.951 1.00 16.75 C ATOM 114 CG GLU A 16 38.637 30.922 19.918 1.00 32.39 C ATOM 115 CD GLU A 16 39.733 31.654 19.005 1.00 45.97 C ATOM 116 OE1 GLU A 16 40.865 32.116 19.494 1.00 47.96 O ATOM 117 OE2 GLU A 16 39.385 32.156 17.931 1.00 46.42 O ATOM 0 H GLU A 16 38.120 31.163 22.840 1.00 25.38 H new ATOM 0 HA GLU A 16 37.526 29.023 21.393 1.00 26.47 H new ATOM 0 HB2 GLU A 16 39.913 30.604 21.459 1.00 16.75 H new ATOM 0 HB3 GLU A 16 39.792 29.368 20.516 1.00 16.75 H new ATOM 0 HG2 GLU A 16 38.059 30.378 19.361 1.00 32.39 H new ATOM 0 HG3 GLU A 16 38.074 31.585 20.347 1.00 32.39 H new ATOM 118 N GLU A 17 39.365 28.694 23.886 1.00 7.38 N ATOM 119 CA GLU A 17 39.719 27.680 24.829 1.00 5.27 C ATOM 120 C GLU A 17 38.479 26.773 25.381 1.00 19.49 C ATOM 121 O GLU A 17 38.514 25.531 25.517 1.00 16.16 O ATOM 122 CB GLU A 17 40.564 28.312 26.014 1.00 3.80 C ATOM 123 CG GLU A 17 42.025 28.886 25.624 1.00 31.23 C ATOM 124 CD GLU A 17 42.841 29.074 26.918 1.00 48.20 C ATOM 125 OE1 GLU A 17 43.216 28.051 27.442 1.00 46.81 O ATOM 126 OE2 GLU A 17 42.641 30.017 27.683 1.00 51.80 O ATOM 0 H GLU A 17 39.578 29.501 24.091 1.00 7.38 H new ATOM 0 HA GLU A 17 40.265 27.045 24.340 1.00 5.27 H new ATOM 0 HB2 GLU A 17 40.048 29.034 26.405 1.00 3.80 H new ATOM 0 HB3 GLU A 17 40.675 27.638 26.702 1.00 3.80 H new ATOM 0 HG2 GLU A 17 42.479 28.272 25.026 1.00 31.23 H new ATOM 0 HG3 GLU A 17 41.941 29.730 25.154 1.00 31.23 H new ATOM 127 N PHE A 18 37.410 27.362 25.630 1.00 22.12 N ATOM 128 CA PHE A 18 36.136 26.585 26.124 1.00 16.23 C ATOM 129 C PHE A 18 35.561 25.513 25.109 1.00 18.42 C ATOM 130 O PHE A 18 35.183 24.299 25.436 1.00 18.91 O ATOM 131 CB PHE A 18 35.085 27.541 26.390 1.00 11.60 C ATOM 132 CG PHE A 18 33.694 26.786 26.836 1.00 13.90 C ATOM 133 CD1 PHE A 18 33.486 26.406 28.152 1.00 15.13 C ATOM 134 CD2 PHE A 18 32.657 26.489 25.924 1.00 19.53 C ATOM 135 CE1 PHE A 18 32.242 25.712 28.561 1.00 16.40 C ATOM 136 CE2 PHE A 18 31.414 25.791 26.323 1.00 8.16 C ATOM 137 CZ PHE A 18 31.207 25.398 27.643 1.00 5.88 C ATOM 0 H PHE A 18 37.300 28.211 25.551 1.00 22.12 H new ATOM 0 HA PHE A 18 36.422 26.096 26.911 1.00 16.23 H new ATOM 0 HB2 PHE A 18 35.366 28.148 27.093 1.00 11.60 H new ATOM 0 HB3 PHE A 18 34.925 28.078 25.598 1.00 11.60 H new ATOM 0 HD1 PHE A 18 34.138 26.589 28.789 1.00 15.13 H new ATOM 0 HD2 PHE A 18 32.759 26.743 25.035 1.00 19.53 H new ATOM 0 HE1 PHE A 18 32.136 25.473 29.454 1.00 16.40 H new ATOM 0 HE2 PHE A 18 30.763 25.613 25.684 1.00 8.16 H new ATOM 0 HZ PHE A 18 30.434 24.955 27.908 1.00 5.88 H new ATOM 138 N ASN A 19 35.482 25.975 23.902 1.00 20.63 N ATOM 139 CA ASN A 19 34.851 25.112 22.838 1.00 12.94 C ATOM 140 C ASN A 19 35.668 23.993 22.490 1.00 20.51 C ATOM 141 O ASN A 19 35.136 22.977 21.837 1.00 27.47 O ATOM 142 CB ASN A 19 34.705 25.983 21.597 1.00 23.09 C ATOM 143 CG ASN A 19 33.388 25.416 20.901 1.00 37.07 C ATOM 144 OD1 ASN A 19 32.295 25.441 21.515 1.00 43.33 O ATOM 145 ND2 ASN A 19 33.480 25.349 19.593 1.00 41.19 N ATOM 0 H ASN A 19 35.762 26.746 23.643 1.00 20.63 H new ATOM 0 HA ASN A 19 34.006 24.771 23.171 1.00 12.94 H new ATOM 0 HB2 ASN A 19 34.612 26.921 21.827 1.00 23.09 H new ATOM 0 HB3 ASN A 19 35.477 25.909 21.015 1.00 23.09 H new ATOM 0 HD21 ASN A 19 32.767 25.320 19.113 1.00 41.19 H new ATOM 0 HD22 ASN A 19 34.253 25.334 19.217 1.00 41.19 H new ATOM 146 N ALA A 20 36.925 24.184 22.944 1.00 22.10 N ATOM 147 CA ALA A 20 37.863 23.225 22.666 1.00 19.73 C ATOM 148 C ALA A 20 37.491 21.896 23.407 1.00 27.28 C ATOM 149 O ALA A 20 38.025 20.888 23.076 1.00 28.79 O ATOM 150 CB ALA A 20 39.336 23.814 23.013 1.00 28.34 C ATOM 0 H ALA A 20 37.199 24.861 23.399 1.00 22.10 H new ATOM 0 HA ALA A 20 37.879 22.998 21.723 1.00 19.73 H new ATOM 0 HB1 ALA A 20 40.008 23.141 22.819 1.00 28.34 H new ATOM 0 HB2 ALA A 20 39.504 24.603 22.474 1.00 28.34 H new ATOM 0 HB3 ALA A 20 39.377 24.050 23.953 1.00 28.34 H new ATOM 151 N ASN A 21 36.617 21.901 24.384 1.00 17.60 N ATOM 152 CA ASN A 21 36.174 20.664 25.155 1.00 14.91 C ATOM 153 C ASN A 21 34.765 20.621 25.743 1.00 7.25 C ATOM 154 O ASN A 21 34.602 20.559 26.990 1.00 13.20 O ATOM 155 CB ASN A 21 37.185 20.501 26.278 1.00 10.89 C ATOM 156 CG ASN A 21 37.021 19.029 26.731 1.00 10.44 C ATOM 157 OD1 ASN A 21 37.888 18.654 27.498 1.00 30.47 O ATOM 158 ND2 ASN A 21 35.915 18.245 26.337 1.00 14.41 N ATOM 0 H ASN A 21 36.232 22.621 24.654 1.00 17.60 H new ATOM 0 HA ASN A 21 36.139 19.948 24.501 1.00 14.91 H new ATOM 0 HB2 ASN A 21 38.088 20.678 25.970 1.00 10.89 H new ATOM 0 HB3 ASN A 21 37.008 21.117 27.006 1.00 10.89 H new ATOM 0 HD21 ASN A 21 35.823 17.447 26.643 1.00 14.41 H new ATOM 0 HD22 ASN A 21 35.333 18.566 25.791 1.00 14.41 H new ATOM 159 N ILE A 22 33.819 20.694 24.845 1.00 12.42 N ATOM 160 CA ILE A 22 32.378 20.602 25.172 1.00 6.91 C ATOM 161 C ILE A 22 31.862 19.532 26.210 1.00 7.30 C ATOM 162 O ILE A 22 31.352 19.938 27.249 1.00 11.64 O ATOM 163 CB ILE A 22 31.465 20.519 23.920 1.00 13.92 C ATOM 164 CG1 ILE A 22 31.700 21.866 23.145 1.00 17.75 C ATOM 165 CG2 ILE A 22 29.952 20.088 24.249 1.00 13.10 C ATOM 166 CD1 ILE A 22 31.313 23.045 23.983 1.00 16.36 C ATOM 0 H ILE A 22 33.976 20.800 24.006 1.00 12.42 H new ATOM 0 HA ILE A 22 32.305 21.449 25.640 1.00 6.91 H new ATOM 0 HB ILE A 22 31.697 19.786 23.329 1.00 13.92 H new ATOM 0 HG12 ILE A 22 32.634 21.938 22.892 1.00 17.75 H new ATOM 0 HG13 ILE A 22 31.183 21.865 22.324 1.00 17.75 H new ATOM 0 HG21 ILE A 22 29.438 20.056 23.427 1.00 13.10 H new ATOM 0 HG22 ILE A 22 29.948 19.213 24.667 1.00 13.10 H new ATOM 0 HG23 ILE A 22 29.555 20.735 24.852 1.00 13.10 H new ATOM 0 HD11 ILE A 22 31.467 23.862 23.483 1.00 16.36 H new ATOM 0 HD12 ILE A 22 30.374 22.982 24.217 1.00 16.36 H new ATOM 0 HD13 ILE A 22 31.847 23.056 24.793 1.00 16.36 H new ATOM 167 N PRO A 23 32.046 18.250 26.047 1.00 16.90 N ATOM 168 CA PRO A 23 31.476 17.211 27.017 1.00 10.16 C ATOM 169 C PRO A 23 32.007 17.483 28.430 1.00 16.42 C ATOM 170 O PRO A 23 31.177 17.386 29.380 1.00 18.63 O ATOM 171 CB PRO A 23 31.773 15.828 26.526 1.00 17.41 C ATOM 172 CG PRO A 23 32.324 16.053 25.100 1.00 13.64 C ATOM 173 CD PRO A 23 32.536 17.593 24.849 1.00 16.09 C ATOM 0 HA PRO A 23 30.510 17.283 27.059 1.00 10.16 H new ATOM 0 HB2 PRO A 23 32.422 15.381 27.092 1.00 17.41 H new ATOM 0 HB3 PRO A 23 30.976 15.275 26.517 1.00 17.41 H new ATOM 0 HG2 PRO A 23 33.164 15.580 24.990 1.00 13.64 H new ATOM 0 HG3 PRO A 23 31.707 15.692 24.445 1.00 13.64 H new ATOM 0 HD2 PRO A 23 33.472 17.797 24.697 1.00 16.09 H new ATOM 0 HD3 PRO A 23 32.050 17.889 24.064 1.00 16.09 H new ATOM 174 N LYS A 24 33.296 17.991 28.544 1.00 16.69 N ATOM 175 CA LYS A 24 33.853 18.353 29.867 1.00 16.65 C ATOM 176 C LYS A 24 33.337 19.585 30.454 1.00 21.31 C ATOM 177 O LYS A 24 32.858 19.539 31.619 1.00 12.62 O ATOM 178 CB LYS A 24 35.415 18.555 29.865 1.00 17.27 C ATOM 179 CG LYS A 24 36.015 18.834 31.278 1.00 20.85 C ATOM 180 CD LYS A 24 37.559 18.834 31.339 1.00 28.12 C ATOM 181 CE LYS A 24 38.365 19.899 30.423 0.00 0.00 C ATOM 182 NZ LYS A 24 39.821 19.870 30.549 0.00 0.00 N ATOM 0 H LYS A 24 33.828 18.121 27.881 1.00 16.69 H new ATOM 0 HA LYS A 24 33.576 17.583 30.388 1.00 16.65 H new ATOM 0 HB2 LYS A 24 35.835 17.763 29.495 1.00 17.27 H new ATOM 0 HB3 LYS A 24 35.636 19.294 29.277 1.00 17.27 H new ATOM 0 HG2 LYS A 24 35.692 19.694 31.588 1.00 20.85 H new ATOM 0 HG3 LYS A 24 35.680 18.165 31.896 1.00 20.85 H new ATOM 0 HD2 LYS A 24 37.818 18.982 32.262 1.00 28.12 H new ATOM 0 HD3 LYS A 24 37.864 17.946 31.097 1.00 28.12 H new ATOM 0 HE2 LYS A 24 38.134 19.742 29.494 0.00 0.00 H new ATOM 0 HE3 LYS A 24 38.055 20.791 30.645 0.00 0.00 H new ATOM 0 HZ1 LYS A 24 40.178 20.484 30.013 0.00 0.00 H new ATOM 0 HZ2 LYS A 24 40.050 20.043 31.392 0.00 0.00 H new ATOM 0 HZ3 LYS A 24 40.123 19.065 30.319 0.00 0.00 H new ATOM 183 N HIS A 25 33.467 20.657 29.679 1.00 15.66 N ATOM 184 CA HIS A 25 33.212 21.968 30.195 1.00 16.85 C ATOM 185 C HIS A 25 31.730 22.064 30.468 1.00 16.50 C ATOM 186 O HIS A 25 31.411 22.685 31.484 1.00 11.66 O ATOM 187 CB HIS A 25 33.850 23.106 29.261 1.00 4.85 C ATOM 188 CG HIS A 25 35.393 23.147 29.203 1.00 15.71 C ATOM 189 ND1 HIS A 25 36.122 22.808 30.316 1.00 25.10 N ATOM 190 CD2 HIS A 25 36.248 23.448 28.179 1.00 18.82 C ATOM 191 CE1 HIS A 25 37.489 22.906 29.933 1.00 12.44 C ATOM 192 NE2 HIS A 25 37.560 23.306 28.584 1.00 17.40 N ATOM 0 H HIS A 25 33.703 20.634 28.852 1.00 15.66 H new ATOM 0 HA HIS A 25 33.662 22.126 31.040 1.00 16.85 H new ATOM 0 HB2 HIS A 25 33.513 22.986 28.359 1.00 4.85 H new ATOM 0 HB3 HIS A 25 33.532 23.969 29.570 1.00 4.85 H new ATOM 0 HD2 HIS A 25 35.982 23.712 27.328 1.00 18.82 H new ATOM 0 HE1 HIS A 25 38.218 22.734 30.484 1.00 12.44 H new ATOM 0 HE2 HIS A 25 38.269 23.434 28.114 1.00 17.40 H new ATOM 193 N THR A 26 30.853 21.416 29.624 1.00 13.42 N ATOM 194 CA THR A 26 29.397 21.414 29.793 1.00 11.54 C ATOM 195 C THR A 26 28.829 20.540 30.969 1.00 5.77 C ATOM 196 O THR A 26 27.918 20.897 31.688 1.00 8.03 O ATOM 197 CB THR A 26 28.611 20.955 28.510 1.00 25.30 C ATOM 198 OG1 THR A 26 28.765 19.589 28.197 1.00 13.82 O ATOM 199 CG2 THR A 26 29.053 21.903 27.323 1.00 13.54 C ATOM 0 H THR A 26 31.115 20.968 28.938 1.00 13.42 H new ATOM 0 HA THR A 26 29.251 22.351 29.995 1.00 11.54 H new ATOM 0 HB THR A 26 27.659 21.038 28.678 1.00 25.30 H new ATOM 0 HG1 THR A 26 29.529 19.460 27.873 1.00 13.82 H new ATOM 0 HG21 THR A 26 28.585 21.647 26.513 1.00 13.54 H new ATOM 0 HG22 THR A 26 28.836 22.822 27.544 1.00 13.54 H new ATOM 0 HG23 THR A 26 30.009 21.822 27.183 1.00 13.54 H new ATOM 200 N HIS A 27 29.425 19.483 31.211 1.00 8.84 N ATOM 201 CA HIS A 27 29.023 18.620 32.368 1.00 9.63 C ATOM 202 C HIS A 27 29.453 19.381 33.656 1.00 9.45 C ATOM 203 O HIS A 27 28.622 19.411 34.598 1.00 12.70 O ATOM 204 CB HIS A 27 29.675 17.323 32.261 1.00 11.70 C ATOM 205 CG HIS A 27 29.643 16.523 33.580 1.00 9.33 C ATOM 206 ND1 HIS A 27 28.475 15.670 34.022 1.00 21.89 N ATOM 207 CD2 HIS A 27 30.645 16.488 34.471 1.00 8.64 C ATOM 208 CE1 HIS A 27 28.802 15.108 35.251 1.00 11.96 C ATOM 209 NE2 HIS A 27 30.162 15.623 35.525 1.00 24.94 N ATOM 0 H HIS A 27 30.086 19.182 30.750 1.00 8.84 H new ATOM 0 HA HIS A 27 28.068 18.453 32.386 1.00 9.63 H new ATOM 0 HB2 HIS A 27 29.243 16.805 31.564 1.00 11.70 H new ATOM 0 HB3 HIS A 27 30.597 17.451 31.988 1.00 11.70 H new ATOM 0 HD2 HIS A 27 31.466 16.922 34.422 1.00 8.64 H new ATOM 0 HE1 HIS A 27 28.286 14.541 35.778 1.00 11.96 H new ATOM 0 HE2 HIS A 27 30.614 15.430 36.231 1.00 24.94 H new ATOM 210 N ARG A 28 30.656 20.127 33.595 1.00 13.26 N ATOM 211 CA ARG A 28 31.226 20.962 34.718 1.00 11.25 C ATOM 212 C ARG A 28 30.420 22.098 35.046 1.00 10.52 C ATOM 213 O ARG A 28 30.155 22.324 36.245 1.00 14.10 O ATOM 214 CB ARG A 28 32.720 21.540 34.454 1.00 9.84 C ATOM 215 CG ARG A 28 33.405 22.277 35.684 1.00 28.36 C ATOM 216 CD ARG A 28 33.459 21.345 36.908 1.00 28.90 C ATOM 217 NE ARG A 28 34.064 22.165 38.034 1.00 44.14 N ATOM 218 CZ ARG A 28 33.867 21.890 39.316 1.00 49.30 C ATOM 219 NH1 ARG A 28 33.104 20.770 39.713 1.00 51.36 N ATOM 220 NH2 ARG A 28 34.475 22.747 40.206 1.00 42.17 N ATOM 0 H ARG A 28 31.145 20.145 32.888 1.00 13.26 H new ATOM 0 HA ARG A 28 31.248 20.320 35.445 1.00 11.25 H new ATOM 0 HB2 ARG A 28 33.290 20.804 34.182 1.00 9.84 H new ATOM 0 HB3 ARG A 28 32.682 22.159 33.708 1.00 9.84 H new ATOM 0 HG2 ARG A 28 34.302 22.555 35.443 1.00 28.36 H new ATOM 0 HG3 ARG A 28 32.908 23.081 35.904 1.00 28.36 H new ATOM 0 HD2 ARG A 28 32.572 21.032 37.145 1.00 28.90 H new ATOM 0 HD3 ARG A 28 33.997 20.560 36.723 1.00 28.90 H new ATOM 0 HE ARG A 28 34.557 22.839 37.831 1.00 44.14 H new ATOM 0 HH11 ARG A 28 32.758 20.253 39.119 1.00 51.36 H new ATOM 0 HH12 ARG A 28 32.985 20.605 40.549 1.00 51.36 H new ATOM 0 HH21 ARG A 28 34.944 23.407 39.916 1.00 42.17 H new ATOM 0 HH22 ARG A 28 34.386 22.623 41.052 1.00 42.17 H new ATOM 221 N PHE A 29 30.000 22.722 33.996 1.00 11.04 N ATOM 222 CA PHE A 29 29.135 23.783 34.094 1.00 14.27 C ATOM 223 C PHE A 29 27.854 23.311 34.904 1.00 17.07 C ATOM 224 O PHE A 29 27.595 23.961 35.924 1.00 13.35 O ATOM 225 CB PHE A 29 28.776 24.239 32.675 1.00 7.04 C ATOM 226 CG PHE A 29 27.642 25.126 32.679 1.00 13.99 C ATOM 227 CD1 PHE A 29 27.876 26.428 33.176 1.00 3.46 C ATOM 228 CD2 PHE A 29 26.379 24.600 32.199 1.00 7.49 C ATOM 229 CE1 PHE A 29 26.841 27.210 33.201 1.00 6.40 C ATOM 230 CE2 PHE A 29 25.338 25.374 32.221 1.00 21.76 C ATOM 231 CZ PHE A 29 25.569 26.682 32.723 1.00 10.44 C ATOM 0 H PHE A 29 30.228 22.520 33.192 1.00 11.04 H new ATOM 0 HA PHE A 29 29.533 24.532 34.565 1.00 14.27 H new ATOM 0 HB2 PHE A 29 29.538 24.687 32.275 1.00 7.04 H new ATOM 0 HB3 PHE A 29 28.581 23.465 32.124 1.00 7.04 H new ATOM 0 HD1 PHE A 29 28.715 26.706 33.466 1.00 3.46 H new ATOM 0 HD2 PHE A 29 26.317 23.728 31.883 1.00 7.49 H new ATOM 0 HE1 PHE A 29 26.909 28.083 33.515 1.00 6.40 H new ATOM 0 HE2 PHE A 29 24.501 25.093 31.929 1.00 21.76 H new ATOM 0 HZ PHE A 29 24.839 27.257 32.749 1.00 10.44 H new ATOM 232 N PHE A 30 27.148 22.142 34.546 1.00 13.60 N ATOM 233 CA PHE A 30 25.907 21.581 35.275 1.00 9.46 C ATOM 234 C PHE A 30 26.113 21.135 36.709 1.00 6.09 C ATOM 235 O PHE A 30 25.267 21.345 37.583 1.00 12.34 O ATOM 236 CB PHE A 30 25.000 20.477 34.483 1.00 6.44 C ATOM 237 CG PHE A 30 24.112 21.113 33.481 1.00 15.18 C ATOM 238 CD1 PHE A 30 24.356 21.065 32.129 1.00 5.15 C ATOM 239 CD2 PHE A 30 23.071 21.739 33.951 1.00 15.01 C ATOM 240 CE1 PHE A 30 23.551 21.647 31.233 1.00 11.00 C ATOM 241 CE2 PHE A 30 22.266 22.328 33.068 1.00 17.07 C ATOM 242 CZ PHE A 30 22.504 22.278 31.705 1.00 18.89 C ATOM 0 H PHE A 30 27.381 21.659 33.874 1.00 13.60 H new ATOM 0 HA PHE A 30 25.388 22.401 35.289 1.00 9.46 H new ATOM 0 HB2 PHE A 30 25.581 19.838 34.041 1.00 6.44 H new ATOM 0 HB3 PHE A 30 24.464 19.980 35.121 1.00 6.44 H new ATOM 0 HD1 PHE A 30 25.109 20.611 31.826 1.00 5.15 H new ATOM 0 HD2 PHE A 30 22.897 21.773 34.864 1.00 15.01 H new ATOM 0 HE1 PHE A 30 23.726 21.606 30.320 1.00 11.00 H new ATOM 0 HE2 PHE A 30 21.519 22.788 33.377 1.00 17.07 H new ATOM 0 HZ PHE A 30 21.915 22.696 31.119 1.00 18.89 H new ATOM 243 N ILE A 31 27.272 20.697 36.969 1.00 7.34 N ATOM 244 CA ILE A 31 27.644 20.400 38.348 1.00 9.63 C ATOM 245 C ILE A 31 27.805 21.678 39.196 1.00 3.00 C ATOM 246 O ILE A 31 27.346 21.645 40.363 1.00 9.03 O ATOM 247 CB ILE A 31 28.993 19.825 38.389 1.00 8.00 C ATOM 248 CG1 ILE A 31 28.898 18.462 37.655 1.00 16.23 C ATOM 249 CG2 ILE A 31 29.518 19.706 39.828 1.00 3.00 C ATOM 250 CD1 ILE A 31 27.957 17.334 38.385 1.00 31.29 C ATOM 0 H ILE A 31 27.886 20.552 36.384 1.00 7.34 H new ATOM 0 HA ILE A 31 26.944 19.817 38.682 1.00 9.63 H new ATOM 0 HB ILE A 31 29.641 20.397 37.948 1.00 8.00 H new ATOM 0 HG12 ILE A 31 28.556 18.617 36.761 1.00 16.23 H new ATOM 0 HG13 ILE A 31 29.793 18.101 37.558 1.00 16.23 H new ATOM 0 HG21 ILE A 31 30.409 19.323 39.817 1.00 3.00 H new ATOM 0 HG22 ILE A 31 29.549 20.586 40.235 1.00 3.00 H new ATOM 0 HG23 ILE A 31 28.927 19.134 40.342 1.00 3.00 H new ATOM 0 HD11 ILE A 31 27.958 16.520 37.857 1.00 31.29 H new ATOM 0 HD12 ILE A 31 28.306 17.145 39.270 1.00 31.29 H new ATOM 0 HD13 ILE A 31 27.050 17.669 38.460 1.00 31.29 H new ATOM 251 N LEU A 32 28.409 22.780 38.598 1.00 4.03 N ATOM 252 CA LEU A 32 28.636 24.089 39.287 1.00 8.03 C ATOM 253 C LEU A 32 27.329 24.671 39.515 1.00 12.85 C ATOM 254 O LEU A 32 27.161 25.251 40.603 1.00 17.15 O ATOM 255 CB LEU A 32 29.627 25.110 38.482 1.00 13.25 C ATOM 256 CG LEU A 32 31.073 24.758 38.490 1.00 9.02 C ATOM 257 CD1 LEU A 32 31.969 25.578 37.437 1.00 14.54 C ATOM 258 CD2 LEU A 32 31.717 24.951 39.891 1.00 12.86 C ATOM 0 H LEU A 32 28.691 22.771 37.785 1.00 4.03 H new ATOM 0 HA LEU A 32 29.105 23.930 40.121 1.00 8.03 H new ATOM 0 HB2 LEU A 32 29.330 25.161 37.560 1.00 13.25 H new ATOM 0 HB3 LEU A 32 29.526 25.997 38.862 1.00 13.25 H new ATOM 0 HG LEU A 32 31.073 23.823 38.231 1.00 9.02 H new ATOM 0 HD11 LEU A 32 32.893 25.291 37.505 1.00 14.54 H new ATOM 0 HD12 LEU A 32 31.645 25.412 36.538 1.00 14.54 H new ATOM 0 HD13 LEU A 32 31.910 26.527 37.631 1.00 14.54 H new ATOM 0 HD21 LEU A 32 32.656 24.711 39.852 1.00 12.86 H new ATOM 0 HD22 LEU A 32 31.632 25.879 40.162 1.00 12.86 H new ATOM 0 HD23 LEU A 32 31.266 24.384 40.536 1.00 12.86 H new ATOM 259 N VAL A 33 26.398 24.447 38.572 1.00 13.13 N ATOM 260 CA VAL A 33 25.072 24.889 38.771 1.00 16.39 C ATOM 261 C VAL A 33 24.371 24.222 40.007 1.00 12.32 C ATOM 262 O VAL A 33 23.884 24.925 40.869 1.00 14.77 O ATOM 263 CB VAL A 33 24.127 24.563 37.554 1.00 10.93 C ATOM 264 CG1 VAL A 33 22.671 24.817 37.845 1.00 8.65 C ATOM 265 CG2 VAL A 33 24.684 25.315 36.281 1.00 4.51 C ATOM 0 H VAL A 33 26.541 24.042 37.827 1.00 13.13 H new ATOM 0 HA VAL A 33 25.181 25.844 38.899 1.00 16.39 H new ATOM 0 HB VAL A 33 24.143 23.610 37.375 1.00 10.93 H new ATOM 0 HG11 VAL A 33 22.142 24.599 37.062 1.00 8.65 H new ATOM 0 HG12 VAL A 33 22.388 24.264 38.590 1.00 8.65 H new ATOM 0 HG13 VAL A 33 22.544 25.752 38.071 1.00 8.65 H new ATOM 0 HG21 VAL A 33 24.115 25.127 35.519 1.00 4.51 H new ATOM 0 HG22 VAL A 33 24.694 26.270 36.448 1.00 4.51 H new ATOM 0 HG23 VAL A 33 25.586 25.010 36.094 1.00 4.51 H new ATOM 266 N LEU A 34 24.400 22.912 40.087 1.00 17.67 N ATOM 267 CA LEU A 34 23.711 22.028 41.128 1.00 12.76 C ATOM 268 C LEU A 34 24.417 22.239 42.477 1.00 13.13 C ATOM 269 O LEU A 34 23.717 22.136 43.524 1.00 12.05 O ATOM 270 CB LEU A 34 23.593 20.533 40.689 1.00 11.23 C ATOM 271 CG LEU A 34 22.222 19.949 40.039 1.00 22.01 C ATOM 272 CD1 LEU A 34 21.539 20.974 39.239 1.00 10.63 C ATOM 273 CD2 LEU A 34 22.323 18.667 39.212 1.00 8.91 C ATOM 0 H LEU A 34 24.841 22.444 39.516 1.00 17.67 H new ATOM 0 HA LEU A 34 22.784 22.297 41.221 1.00 12.76 H new ATOM 0 HB2 LEU A 34 24.302 20.370 40.047 1.00 11.23 H new ATOM 0 HB3 LEU A 34 23.788 19.993 41.471 1.00 11.23 H new ATOM 0 HG LEU A 34 21.712 19.698 40.825 1.00 22.01 H new ATOM 0 HD11 LEU A 34 20.726 20.602 38.863 1.00 10.63 H new ATOM 0 HD12 LEU A 34 21.317 21.731 39.804 1.00 10.63 H new ATOM 0 HD13 LEU A 34 22.122 21.267 38.522 1.00 10.63 H new ATOM 0 HD21 LEU A 34 21.444 18.424 38.882 1.00 8.91 H new ATOM 0 HD22 LEU A 34 22.921 18.812 38.462 1.00 8.91 H new ATOM 0 HD23 LEU A 34 22.669 17.950 39.767 1.00 8.91 H new ATOM 274 N GLU A 35 25.718 22.729 42.446 1.00 12.92 N ATOM 275 CA GLU A 35 26.444 23.152 43.689 1.00 14.53 C ATOM 276 C GLU A 35 26.050 24.443 44.270 1.00 8.22 C ATOM 277 O GLU A 35 26.055 24.610 45.515 1.00 15.26 O ATOM 278 CB GLU A 35 27.986 23.368 43.483 1.00 28.69 C ATOM 279 CG GLU A 35 28.501 22.017 43.241 1.00 49.13 C ATOM 280 CD GLU A 35 30.039 22.258 43.142 1.00 49.65 C ATOM 281 OE1 GLU A 35 30.635 21.246 43.024 1.00 45.00 O ATOM 282 OE2 GLU A 35 30.692 23.346 43.579 1.00 42.24 O ATOM 0 H GLU A 35 26.177 22.817 41.724 1.00 12.92 H new ATOM 0 HA GLU A 35 26.210 22.406 44.263 1.00 14.53 H new ATOM 0 HB2 GLU A 35 28.166 23.957 42.733 1.00 28.69 H new ATOM 0 HB3 GLU A 35 28.396 23.770 44.264 1.00 28.69 H new ATOM 0 HG2 GLU A 35 28.276 21.410 43.963 1.00 49.13 H new ATOM 0 HG3 GLU A 35 28.142 21.634 42.426 1.00 49.13 H new ATOM 283 N ILE A 36 25.759 25.336 43.393 1.00 18.33 N ATOM 284 CA ILE A 36 25.390 26.640 43.813 1.00 15.33 C ATOM 285 C ILE A 36 23.908 26.498 44.226 1.00 20.29 C ATOM 286 O ILE A 36 23.574 27.036 45.287 1.00 15.60 O ATOM 287 CB ILE A 36 25.706 27.685 42.674 1.00 14.70 C ATOM 288 CG1 ILE A 36 27.244 27.985 42.401 1.00 10.63 C ATOM 289 CG2 ILE A 36 25.111 29.001 42.921 1.00 9.74 C ATOM 290 CD1 ILE A 36 27.573 28.784 41.093 1.00 11.42 C ATOM 0 H ILE A 36 25.767 25.212 42.542 1.00 18.33 H new ATOM 0 HA ILE A 36 25.891 26.990 44.566 1.00 15.33 H new ATOM 0 HB ILE A 36 25.321 27.232 41.907 1.00 14.70 H new ATOM 0 HG12 ILE A 36 27.597 28.480 43.157 1.00 10.63 H new ATOM 0 HG13 ILE A 36 27.718 27.139 42.369 1.00 10.63 H new ATOM 0 HG21 ILE A 36 25.337 29.600 42.192 1.00 9.74 H new ATOM 0 HG22 ILE A 36 24.147 28.914 42.981 1.00 9.74 H new ATOM 0 HG23 ILE A 36 25.455 29.361 43.753 1.00 9.74 H new ATOM 0 HD11 ILE A 36 28.532 28.912 41.024 1.00 11.42 H new ATOM 0 HD12 ILE A 36 27.257 28.287 40.322 1.00 11.42 H new ATOM 0 HD13 ILE A 36 27.134 29.648 41.122 1.00 11.42 H new ATOM 291 N ALA A 37 23.064 25.711 43.452 1.00 8.74 N ATOM 292 CA ALA A 37 21.600 25.445 43.700 1.00 13.04 C ATOM 293 C ALA A 37 20.977 24.016 43.294 1.00 6.08 C ATOM 294 O ALA A 37 20.536 23.793 42.123 1.00 9.24 O ATOM 295 CB ALA A 37 20.887 26.469 42.919 1.00 7.89 C ATOM 0 H ALA A 37 23.349 25.309 42.747 1.00 8.74 H new ATOM 0 HA ALA A 37 21.499 25.460 44.665 1.00 13.04 H new ATOM 0 HB1 ALA A 37 19.930 26.356 43.034 1.00 7.89 H new ATOM 0 HB2 ALA A 37 21.147 27.351 43.228 1.00 7.89 H new ATOM 0 HB3 ALA A 37 21.113 26.376 41.980 1.00 7.89 H new ATOM 296 N PRO A 38 21.044 23.070 44.196 1.00 14.70 N ATOM 297 CA PRO A 38 20.470 21.635 43.994 1.00 16.86 C ATOM 298 C PRO A 38 19.024 21.418 43.459 1.00 16.32 C ATOM 299 O PRO A 38 18.671 20.496 42.621 1.00 19.17 O ATOM 300 CB PRO A 38 20.523 20.914 45.348 1.00 17.10 C ATOM 301 CG PRO A 38 21.275 21.946 46.326 1.00 11.40 C ATOM 302 CD PRO A 38 21.586 23.298 45.567 1.00 11.30 C ATOM 0 HA PRO A 38 21.033 21.301 43.278 1.00 16.86 H new ATOM 0 HB2 PRO A 38 19.633 20.705 45.672 1.00 17.10 H new ATOM 0 HB3 PRO A 38 21.005 20.075 45.282 1.00 17.10 H new ATOM 0 HG2 PRO A 38 20.723 22.124 47.104 1.00 11.40 H new ATOM 0 HG3 PRO A 38 22.101 21.552 46.648 1.00 11.40 H new ATOM 0 HD2 PRO A 38 21.158 24.054 45.998 1.00 11.30 H new ATOM 0 HD3 PRO A 38 22.538 23.484 45.547 1.00 11.30 H new ATOM 303 N ALA A 39 18.244 22.284 43.878 1.00 14.77 N ATOM 304 CA ALA A 39 16.818 22.209 43.493 1.00 13.89 C ATOM 305 C ALA A 39 16.625 22.354 41.993 1.00 12.37 C ATOM 306 O ALA A 39 15.493 21.954 41.464 1.00 14.28 O ATOM 307 CB ALA A 39 16.170 23.304 44.228 1.00 17.38 C ATOM 0 H ALA A 39 18.459 22.944 44.386 1.00 14.77 H new ATOM 0 HA ALA A 39 16.434 21.346 43.713 1.00 13.89 H new ATOM 0 HB1 ALA A 39 15.222 23.316 44.022 1.00 17.38 H new ATOM 0 HB2 ALA A 39 16.292 23.171 45.181 1.00 17.38 H new ATOM 0 HB3 ALA A 39 16.568 24.149 43.967 1.00 17.38 H new ATOM 308 N ALA A 40 17.679 22.996 41.352 1.00 12.39 N ATOM 309 CA ALA A 40 17.593 23.319 39.927 1.00 15.55 C ATOM 310 C ALA A 40 17.389 22.059 39.051 1.00 18.40 C ATOM 311 O ALA A 40 17.020 22.130 37.857 1.00 14.77 O ATOM 312 CB ALA A 40 18.862 24.272 39.458 1.00 15.81 C ATOM 0 H ALA A 40 18.412 23.232 41.735 1.00 12.39 H new ATOM 0 HA ALA A 40 16.793 23.848 39.784 1.00 15.55 H new ATOM 0 HB1 ALA A 40 18.784 24.473 38.512 1.00 15.81 H new ATOM 0 HB2 ALA A 40 18.851 25.099 39.965 1.00 15.81 H new ATOM 0 HB3 ALA A 40 19.696 23.804 39.621 1.00 15.81 H new ATOM 313 N LYS A 41 17.690 20.965 39.625 1.00 13.30 N ATOM 314 CA LYS A 41 17.670 19.697 38.888 1.00 14.10 C ATOM 315 C LYS A 41 16.311 19.234 38.212 1.00 24.85 C ATOM 316 O LYS A 41 16.271 18.831 37.019 1.00 25.35 O ATOM 317 CB LYS A 41 17.997 18.593 39.853 1.00 21.23 C ATOM 318 CG LYS A 41 17.965 17.205 39.178 1.00 35.49 C ATOM 319 CD LYS A 41 18.289 16.146 40.197 1.00 45.56 C ATOM 320 CE LYS A 41 18.177 14.720 39.593 1.00 35.20 C ATOM 321 NZ LYS A 41 16.774 14.216 39.203 0.00 0.00 N ATOM 0 H LYS A 41 17.917 20.898 40.452 1.00 13.30 H new ATOM 0 HA LYS A 41 18.297 19.860 38.166 1.00 14.10 H new ATOM 0 HB2 LYS A 41 18.876 18.747 40.233 1.00 21.23 H new ATOM 0 HB3 LYS A 41 17.364 18.609 40.588 1.00 21.23 H new ATOM 0 HG2 LYS A 41 17.090 17.041 38.794 1.00 35.49 H new ATOM 0 HG3 LYS A 41 18.605 17.174 38.450 1.00 35.49 H new ATOM 0 HD2 LYS A 41 19.187 16.285 40.535 1.00 45.56 H new ATOM 0 HD3 LYS A 41 17.686 16.227 40.952 1.00 45.56 H new ATOM 0 HE2 LYS A 41 18.737 14.686 38.802 1.00 35.20 H new ATOM 0 HE3 LYS A 41 18.552 14.095 40.233 1.00 35.20 H new ATOM 0 HZ1 LYS A 41 16.836 13.393 38.871 0.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.251 14.206 39.923 0.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.424 14.757 38.590 0.00 0.00 H new ATOM 322 N ASP A 42 15.250 19.423 38.932 1.00 21.04 N ATOM 323 CA ASP A 42 13.847 19.049 38.478 1.00 22.88 C ATOM 324 C ASP A 42 13.491 19.760 37.211 1.00 24.36 C ATOM 325 O ASP A 42 12.492 19.235 36.535 1.00 23.50 O ATOM 326 CB ASP A 42 12.861 19.286 39.601 1.00 41.61 C ATOM 327 CG ASP A 42 13.135 18.392 40.772 1.00 55.64 C ATOM 328 OD1 ASP A 42 13.891 18.918 41.695 1.00 53.25 O ATOM 329 OD2 ASP A 42 13.099 17.150 40.548 1.00 47.77 O ATOM 0 H ASP A 42 15.274 19.774 39.717 1.00 21.04 H new ATOM 0 HA ASP A 42 13.812 18.102 38.269 1.00 22.88 H new ATOM 0 HB2 ASP A 42 12.907 20.213 39.883 1.00 41.61 H new ATOM 0 HB3 ASP A 42 11.959 19.132 39.279 1.00 41.61 H new ATOM 330 N LEU A 43 14.267 20.906 36.907 1.00 11.78 N ATOM 331 CA LEU A 43 13.975 21.715 35.742 1.00 8.10 C ATOM 332 C LEU A 43 14.320 21.110 34.412 1.00 16.65 C ATOM 333 O LEU A 43 13.781 21.445 33.354 1.00 13.95 O ATOM 334 CB LEU A 43 14.759 23.165 35.828 1.00 15.47 C ATOM 335 CG LEU A 43 14.334 23.944 37.046 1.00 14.10 C ATOM 336 CD1 LEU A 43 15.232 25.331 37.193 1.00 15.26 C ATOM 337 CD2 LEU A 43 12.822 24.077 36.996 1.00 14.68 C ATOM 0 H LEU A 43 14.933 21.180 37.378 1.00 11.78 H new ATOM 0 HA LEU A 43 13.010 21.804 35.773 1.00 8.10 H new ATOM 0 HB2 LEU A 43 15.717 23.016 35.854 1.00 15.47 H new ATOM 0 HB3 LEU A 43 14.574 23.683 35.029 1.00 15.47 H new ATOM 0 HG LEU A 43 14.525 23.492 37.883 1.00 14.10 H new ATOM 0 HD11 LEU A 43 14.946 25.820 37.981 1.00 15.26 H new ATOM 0 HD12 LEU A 43 16.171 25.102 37.278 1.00 15.26 H new ATOM 0 HD13 LEU A 43 15.105 25.884 36.406 1.00 15.26 H new ATOM 0 HD21 LEU A 43 12.515 24.576 37.769 1.00 14.68 H new ATOM 0 HD22 LEU A 43 12.565 24.546 36.187 1.00 14.68 H new ATOM 0 HD23 LEU A 43 12.419 23.195 37.000 1.00 14.68 H new ATOM 338 N PHE A 44 15.303 20.377 34.452 1.00 19.09 N ATOM 339 CA PHE A 44 15.904 19.919 33.224 1.00 17.15 C ATOM 340 C PHE A 44 15.388 18.444 32.886 1.00 22.37 C ATOM 341 O PHE A 44 15.526 17.542 33.727 1.00 17.31 O ATOM 342 CB PHE A 44 17.462 20.133 33.338 1.00 13.89 C ATOM 343 CG PHE A 44 18.072 21.640 33.476 1.00 22.50 C ATOM 344 CD1 PHE A 44 18.362 22.203 34.721 1.00 10.59 C ATOM 345 CD2 PHE A 44 18.352 22.424 32.349 1.00 19.86 C ATOM 346 CE1 PHE A 44 18.926 23.555 34.844 1.00 23.95 C ATOM 347 CE2 PHE A 44 18.918 23.778 32.463 1.00 13.71 C ATOM 348 CZ PHE A 44 19.204 24.346 33.711 1.00 11.16 C ATOM 0 H PHE A 44 15.682 20.100 35.173 1.00 19.09 H new ATOM 0 HA PHE A 44 15.633 20.431 32.446 1.00 17.15 H new ATOM 0 HB2 PHE A 44 17.767 19.627 34.107 1.00 13.89 H new ATOM 0 HB3 PHE A 44 17.867 19.729 32.554 1.00 13.89 H new ATOM 0 HD1 PHE A 44 18.194 21.710 35.492 1.00 10.59 H new ATOM 0 HD2 PHE A 44 18.175 22.079 31.504 1.00 19.86 H new ATOM 0 HE1 PHE A 44 19.104 23.897 35.690 1.00 23.95 H new ATOM 0 HE2 PHE A 44 19.089 24.266 31.690 1.00 13.71 H new ATOM 0 HZ PHE A 44 19.559 25.202 33.788 1.00 11.16 H new ATOM 349 N SER A 45 14.691 18.245 31.762 1.00 22.37 N ATOM 350 CA SER A 45 14.012 16.908 31.317 1.00 25.00 C ATOM 351 C SER A 45 14.924 15.816 31.322 1.00 26.79 C ATOM 352 O SER A 45 14.498 14.660 31.784 1.00 22.23 O ATOM 353 CB SER A 45 13.355 16.996 29.928 1.00 41.72 C ATOM 354 OG SER A 45 14.337 17.510 28.931 1.00 37.15 O ATOM 0 H SER A 45 14.571 18.876 31.190 1.00 22.37 H new ATOM 0 HA SER A 45 13.317 16.753 31.976 1.00 25.00 H new ATOM 0 HB2 SER A 45 13.035 16.121 29.657 1.00 41.72 H new ATOM 0 HB3 SER A 45 12.582 17.582 29.964 1.00 41.72 H new ATOM 0 HG SER A 45 14.231 18.338 28.834 1.00 37.15 H new ATOM 355 N PHE A 46 16.173 16.206 30.933 1.00 15.94 N ATOM 356 CA PHE A 46 17.185 15.286 30.909 1.00 11.84 C ATOM 357 C PHE A 46 17.857 15.098 32.254 1.00 30.97 C ATOM 358 O PHE A 46 18.669 14.261 32.358 1.00 20.03 O ATOM 359 CB PHE A 46 18.256 15.688 29.807 1.00 10.77 C ATOM 360 CG PHE A 46 18.868 17.198 29.863 1.00 18.46 C ATOM 361 CD1 PHE A 46 18.431 18.093 28.975 1.00 21.60 C ATOM 362 CD2 PHE A 46 19.847 17.659 30.792 1.00 19.31 C ATOM 363 CE1 PHE A 46 18.960 19.457 29.022 1.00 23.15 C ATOM 364 CE2 PHE A 46 20.387 19.024 30.844 1.00 19.37 C ATOM 365 CZ PHE A 46 19.944 19.925 29.958 1.00 17.89 C ATOM 0 H PHE A 46 16.391 17.003 30.693 1.00 15.94 H new ATOM 0 HA PHE A 46 16.783 14.433 30.684 1.00 11.84 H new ATOM 0 HB2 PHE A 46 18.996 15.063 29.867 1.00 10.77 H new ATOM 0 HB3 PHE A 46 17.849 15.563 28.935 1.00 10.77 H new ATOM 0 HD1 PHE A 46 17.800 17.854 28.336 1.00 21.60 H new ATOM 0 HD2 PHE A 46 20.169 17.047 31.414 1.00 19.31 H new ATOM 0 HE1 PHE A 46 18.635 20.066 28.399 1.00 23.15 H new ATOM 0 HE2 PHE A 46 21.024 19.258 31.480 1.00 19.37 H new ATOM 0 HZ PHE A 46 20.255 20.801 29.949 1.00 17.89 H new ATOM 366 N LEU A 47 17.514 15.810 33.270 1.00 30.39 N ATOM 367 CA LEU A 47 18.045 15.610 34.619 1.00 15.12 C ATOM 368 C LEU A 47 16.932 14.900 35.520 1.00 24.97 C ATOM 369 O LEU A 47 17.229 14.192 36.482 1.00 19.64 O ATOM 370 CB LEU A 47 18.620 16.955 35.306 1.00 20.84 C ATOM 371 CG LEU A 47 19.849 17.751 34.582 1.00 34.53 C ATOM 372 CD1 LEU A 47 20.359 19.091 35.311 1.00 26.73 C ATOM 373 CD2 LEU A 47 20.995 16.900 34.390 1.00 31.94 C ATOM 0 H LEU A 47 16.946 16.454 33.218 1.00 30.39 H new ATOM 0 HA LEU A 47 18.820 15.032 34.545 1.00 15.12 H new ATOM 0 HB2 LEU A 47 17.881 17.577 35.396 1.00 20.84 H new ATOM 0 HB3 LEU A 47 18.908 16.725 36.203 1.00 20.84 H new ATOM 0 HG LEU A 47 19.451 18.021 33.740 1.00 34.53 H new ATOM 0 HD11 LEU A 47 21.086 19.481 34.800 1.00 26.73 H new ATOM 0 HD12 LEU A 47 19.628 19.726 35.369 1.00 26.73 H new ATOM 0 HD13 LEU A 47 20.671 18.875 36.204 1.00 26.73 H new ATOM 0 HD21 LEU A 47 21.703 17.403 33.959 1.00 31.94 H new ATOM 0 HD22 LEU A 47 21.306 16.576 35.250 1.00 31.94 H new ATOM 0 HD23 LEU A 47 20.749 16.146 33.831 1.00 31.94 H new ATOM 374 N LYS A 48 15.705 15.154 35.233 1.00 47.17 N ATOM 375 CA LYS A 48 14.510 14.517 35.970 1.00 56.33 C ATOM 376 C LYS A 48 14.432 12.987 35.949 1.00 49.17 C ATOM 377 O LYS A 48 14.404 12.371 34.852 1.00 48.63 O ATOM 378 CB LYS A 48 13.184 14.820 35.337 1.00 47.35 C ATOM 379 CG LYS A 48 12.973 16.304 35.453 0.00 0.00 C ATOM 380 CD LYS A 48 11.543 16.486 34.988 0.00 0.00 C ATOM 381 CE LYS A 48 11.240 15.985 33.549 0.00 0.00 C ATOM 382 NZ LYS A 48 9.864 16.178 33.169 0.00 0.00 N ATOM 0 H LYS A 48 15.473 15.698 34.609 1.00 47.17 H new ATOM 0 HA LYS A 48 14.664 14.888 36.853 1.00 56.33 H new ATOM 0 HB2 LYS A 48 13.176 14.543 34.407 1.00 47.35 H new ATOM 0 HB3 LYS A 48 12.472 14.336 35.783 1.00 47.35 H new ATOM 0 HG2 LYS A 48 13.096 16.614 36.364 0.00 0.00 H new ATOM 0 HG3 LYS A 48 13.596 16.799 34.899 0.00 0.00 H new ATOM 0 HD2 LYS A 48 10.957 16.022 35.606 0.00 0.00 H new ATOM 0 HD3 LYS A 48 11.320 17.429 35.039 0.00 0.00 H new ATOM 0 HE2 LYS A 48 11.813 16.452 32.921 0.00 0.00 H new ATOM 0 HE3 LYS A 48 11.459 15.042 33.486 0.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.740 15.877 32.341 0.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.336 15.731 33.729 0.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.665 17.045 33.202 0.00 0.00 H new ATOM 383 N GLY A 49 14.367 12.396 37.112 1.00 47.11 N ATOM 384 CA GLY A 49 14.141 10.923 37.201 1.00 56.90 C ATOM 385 C GLY A 49 15.449 10.331 37.287 1.00 56.73 C ATOM 386 O GLY A 49 15.431 9.189 37.817 1.00 53.76 O ATOM 0 H GLY A 49 14.446 12.798 37.868 1.00 47.11 H new ATOM 0 HA2 GLY A 49 13.606 10.699 37.979 1.00 56.90 H new ATOM 0 HA3 GLY A 49 13.662 10.597 36.423 1.00 56.90 H new ATOM 387 N THR A 50 16.562 11.136 36.927 1.00 41.16 N ATOM 388 CA THR A 50 17.880 10.701 37.160 1.00 53.92 C ATOM 389 C THR A 50 18.291 10.899 38.623 1.00 58.36 C ATOM 390 O THR A 50 17.622 11.545 39.384 1.00 54.85 O ATOM 391 CB THR A 50 19.008 11.480 36.284 1.00 42.50 C ATOM 392 OG1 THR A 50 19.457 12.783 36.850 1.00 35.28 O ATOM 393 CG2 THR A 50 18.577 11.627 34.820 1.00 37.06 C ATOM 0 H THR A 50 16.500 11.910 36.558 1.00 41.16 H new ATOM 0 HA THR A 50 17.854 9.766 36.904 1.00 53.92 H new ATOM 0 HB THR A 50 19.791 10.908 36.326 1.00 42.50 H new ATOM 0 HG1 THR A 50 18.837 13.346 36.784 1.00 35.28 H new ATOM 0 HG21 THR A 50 19.268 12.094 34.324 1.00 37.06 H new ATOM 0 HG22 THR A 50 18.440 10.748 34.433 1.00 37.06 H new ATOM 0 HG23 THR A 50 17.750 12.132 34.775 1.00 37.06 H new ATOM 394 N SER A 51 19.406 10.476 38.990 1.00 48.43 N ATOM 395 CA SER A 51 19.967 10.780 40.328 1.00 48.19 C ATOM 396 C SER A 51 21.301 11.727 40.224 1.00 63.01 C ATOM 397 O SER A 51 21.455 12.878 40.763 1.00 52.95 O ATOM 398 CB SER A 51 20.241 9.486 41.033 1.00 52.28 C ATOM 399 OG SER A 51 20.869 9.846 42.298 0.00 0.00 O ATOM 0 H SER A 51 19.915 9.987 38.498 1.00 48.43 H new ATOM 0 HA SER A 51 19.324 11.291 40.844 1.00 48.19 H new ATOM 0 HB2 SER A 51 19.421 8.990 41.181 1.00 52.28 H new ATOM 0 HB3 SER A 51 20.824 8.919 40.504 1.00 52.28 H new ATOM 0 HG SER A 51 21.042 9.149 42.734 0.00 0.00 H new ATOM 400 N GLU A 52 22.130 11.301 39.368 1.00 43.90 N ATOM 401 CA GLU A 52 23.393 12.110 38.940 1.00 46.32 C ATOM 402 C GLU A 52 23.234 12.730 37.572 1.00 48.61 C ATOM 403 O GLU A 52 22.413 12.121 36.739 1.00 36.90 O ATOM 404 CB GLU A 52 24.524 11.228 38.870 1.00 39.03 C ATOM 405 CG GLU A 52 24.793 10.608 40.234 0.00 0.00 C ATOM 406 CD GLU A 52 25.994 9.845 40.089 0.00 0.00 C ATOM 407 OE1 GLU A 52 26.822 10.157 39.153 0.00 0.00 O ATOM 408 OE2 GLU A 52 26.346 9.191 41.066 0.00 0.00 O ATOM 0 H GLU A 52 22.051 10.543 38.970 1.00 43.90 H new ATOM 0 HA GLU A 52 23.517 12.811 39.599 1.00 46.32 H new ATOM 0 HB2 GLU A 52 24.358 10.530 38.217 1.00 39.03 H new ATOM 0 HB3 GLU A 52 25.306 11.717 38.570 1.00 39.03 H new ATOM 0 HG2 GLU A 52 24.897 11.293 40.913 0.00 0.00 H new ATOM 0 HG3 GLU A 52 24.054 10.044 40.511 0.00 0.00 H new ATOM 409 N VAL A 53 24.037 13.877 37.353 1.00 24.02 N ATOM 410 CA VAL A 53 24.114 14.559 36.057 1.00 25.52 C ATOM 411 C VAL A 53 24.745 13.710 35.038 1.00 27.05 C ATOM 412 O VAL A 53 25.852 13.317 35.304 1.00 13.46 O ATOM 413 CB VAL A 53 24.972 15.977 36.183 1.00 28.04 C ATOM 414 CG1 VAL A 53 25.160 16.749 34.847 1.00 8.01 C ATOM 415 CG2 VAL A 53 24.410 16.835 37.263 1.00 20.26 C ATOM 0 H VAL A 53 24.523 14.237 37.964 1.00 24.02 H new ATOM 0 HA VAL A 53 23.203 14.753 35.786 1.00 25.52 H new ATOM 0 HB VAL A 53 25.875 15.720 36.429 1.00 28.04 H new ATOM 0 HG11 VAL A 53 25.668 17.559 35.010 1.00 8.01 H new ATOM 0 HG12 VAL A 53 25.638 16.190 34.214 1.00 8.01 H new ATOM 0 HG13 VAL A 53 24.292 16.981 34.482 1.00 8.01 H new ATOM 0 HG21 VAL A 53 24.922 17.657 37.323 1.00 20.26 H new ATOM 0 HG22 VAL A 53 23.485 17.045 37.061 1.00 20.26 H new ATOM 0 HG23 VAL A 53 24.457 16.363 38.109 1.00 20.26 H new ATOM 416 N PRO A 54 23.969 13.284 34.009 1.00 19.05 N ATOM 417 CA PRO A 54 24.390 12.463 32.911 1.00 13.83 C ATOM 418 C PRO A 54 25.687 13.123 32.227 1.00 24.94 C ATOM 419 O PRO A 54 25.974 14.389 32.139 1.00 24.17 O ATOM 420 CB PRO A 54 23.253 12.277 31.870 1.00 5.95 C ATOM 421 CG PRO A 54 22.211 13.159 32.318 1.00 16.91 C ATOM 422 CD PRO A 54 22.644 13.695 33.717 1.00 18.65 C ATOM 0 HA PRO A 54 24.614 11.581 33.248 1.00 13.83 H new ATOM 0 HB2 PRO A 54 23.551 12.507 30.976 1.00 5.95 H new ATOM 0 HB3 PRO A 54 22.948 11.357 31.840 1.00 5.95 H new ATOM 0 HG2 PRO A 54 22.087 13.890 31.693 1.00 16.91 H new ATOM 0 HG3 PRO A 54 21.364 12.689 32.377 1.00 16.91 H new ATOM 0 HD2 PRO A 54 22.588 14.663 33.732 1.00 18.65 H new ATOM 0 HD3 PRO A 54 22.038 13.365 34.399 1.00 18.65 H new ATOM 423 N GLN A 55 26.503 12.292 31.849 1.00 12.39 N ATOM 424 CA GLN A 55 27.833 12.803 31.300 1.00 16.05 C ATOM 425 C GLN A 55 27.915 12.800 29.777 1.00 14.58 C ATOM 426 O GLN A 55 28.772 13.641 29.180 1.00 25.76 O ATOM 427 CB GLN A 55 28.877 12.023 31.933 1.00 20.12 C ATOM 428 CG GLN A 55 28.606 11.896 33.447 1.00 30.26 C ATOM 429 CD GLN A 55 29.808 11.432 34.140 1.00 50.31 C ATOM 430 OE1 GLN A 55 30.936 11.633 33.562 1.00 57.64 O ATOM 431 NE2 GLN A 55 29.667 11.299 35.445 1.00 54.31 N ATOM 0 H GLN A 55 26.399 11.438 31.863 1.00 12.39 H new ATOM 0 HA GLN A 55 27.937 13.743 31.517 1.00 16.05 H new ATOM 0 HB2 GLN A 55 28.920 11.141 31.531 1.00 20.12 H new ATOM 0 HB3 GLN A 55 29.738 12.444 31.786 1.00 20.12 H new ATOM 0 HG2 GLN A 55 28.329 12.754 33.806 1.00 30.26 H new ATOM 0 HG3 GLN A 55 27.876 11.275 33.601 1.00 30.26 H new ATOM 0 HE21 GLN A 55 28.887 11.166 35.782 1.00 54.31 H new ATOM 0 HE22 GLN A 55 30.355 11.346 35.959 1.00 54.31 H new ATOM 432 N ASN A 56 27.086 11.862 29.154 1.00 11.60 N ATOM 433 CA ASN A 56 27.080 11.741 27.689 1.00 14.04 C ATOM 434 C ASN A 56 25.685 11.798 27.099 1.00 11.90 C ATOM 435 O ASN A 56 25.205 10.963 26.221 1.00 16.61 O ATOM 436 CB ASN A 56 27.562 10.413 27.235 1.00 12.15 C ATOM 437 CG ASN A 56 29.037 10.417 27.633 1.00 30.77 C ATOM 438 OD1 ASN A 56 29.289 9.974 28.768 1.00 18.99 O ATOM 439 ND2 ASN A 56 29.884 11.346 27.004 1.00 21.79 N ATOM 0 H ASN A 56 26.556 11.326 29.567 1.00 11.60 H new ATOM 0 HA ASN A 56 27.642 12.478 27.403 1.00 14.04 H new ATOM 0 HB2 ASN A 56 27.078 9.691 27.665 1.00 12.15 H new ATOM 0 HB3 ASN A 56 27.450 10.300 26.278 1.00 12.15 H new ATOM 0 HD21 ASN A 56 30.594 11.620 27.404 1.00 21.79 H new ATOM 0 HD22 ASN A 56 29.692 11.640 26.219 1.00 21.79 H new ATOM 440 N ASN A 57 25.062 12.762 27.566 1.00 10.90 N ATOM 441 CA ASN A 57 23.711 12.960 27.110 1.00 8.97 C ATOM 442 C ASN A 57 23.784 14.127 26.120 1.00 6.15 C ATOM 443 O ASN A 57 24.268 15.298 26.496 1.00 18.19 O ATOM 444 CB ASN A 57 22.842 13.255 28.319 1.00 9.76 C ATOM 445 CG ASN A 57 21.382 13.263 27.874 1.00 13.94 C ATOM 446 OD1 ASN A 57 21.084 14.274 27.264 1.00 17.15 O ATOM 447 ND2 ASN A 57 20.479 12.422 28.548 1.00 16.09 N ATOM 0 H ASN A 57 25.360 13.329 28.140 1.00 10.90 H new ATOM 0 HA ASN A 57 23.321 12.189 26.670 1.00 8.97 H new ATOM 0 HB2 ASN A 57 22.981 12.585 29.006 1.00 9.76 H new ATOM 0 HB3 ASN A 57 23.082 14.112 28.706 1.00 9.76 H new ATOM 0 HD21 ASN A 57 19.639 12.607 28.550 1.00 16.09 H new ATOM 0 HD22 ASN A 57 20.767 11.723 28.958 1.00 16.09 H new ATOM 448 N PRO A 58 23.373 13.816 24.898 1.00 18.62 N ATOM 449 CA PRO A 58 23.527 14.794 23.791 1.00 19.60 C ATOM 450 C PRO A 58 22.659 15.914 23.943 1.00 17.61 C ATOM 451 O PRO A 58 23.023 17.032 23.378 1.00 15.60 O ATOM 452 CB PRO A 58 23.135 14.010 22.493 1.00 16.38 C ATOM 453 CG PRO A 58 22.579 12.556 22.905 1.00 11.82 C ATOM 454 CD PRO A 58 22.785 12.457 24.423 1.00 22.05 C ATOM 0 HA PRO A 58 24.431 15.144 23.769 1.00 19.60 H new ATOM 0 HB2 PRO A 58 22.459 14.499 21.998 1.00 16.38 H new ATOM 0 HB3 PRO A 58 23.905 13.921 21.910 1.00 16.38 H new ATOM 0 HG2 PRO A 58 21.642 12.461 22.672 1.00 11.82 H new ATOM 0 HG3 PRO A 58 23.060 11.853 22.440 1.00 11.82 H new ATOM 0 HD2 PRO A 58 21.945 12.272 24.871 1.00 22.05 H new ATOM 0 HD3 PRO A 58 23.388 11.729 24.640 1.00 22.05 H new ATOM 455 N GLU A 59 21.536 15.622 24.651 1.00 14.34 N ATOM 456 CA GLU A 59 20.665 16.652 24.872 1.00 16.54 C ATOM 457 C GLU A 59 21.380 17.723 25.804 1.00 12.33 C ATOM 458 O GLU A 59 21.459 18.952 25.513 1.00 14.78 O ATOM 459 CB GLU A 59 19.314 16.086 25.544 1.00 11.13 C ATOM 460 CG GLU A 59 18.182 15.582 24.546 1.00 51.95 C ATOM 461 CD GLU A 59 16.843 15.705 25.232 1.00 67.33 C ATOM 462 OE1 GLU A 59 16.561 16.871 25.443 1.00 57.59 O ATOM 463 OE2 GLU A 59 16.296 14.750 25.960 1.00 55.02 O ATOM 0 H GLU A 59 21.319 14.855 24.973 1.00 14.34 H new ATOM 0 HA GLU A 59 20.418 17.080 24.037 1.00 16.54 H new ATOM 0 HB2 GLU A 59 19.552 15.350 26.130 1.00 11.13 H new ATOM 0 HB3 GLU A 59 18.937 16.784 26.103 1.00 11.13 H new ATOM 0 HG2 GLU A 59 18.192 16.109 23.732 1.00 51.95 H new ATOM 0 HG3 GLU A 59 18.345 14.661 24.290 1.00 51.95 H new ATOM 464 N LEU A 60 21.923 17.227 26.849 1.00 8.64 N ATOM 465 CA LEU A 60 22.710 18.098 27.827 1.00 9.64 C ATOM 466 C LEU A 60 23.901 18.975 27.151 1.00 12.29 C ATOM 467 O LEU A 60 24.150 20.221 27.395 1.00 13.60 O ATOM 468 CB LEU A 60 23.189 17.215 28.948 1.00 21.62 C ATOM 469 CG LEU A 60 23.924 18.002 30.134 1.00 8.70 C ATOM 470 CD1 LEU A 60 23.686 17.182 31.436 1.00 6.75 C ATOM 471 CD2 LEU A 60 25.459 18.433 29.896 1.00 7.34 C ATOM 0 H LEU A 60 21.883 16.395 27.064 1.00 8.64 H new ATOM 0 HA LEU A 60 22.116 18.783 28.172 1.00 9.64 H new ATOM 0 HB2 LEU A 60 22.431 16.734 29.314 1.00 21.62 H new ATOM 0 HB3 LEU A 60 23.798 16.552 28.587 1.00 21.62 H new ATOM 0 HG LEU A 60 23.524 18.884 30.195 1.00 8.70 H new ATOM 0 HD11 LEU A 60 24.117 17.627 32.182 1.00 6.75 H new ATOM 0 HD12 LEU A 60 22.734 17.115 31.607 1.00 6.75 H new ATOM 0 HD13 LEU A 60 24.059 16.293 31.331 1.00 6.75 H new ATOM 0 HD21 LEU A 60 25.790 18.899 30.680 1.00 7.34 H new ATOM 0 HD22 LEU A 60 25.997 17.641 29.740 1.00 7.34 H new ATOM 0 HD23 LEU A 60 25.515 19.019 29.125 1.00 7.34 H new ATOM 472 N GLN A 61 24.599 18.326 26.327 1.00 10.29 N ATOM 473 CA GLN A 61 25.816 19.004 25.660 1.00 5.50 C ATOM 474 C GLN A 61 25.519 20.076 24.675 1.00 10.81 C ATOM 475 O GLN A 61 26.247 21.220 24.685 1.00 7.42 O ATOM 476 CB GLN A 61 26.568 17.969 24.951 1.00 3.19 C ATOM 477 CG GLN A 61 27.182 17.110 25.997 1.00 4.72 C ATOM 478 CD GLN A 61 27.836 16.011 25.310 1.00 12.78 C ATOM 479 OE1 GLN A 61 28.253 15.120 26.017 1.00 16.50 O ATOM 480 NE2 GLN A 61 27.525 15.843 24.040 1.00 11.08 N ATOM 0 H GLN A 61 24.456 17.511 26.093 1.00 10.29 H new ATOM 0 HA GLN A 61 26.296 19.434 26.385 1.00 5.50 H new ATOM 0 HB2 GLN A 61 25.984 17.450 24.376 1.00 3.19 H new ATOM 0 HB3 GLN A 61 27.249 18.363 24.383 1.00 3.19 H new ATOM 0 HG2 GLN A 61 27.821 17.614 26.524 1.00 4.72 H new ATOM 0 HG3 GLN A 61 26.507 16.779 26.610 1.00 4.72 H new ATOM 0 HE21 GLN A 61 27.232 16.506 23.578 1.00 11.08 H new ATOM 0 HE22 GLN A 61 27.615 15.070 23.674 1.00 11.08 H new ATOM 481 N ALA A 62 24.431 19.724 23.934 1.00 9.44 N ATOM 482 CA ALA A 62 23.991 20.654 22.956 1.00 17.17 C ATOM 483 C ALA A 62 23.456 21.843 23.606 1.00 16.97 C ATOM 484 O ALA A 62 23.849 23.015 23.175 1.00 17.23 O ATOM 485 CB ALA A 62 22.924 19.923 21.994 1.00 10.52 C ATOM 0 H ALA A 62 23.983 18.993 24.000 1.00 9.44 H new ATOM 0 HA ALA A 62 24.729 20.954 22.403 1.00 17.17 H new ATOM 0 HB1 ALA A 62 22.614 20.548 21.320 1.00 10.52 H new ATOM 0 HB2 ALA A 62 23.345 19.164 21.561 1.00 10.52 H new ATOM 0 HB3 ALA A 62 22.169 19.617 22.521 1.00 10.52 H new ATOM 486 N HIS A 63 22.676 21.558 24.661 1.00 9.46 N ATOM 487 CA HIS A 63 22.173 22.616 25.446 1.00 12.63 C ATOM 488 C HIS A 63 23.334 23.641 26.001 1.00 17.27 C ATOM 489 O HIS A 63 23.387 24.885 25.768 1.00 13.78 O ATOM 490 CB HIS A 63 21.317 21.949 26.618 1.00 4.96 C ATOM 491 CG HIS A 63 20.795 22.974 27.561 1.00 15.26 C ATOM 492 ND1 HIS A 63 19.459 23.213 27.502 1.00 26.08 N ATOM 493 CD2 HIS A 63 21.435 23.724 28.556 1.00 23.59 C ATOM 494 CE1 HIS A 63 19.297 24.153 28.501 1.00 21.39 C ATOM 495 NE2 HIS A 63 20.542 24.481 29.155 1.00 14.09 N ATOM 0 H HIS A 63 22.447 20.768 24.911 1.00 9.46 H new ATOM 0 HA HIS A 63 21.615 23.193 24.901 1.00 12.63 H new ATOM 0 HB2 HIS A 63 20.577 21.451 26.237 1.00 4.96 H new ATOM 0 HB3 HIS A 63 21.868 21.313 27.101 1.00 4.96 H new ATOM 0 HD2 HIS A 63 22.342 23.692 28.759 1.00 23.59 H new ATOM 0 HE1 HIS A 63 18.478 24.532 28.727 1.00 21.39 H new ATOM 0 HE2 HIS A 63 20.670 25.044 29.792 1.00 14.09 H new ATOM 496 N ALA A 64 24.192 23.119 26.772 1.00 14.83 N ATOM 497 CA ALA A 64 25.301 23.968 27.469 1.00 12.57 C ATOM 498 C ALA A 64 26.324 24.737 26.507 1.00 12.87 C ATOM 499 O ALA A 64 26.756 25.964 26.720 1.00 15.73 O ATOM 500 CB ALA A 64 26.013 23.141 28.470 1.00 5.07 C ATOM 0 H ALA A 64 24.220 22.280 26.959 1.00 14.83 H new ATOM 0 HA ALA A 64 24.824 24.693 27.902 1.00 12.57 H new ATOM 0 HB1 ALA A 64 26.701 23.673 28.900 1.00 5.07 H new ATOM 0 HB2 ALA A 64 25.383 22.827 29.138 1.00 5.07 H new ATOM 0 HB3 ALA A 64 26.422 22.380 28.029 1.00 5.07 H new ATOM 501 N GLY A 65 26.518 24.099 25.386 1.00 9.58 N ATOM 502 CA GLY A 65 27.341 24.751 24.284 1.00 12.57 C ATOM 503 C GLY A 65 26.802 25.989 23.731 1.00 34.88 C ATOM 504 O GLY A 65 27.615 27.055 23.511 1.00 17.39 O ATOM 0 H GLY A 65 26.213 23.316 25.205 1.00 9.58 H new ATOM 0 HA2 GLY A 65 28.228 24.932 24.631 1.00 12.57 H new ATOM 0 HA3 GLY A 65 27.444 24.113 23.561 1.00 12.57 H new ATOM 505 N LYS A 66 25.470 25.862 23.575 1.00 22.61 N ATOM 506 CA LYS A 66 24.788 26.971 23.070 1.00 7.88 C ATOM 507 C LYS A 66 24.888 28.152 24.043 1.00 13.50 C ATOM 508 O LYS A 66 24.998 29.337 23.589 1.00 18.45 O ATOM 509 CB LYS A 66 23.275 26.495 22.776 1.00 13.69 C ATOM 510 CG LYS A 66 23.063 25.484 21.608 1.00 56.29 C ATOM 511 CD LYS A 66 21.588 24.762 21.490 1.00 60.26 C ATOM 512 CE LYS A 66 20.587 25.722 21.099 1.00 63.51 C ATOM 513 NZ LYS A 66 19.240 24.935 20.870 0.00 0.00 N ATOM 0 H LYS A 66 24.998 25.166 23.755 1.00 22.61 H new ATOM 0 HA LYS A 66 25.178 27.295 22.243 1.00 7.88 H new ATOM 0 HB2 LYS A 66 22.922 26.097 23.587 1.00 13.69 H new ATOM 0 HB3 LYS A 66 22.742 27.284 22.592 1.00 13.69 H new ATOM 0 HG2 LYS A 66 23.237 25.948 20.774 1.00 56.29 H new ATOM 0 HG3 LYS A 66 23.732 24.787 21.690 1.00 56.29 H new ATOM 0 HD2 LYS A 66 21.625 24.042 20.841 1.00 60.26 H new ATOM 0 HD3 LYS A 66 21.347 24.364 22.341 1.00 60.26 H new ATOM 0 HE2 LYS A 66 20.475 26.397 21.786 1.00 63.51 H new ATOM 0 HE3 LYS A 66 20.855 26.183 20.289 1.00 63.51 H new ATOM 0 HZ1 LYS A 66 18.601 25.505 20.627 0.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.356 24.328 20.229 0.00 0.00 H new ATOM 0 HZ3 LYS A 66 19.002 24.528 21.625 0.00 0.00 H new ATOM 514 N VAL A 67 24.788 27.820 25.326 1.00 10.56 N ATOM 515 CA VAL A 67 24.886 28.874 26.367 1.00 16.41 C ATOM 516 C VAL A 67 26.244 29.798 26.300 1.00 13.73 C ATOM 517 O VAL A 67 26.296 31.059 26.192 1.00 16.02 O ATOM 518 CB VAL A 67 24.694 28.265 27.787 1.00 20.01 C ATOM 519 CG1 VAL A 67 24.972 29.360 28.885 1.00 13.27 C ATOM 520 CG2 VAL A 67 23.282 27.421 27.970 1.00 20.57 C ATOM 0 H VAL A 67 24.667 27.021 25.621 1.00 10.56 H new ATOM 0 HA VAL A 67 24.161 29.488 26.173 1.00 16.41 H new ATOM 0 HB VAL A 67 25.360 27.571 27.913 1.00 20.01 H new ATOM 0 HG11 VAL A 67 24.850 28.973 29.766 1.00 13.27 H new ATOM 0 HG12 VAL A 67 25.882 29.683 28.797 1.00 13.27 H new ATOM 0 HG13 VAL A 67 24.355 30.099 28.769 1.00 13.27 H new ATOM 0 HG21 VAL A 67 23.228 27.071 28.873 1.00 20.57 H new ATOM 0 HG22 VAL A 67 22.529 28.010 27.807 1.00 20.57 H new ATOM 0 HG23 VAL A 67 23.260 26.686 27.337 1.00 20.57 H new ATOM 521 N PHE A 68 27.298 29.158 26.246 1.00 12.17 N ATOM 522 CA PHE A 68 28.682 29.894 26.204 1.00 9.71 C ATOM 523 C PHE A 68 28.988 30.665 24.902 1.00 10.49 C ATOM 524 O PHE A 68 29.673 31.829 24.924 1.00 21.67 O ATOM 525 CB PHE A 68 29.724 28.933 26.423 1.00 3.30 C ATOM 526 CG PHE A 68 29.872 28.607 27.916 1.00 18.37 C ATOM 527 CD1 PHE A 68 30.974 29.237 28.621 1.00 15.39 C ATOM 528 CD2 PHE A 68 28.924 27.672 28.545 1.00 10.04 C ATOM 529 CE1 PHE A 68 31.133 28.936 29.962 1.00 9.34 C ATOM 530 CE2 PHE A 68 29.072 27.362 29.883 1.00 10.22 C ATOM 531 CZ PHE A 68 30.180 27.994 30.594 1.00 20.61 C ATOM 0 H PHE A 68 27.345 28.299 26.228 1.00 12.17 H new ATOM 0 HA PHE A 68 28.638 30.566 26.902 1.00 9.71 H new ATOM 0 HB2 PHE A 68 29.528 28.121 25.930 1.00 3.30 H new ATOM 0 HB3 PHE A 68 30.563 29.278 26.080 1.00 3.30 H new ATOM 0 HD1 PHE A 68 31.552 29.822 28.187 1.00 15.39 H new ATOM 0 HD2 PHE A 68 28.234 27.295 28.048 1.00 10.04 H new ATOM 0 HE1 PHE A 68 31.823 29.317 30.456 1.00 9.34 H new ATOM 0 HE2 PHE A 68 28.491 26.776 30.312 1.00 10.22 H new ATOM 0 HZ PHE A 68 30.294 27.794 31.495 1.00 20.61 H new ATOM 532 N LYS A 69 28.421 30.066 23.834 1.00 6.85 N ATOM 533 CA LYS A 69 28.634 30.722 22.535 1.00 5.76 C ATOM 534 C LYS A 69 27.985 32.000 22.457 1.00 7.57 C ATOM 535 O LYS A 69 28.601 33.022 21.874 1.00 13.46 O ATOM 536 CB LYS A 69 28.095 29.778 21.380 1.00 11.72 C ATOM 537 CG LYS A 69 28.693 30.340 20.037 1.00 14.40 C ATOM 538 CD LYS A 69 27.806 29.782 18.849 1.00 43.70 C ATOM 539 CE LYS A 69 26.375 30.158 18.989 1.00 61.76 C ATOM 540 NZ LYS A 69 25.599 29.825 17.756 0.00 0.00 N ATOM 0 H LYS A 69 27.952 29.345 23.836 1.00 6.85 H new ATOM 0 HA LYS A 69 29.586 30.875 22.433 1.00 5.76 H new ATOM 0 HB2 LYS A 69 28.373 28.860 21.525 1.00 11.72 H new ATOM 0 HB3 LYS A 69 27.125 29.780 21.355 1.00 11.72 H new ATOM 0 HG2 LYS A 69 28.687 31.310 20.041 1.00 14.40 H new ATOM 0 HG3 LYS A 69 29.617 30.062 19.932 1.00 14.40 H new ATOM 0 HD2 LYS A 69 28.147 30.122 18.007 1.00 43.70 H new ATOM 0 HD3 LYS A 69 27.883 28.816 18.817 1.00 43.70 H new ATOM 0 HE2 LYS A 69 25.990 29.695 19.750 1.00 61.76 H new ATOM 0 HE3 LYS A 69 26.305 31.108 19.170 1.00 61.76 H new ATOM 0 HZ1 LYS A 69 24.748 30.060 17.868 0.00 0.00 H new ATOM 0 HZ2 LYS A 69 25.940 30.266 17.062 0.00 0.00 H new ATOM 0 HZ3 LYS A 69 25.647 28.950 17.602 0.00 0.00 H new ATOM 541 N LEU A 70 26.818 31.956 23.082 1.00 7.00 N ATOM 542 CA LEU A 70 26.098 33.130 23.113 1.00 14.46 C ATOM 543 C LEU A 70 26.829 34.286 23.953 1.00 17.78 C ATOM 544 O LEU A 70 26.922 35.476 23.522 1.00 14.41 O ATOM 545 CB LEU A 70 24.635 32.759 23.622 1.00 8.38 C ATOM 546 CG LEU A 70 23.690 32.008 22.558 1.00 11.65 C ATOM 547 CD1 LEU A 70 22.297 31.453 23.155 1.00 20.30 C ATOM 548 CD2 LEU A 70 23.550 32.910 21.332 1.00 17.22 C ATOM 0 H LEU A 70 26.467 31.273 23.468 1.00 7.00 H new ATOM 0 HA LEU A 70 26.034 33.523 22.229 1.00 14.46 H new ATOM 0 HB2 LEU A 70 24.718 32.197 24.408 1.00 8.38 H new ATOM 0 HB3 LEU A 70 24.192 33.575 23.902 1.00 8.38 H new ATOM 0 HG LEU A 70 24.117 31.179 22.292 1.00 11.65 H new ATOM 0 HD11 LEU A 70 21.793 31.017 22.450 1.00 20.30 H new ATOM 0 HD12 LEU A 70 22.479 30.815 23.863 1.00 20.30 H new ATOM 0 HD13 LEU A 70 21.780 32.192 23.512 1.00 20.30 H new ATOM 0 HD21 LEU A 70 22.983 32.477 20.675 1.00 17.22 H new ATOM 0 HD22 LEU A 70 23.153 33.755 21.595 1.00 17.22 H new ATOM 0 HD23 LEU A 70 24.426 33.071 20.947 1.00 17.22 H new ATOM 549 N VAL A 71 27.386 33.941 25.071 1.00 8.43 N ATOM 550 CA VAL A 71 28.169 34.989 25.908 1.00 9.60 C ATOM 551 C VAL A 71 29.472 35.644 25.228 1.00 23.95 C ATOM 552 O VAL A 71 29.784 36.911 25.208 1.00 14.28 O ATOM 553 CB VAL A 71 28.441 34.452 27.311 1.00 12.38 C ATOM 554 CG1 VAL A 71 29.344 35.526 28.151 1.00 9.17 C ATOM 555 CG2 VAL A 71 27.102 33.944 28.049 1.00 4.44 C ATOM 0 H VAL A 71 27.361 33.150 25.407 1.00 8.43 H new ATOM 0 HA VAL A 71 27.573 35.752 25.960 1.00 9.60 H new ATOM 0 HB VAL A 71 28.974 33.644 27.250 1.00 12.38 H new ATOM 0 HG11 VAL A 71 29.514 35.180 29.041 1.00 9.17 H new ATOM 0 HG12 VAL A 71 30.187 35.668 27.693 1.00 9.17 H new ATOM 0 HG13 VAL A 71 28.867 36.368 28.217 1.00 9.17 H new ATOM 0 HG21 VAL A 71 27.325 33.613 28.933 1.00 4.44 H new ATOM 0 HG22 VAL A 71 26.476 34.681 28.128 1.00 4.44 H new ATOM 0 HG23 VAL A 71 26.697 33.231 27.531 1.00 4.44 H new ATOM 556 N TYR A 72 30.075 34.815 24.502 1.00 18.59 N ATOM 557 CA TYR A 72 31.270 35.278 23.675 1.00 15.24 C ATOM 558 C TYR A 72 30.961 36.188 22.522 1.00 15.62 C ATOM 559 O TYR A 72 31.727 37.287 22.303 1.00 20.09 O ATOM 560 CB TYR A 72 31.900 34.033 23.203 1.00 11.38 C ATOM 561 CG TYR A 72 32.694 34.241 21.880 1.00 4.64 C ATOM 562 CD1 TYR A 72 32.129 33.622 20.738 1.00 20.64 C ATOM 563 CD2 TYR A 72 33.940 35.048 21.823 1.00 8.42 C ATOM 564 CE1 TYR A 72 32.799 33.822 19.526 1.00 23.26 C ATOM 565 CE2 TYR A 72 34.618 35.253 20.612 1.00 14.00 C ATOM 566 CZ TYR A 72 34.042 34.641 19.466 1.00 15.69 C ATOM 567 OH TYR A 72 34.731 34.853 18.211 1.00 30.03 O ATOM 0 H TYR A 72 29.871 33.983 24.425 1.00 18.59 H new ATOM 0 HA TYR A 72 31.842 35.830 24.231 1.00 15.24 H new ATOM 0 HB2 TYR A 72 32.498 33.695 23.888 1.00 11.38 H new ATOM 0 HB3 TYR A 72 31.217 33.358 23.066 1.00 11.38 H new ATOM 0 HD1 TYR A 72 31.354 33.110 20.791 1.00 20.64 H new ATOM 0 HD2 TYR A 72 34.277 35.424 22.604 1.00 8.42 H new ATOM 0 HE1 TYR A 72 32.464 33.439 18.748 1.00 23.26 H new ATOM 0 HE2 TYR A 72 35.397 35.759 20.562 1.00 14.00 H new ATOM 0 HH TYR A 72 35.408 35.333 18.341 1.00 30.03 H new ATOM 568 N GLU A 73 29.829 35.797 21.861 1.00 12.57 N ATOM 569 CA GLU A 73 29.441 36.609 20.749 1.00 14.66 C ATOM 570 C GLU A 73 29.075 37.959 21.206 1.00 11.32 C ATOM 571 O GLU A 73 29.431 38.994 20.503 1.00 15.96 O ATOM 572 CB GLU A 73 28.269 35.831 19.938 1.00 15.74 C ATOM 573 CG GLU A 73 28.719 34.639 19.176 1.00 26.38 C ATOM 574 CD GLU A 73 27.535 33.932 18.352 1.00 46.25 C ATOM 575 OE1 GLU A 73 27.740 33.078 17.485 1.00 37.21 O ATOM 576 OE2 GLU A 73 26.338 34.077 18.637 1.00 38.52 O ATOM 0 H GLU A 73 29.332 35.119 22.044 1.00 12.57 H new ATOM 0 HA GLU A 73 30.176 36.745 20.131 1.00 14.66 H new ATOM 0 HB2 GLU A 73 27.585 35.556 20.569 1.00 15.74 H new ATOM 0 HB3 GLU A 73 27.852 36.454 19.322 1.00 15.74 H new ATOM 0 HG2 GLU A 73 29.421 34.902 18.561 1.00 26.38 H new ATOM 0 HG3 GLU A 73 29.106 33.996 19.791 1.00 26.38 H new ATOM 577 N ALA A 74 28.489 37.939 22.391 1.00 6.16 N ATOM 578 CA ALA A 74 28.141 39.160 23.029 1.00 13.63 C ATOM 579 C ALA A 74 29.403 40.183 23.294 1.00 13.56 C ATOM 580 O ALA A 74 29.403 41.421 23.082 1.00 11.27 O ATOM 581 CB ALA A 74 27.418 38.803 24.372 1.00 14.47 C ATOM 0 H ALA A 74 28.291 37.226 22.830 1.00 6.16 H new ATOM 0 HA ALA A 74 27.560 39.652 22.428 1.00 13.63 H new ATOM 0 HB1 ALA A 74 27.167 39.620 24.832 1.00 14.47 H new ATOM 0 HB2 ALA A 74 26.622 38.282 24.183 1.00 14.47 H new ATOM 0 HB3 ALA A 74 28.016 38.286 24.934 1.00 14.47 H new ATOM 582 N ALA A 75 30.445 39.645 23.716 1.00 12.58 N ATOM 583 CA ALA A 75 31.746 40.469 24.033 1.00 7.74 C ATOM 584 C ALA A 75 32.420 41.160 22.798 1.00 7.38 C ATOM 585 O ALA A 75 33.002 42.365 22.859 1.00 17.66 O ATOM 586 CB ALA A 75 32.714 39.603 24.683 1.00 6.71 C ATOM 0 H ALA A 75 30.520 38.800 23.860 1.00 12.58 H new ATOM 0 HA ALA A 75 31.459 41.193 24.611 1.00 7.74 H new ATOM 0 HB1 ALA A 75 33.519 40.108 24.880 1.00 6.71 H new ATOM 0 HB2 ALA A 75 32.338 39.259 25.508 1.00 6.71 H new ATOM 0 HB3 ALA A 75 32.933 38.863 24.095 1.00 6.71 H new ATOM 587 N ILE A 76 32.293 40.423 21.711 1.00 16.84 N ATOM 588 CA ILE A 76 32.868 40.983 20.449 1.00 11.10 C ATOM 589 C ILE A 76 32.052 42.029 19.906 1.00 24.17 C ATOM 590 O ILE A 76 32.645 43.168 19.539 1.00 13.47 O ATOM 591 CB ILE A 76 32.935 39.854 19.410 1.00 16.73 C ATOM 592 CG1 ILE A 76 33.727 38.756 19.948 1.00 12.54 C ATOM 593 CG2 ILE A 76 33.504 40.420 18.058 1.00 10.82 C ATOM 594 CD1 ILE A 76 35.228 39.303 20.217 1.00 10.64 C ATOM 0 H ILE A 76 31.913 39.654 21.656 1.00 16.84 H new ATOM 0 HA ILE A 76 33.743 41.348 20.652 1.00 11.10 H new ATOM 0 HB ILE A 76 32.051 39.504 19.219 1.00 16.73 H new ATOM 0 HG12 ILE A 76 33.334 38.426 20.771 1.00 12.54 H new ATOM 0 HG13 ILE A 76 33.744 38.013 19.324 1.00 12.54 H new ATOM 0 HG21 ILE A 76 33.547 39.708 17.401 1.00 10.82 H new ATOM 0 HG22 ILE A 76 32.923 41.125 17.732 1.00 10.82 H new ATOM 0 HG23 ILE A 76 34.394 40.777 18.205 1.00 10.82 H new ATOM 0 HD11 ILE A 76 35.774 38.586 20.576 1.00 10.64 H new ATOM 0 HD12 ILE A 76 35.613 39.615 19.383 1.00 10.64 H new ATOM 0 HD13 ILE A 76 35.197 40.035 20.853 1.00 10.64 H new ATOM 595 N GLN A 77 30.729 41.712 20.027 1.00 4.96 N ATOM 596 CA GLN A 77 29.848 42.663 19.591 1.00 5.55 C ATOM 597 C GLN A 77 30.026 43.967 20.409 1.00 10.35 C ATOM 598 O GLN A 77 30.191 45.078 19.809 1.00 17.62 O ATOM 599 CB GLN A 77 28.359 41.986 19.515 1.00 10.70 C ATOM 600 CG GLN A 77 27.484 42.868 18.747 1.00 17.12 C ATOM 601 CD GLN A 77 26.109 42.028 18.472 1.00 23.74 C ATOM 602 OE1 GLN A 77 25.825 41.607 17.306 1.00 21.88 O ATOM 603 NE2 GLN A 77 25.446 41.550 19.546 1.00 7.41 N ATOM 0 H GLN A 77 30.398 40.985 20.345 1.00 4.96 H new ATOM 0 HA GLN A 77 30.018 42.965 18.685 1.00 5.55 H new ATOM 0 HB2 GLN A 77 28.408 41.112 19.096 1.00 10.70 H new ATOM 0 HB3 GLN A 77 28.004 41.853 20.408 1.00 10.70 H new ATOM 0 HG2 GLN A 77 27.298 43.684 19.238 1.00 17.12 H new ATOM 0 HG3 GLN A 77 27.903 43.129 17.912 1.00 17.12 H new ATOM 0 HE21 GLN A 77 25.640 41.836 20.333 1.00 7.41 H new ATOM 0 HE22 GLN A 77 24.830 40.959 19.443 1.00 7.41 H new ATOM 604 N LEU A 78 30.234 43.853 21.702 1.00 12.89 N ATOM 605 CA LEU A 78 30.572 45.053 22.566 1.00 13.22 C ATOM 606 C LEU A 78 31.886 45.931 22.150 1.00 9.98 C ATOM 607 O LEU A 78 31.959 47.194 22.094 1.00 20.01 O ATOM 608 CB LEU A 78 30.735 44.624 24.026 1.00 11.87 C ATOM 609 CG LEU A 78 29.383 44.319 24.772 1.00 14.70 C ATOM 610 CD1 LEU A 78 29.535 43.524 26.065 1.00 17.00 C ATOM 611 CD2 LEU A 78 28.792 45.626 25.057 1.00 4.99 C ATOM 0 H LEU A 78 30.193 43.108 22.130 1.00 12.89 H new ATOM 0 HA LEU A 78 29.814 45.642 22.423 1.00 13.22 H new ATOM 0 HB2 LEU A 78 31.295 43.832 24.058 1.00 11.87 H new ATOM 0 HB3 LEU A 78 31.205 45.323 24.506 1.00 11.87 H new ATOM 0 HG LEU A 78 28.832 43.756 24.207 1.00 14.70 H new ATOM 0 HD11 LEU A 78 28.661 43.379 26.461 1.00 17.00 H new ATOM 0 HD12 LEU A 78 29.948 42.668 25.872 1.00 17.00 H new ATOM 0 HD13 LEU A 78 30.092 44.019 26.686 1.00 17.00 H new ATOM 0 HD21 LEU A 78 27.948 45.506 25.520 1.00 4.99 H new ATOM 0 HD22 LEU A 78 29.397 46.140 25.615 1.00 4.99 H new ATOM 0 HD23 LEU A 78 28.639 46.100 24.225 1.00 4.99 H new ATOM 612 N GLU A 79 32.872 45.266 21.823 1.00 12.18 N ATOM 613 CA GLU A 79 34.202 45.978 21.426 1.00 6.01 C ATOM 614 C GLU A 79 34.162 46.673 20.074 1.00 12.12 C ATOM 615 O GLU A 79 34.765 47.859 19.924 1.00 20.47 O ATOM 616 CB GLU A 79 35.259 45.005 21.436 1.00 17.01 C ATOM 617 CG GLU A 79 36.733 45.723 21.284 1.00 10.86 C ATOM 618 CD GLU A 79 37.242 45.559 19.862 1.00 30.80 C ATOM 619 OE1 GLU A 79 36.883 44.464 19.251 1.00 34.05 O ATOM 620 OE2 GLU A 79 37.686 46.602 19.198 1.00 34.80 O ATOM 0 H GLU A 79 32.895 44.407 21.792 1.00 12.18 H new ATOM 0 HA GLU A 79 34.351 46.681 22.078 1.00 6.01 H new ATOM 0 HB2 GLU A 79 35.227 44.498 22.262 1.00 17.01 H new ATOM 0 HB3 GLU A 79 35.128 44.374 20.711 1.00 17.01 H new ATOM 0 HG2 GLU A 79 36.668 46.665 21.506 1.00 10.86 H new ATOM 0 HG3 GLU A 79 37.361 45.327 21.909 1.00 10.86 H new ATOM 621 N VAL A 80 33.451 45.969 19.140 1.00 8.52 N ATOM 622 CA VAL A 80 33.321 46.511 17.790 1.00 17.93 C ATOM 623 C VAL A 80 32.394 47.587 17.707 1.00 25.28 C ATOM 624 O VAL A 80 32.702 48.591 16.950 1.00 23.46 O ATOM 625 CB VAL A 80 32.836 45.347 16.813 1.00 4.79 C ATOM 626 CG1 VAL A 80 32.556 45.854 15.398 1.00 12.29 C ATOM 627 CG2 VAL A 80 33.882 44.369 16.749 1.00 13.12 C ATOM 0 H VAL A 80 33.062 45.215 19.277 1.00 8.52 H new ATOM 0 HA VAL A 80 34.191 46.857 17.536 1.00 17.93 H new ATOM 0 HB VAL A 80 32.009 44.978 17.161 1.00 4.79 H new ATOM 0 HG11 VAL A 80 32.265 45.115 14.841 1.00 12.29 H new ATOM 0 HG12 VAL A 80 31.860 46.529 15.428 1.00 12.29 H new ATOM 0 HG13 VAL A 80 33.365 46.240 15.026 1.00 12.29 H new ATOM 0 HG21 VAL A 80 33.614 43.646 16.160 1.00 13.12 H new ATOM 0 HG22 VAL A 80 34.691 44.782 16.407 1.00 13.12 H new ATOM 0 HG23 VAL A 80 34.050 44.016 17.637 1.00 13.12 H new ATOM 628 N THR A 81 31.209 47.282 18.290 1.00 11.21 N ATOM 629 CA THR A 81 30.112 48.065 18.039 1.00 12.30 C ATOM 630 C THR A 81 29.853 48.962 19.205 1.00 4.89 C ATOM 631 O THR A 81 29.247 49.950 18.996 1.00 19.50 O ATOM 632 CB THR A 81 28.778 47.139 17.687 1.00 7.33 C ATOM 633 OG1 THR A 81 28.220 46.429 18.850 1.00 16.16 O ATOM 634 CG2 THR A 81 28.939 46.129 16.559 1.00 11.12 C ATOM 0 H THR A 81 31.076 46.619 18.822 1.00 11.21 H new ATOM 0 HA THR A 81 30.295 48.612 17.259 1.00 12.30 H new ATOM 0 HB THR A 81 28.162 47.824 17.383 1.00 7.33 H new ATOM 0 HG1 THR A 81 28.843 46.076 19.288 1.00 16.16 H new ATOM 0 HG21 THR A 81 28.107 45.645 16.437 1.00 11.12 H new ATOM 0 HG22 THR A 81 29.166 46.594 15.738 1.00 11.12 H new ATOM 0 HG23 THR A 81 29.647 45.504 16.782 1.00 11.12 H new ATOM 635 N GLY A 82 30.180 48.554 20.396 1.00 10.40 N ATOM 636 CA GLY A 82 29.914 49.283 21.620 1.00 9.63 C ATOM 637 C GLY A 82 28.634 48.659 22.354 1.00 10.25 C ATOM 638 O GLY A 82 28.329 49.133 23.458 1.00 16.46 O ATOM 0 H GLY A 82 30.584 47.807 20.532 1.00 10.40 H new ATOM 0 HA2 GLY A 82 30.686 49.241 22.206 1.00 9.63 H new ATOM 0 HA3 GLY A 82 29.759 50.220 21.422 1.00 9.63 H new ATOM 639 N VAL A 83 27.840 47.706 21.715 1.00 14.94 N ATOM 640 CA VAL A 83 26.556 47.068 22.304 1.00 20.27 C ATOM 641 C VAL A 83 26.348 45.523 22.212 1.00 15.65 C ATOM 642 O VAL A 83 26.951 44.964 21.318 1.00 18.30 O ATOM 643 CB VAL A 83 25.346 47.618 21.639 1.00 10.16 C ATOM 644 CG1 VAL A 83 25.398 49.153 21.824 1.00 12.92 C ATOM 645 CG2 VAL A 83 25.159 47.223 20.152 1.00 14.85 C ATOM 0 H VAL A 83 28.027 47.409 20.930 1.00 14.94 H new ATOM 0 HA VAL A 83 26.682 47.287 23.240 1.00 20.27 H new ATOM 0 HB VAL A 83 24.566 47.224 22.060 1.00 10.16 H new ATOM 0 HG11 VAL A 83 24.623 49.556 21.403 1.00 12.92 H new ATOM 0 HG12 VAL A 83 25.398 49.365 22.770 1.00 12.92 H new ATOM 0 HG13 VAL A 83 26.205 49.501 21.415 1.00 12.92 H new ATOM 0 HG21 VAL A 83 24.347 47.628 19.809 1.00 14.85 H new ATOM 0 HG22 VAL A 83 25.919 47.536 19.636 1.00 14.85 H new ATOM 0 HG23 VAL A 83 25.094 46.258 20.079 1.00 14.85 H new ATOM 646 N VAL A 84 25.288 44.902 22.865 1.00 18.99 N ATOM 647 CA VAL A 84 24.636 43.521 22.535 1.00 16.73 C ATOM 648 C VAL A 84 23.298 43.577 21.816 1.00 4.56 C ATOM 649 O VAL A 84 22.414 44.156 22.374 1.00 18.27 O ATOM 650 CB VAL A 84 24.377 42.629 23.799 1.00 19.70 C ATOM 651 CG1 VAL A 84 23.610 41.209 23.483 1.00 12.01 C ATOM 652 CG2 VAL A 84 25.691 42.524 24.564 1.00 17.41 C ATOM 0 H VAL A 84 24.906 45.277 23.538 1.00 18.99 H new ATOM 0 HA VAL A 84 25.311 43.143 21.950 1.00 16.73 H new ATOM 0 HB VAL A 84 23.723 43.053 24.377 1.00 19.70 H new ATOM 0 HG11 VAL A 84 23.487 40.717 24.310 1.00 12.01 H new ATOM 0 HG12 VAL A 84 22.745 41.390 23.083 1.00 12.01 H new ATOM 0 HG13 VAL A 84 24.145 40.681 22.870 1.00 12.01 H new ATOM 0 HG21 VAL A 84 25.563 41.976 25.354 1.00 17.41 H new ATOM 0 HG22 VAL A 84 26.365 42.119 23.996 1.00 17.41 H new ATOM 0 HG23 VAL A 84 25.983 43.410 24.829 1.00 17.41 H new ATOM 653 N VAL A 85 23.232 43.162 20.557 1.00 12.18 N ATOM 654 CA VAL A 85 22.051 43.207 19.690 1.00 18.80 C ATOM 655 C VAL A 85 20.907 42.048 19.970 1.00 17.62 C ATOM 656 O VAL A 85 21.098 40.845 19.812 1.00 19.67 O ATOM 657 CB VAL A 85 22.470 43.162 18.207 1.00 18.33 C ATOM 658 CG1 VAL A 85 21.271 43.138 17.231 1.00 19.31 C ATOM 659 CG2 VAL A 85 23.624 44.316 17.870 1.00 30.55 C ATOM 0 H VAL A 85 23.915 42.825 20.158 1.00 12.18 H new ATOM 0 HA VAL A 85 21.625 44.049 19.912 1.00 18.80 H new ATOM 0 HB VAL A 85 22.900 42.306 18.051 1.00 18.33 H new ATOM 0 HG11 VAL A 85 21.597 43.110 16.318 1.00 19.31 H new ATOM 0 HG12 VAL A 85 20.728 42.353 17.404 1.00 19.31 H new ATOM 0 HG13 VAL A 85 20.734 43.936 17.358 1.00 19.31 H new ATOM 0 HG21 VAL A 85 23.869 44.265 16.933 1.00 30.55 H new ATOM 0 HG22 VAL A 85 23.267 45.197 18.063 1.00 30.55 H new ATOM 0 HG23 VAL A 85 24.409 44.158 18.418 1.00 30.55 H new ATOM 660 N THR A 86 19.752 42.397 20.358 1.00 25.00 N ATOM 661 CA THR A 86 18.557 41.374 20.576 1.00 34.69 C ATOM 662 C THR A 86 17.928 40.864 19.253 1.00 24.77 C ATOM 663 O THR A 86 17.361 41.648 18.542 1.00 39.99 O ATOM 664 CB THR A 86 17.457 41.965 21.357 1.00 49.57 C ATOM 665 OG1 THR A 86 18.041 42.803 22.433 1.00 40.42 O ATOM 666 CG2 THR A 86 16.348 40.841 21.876 1.00 40.10 C ATOM 0 H THR A 86 19.541 43.213 20.528 1.00 25.00 H new ATOM 0 HA THR A 86 18.969 40.635 21.050 1.00 34.69 H new ATOM 0 HB THR A 86 16.925 42.541 20.787 1.00 49.57 H new ATOM 0 HG1 THR A 86 17.424 43.148 22.886 1.00 40.42 H new ATOM 0 HG21 THR A 86 15.650 41.285 22.382 1.00 40.10 H new ATOM 0 HG22 THR A 86 15.956 40.394 21.109 1.00 40.10 H new ATOM 0 HG23 THR A 86 16.790 40.187 22.440 1.00 40.10 H new ATOM 667 N ASP A 87 18.052 39.620 18.915 1.00 26.12 N ATOM 668 CA ASP A 87 17.421 39.018 17.690 1.00 20.91 C ATOM 669 C ASP A 87 16.247 37.882 17.951 1.00 32.42 C ATOM 670 O ASP A 87 15.781 37.709 19.117 1.00 28.77 O ATOM 671 CB ASP A 87 18.465 38.559 16.733 1.00 16.97 C ATOM 672 CG ASP A 87 18.985 37.306 17.267 1.00 40.28 C ATOM 673 OD1 ASP A 87 18.815 36.975 18.476 1.00 41.95 O ATOM 674 OD2 ASP A 87 19.926 36.888 16.635 1.00 40.48 O ATOM 0 H ASP A 87 18.508 39.055 19.376 1.00 26.12 H new ATOM 0 HA ASP A 87 16.919 39.744 17.288 1.00 20.91 H new ATOM 0 HB2 ASP A 87 18.090 38.429 15.848 1.00 16.97 H new ATOM 0 HB3 ASP A 87 19.171 39.219 16.648 1.00 16.97 H new ATOM 675 N ALA A 88 15.778 37.158 16.905 1.00 27.81 N ATOM 676 CA ALA A 88 14.612 36.076 17.015 1.00 44.07 C ATOM 677 C ALA A 88 14.874 34.965 17.979 1.00 44.83 C ATOM 678 O ALA A 88 13.974 34.468 18.790 1.00 40.29 O ATOM 679 CB ALA A 88 14.225 35.444 15.640 1.00 40.08 C ATOM 0 H ALA A 88 16.088 37.242 16.107 1.00 27.81 H new ATOM 0 HA ALA A 88 13.873 36.603 17.356 1.00 44.07 H new ATOM 0 HB1 ALA A 88 13.514 34.797 15.770 1.00 40.08 H new ATOM 0 HB2 ALA A 88 13.921 36.141 15.037 1.00 40.08 H new ATOM 0 HB3 ALA A 88 14.999 35.002 15.258 1.00 40.08 H new ATOM 680 N THR A 89 16.109 34.675 17.924 1.00 25.48 N ATOM 681 CA THR A 89 16.592 33.661 18.776 1.00 41.71 C ATOM 682 C THR A 89 16.521 34.007 20.252 1.00 33.22 C ATOM 683 O THR A 89 16.059 33.122 21.092 1.00 30.69 O ATOM 684 CB THR A 89 18.066 33.585 18.392 1.00 43.53 C ATOM 685 OG1 THR A 89 18.092 33.165 17.024 1.00 50.76 O ATOM 686 CG2 THR A 89 18.736 32.625 19.292 1.00 32.82 C ATOM 0 H THR A 89 16.690 35.044 17.408 1.00 25.48 H new ATOM 0 HA THR A 89 16.070 32.850 18.671 1.00 41.71 H new ATOM 0 HB THR A 89 18.534 34.430 18.481 1.00 43.53 H new ATOM 0 HG1 THR A 89 18.888 33.109 16.763 1.00 50.76 H new ATOM 0 HG21 THR A 89 19.676 32.565 19.060 1.00 32.82 H new ATOM 0 HG22 THR A 89 18.648 32.926 20.210 1.00 32.82 H new ATOM 0 HG23 THR A 89 18.324 31.752 19.198 1.00 32.82 H new ATOM 687 N LEU A 90 16.939 35.269 20.551 1.00 22.59 N ATOM 688 CA LEU A 90 16.975 35.661 21.953 1.00 16.73 C ATOM 689 C LEU A 90 15.566 35.770 22.470 1.00 26.16 C ATOM 690 O LEU A 90 15.259 35.439 23.658 1.00 18.91 O ATOM 691 CB LEU A 90 17.946 36.992 22.188 1.00 19.22 C ATOM 692 CG LEU A 90 19.419 36.863 21.819 1.00 21.70 C ATOM 693 CD1 LEU A 90 20.383 38.193 22.078 1.00 34.89 C ATOM 694 CD2 LEU A 90 19.919 35.672 22.544 1.00 27.04 C ATOM 0 H LEU A 90 17.187 35.866 19.983 1.00 22.59 H new ATOM 0 HA LEU A 90 17.402 34.979 22.494 1.00 16.73 H new ATOM 0 HB2 LEU A 90 17.573 37.728 21.678 1.00 19.22 H new ATOM 0 HB3 LEU A 90 17.893 37.240 23.124 1.00 19.22 H new ATOM 0 HG LEU A 90 19.473 36.776 20.854 1.00 21.70 H new ATOM 0 HD11 LEU A 90 21.292 37.991 21.807 1.00 34.89 H new ATOM 0 HD12 LEU A 90 20.049 38.941 21.558 1.00 34.89 H new ATOM 0 HD13 LEU A 90 20.370 38.424 23.020 1.00 34.89 H new ATOM 0 HD21 LEU A 90 20.859 35.542 22.344 1.00 27.04 H new ATOM 0 HD22 LEU A 90 19.807 35.803 23.499 1.00 27.04 H new ATOM 0 HD23 LEU A 90 19.418 34.889 22.265 1.00 27.04 H new ATOM 695 N LYS A 91 14.723 36.120 21.561 1.00 25.48 N ATOM 696 CA LYS A 91 13.303 36.161 21.906 1.00 39.99 C ATOM 697 C LYS A 91 12.577 34.742 22.209 1.00 37.88 C ATOM 698 O LYS A 91 11.797 34.519 23.198 1.00 34.62 O ATOM 699 CB LYS A 91 12.539 36.771 20.776 1.00 32.65 C ATOM 700 CG LYS A 91 13.090 38.271 20.514 1.00 21.52 C ATOM 701 CD LYS A 91 12.057 38.981 19.756 0.00 0.00 C ATOM 702 CE LYS A 91 12.583 40.491 19.517 0.00 0.00 C ATOM 703 NZ LYS A 91 13.778 40.640 18.645 0.00 0.00 N ATOM 0 H LYS A 91 14.920 36.337 20.752 1.00 25.48 H new ATOM 0 HA LYS A 91 13.290 36.668 22.733 1.00 39.99 H new ATOM 0 HB2 LYS A 91 12.639 36.233 19.975 1.00 32.65 H new ATOM 0 HB3 LYS A 91 11.592 36.794 20.986 1.00 32.65 H new ATOM 0 HG2 LYS A 91 13.270 38.722 21.354 1.00 21.52 H new ATOM 0 HG3 LYS A 91 13.924 38.249 20.019 1.00 21.52 H new ATOM 0 HD2 LYS A 91 11.891 38.539 18.909 0.00 0.00 H new ATOM 0 HD3 LYS A 91 11.218 38.985 20.243 0.00 0.00 H new ATOM 0 HE2 LYS A 91 11.859 41.009 19.132 0.00 0.00 H new ATOM 0 HE3 LYS A 91 12.785 40.884 20.381 0.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.989 41.502 18.575 0.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.462 40.195 19.000 0.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.599 40.312 17.837 0.00 0.00 H new ATOM 704 N ASN A 92 12.931 33.811 21.422 1.00 17.08 N ATOM 705 CA ASN A 92 12.366 32.388 21.585 1.00 14.94 C ATOM 706 C ASN A 92 12.933 31.783 22.816 1.00 25.25 C ATOM 707 O ASN A 92 12.148 30.998 23.548 1.00 28.43 O ATOM 708 CB ASN A 92 12.635 31.568 20.343 1.00 33.56 C ATOM 709 CG ASN A 92 11.898 30.127 20.517 1.00 59.00 C ATOM 710 OD1 ASN A 92 10.626 29.920 20.489 1.00 54.33 O ATOM 711 ND2 ASN A 92 12.628 29.309 21.108 1.00 53.33 N ATOM 0 H ASN A 92 13.486 33.908 20.773 1.00 17.08 H new ATOM 0 HA ASN A 92 11.402 32.415 21.687 1.00 14.94 H new ATOM 0 HB2 ASN A 92 12.301 32.026 19.556 1.00 33.56 H new ATOM 0 HB3 ASN A 92 13.589 31.447 20.217 1.00 33.56 H new ATOM 0 HD21 ASN A 92 12.281 28.620 21.489 1.00 53.33 H new ATOM 0 HD22 ASN A 92 13.479 29.433 21.135 1.00 53.33 H new ATOM 712 N LEU A 93 14.204 32.284 23.109 1.00 20.53 N ATOM 713 CA LEU A 93 14.841 31.904 24.348 1.00 17.64 C ATOM 714 C LEU A 93 14.126 32.327 25.579 1.00 11.70 C ATOM 715 O LEU A 93 13.910 31.519 26.539 1.00 16.05 O ATOM 716 CB LEU A 93 16.358 32.466 24.479 1.00 23.97 C ATOM 717 CG LEU A 93 17.262 31.541 23.818 1.00 31.80 C ATOM 718 CD1 LEU A 93 18.770 32.037 24.106 1.00 39.64 C ATOM 719 CD2 LEU A 93 16.849 30.062 24.257 1.00 40.16 C ATOM 0 H LEU A 93 14.657 32.814 22.605 1.00 20.53 H new ATOM 0 HA LEU A 93 14.828 30.936 24.292 1.00 17.64 H new ATOM 0 HB2 LEU A 93 16.425 33.346 24.077 1.00 23.97 H new ATOM 0 HB3 LEU A 93 16.601 32.562 25.413 1.00 23.97 H new ATOM 0 HG LEU A 93 17.205 31.522 22.850 1.00 31.80 H new ATOM 0 HD11 LEU A 93 19.397 31.435 23.675 1.00 39.64 H new ATOM 0 HD12 LEU A 93 18.889 32.933 23.754 1.00 39.64 H new ATOM 0 HD13 LEU A 93 18.932 32.041 25.062 1.00 39.64 H new ATOM 0 HD21 LEU A 93 17.438 29.421 23.829 1.00 40.16 H new ATOM 0 HD22 LEU A 93 16.925 29.977 25.220 1.00 40.16 H new ATOM 0 HD23 LEU A 93 15.933 29.888 23.989 1.00 40.16 H new ATOM 720 N GLY A 94 13.695 33.501 25.501 1.00 22.34 N ATOM 721 CA GLY A 94 12.953 33.996 26.612 1.00 13.42 C ATOM 722 C GLY A 94 11.651 33.034 26.898 1.00 15.81 C ATOM 723 O GLY A 94 11.341 32.663 28.073 1.00 22.97 O ATOM 0 H GLY A 94 13.803 34.040 24.840 1.00 22.34 H new ATOM 0 HA2 GLY A 94 13.519 34.028 27.399 1.00 13.42 H new ATOM 0 HA3 GLY A 94 12.660 34.904 26.436 1.00 13.42 H new ATOM 724 N SER A 95 10.981 32.584 25.824 1.00 25.35 N ATOM 725 CA SER A 95 9.707 31.652 25.903 1.00 24.86 C ATOM 726 C SER A 95 9.880 30.304 26.538 1.00 25.50 C ATOM 727 O SER A 95 9.110 29.831 27.476 1.00 27.28 O ATOM 728 CB SER A 95 9.108 31.395 24.492 1.00 26.45 C ATOM 729 OG SER A 95 7.889 30.440 24.580 1.00 51.34 O ATOM 0 H SER A 95 11.209 32.780 25.018 1.00 25.35 H new ATOM 0 HA SER A 95 9.125 32.167 26.483 1.00 24.86 H new ATOM 0 HB2 SER A 95 8.837 32.236 24.092 1.00 26.45 H new ATOM 0 HB3 SER A 95 9.785 31.011 23.913 1.00 26.45 H new ATOM 0 HG SER A 95 7.577 30.313 23.811 1.00 51.34 H new ATOM 730 N VAL A 96 10.876 29.728 26.044 1.00 20.85 N ATOM 731 CA VAL A 96 11.148 28.413 26.542 1.00 11.95 C ATOM 732 C VAL A 96 11.538 28.405 28.015 1.00 28.57 C ATOM 733 O VAL A 96 11.029 27.429 28.737 1.00 23.70 O ATOM 734 CB VAL A 96 12.101 27.718 25.642 1.00 11.50 C ATOM 735 CG1 VAL A 96 13.277 28.684 25.030 1.00 45.59 C ATOM 736 CG2 VAL A 96 12.631 26.527 26.341 1.00 33.18 C ATOM 0 H VAL A 96 11.407 30.038 25.443 1.00 20.85 H new ATOM 0 HA VAL A 96 10.326 27.897 26.528 1.00 11.95 H new ATOM 0 HB VAL A 96 11.616 27.435 24.851 1.00 11.50 H new ATOM 0 HG11 VAL A 96 13.858 28.162 24.455 1.00 45.59 H new ATOM 0 HG12 VAL A 96 12.873 29.401 24.516 1.00 45.59 H new ATOM 0 HG13 VAL A 96 13.797 29.061 25.757 1.00 45.59 H new ATOM 0 HG21 VAL A 96 13.256 26.063 25.762 1.00 33.18 H new ATOM 0 HG22 VAL A 96 13.086 26.803 27.152 1.00 33.18 H new ATOM 0 HG23 VAL A 96 11.899 25.932 26.568 1.00 33.18 H new ATOM 737 N HIS A 97 12.252 29.518 28.494 1.00 14.11 N ATOM 738 CA HIS A 97 12.598 29.592 29.922 1.00 10.37 C ATOM 739 C HIS A 97 11.393 29.678 30.821 1.00 7.58 C ATOM 740 O HIS A 97 11.245 28.985 31.877 1.00 24.70 O ATOM 741 CB HIS A 97 13.735 30.765 30.238 1.00 18.67 C ATOM 742 CG HIS A 97 15.070 30.427 29.670 1.00 19.78 C ATOM 743 ND1 HIS A 97 15.527 30.849 28.399 1.00 30.26 N ATOM 744 CD2 HIS A 97 15.930 29.677 30.197 1.00 12.42 C ATOM 745 CE1 HIS A 97 16.724 30.334 28.136 1.00 16.61 C ATOM 746 NE2 HIS A 97 16.971 29.602 29.276 1.00 7.13 N ATOM 0 H HIS A 97 12.514 30.182 28.014 1.00 14.11 H new ATOM 0 HA HIS A 97 13.017 28.745 30.141 1.00 10.37 H new ATOM 0 HB2 HIS A 97 13.434 31.611 29.871 1.00 18.67 H new ATOM 0 HB3 HIS A 97 13.815 30.885 31.197 1.00 18.67 H new ATOM 0 HD1 HIS A 97 15.090 31.367 27.870 1.00 30.26 H new ATOM 0 HD2 HIS A 97 15.881 29.260 31.027 1.00 12.42 H new ATOM 0 HE1 HIS A 97 17.255 30.440 27.380 1.00 16.61 H new ATOM 747 N VAL A 98 10.548 30.460 30.376 1.00 12.90 N ATOM 748 CA VAL A 98 9.320 30.574 31.126 1.00 9.16 C ATOM 749 C VAL A 98 8.426 29.199 31.226 1.00 16.62 C ATOM 750 O VAL A 98 7.996 28.768 32.352 1.00 21.55 O ATOM 751 CB VAL A 98 8.555 31.635 30.477 1.00 9.34 C ATOM 752 CG1 VAL A 98 7.173 31.685 31.137 1.00 27.30 C ATOM 753 CG2 VAL A 98 9.419 33.038 30.544 1.00 15.24 C ATOM 0 H VAL A 98 10.617 30.942 29.667 1.00 12.90 H new ATOM 0 HA VAL A 98 9.542 30.768 32.050 1.00 9.16 H new ATOM 0 HB VAL A 98 8.404 31.473 29.532 1.00 9.34 H new ATOM 0 HG11 VAL A 98 6.642 32.384 30.724 1.00 27.30 H new ATOM 0 HG12 VAL A 98 6.728 30.831 31.022 1.00 27.30 H new ATOM 0 HG13 VAL A 98 7.273 31.872 32.083 1.00 27.30 H new ATOM 0 HG21 VAL A 98 8.917 33.748 30.115 1.00 15.24 H new ATOM 0 HG22 VAL A 98 9.583 33.273 31.471 1.00 15.24 H new ATOM 0 HG23 VAL A 98 10.266 32.919 30.086 1.00 15.24 H new ATOM 754 N SER A 99 8.349 28.469 30.121 1.00 20.82 N ATOM 755 CA SER A 99 7.581 27.094 30.061 1.00 27.77 C ATOM 756 C SER A 99 8.123 26.128 31.020 1.00 26.74 C ATOM 757 O SER A 99 7.325 25.184 31.548 1.00 34.87 O ATOM 758 CB SER A 99 7.604 26.493 28.645 1.00 19.10 C ATOM 759 OG SER A 99 7.015 27.320 27.710 1.00 52.19 O ATOM 0 H SER A 99 8.710 28.699 29.375 1.00 20.82 H new ATOM 0 HA SER A 99 6.660 27.281 30.302 1.00 27.77 H new ATOM 0 HB2 SER A 99 8.522 26.319 28.386 1.00 19.10 H new ATOM 0 HB3 SER A 99 7.145 25.639 28.652 1.00 19.10 H new ATOM 0 HG SER A 99 7.050 26.957 26.953 1.00 52.19 H new ATOM 760 N LYS A 100 9.444 26.321 31.161 1.00 24.15 N ATOM 761 CA LYS A 100 10.131 25.393 31.945 1.00 14.93 C ATOM 762 C LYS A 100 10.219 25.744 33.423 1.00 15.38 C ATOM 763 O LYS A 100 10.791 25.030 34.208 1.00 31.28 O ATOM 764 CB LYS A 100 11.569 25.351 31.406 1.00 20.55 C ATOM 765 CG LYS A 100 11.547 24.666 30.027 1.00 31.44 C ATOM 766 CD LYS A 100 10.859 23.180 30.080 1.00 43.56 C ATOM 767 CE LYS A 100 10.915 22.469 28.719 1.00 36.45 C ATOM 768 NZ LYS A 100 10.354 21.030 28.838 0.00 0.00 N ATOM 0 H LYS A 100 9.908 26.958 30.817 1.00 24.15 H new ATOM 0 HA LYS A 100 9.647 24.555 31.888 1.00 14.93 H new ATOM 0 HB2 LYS A 100 11.929 26.249 31.332 1.00 20.55 H new ATOM 0 HB3 LYS A 100 12.145 24.864 32.016 1.00 20.55 H new ATOM 0 HG2 LYS A 100 11.060 25.223 29.400 1.00 31.44 H new ATOM 0 HG3 LYS A 100 12.454 24.588 29.693 1.00 31.44 H new ATOM 0 HD2 LYS A 100 11.312 22.639 30.745 1.00 43.56 H new ATOM 0 HD3 LYS A 100 9.935 23.263 30.363 1.00 43.56 H new ATOM 0 HE2 LYS A 100 10.402 22.969 28.065 1.00 36.45 H new ATOM 0 HE3 LYS A 100 11.831 22.440 28.400 1.00 36.45 H new ATOM 0 HZ1 LYS A 100 10.392 20.630 28.044 0.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.839 20.570 29.425 0.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.508 21.063 29.113 0.00 0.00 H new ATOM 769 N GLY A 101 9.621 26.766 33.789 1.00 22.06 N ATOM 770 CA GLY A 101 9.595 27.185 35.193 1.00 15.42 C ATOM 771 C GLY A 101 10.950 27.930 35.687 1.00 20.59 C ATOM 772 O GLY A 101 11.206 27.991 36.918 1.00 21.30 O ATOM 0 H GLY A 101 9.191 27.286 33.256 1.00 22.06 H new ATOM 0 HA2 GLY A 101 8.842 27.781 35.329 1.00 15.42 H new ATOM 0 HA3 GLY A 101 9.444 26.406 35.750 1.00 15.42 H new ATOM 773 N VAL A 102 11.741 28.577 34.770 1.00 24.91 N ATOM 774 CA VAL A 102 13.002 29.460 35.126 1.00 14.52 C ATOM 775 C VAL A 102 12.722 30.866 35.511 1.00 10.50 C ATOM 776 O VAL A 102 11.971 31.440 34.773 1.00 25.31 O ATOM 777 CB VAL A 102 13.988 29.571 33.932 1.00 16.60 C ATOM 778 CG1 VAL A 102 15.338 30.499 34.219 1.00 11.49 C ATOM 779 CG2 VAL A 102 14.216 28.162 33.448 1.00 9.18 C ATOM 0 H VAL A 102 11.590 28.537 33.924 1.00 24.91 H new ATOM 0 HA VAL A 102 13.367 28.983 35.888 1.00 14.52 H new ATOM 0 HB VAL A 102 13.606 30.093 33.209 1.00 16.60 H new ATOM 0 HG11 VAL A 102 15.895 30.514 33.425 1.00 11.49 H new ATOM 0 HG12 VAL A 102 15.068 31.404 34.441 1.00 11.49 H new ATOM 0 HG13 VAL A 102 15.839 30.121 34.959 1.00 11.49 H new ATOM 0 HG21 VAL A 102 14.829 28.173 32.697 1.00 9.18 H new ATOM 0 HG22 VAL A 102 14.594 27.630 34.166 1.00 9.18 H new ATOM 0 HG23 VAL A 102 13.371 27.775 33.170 1.00 9.18 H new ATOM 780 N ALA A 103 13.262 31.393 36.628 1.00 9.12 N ATOM 781 CA ALA A 103 13.147 32.768 37.073 1.00 3.00 C ATOM 782 C ALA A 103 14.522 33.672 37.070 1.00 17.84 C ATOM 783 O ALA A 103 15.574 33.148 36.901 1.00 10.58 O ATOM 784 CB ALA A 103 12.552 32.729 38.493 1.00 11.01 C ATOM 0 H ALA A 103 13.731 30.916 37.168 1.00 9.12 H new ATOM 0 HA ALA A 103 12.586 33.218 36.422 1.00 3.00 H new ATOM 0 HB1 ALA A 103 12.458 33.634 38.830 1.00 11.01 H new ATOM 0 HB2 ALA A 103 11.681 32.302 38.468 1.00 11.01 H new ATOM 0 HB3 ALA A 103 13.141 32.227 39.077 1.00 11.01 H new ATOM 785 N ASP A 104 14.506 34.980 37.205 1.00 12.62 N ATOM 786 CA ASP A 104 15.739 35.991 37.252 1.00 6.24 C ATOM 787 C ASP A 104 16.790 35.620 38.231 1.00 18.76 C ATOM 788 O ASP A 104 18.027 36.017 38.021 1.00 19.44 O ATOM 789 CB ASP A 104 15.388 37.363 37.719 1.00 13.49 C ATOM 790 CG ASP A 104 14.539 37.926 36.656 1.00 32.80 C ATOM 791 OD1 ASP A 104 14.220 39.083 36.809 1.00 47.41 O ATOM 792 OD2 ASP A 104 14.445 37.396 35.515 1.00 41.56 O ATOM 0 H ASP A 104 13.759 35.399 37.282 1.00 12.62 H new ATOM 0 HA ASP A 104 16.033 35.956 36.328 1.00 6.24 H new ATOM 0 HB2 ASP A 104 14.917 37.335 38.566 1.00 13.49 H new ATOM 0 HB3 ASP A 104 16.183 37.901 37.855 1.00 13.49 H new ATOM 793 N ALA A 105 16.304 35.032 39.342 1.00 9.77 N ATOM 794 CA ALA A 105 17.200 34.766 40.443 1.00 13.17 C ATOM 795 C ALA A 105 17.966 33.587 40.176 1.00 11.05 C ATOM 796 O ALA A 105 18.996 33.467 40.857 1.00 16.14 O ATOM 797 CB ALA A 105 16.446 34.571 41.786 1.00 6.55 C ATOM 0 H ALA A 105 15.486 34.793 39.461 1.00 9.77 H new ATOM 0 HA ALA A 105 17.778 35.541 40.528 1.00 13.17 H new ATOM 0 HB1 ALA A 105 17.086 34.396 42.494 1.00 6.55 H new ATOM 0 HB2 ALA A 105 15.945 35.375 41.996 1.00 6.55 H new ATOM 0 HB3 ALA A 105 15.836 33.821 41.709 1.00 6.55 H new ATOM 798 N HIS A 106 17.595 32.863 39.105 1.00 13.67 N ATOM 799 CA HIS A 106 18.353 31.798 38.660 1.00 13.67 C ATOM 800 C HIS A 106 19.685 32.359 37.982 1.00 24.69 C ATOM 801 O HIS A 106 20.631 31.666 37.968 1.00 15.65 O ATOM 802 CB HIS A 106 17.521 30.814 37.677 1.00 12.56 C ATOM 803 CG HIS A 106 16.432 29.795 38.373 1.00 8.59 C ATOM 804 ND1 HIS A 106 15.051 29.751 38.095 1.00 16.88 N ATOM 805 CD2 HIS A 106 16.578 28.828 39.269 1.00 16.20 C ATOM 806 CE1 HIS A 106 14.326 28.706 38.867 1.00 16.82 C ATOM 807 NE2 HIS A 106 15.292 28.130 39.607 1.00 16.25 N ATOM 0 H HIS A 106 16.885 33.013 38.644 1.00 13.67 H new ATOM 0 HA HIS A 106 18.597 31.246 39.419 1.00 13.67 H new ATOM 0 HB2 HIS A 106 17.048 31.363 37.032 1.00 12.56 H new ATOM 0 HB3 HIS A 106 18.158 30.278 37.180 1.00 12.56 H new ATOM 0 HD2 HIS A 106 17.396 28.604 39.650 1.00 16.20 H new ATOM 0 HE1 HIS A 106 13.420 28.499 38.844 1.00 16.82 H new ATOM 0 HE2 HIS A 106 15.192 27.485 40.167 1.00 16.25 H new ATOM 808 N PHE A 107 19.706 33.506 37.336 1.00 18.41 N ATOM 809 CA PHE A 107 20.898 34.122 36.553 1.00 27.22 C ATOM 810 C PHE A 107 22.279 34.321 37.250 1.00 11.97 C ATOM 811 O PHE A 107 23.260 33.948 36.649 1.00 10.46 O ATOM 812 CB PHE A 107 20.668 35.357 35.701 1.00 20.39 C ATOM 813 CG PHE A 107 19.694 34.958 34.520 1.00 9.00 C ATOM 814 CD1 PHE A 107 18.313 34.743 34.723 1.00 14.49 C ATOM 815 CD2 PHE A 107 20.205 34.806 33.259 1.00 7.53 C ATOM 816 CE1 PHE A 107 17.435 34.363 33.665 1.00 19.40 C ATOM 817 CE2 PHE A 107 19.334 34.424 32.193 1.00 15.57 C ATOM 818 CZ PHE A 107 17.945 34.200 32.397 1.00 9.35 C ATOM 0 H PHE A 107 19.012 34.013 37.310 1.00 18.41 H new ATOM 0 HA PHE A 107 20.946 33.334 35.989 1.00 27.22 H new ATOM 0 HB2 PHE A 107 20.282 36.070 36.234 1.00 20.39 H new ATOM 0 HB3 PHE A 107 21.509 35.689 35.350 1.00 20.39 H new ATOM 0 HD1 PHE A 107 17.963 34.853 35.578 1.00 14.49 H new ATOM 0 HD2 PHE A 107 21.110 34.950 33.098 1.00 7.53 H new ATOM 0 HE1 PHE A 107 16.530 34.227 33.830 1.00 19.40 H new ATOM 0 HE2 PHE A 107 19.687 34.319 31.339 1.00 15.57 H new ATOM 0 HZ PHE A 107 17.394 33.949 31.691 1.00 9.35 H new ATOM 819 N PRO A 108 22.404 34.791 38.486 1.00 11.47 N ATOM 820 CA PRO A 108 23.697 34.874 39.200 1.00 8.84 C ATOM 821 C PRO A 108 24.175 33.509 39.411 1.00 22.45 C ATOM 822 O PRO A 108 25.423 33.464 39.469 1.00 8.15 O ATOM 823 CB PRO A 108 23.553 35.581 40.546 1.00 18.40 C ATOM 824 CG PRO A 108 22.187 36.093 40.512 1.00 5.81 C ATOM 825 CD PRO A 108 21.443 35.465 39.269 1.00 3.12 C ATOM 0 HA PRO A 108 24.324 35.389 38.669 1.00 8.84 H new ATOM 0 HB2 PRO A 108 23.688 34.970 41.287 1.00 18.40 H new ATOM 0 HB3 PRO A 108 24.201 36.296 40.646 1.00 18.40 H new ATOM 0 HG2 PRO A 108 21.722 35.866 41.332 1.00 5.81 H new ATOM 0 HG3 PRO A 108 22.192 37.061 40.447 1.00 5.81 H new ATOM 0 HD2 PRO A 108 20.752 34.851 39.561 1.00 3.12 H new ATOM 0 HD3 PRO A 108 21.006 36.157 38.749 1.00 3.12 H new ATOM 826 N VAL A 109 23.231 32.424 39.412 1.00 10.88 N ATOM 827 CA VAL A 109 23.577 31.047 39.541 1.00 5.30 C ATOM 828 C VAL A 109 24.361 30.636 38.343 1.00 12.37 C ATOM 829 O VAL A 109 25.468 30.203 38.514 1.00 15.03 O ATOM 830 CB VAL A 109 22.299 29.989 39.755 1.00 19.71 C ATOM 831 CG1 VAL A 109 22.579 28.520 39.645 1.00 9.16 C ATOM 832 CG2 VAL A 109 21.581 30.230 41.073 1.00 14.09 C ATOM 0 H VAL A 109 22.384 32.551 39.333 1.00 10.88 H new ATOM 0 HA VAL A 109 24.091 30.985 40.361 1.00 5.30 H new ATOM 0 HB VAL A 109 21.747 30.207 38.987 1.00 19.71 H new ATOM 0 HG11 VAL A 109 21.759 28.022 39.789 1.00 9.16 H new ATOM 0 HG12 VAL A 109 22.926 28.322 38.761 1.00 9.16 H new ATOM 0 HG13 VAL A 109 23.234 28.264 40.314 1.00 9.16 H new ATOM 0 HG21 VAL A 109 20.848 29.600 41.162 1.00 14.09 H new ATOM 0 HG22 VAL A 109 22.203 30.108 41.807 1.00 14.09 H new ATOM 0 HG23 VAL A 109 21.233 31.135 41.091 1.00 14.09 H new ATOM 833 N VAL A 110 23.820 30.805 37.168 1.00 14.54 N ATOM 834 CA VAL A 110 24.478 30.434 35.941 1.00 15.39 C ATOM 835 C VAL A 110 25.778 31.407 35.659 1.00 20.05 C ATOM 836 O VAL A 110 26.803 30.955 35.236 1.00 10.49 O ATOM 837 CB VAL A 110 23.488 30.297 34.741 1.00 14.51 C ATOM 838 CG1 VAL A 110 24.178 30.142 33.383 1.00 9.89 C ATOM 839 CG2 VAL A 110 22.314 29.128 34.953 1.00 4.37 C ATOM 0 H VAL A 110 23.039 31.147 37.053 1.00 14.54 H new ATOM 0 HA VAL A 110 24.834 29.538 36.045 1.00 15.39 H new ATOM 0 HB VAL A 110 23.030 31.152 34.731 1.00 14.51 H new ATOM 0 HG11 VAL A 110 23.508 30.062 32.686 1.00 9.89 H new ATOM 0 HG12 VAL A 110 24.732 30.919 33.211 1.00 9.89 H new ATOM 0 HG13 VAL A 110 24.732 29.346 33.390 1.00 9.89 H new ATOM 0 HG21 VAL A 110 21.739 29.101 34.172 1.00 4.37 H new ATOM 0 HG22 VAL A 110 22.736 28.263 35.074 1.00 4.37 H new ATOM 0 HG23 VAL A 110 21.783 29.340 35.737 1.00 4.37 H new ATOM 840 N LYS A 111 25.803 32.652 36.097 1.00 11.32 N ATOM 841 CA LYS A 111 27.023 33.667 35.987 1.00 6.65 C ATOM 842 C LYS A 111 28.249 33.251 36.692 1.00 4.12 C ATOM 843 O LYS A 111 29.307 33.172 36.031 1.00 5.36 O ATOM 844 CB LYS A 111 26.737 35.021 36.562 1.00 8.05 C ATOM 845 CG LYS A 111 27.939 36.174 36.433 1.00 19.40 C ATOM 846 CD LYS A 111 27.491 37.511 36.872 1.00 12.98 C ATOM 847 CE LYS A 111 28.641 38.715 36.858 1.00 32.46 C ATOM 848 NZ LYS A 111 28.076 39.937 37.220 1.00 37.48 N ATOM 0 H LYS A 111 25.123 33.004 36.488 1.00 11.32 H new ATOM 0 HA LYS A 111 27.153 33.684 35.026 1.00 6.65 H new ATOM 0 HB2 LYS A 111 25.940 35.368 36.132 1.00 8.05 H new ATOM 0 HB3 LYS A 111 26.526 34.910 37.502 1.00 8.05 H new ATOM 0 HG2 LYS A 111 28.703 35.901 36.965 1.00 19.40 H new ATOM 0 HG3 LYS A 111 28.238 36.223 35.512 1.00 19.40 H new ATOM 0 HD2 LYS A 111 26.754 37.787 36.305 1.00 12.98 H new ATOM 0 HD3 LYS A 111 27.141 37.434 37.774 1.00 12.98 H new ATOM 0 HE2 LYS A 111 29.359 38.491 37.471 1.00 32.46 H new ATOM 0 HE3 LYS A 111 29.034 38.784 35.974 1.00 32.46 H new ATOM 0 HZ1 LYS A 111 28.692 40.577 37.166 1.00 37.48 H new ATOM 0 HZ2 LYS A 111 27.402 40.127 36.671 1.00 37.48 H new ATOM 0 HZ3 LYS A 111 27.773 39.888 38.055 1.00 37.48 H new ATOM 849 N GLU A 112 28.079 32.943 37.971 1.00 6.90 N ATOM 850 CA GLU A 112 29.170 32.504 38.753 1.00 9.44 C ATOM 851 C GLU A 112 29.600 31.207 38.229 1.00 16.50 C ATOM 852 O GLU A 112 30.836 31.121 38.153 1.00 9.78 O ATOM 853 CB GLU A 112 28.824 32.356 40.249 1.00 3.00 C ATOM 854 CG GLU A 112 28.494 33.688 40.849 1.00 25.26 C ATOM 855 CD GLU A 112 29.691 34.812 40.634 1.00 39.22 C ATOM 856 OE1 GLU A 112 30.857 34.652 41.001 1.00 22.68 O ATOM 857 OE2 GLU A 112 29.523 35.910 40.096 1.00 17.57 O ATOM 0 H GLU A 112 27.328 32.988 38.388 1.00 6.90 H new ATOM 0 HA GLU A 112 29.870 33.173 38.695 1.00 9.44 H new ATOM 0 HB2 GLU A 112 28.071 31.753 40.354 1.00 3.00 H new ATOM 0 HB3 GLU A 112 29.573 31.960 40.721 1.00 3.00 H new ATOM 0 HG2 GLU A 112 27.672 34.019 40.455 1.00 25.26 H new ATOM 0 HG3 GLU A 112 28.329 33.577 41.798 1.00 25.26 H new ATOM 858 N ALA A 113 28.622 30.294 37.776 1.00 14.43 N ATOM 859 CA ALA A 113 28.925 29.014 37.240 1.00 3.00 C ATOM 860 C ALA A 113 29.757 29.206 35.959 1.00 4.37 C ATOM 861 O ALA A 113 30.705 28.530 35.799 1.00 8.16 O ATOM 862 CB ALA A 113 27.617 28.011 37.006 1.00 11.58 C ATOM 0 H ALA A 113 27.779 30.464 37.799 1.00 14.43 H new ATOM 0 HA ALA A 113 29.441 28.538 37.909 1.00 3.00 H new ATOM 0 HB1 ALA A 113 27.919 27.165 36.640 1.00 11.58 H new ATOM 0 HB2 ALA A 113 27.173 27.855 37.854 1.00 11.58 H new ATOM 0 HB3 ALA A 113 26.996 28.427 36.388 1.00 11.58 H new ATOM 863 N ILE A 114 29.497 30.179 35.146 1.00 8.77 N ATOM 864 CA ILE A 114 30.285 30.516 33.913 1.00 7.63 C ATOM 865 C ILE A 114 31.721 31.201 34.223 1.00 16.52 C ATOM 866 O ILE A 114 32.713 30.827 33.633 1.00 8.97 O ATOM 867 CB ILE A 114 29.584 31.415 32.962 1.00 5.42 C ATOM 868 CG1 ILE A 114 28.292 30.625 32.339 1.00 8.84 C ATOM 869 CG2 ILE A 114 30.534 32.106 31.866 1.00 6.69 C ATOM 870 CD1 ILE A 114 27.623 31.502 31.354 1.00 6.64 C ATOM 0 H ILE A 114 28.832 30.710 35.269 1.00 8.77 H new ATOM 0 HA ILE A 114 30.406 29.642 33.509 1.00 7.63 H new ATOM 0 HB ILE A 114 29.263 32.185 33.456 1.00 5.42 H new ATOM 0 HG12 ILE A 114 28.576 29.800 31.915 1.00 8.84 H new ATOM 0 HG13 ILE A 114 27.674 30.383 33.046 1.00 8.84 H new ATOM 0 HG21 ILE A 114 30.001 32.674 31.287 1.00 6.69 H new ATOM 0 HG22 ILE A 114 31.208 32.642 32.313 1.00 6.69 H new ATOM 0 HG23 ILE A 114 30.968 31.420 31.335 1.00 6.69 H new ATOM 0 HD11 ILE A 114 26.856 31.042 30.979 1.00 6.64 H new ATOM 0 HD12 ILE A 114 27.329 32.316 31.792 1.00 6.64 H new ATOM 0 HD13 ILE A 114 28.245 31.724 30.643 1.00 6.64 H new ATOM 871 N LEU A 115 31.819 32.098 35.198 1.00 11.93 N ATOM 872 CA LEU A 115 33.141 32.819 35.615 1.00 12.15 C ATOM 873 C LEU A 115 34.020 31.855 36.210 1.00 8.32 C ATOM 874 O LEU A 115 35.225 31.909 35.831 1.00 15.99 O ATOM 875 CB LEU A 115 33.005 33.958 36.625 1.00 10.53 C ATOM 876 CG LEU A 115 32.390 35.142 36.004 1.00 11.02 C ATOM 877 CD1 LEU A 115 32.157 36.195 37.070 1.00 12.28 C ATOM 878 CD2 LEU A 115 33.239 35.807 34.826 1.00 6.57 C ATOM 0 H LEU A 115 31.142 32.341 35.669 1.00 11.93 H new ATOM 0 HA LEU A 115 33.469 33.214 34.792 1.00 12.15 H new ATOM 0 HB2 LEU A 115 32.466 33.666 37.377 1.00 10.53 H new ATOM 0 HB3 LEU A 115 33.879 34.190 36.976 1.00 10.53 H new ATOM 0 HG LEU A 115 31.566 34.825 35.603 1.00 11.02 H new ATOM 0 HD11 LEU A 115 31.752 36.979 36.668 1.00 12.28 H new ATOM 0 HD12 LEU A 115 31.566 35.840 37.752 1.00 12.28 H new ATOM 0 HD13 LEU A 115 33.004 36.441 37.473 1.00 12.28 H new ATOM 0 HD21 LEU A 115 32.762 36.576 34.477 1.00 6.57 H new ATOM 0 HD22 LEU A 115 34.101 36.090 35.168 1.00 6.57 H new ATOM 0 HD23 LEU A 115 33.371 35.159 34.116 1.00 6.57 H new ATOM 879 N LYS A 116 33.403 30.944 37.039 1.00 10.52 N ATOM 880 CA LYS A 116 34.140 29.937 37.640 1.00 3.44 C ATOM 881 C LYS A 116 34.562 28.953 36.615 1.00 9.14 C ATOM 882 O LYS A 116 35.741 28.666 36.668 1.00 16.12 O ATOM 883 CB LYS A 116 33.358 29.170 38.800 1.00 4.66 C ATOM 884 CG LYS A 116 33.140 30.122 39.965 1.00 41.22 C ATOM 885 CD LYS A 116 32.365 29.366 41.142 1.00 45.67 C ATOM 886 CE LYS A 116 32.073 30.343 42.259 1.00 46.09 C ATOM 887 NZ LYS A 116 31.383 29.584 43.384 0.00 0.00 N ATOM 0 H LYS A 116 32.564 30.943 37.226 1.00 10.52 H new ATOM 0 HA LYS A 116 34.904 30.370 38.053 1.00 3.44 H new ATOM 0 HB2 LYS A 116 32.506 28.844 38.470 1.00 4.66 H new ATOM 0 HB3 LYS A 116 33.865 28.396 39.091 1.00 4.66 H new ATOM 0 HG2 LYS A 116 33.993 30.453 40.288 1.00 41.22 H new ATOM 0 HG3 LYS A 116 32.629 30.893 39.673 1.00 41.22 H new ATOM 0 HD2 LYS A 116 31.538 28.986 40.807 1.00 45.67 H new ATOM 0 HD3 LYS A 116 32.901 28.629 41.475 1.00 45.67 H new ATOM 0 HE2 LYS A 116 32.895 30.748 42.578 1.00 46.09 H new ATOM 0 HE3 LYS A 116 31.507 31.063 41.940 1.00 46.09 H new ATOM 0 HZ1 LYS A 116 31.202 30.143 44.052 0.00 0.00 H new ATOM 0 HZ2 LYS A 116 30.625 29.229 43.082 0.00 0.00 H new ATOM 0 HZ3 LYS A 116 31.918 28.935 43.676 0.00 0.00 H new ATOM 888 N THR A 117 33.692 28.582 35.637 1.00 12.93 N ATOM 889 CA THR A 117 33.995 27.692 34.539 1.00 8.73 C ATOM 890 C THR A 117 35.180 28.357 33.694 1.00 13.66 C ATOM 891 O THR A 117 36.132 27.715 33.424 1.00 18.19 O ATOM 892 CB THR A 117 32.757 27.238 33.623 1.00 8.22 C ATOM 893 OG1 THR A 117 31.684 26.472 34.363 1.00 10.19 O ATOM 894 CG2 THR A 117 33.083 26.365 32.428 1.00 6.92 C ATOM 0 H THR A 117 32.881 28.868 35.617 1.00 12.93 H new ATOM 0 HA THR A 117 34.267 26.844 34.923 1.00 8.73 H new ATOM 0 HB THR A 117 32.455 28.111 33.327 1.00 8.22 H new ATOM 0 HG1 THR A 117 31.261 26.996 34.865 1.00 10.19 H new ATOM 0 HG21 THR A 117 32.266 26.153 31.950 1.00 6.92 H new ATOM 0 HG22 THR A 117 33.689 26.838 31.837 1.00 6.92 H new ATOM 0 HG23 THR A 117 33.502 25.545 32.731 1.00 6.92 H new ATOM 895 N ILE A 118 35.146 29.611 33.324 1.00 16.21 N ATOM 896 CA ILE A 118 36.243 30.323 32.503 1.00 12.09 C ATOM 897 C ILE A 118 37.584 30.534 33.254 1.00 13.96 C ATOM 898 O ILE A 118 38.640 30.305 32.673 1.00 10.70 O ATOM 899 CB ILE A 118 35.897 31.675 31.969 1.00 15.31 C ATOM 900 CG1 ILE A 118 34.709 31.410 30.978 1.00 11.99 C ATOM 901 CG2 ILE A 118 37.132 32.533 31.306 1.00 18.23 C ATOM 902 CD1 ILE A 118 35.040 30.528 29.791 1.00 13.91 C ATOM 0 H ILE A 118 34.489 30.130 33.523 1.00 16.21 H new ATOM 0 HA ILE A 118 36.328 29.684 31.778 1.00 12.09 H new ATOM 0 HB ILE A 118 35.654 32.268 32.697 1.00 15.31 H new ATOM 0 HG12 ILE A 118 33.980 31.002 31.472 1.00 11.99 H new ATOM 0 HG13 ILE A 118 34.386 32.263 30.648 1.00 11.99 H new ATOM 0 HG21 ILE A 118 36.800 33.389 30.993 1.00 18.23 H new ATOM 0 HG22 ILE A 118 37.820 32.678 31.974 1.00 18.23 H new ATOM 0 HG23 ILE A 118 37.505 32.039 30.559 1.00 18.23 H new ATOM 0 HD11 ILE A 118 34.251 30.420 29.237 1.00 13.91 H new ATOM 0 HD12 ILE A 118 35.747 30.939 29.269 1.00 13.91 H new ATOM 0 HD13 ILE A 118 35.335 29.659 30.106 1.00 13.91 H new ATOM 903 N LYS A 119 37.486 30.696 34.552 1.00 14.54 N ATOM 904 CA LYS A 119 38.687 30.809 35.407 1.00 14.39 C ATOM 905 C LYS A 119 39.330 29.522 35.411 1.00 19.84 C ATOM 906 O LYS A 119 40.584 29.585 35.230 1.00 12.05 O ATOM 907 CB LYS A 119 38.357 31.190 36.846 1.00 20.80 C ATOM 908 CG LYS A 119 39.646 31.528 37.696 1.00 20.73 C ATOM 909 CD LYS A 119 39.342 31.927 39.137 1.00 31.11 C ATOM 910 CE LYS A 119 38.560 33.137 39.194 0.00 0.00 C ATOM 911 NZ LYS A 119 38.390 33.539 40.589 0.00 0.00 N ATOM 0 H LYS A 119 36.740 30.745 34.976 1.00 14.54 H new ATOM 0 HA LYS A 119 39.253 31.511 35.049 1.00 14.39 H new ATOM 0 HB2 LYS A 119 37.763 31.957 36.846 1.00 20.80 H new ATOM 0 HB3 LYS A 119 37.877 30.460 37.268 1.00 20.80 H new ATOM 0 HG2 LYS A 119 40.233 30.756 37.699 1.00 20.73 H new ATOM 0 HG3 LYS A 119 40.129 32.250 37.264 1.00 20.73 H new ATOM 0 HD2 LYS A 119 38.863 31.209 39.579 1.00 31.11 H new ATOM 0 HD3 LYS A 119 40.173 32.054 39.621 1.00 31.11 H new ATOM 0 HE2 LYS A 119 39.000 33.843 38.695 0.00 0.00 H new ATOM 0 HE3 LYS A 119 37.694 32.995 38.780 0.00 0.00 H new ATOM 0 HZ1 LYS A 119 37.907 34.286 40.626 0.00 0.00 H new ATOM 0 HZ2 LYS A 119 37.971 32.893 41.035 0.00 0.00 H new ATOM 0 HZ3 LYS A 119 39.188 33.683 40.956 0.00 0.00 H new ATOM 912 N GLU A 120 38.468 28.389 35.399 1.00 15.49 N ATOM 913 CA GLU A 120 38.968 27.092 35.313 1.00 8.17 C ATOM 914 C GLU A 120 39.474 26.793 33.923 1.00 13.54 C ATOM 915 O GLU A 120 40.513 26.237 33.811 1.00 24.95 O ATOM 916 CB GLU A 120 37.917 25.919 35.832 1.00 13.13 C ATOM 917 CG GLU A 120 37.532 26.157 37.297 1.00 39.34 C ATOM 918 CD GLU A 120 36.448 25.004 37.751 1.00 54.17 C ATOM 919 OE1 GLU A 120 35.937 25.042 38.897 1.00 41.26 O ATOM 920 OE2 GLU A 120 36.309 23.902 37.127 1.00 35.33 O ATOM 0 H GLU A 120 37.610 28.437 35.443 1.00 15.49 H new ATOM 0 HA GLU A 120 39.714 27.063 35.933 1.00 8.17 H new ATOM 0 HB2 GLU A 120 37.121 25.921 35.278 1.00 13.13 H new ATOM 0 HB3 GLU A 120 38.326 25.045 35.737 1.00 13.13 H new ATOM 0 HG2 GLU A 120 38.319 26.119 37.862 1.00 39.34 H new ATOM 0 HG3 GLU A 120 37.148 27.041 37.404 1.00 39.34 H new ATOM 921 N VAL A 121 38.823 27.221 32.905 1.00 12.74 N ATOM 922 CA VAL A 121 39.235 27.015 31.518 1.00 4.63 C ATOM 923 C VAL A 121 40.654 27.747 31.206 1.00 14.35 C ATOM 924 O VAL A 121 41.455 27.142 30.557 1.00 16.68 O ATOM 925 CB VAL A 121 38.195 27.421 30.508 1.00 7.17 C ATOM 926 CG1 VAL A 121 38.724 27.551 29.060 1.00 6.19 C ATOM 927 CG2 VAL A 121 36.830 26.469 30.571 1.00 15.75 C ATOM 0 H VAL A 121 38.090 27.664 32.977 1.00 12.74 H new ATOM 0 HA VAL A 121 39.347 26.056 31.422 1.00 4.63 H new ATOM 0 HB VAL A 121 37.943 28.318 30.777 1.00 7.17 H new ATOM 0 HG11 VAL A 121 37.998 27.814 28.473 1.00 6.19 H new ATOM 0 HG12 VAL A 121 39.423 28.222 29.030 1.00 6.19 H new ATOM 0 HG13 VAL A 121 39.082 26.698 28.768 1.00 6.19 H new ATOM 0 HG21 VAL A 121 36.194 26.770 29.904 1.00 15.75 H new ATOM 0 HG22 VAL A 121 37.070 25.546 30.394 1.00 15.75 H new ATOM 0 HG23 VAL A 121 36.429 26.535 31.452 1.00 15.75 H new ATOM 928 N VAL A 122 40.947 29.016 31.589 1.00 17.95 N ATOM 929 CA VAL A 122 42.218 29.841 31.153 1.00 4.39 C ATOM 930 C VAL A 122 43.408 29.737 32.073 1.00 13.32 C ATOM 931 O VAL A 122 44.602 30.064 31.655 1.00 18.58 O ATOM 932 CB VAL A 122 42.045 31.332 30.950 1.00 5.19 C ATOM 933 CG1 VAL A 122 41.022 31.477 29.825 1.00 9.25 C ATOM 934 CG2 VAL A 122 41.662 31.988 32.257 1.00 4.02 C ATOM 0 H VAL A 122 40.432 29.461 32.115 1.00 17.95 H new ATOM 0 HA VAL A 122 42.366 29.398 30.303 1.00 4.39 H new ATOM 0 HB VAL A 122 42.858 31.790 30.686 1.00 5.19 H new ATOM 0 HG11 VAL A 122 40.868 32.418 29.647 1.00 9.25 H new ATOM 0 HG12 VAL A 122 41.359 31.048 29.023 1.00 9.25 H new ATOM 0 HG13 VAL A 122 40.188 31.057 30.089 1.00 9.25 H new ATOM 0 HG21 VAL A 122 41.553 32.942 32.121 1.00 4.02 H new ATOM 0 HG22 VAL A 122 40.828 31.610 32.577 1.00 4.02 H new ATOM 0 HG23 VAL A 122 42.359 31.833 32.913 1.00 4.02 H new ATOM 935 N GLY A 123 43.064 29.214 33.251 1.00 16.68 N ATOM 936 CA GLY A 123 44.057 29.035 34.280 1.00 21.66 C ATOM 937 C GLY A 123 45.025 30.333 34.569 1.00 21.90 C ATOM 938 O GLY A 123 44.569 31.362 34.979 1.00 19.61 O ATOM 0 H GLY A 123 42.269 28.963 33.462 1.00 16.68 H new ATOM 0 HA2 GLY A 123 43.605 28.799 35.105 1.00 21.66 H new ATOM 0 HA3 GLY A 123 44.618 28.281 34.038 1.00 21.66 H new ATOM 939 N ALA A 124 46.318 30.239 34.440 1.00 25.26 N ATOM 940 CA ALA A 124 47.415 31.323 34.822 1.00 18.65 C ATOM 941 C ALA A 124 47.450 32.598 33.992 1.00 12.03 C ATOM 942 O ALA A 124 48.163 33.673 34.377 1.00 19.99 O ATOM 943 CB ALA A 124 48.810 30.856 34.725 1.00 19.38 C ATOM 0 H ALA A 124 46.677 29.528 34.115 1.00 25.26 H new ATOM 0 HA ALA A 124 47.118 31.495 35.729 1.00 18.65 H new ATOM 0 HB1 ALA A 124 49.411 31.576 34.974 1.00 19.38 H new ATOM 0 HB2 ALA A 124 48.942 30.104 35.323 1.00 19.38 H new ATOM 0 HB3 ALA A 124 48.997 30.581 33.814 1.00 19.38 H new ATOM 944 N LYS A 125 46.675 32.479 32.920 1.00 13.65 N ATOM 945 CA LYS A 125 46.574 33.649 32.067 1.00 18.02 C ATOM 946 C LYS A 125 45.535 34.495 32.573 1.00 15.12 C ATOM 947 O LYS A 125 45.277 35.482 31.899 1.00 16.22 O ATOM 948 CB LYS A 125 46.249 33.219 30.610 1.00 22.72 C ATOM 949 CG LYS A 125 47.277 32.358 30.060 1.00 37.12 C ATOM 950 CD LYS A 125 47.150 32.155 28.537 1.00 25.24 C ATOM 951 CE LYS A 125 45.736 31.453 28.108 1.00 36.11 C ATOM 952 NZ LYS A 125 45.468 30.052 28.602 1.00 34.81 N ATOM 0 H LYS A 125 46.230 31.783 32.682 1.00 13.65 H new ATOM 0 HA LYS A 125 47.417 34.129 32.064 1.00 18.02 H new ATOM 0 HB2 LYS A 125 45.396 32.757 30.592 1.00 22.72 H new ATOM 0 HB3 LYS A 125 46.156 34.008 30.053 1.00 22.72 H new ATOM 0 HG2 LYS A 125 48.148 32.737 30.258 1.00 37.12 H new ATOM 0 HG3 LYS A 125 47.237 31.494 30.500 1.00 37.12 H new ATOM 0 HD2 LYS A 125 47.228 33.014 28.093 1.00 25.24 H new ATOM 0 HD3 LYS A 125 47.887 31.606 28.225 1.00 25.24 H new ATOM 0 HE2 LYS A 125 45.014 32.022 28.419 1.00 36.11 H new ATOM 0 HE3 LYS A 125 45.691 31.441 27.139 1.00 36.11 H new ATOM 0 HZ1 LYS A 125 44.593 29.940 28.717 1.00 34.81 H new ATOM 0 HZ2 LYS A 125 45.766 29.464 28.004 1.00 34.81 H new ATOM 0 HZ3 LYS A 125 45.887 29.925 29.377 1.00 34.81 H new ATOM 953 N TRP A 126 44.911 34.089 33.695 1.00 10.81 N ATOM 954 CA TRP A 126 43.833 34.794 34.211 1.00 17.20 C ATOM 955 C TRP A 126 44.379 36.230 34.670 1.00 22.69 C ATOM 956 O TRP A 126 45.520 36.458 35.220 1.00 16.76 O ATOM 957 CB TRP A 126 43.075 33.974 35.361 1.00 10.73 C ATOM 958 CG TRP A 126 41.762 34.504 35.751 1.00 20.64 C ATOM 959 CD1 TRP A 126 40.542 34.289 35.153 1.00 21.83 C ATOM 960 CD2 TRP A 126 41.613 35.342 36.839 1.00 28.21 C ATOM 961 NE1 TRP A 126 39.633 34.972 35.858 1.00 24.95 N ATOM 962 CE2 TRP A 126 40.261 35.581 36.842 1.00 11.22 C ATOM 963 CE3 TRP A 126 42.535 35.904 37.787 1.00 26.04 C ATOM 964 CZ2 TRP A 126 39.775 36.382 37.793 1.00 34.95 C ATOM 965 CZ3 TRP A 126 42.046 36.720 38.741 1.00 48.09 C ATOM 966 CH2 TRP A 126 40.707 36.951 38.743 1.00 45.53 C ATOM 0 H TRP A 126 45.133 33.392 34.147 1.00 10.81 H new ATOM 0 HA TRP A 126 43.147 34.926 33.538 1.00 17.20 H new ATOM 0 HB2 TRP A 126 42.962 33.058 35.063 1.00 10.73 H new ATOM 0 HB3 TRP A 126 43.643 33.948 36.147 1.00 10.73 H new ATOM 0 HD1 TRP A 126 40.380 33.767 34.400 1.00 21.83 H new ATOM 0 HE1 TRP A 126 38.789 35.007 35.697 1.00 24.95 H new ATOM 0 HE3 TRP A 126 43.443 35.710 37.743 1.00 26.04 H new ATOM 0 HZ2 TRP A 126 38.865 36.569 37.844 1.00 34.95 H new ATOM 0 HZ3 TRP A 126 42.604 37.110 39.374 1.00 48.09 H new ATOM 0 HH2 TRP A 126 40.366 37.514 39.400 1.00 45.53 H new ATOM 967 N SER A 127 43.642 37.180 34.376 1.00 16.39 N ATOM 968 CA SER A 127 43.999 38.599 34.799 1.00 17.58 C ATOM 969 C SER A 127 42.762 39.231 35.196 1.00 18.70 C ATOM 970 O SER A 127 41.607 38.682 34.824 1.00 11.45 O ATOM 971 CB SER A 127 44.743 39.458 33.672 1.00 9.30 C ATOM 972 OG SER A 127 43.812 39.629 32.619 1.00 14.62 O ATOM 0 H SER A 127 42.909 37.108 33.932 1.00 16.39 H new ATOM 0 HA SER A 127 44.641 38.555 35.525 1.00 17.58 H new ATOM 0 HB2 SER A 127 45.028 40.316 34.024 1.00 9.30 H new ATOM 0 HB3 SER A 127 45.539 39.001 33.359 1.00 9.30 H new ATOM 0 HG SER A 127 43.384 38.915 32.505 1.00 14.62 H new ATOM 973 N GLU A 128 43.004 40.366 35.888 1.00 17.02 N ATOM 974 CA GLU A 128 41.920 41.133 36.268 1.00 15.78 C ATOM 975 C GLU A 128 41.261 41.658 35.046 1.00 5.21 C ATOM 976 O GLU A 128 40.009 41.674 35.034 1.00 19.15 O ATOM 977 CB GLU A 128 42.449 42.344 37.173 1.00 19.11 C ATOM 978 CG GLU A 128 42.895 41.885 38.551 1.00 53.10 C ATOM 979 CD GLU A 128 43.380 43.130 39.403 0.00 0.00 C ATOM 980 OE1 GLU A 128 44.369 43.123 40.177 0.00 0.00 O ATOM 981 OE2 GLU A 128 42.615 44.002 39.575 0.00 0.00 O ATOM 0 H GLU A 128 43.778 40.661 36.118 1.00 17.02 H new ATOM 0 HA GLU A 128 41.282 40.606 36.775 1.00 15.78 H new ATOM 0 HB2 GLU A 128 43.190 42.780 36.724 1.00 19.11 H new ATOM 0 HB3 GLU A 128 41.746 43.005 37.267 1.00 19.11 H new ATOM 0 HG2 GLU A 128 42.163 41.438 39.004 1.00 53.10 H new ATOM 0 HG3 GLU A 128 43.614 41.239 38.469 1.00 53.10 H new ATOM 982 N GLU A 129 42.095 42.056 34.062 1.00 5.28 N ATOM 983 CA GLU A 129 41.645 42.559 32.792 1.00 7.52 C ATOM 984 C GLU A 129 40.631 41.490 32.096 1.00 11.05 C ATOM 985 O GLU A 129 39.627 41.806 31.485 1.00 15.79 O ATOM 986 CB GLU A 129 42.882 42.915 31.874 1.00 8.45 C ATOM 987 CG GLU A 129 42.542 43.634 30.583 1.00 31.89 C ATOM 988 CD GLU A 129 42.552 45.134 30.862 1.00 45.02 C ATOM 989 OE1 GLU A 129 43.138 45.978 30.042 1.00 45.32 O ATOM 990 OE2 GLU A 129 41.765 45.514 31.716 1.00 37.80 O ATOM 0 H GLU A 129 42.951 42.032 34.137 1.00 5.28 H new ATOM 0 HA GLU A 129 41.147 43.381 32.923 1.00 7.52 H new ATOM 0 HB2 GLU A 129 43.496 43.467 32.383 1.00 8.45 H new ATOM 0 HB3 GLU A 129 43.352 42.095 31.657 1.00 8.45 H new ATOM 0 HG2 GLU A 129 43.186 43.413 29.892 1.00 31.89 H new ATOM 0 HG3 GLU A 129 41.671 43.355 30.259 1.00 31.89 H new ATOM 991 N LEU A 130 40.900 40.255 32.207 1.00 18.57 N ATOM 992 CA LEU A 130 40.028 39.104 31.603 1.00 20.48 C ATOM 993 C LEU A 130 38.682 38.817 32.344 1.00 3.00 C ATOM 994 O LEU A 130 37.590 38.645 31.705 1.00 16.59 O ATOM 995 CB LEU A 130 40.760 37.856 31.668 1.00 17.11 C ATOM 996 CG LEU A 130 39.960 36.560 31.055 1.00 10.67 C ATOM 997 CD1 LEU A 130 39.671 36.725 29.555 1.00 12.52 C ATOM 998 CD2 LEU A 130 40.697 35.339 31.297 1.00 24.91 C ATOM 0 H LEU A 130 41.592 39.968 32.629 1.00 18.57 H new ATOM 0 HA LEU A 130 39.828 39.412 30.705 1.00 20.48 H new ATOM 0 HB2 LEU A 130 41.597 37.961 31.189 1.00 17.11 H new ATOM 0 HB3 LEU A 130 40.984 37.674 32.594 1.00 17.11 H new ATOM 0 HG LEU A 130 39.107 36.504 31.514 1.00 10.67 H new ATOM 0 HD11 LEU A 130 39.199 35.943 29.228 1.00 12.52 H new ATOM 0 HD12 LEU A 130 39.124 37.514 29.415 1.00 12.52 H new ATOM 0 HD13 LEU A 130 40.507 36.822 29.073 1.00 12.52 H new ATOM 0 HD21 LEU A 130 40.208 34.587 30.928 1.00 24.91 H new ATOM 0 HD22 LEU A 130 41.568 35.397 30.874 1.00 24.91 H new ATOM 0 HD23 LEU A 130 40.810 35.213 32.252 1.00 24.91 H new ATOM 999 N ASN A 131 38.791 38.854 33.654 1.00 14.50 N ATOM 1000 CA ASN A 131 37.621 38.635 34.535 1.00 8.57 C ATOM 1001 C ASN A 131 36.710 39.698 34.303 1.00 15.99 C ATOM 1002 O ASN A 131 35.457 39.347 34.168 1.00 15.50 O ATOM 1003 CB ASN A 131 38.087 38.717 36.000 1.00 7.56 C ATOM 1004 CG ASN A 131 36.843 38.409 36.892 1.00 16.90 C ATOM 1005 OD1 ASN A 131 36.393 39.348 37.496 1.00 26.99 O ATOM 1006 ND2 ASN A 131 36.239 37.147 36.853 1.00 21.46 N ATOM 0 H ASN A 131 39.528 39.004 34.071 1.00 14.50 H new ATOM 0 HA ASN A 131 37.212 37.773 34.360 1.00 8.57 H new ATOM 0 HB2 ASN A 131 38.798 38.079 36.170 1.00 7.56 H new ATOM 0 HB3 ASN A 131 38.442 39.598 36.198 1.00 7.56 H new ATOM 0 HD21 ASN A 131 35.503 37.009 37.277 1.00 21.46 H new ATOM 0 HD22 ASN A 131 36.603 36.510 36.405 1.00 21.46 H new ATOM 1007 N SER A 132 37.348 40.947 34.165 1.00 11.06 N ATOM 1008 CA SER A 132 36.602 42.074 33.925 1.00 5.12 C ATOM 1009 C SER A 132 35.897 41.954 32.576 1.00 4.42 C ATOM 1010 O SER A 132 34.712 42.217 32.469 1.00 18.84 O ATOM 1011 CB SER A 132 37.518 43.451 34.013 1.00 3.00 C ATOM 1012 OG ASER A 132 38.431 43.643 32.902 0.33 4.47 O ATOM 1013 OG BSER A 132 38.184 43.569 35.281 0.33 3.00 O ATOM 1014 OG CSER A 132 36.983 44.398 33.162 0.33 10.13 O ATOM 0 H SER A 132 38.197 41.074 34.219 1.00 11.06 H new ATOM 0 HA SER A 132 35.929 42.146 34.620 1.00 5.12 H new ATOM 0 HB2ASER A 132 36.925 44.217 34.065 0.33 3.00 H new ATOM 0 HB2BSER A 132 38.177 43.447 33.301 0.33 3.00 H new ATOM 0 HB2CSER A 132 37.532 43.787 34.923 0.33 3.00 H new ATOM 0 HB3ASER A 132 38.030 43.433 34.837 0.33 3.00 H new ATOM 0 HB3BSER A 132 36.952 44.226 33.872 0.33 3.00 H new ATOM 0 HB3CSER A 132 38.437 43.259 33.767 0.33 3.00 H new ATOM 0 HG ASER A 132 38.564 42.908 32.518 0.33 10.13 H new ATOM 0 HG BSER A 132 38.802 43.002 35.327 0.33 10.13 H new ATOM 0 HG CSER A 132 37.441 45.101 33.201 0.33 10.13 H new ATOM 1015 N ALA A 133 36.595 41.521 31.599 1.00 8.73 N ATOM 1016 CA ALA A 133 36.026 41.356 30.248 1.00 16.59 C ATOM 1017 C ALA A 133 34.754 40.294 30.151 1.00 17.96 C ATOM 1018 O ALA A 133 33.708 40.580 29.591 1.00 12.90 O ATOM 1019 CB ALA A 133 37.100 41.041 29.245 1.00 7.76 C ATOM 0 H ALA A 133 37.424 41.302 31.663 1.00 8.73 H new ATOM 0 HA ALA A 133 35.636 42.216 30.026 1.00 16.59 H new ATOM 0 HB1 ALA A 133 36.702 40.937 28.366 1.00 7.76 H new ATOM 0 HB2 ALA A 133 37.746 41.765 29.224 1.00 7.76 H new ATOM 0 HB3 ALA A 133 37.546 40.217 29.497 1.00 7.76 H new ATOM 1020 N TRP A 134 34.812 39.127 30.744 1.00 15.24 N ATOM 1021 CA TRP A 134 33.623 38.061 30.741 1.00 9.38 C ATOM 1022 C TRP A 134 32.474 38.470 31.569 1.00 14.11 C ATOM 1023 O TRP A 134 31.269 38.074 31.227 1.00 16.40 O ATOM 1024 CB TRP A 134 33.956 36.702 31.278 1.00 6.71 C ATOM 1025 CG TRP A 134 34.615 35.890 30.220 1.00 7.67 C ATOM 1026 CD1 TRP A 134 35.936 35.871 29.983 1.00 7.31 C ATOM 1027 CD2 TRP A 134 33.926 34.978 29.299 1.00 9.44 C ATOM 1028 NE1 TRP A 134 36.082 34.980 28.921 1.00 7.01 N ATOM 1029 CE2 TRP A 134 34.907 34.461 28.526 1.00 12.36 C ATOM 1030 CE3 TRP A 134 32.556 34.576 29.089 1.00 22.88 C ATOM 1031 CZ2 TRP A 134 34.567 33.525 27.513 1.00 9.18 C ATOM 1032 CZ3 TRP A 134 32.212 33.644 28.060 1.00 11.26 C ATOM 1033 CH2 TRP A 134 33.188 33.135 27.294 1.00 13.86 C ATOM 0 H TRP A 134 35.505 38.861 31.178 1.00 15.24 H new ATOM 0 HA TRP A 134 33.430 38.022 29.791 1.00 9.38 H new ATOM 0 HB2 TRP A 134 34.542 36.783 32.047 1.00 6.71 H new ATOM 0 HB3 TRP A 134 33.149 36.258 31.582 1.00 6.71 H new ATOM 0 HD1 TRP A 134 36.602 36.345 30.426 1.00 7.31 H new ATOM 0 HE1 TRP A 134 36.838 34.785 28.560 1.00 7.01 H new ATOM 0 HE3 TRP A 134 31.887 34.928 29.631 1.00 22.88 H new ATOM 0 HZ2 TRP A 134 35.238 33.158 26.984 1.00 9.18 H new ATOM 0 HZ3 TRP A 134 31.326 33.395 27.924 1.00 11.26 H new ATOM 0 HH2 TRP A 134 32.979 32.529 26.620 1.00 13.86 H new ATOM 1034 N THR A 135 32.852 39.272 32.595 1.00 11.79 N ATOM 1035 CA THR A 135 31.854 39.744 33.487 1.00 16.99 C ATOM 1036 C THR A 135 31.049 40.723 32.798 1.00 5.76 C ATOM 1037 O THR A 135 29.780 40.528 32.866 1.00 13.76 O ATOM 1038 CB THR A 135 32.551 40.384 34.755 1.00 8.93 C ATOM 1039 OG1 THR A 135 33.088 39.360 35.496 1.00 10.42 O ATOM 1040 CG2 THR A 135 31.588 41.044 35.657 1.00 22.19 C ATOM 0 H THR A 135 33.656 39.528 32.761 1.00 11.79 H new ATOM 0 HA THR A 135 31.286 39.016 33.783 1.00 16.99 H new ATOM 0 HB THR A 135 33.198 41.031 34.433 1.00 8.93 H new ATOM 0 HG1 THR A 135 33.865 39.194 35.223 1.00 10.42 H new ATOM 0 HG21 THR A 135 32.061 41.419 36.416 1.00 22.19 H new ATOM 0 HG22 THR A 135 31.130 41.753 35.179 1.00 22.19 H new ATOM 0 HG23 THR A 135 30.939 40.394 35.970 1.00 22.19 H new ATOM 1041 N ILE A 136 31.760 41.666 32.064 1.00 6.12 N ATOM 1042 CA ILE A 136 31.107 42.640 31.320 1.00 6.35 C ATOM 1043 C ILE A 136 30.174 41.946 30.246 1.00 3.00 C ATOM 1044 O ILE A 136 28.992 42.212 30.142 1.00 18.45 O ATOM 1045 CB ILE A 136 32.180 43.728 30.685 1.00 14.41 C ATOM 1046 CG1 ILE A 136 33.045 44.546 31.767 1.00 23.92 C ATOM 1047 CG2 ILE A 136 31.550 44.680 29.743 1.00 19.60 C ATOM 1048 CD1 ILE A 136 34.267 45.474 31.159 1.00 20.70 C ATOM 0 H ILE A 136 32.618 41.702 32.027 1.00 6.12 H new ATOM 0 HA ILE A 136 30.529 43.166 31.895 1.00 6.35 H new ATOM 0 HB ILE A 136 32.798 43.158 30.201 1.00 14.41 H new ATOM 0 HG12 ILE A 136 32.445 45.120 32.268 1.00 23.92 H new ATOM 0 HG13 ILE A 136 33.425 43.914 32.397 1.00 23.92 H new ATOM 0 HG21 ILE A 136 32.222 45.292 29.403 1.00 19.60 H new ATOM 0 HG22 ILE A 136 31.155 44.191 29.004 1.00 19.60 H new ATOM 0 HG23 ILE A 136 30.860 45.182 30.204 1.00 19.60 H new ATOM 0 HD11 ILE A 136 34.725 45.924 31.886 1.00 20.70 H new ATOM 0 HD12 ILE A 136 34.895 44.910 30.682 1.00 20.70 H new ATOM 0 HD13 ILE A 136 33.900 46.135 30.551 1.00 20.70 H new ATOM 1049 N ALA A 137 30.684 41.057 29.519 1.00 11.53 N ATOM 1050 CA ALA A 137 29.918 40.341 28.418 1.00 15.56 C ATOM 1051 C ALA A 137 28.612 39.478 28.889 1.00 16.19 C ATOM 1052 O ALA A 137 27.538 39.459 28.229 1.00 10.82 O ATOM 1053 CB ALA A 137 30.797 39.445 27.678 1.00 6.24 C ATOM 0 H ALA A 137 31.500 40.796 29.598 1.00 11.53 H new ATOM 0 HA ALA A 137 29.584 41.069 27.871 1.00 15.56 H new ATOM 0 HB1 ALA A 137 30.291 38.998 26.981 1.00 6.24 H new ATOM 0 HB2 ALA A 137 31.517 39.956 27.277 1.00 6.24 H new ATOM 0 HB3 ALA A 137 31.168 38.783 28.282 1.00 6.24 H new ATOM 1054 N TYR A 138 28.704 38.854 30.040 1.00 6.60 N ATOM 1055 CA TYR A 138 27.522 38.028 30.640 1.00 7.12 C ATOM 1056 C TYR A 138 26.489 38.911 31.084 1.00 11.32 C ATOM 1057 O TYR A 138 25.290 38.629 30.683 1.00 19.62 O ATOM 1058 CB TYR A 138 27.913 37.197 31.840 1.00 4.97 C ATOM 1059 CG TYR A 138 26.690 36.212 32.373 1.00 18.28 C ATOM 1060 CD1 TYR A 138 25.846 36.640 33.321 1.00 14.76 C ATOM 1061 CD2 TYR A 138 26.424 34.905 31.894 1.00 14.09 C ATOM 1062 CE1 TYR A 138 24.734 35.771 33.793 1.00 9.62 C ATOM 1063 CE2 TYR A 138 25.317 34.017 32.372 1.00 16.25 C ATOM 1064 CZ TYR A 138 24.474 34.457 33.323 1.00 11.12 C ATOM 1065 OH TYR A 138 23.339 33.555 33.836 1.00 9.80 O ATOM 0 H TYR A 138 29.411 38.861 30.529 1.00 6.60 H new ATOM 0 HA TYR A 138 27.232 37.438 29.927 1.00 7.12 H new ATOM 0 HB2 TYR A 138 28.684 36.653 31.613 1.00 4.97 H new ATOM 0 HB3 TYR A 138 28.184 37.787 32.561 1.00 4.97 H new ATOM 0 HD1 TYR A 138 25.956 37.488 33.687 1.00 14.76 H new ATOM 0 HD2 TYR A 138 26.982 34.572 31.229 1.00 14.09 H new ATOM 0 HE1 TYR A 138 24.167 36.115 34.445 1.00 9.62 H new ATOM 0 HE2 TYR A 138 25.213 33.165 32.013 1.00 16.25 H new ATOM 0 HH TYR A 138 23.264 33.644 34.668 1.00 9.80 H new ATOM 1066 N ASP A 139 26.952 39.923 31.894 1.00 15.78 N ATOM 1067 CA ASP A 139 26.089 40.870 32.415 1.00 11.59 C ATOM 1068 C ASP A 139 25.316 41.481 31.320 1.00 4.30 C ATOM 1069 O ASP A 139 24.087 41.560 31.483 1.00 13.01 O ATOM 1070 CB ASP A 139 26.939 42.049 33.150 1.00 9.89 C ATOM 1071 CG ASP A 139 27.223 41.563 34.543 1.00 11.69 C ATOM 1072 OD1 ASP A 139 26.688 40.396 34.886 1.00 12.27 O ATOM 1073 OD2 ASP A 139 28.218 42.155 35.189 1.00 17.67 O ATOM 0 H ASP A 139 27.776 40.025 32.118 1.00 15.78 H new ATOM 0 HA ASP A 139 25.498 40.438 33.051 1.00 11.59 H new ATOM 0 HB2 ASP A 139 27.764 42.230 32.672 1.00 9.89 H new ATOM 0 HB3 ASP A 139 26.435 42.878 33.169 1.00 9.89 H new ATOM 1074 N GLU A 140 26.034 41.925 30.270 1.00 3.93 N ATOM 1075 CA GLU A 140 25.412 42.572 29.170 1.00 10.62 C ATOM 1076 C GLU A 140 24.391 41.580 28.397 1.00 19.39 C ATOM 1077 O GLU A 140 23.287 41.924 28.038 1.00 12.75 O ATOM 1078 CB GLU A 140 26.486 43.311 28.216 1.00 3.59 C ATOM 1079 CG GLU A 140 27.420 44.487 28.911 1.00 18.56 C ATOM 1080 CD GLU A 140 26.613 45.538 29.484 1.00 32.53 C ATOM 1081 OE1 GLU A 140 25.563 45.792 28.909 1.00 16.18 O ATOM 1082 OE2 GLU A 140 27.164 46.374 30.330 1.00 22.11 O ATOM 0 H GLU A 140 26.888 41.847 30.202 1.00 3.93 H new ATOM 0 HA GLU A 140 24.857 43.289 29.514 1.00 10.62 H new ATOM 0 HB2 GLU A 140 27.076 42.636 27.846 1.00 3.59 H new ATOM 0 HB3 GLU A 140 26.006 43.707 27.472 1.00 3.59 H new ATOM 0 HG2 GLU A 140 27.977 44.093 29.601 1.00 18.56 H new ATOM 0 HG3 GLU A 140 28.017 44.863 28.245 1.00 18.56 H new ATOM 1083 N LEU A 141 24.713 40.364 28.241 1.00 12.92 N ATOM 1084 CA LEU A 141 23.777 39.306 27.572 1.00 6.67 C ATOM 1085 C LEU A 141 22.512 38.877 28.419 1.00 7.91 C ATOM 1086 O LEU A 141 21.361 38.693 27.884 1.00 17.49 O ATOM 1087 CB LEU A 141 24.489 38.078 27.239 1.00 8.40 C ATOM 1088 CG LEU A 141 23.603 36.985 26.396 1.00 4.38 C ATOM 1089 CD1 LEU A 141 23.082 37.574 25.106 1.00 5.93 C ATOM 1090 CD2 LEU A 141 24.371 35.802 26.067 1.00 3.00 C ATOM 0 H LEU A 141 25.470 40.043 28.494 1.00 12.92 H new ATOM 0 HA LEU A 141 23.468 39.775 26.781 1.00 6.67 H new ATOM 0 HB2 LEU A 141 25.278 38.305 26.723 1.00 8.40 H new ATOM 0 HB3 LEU A 141 24.797 37.663 28.060 1.00 8.40 H new ATOM 0 HG LEU A 141 22.863 36.741 26.974 1.00 4.38 H new ATOM 0 HD11 LEU A 141 22.564 36.906 24.631 1.00 5.93 H new ATOM 0 HD12 LEU A 141 22.519 38.339 25.303 1.00 5.93 H new ATOM 0 HD13 LEU A 141 23.828 37.856 24.554 1.00 5.93 H new ATOM 0 HD21 LEU A 141 23.814 35.182 25.571 1.00 3.00 H new ATOM 0 HD22 LEU A 141 25.136 36.053 25.526 1.00 3.00 H new ATOM 0 HD23 LEU A 141 24.678 35.378 26.884 1.00 3.00 H new ATOM 1091 N ALA A 142 22.734 38.820 29.710 1.00 8.15 N ATOM 1092 CA ALA A 142 21.647 38.436 30.677 1.00 13.70 C ATOM 1093 C ALA A 142 20.672 39.465 30.757 1.00 25.08 C ATOM 1094 O ALA A 142 19.426 39.052 30.858 1.00 11.92 O ATOM 1095 CB ALA A 142 22.226 38.219 32.073 1.00 4.47 C ATOM 0 H ALA A 142 23.493 38.993 30.076 1.00 8.15 H new ATOM 0 HA ALA A 142 21.241 37.616 30.356 1.00 13.70 H new ATOM 0 HB1 ALA A 142 21.514 37.972 32.684 1.00 4.47 H new ATOM 0 HB2 ALA A 142 22.886 37.509 32.043 1.00 4.47 H new ATOM 0 HB3 ALA A 142 22.646 39.038 32.380 1.00 4.47 H new ATOM 1096 N ILE A 143 21.211 40.750 30.629 1.00 18.45 N ATOM 1097 CA ILE A 143 20.353 41.826 30.641 1.00 15.82 C ATOM 1098 C ILE A 143 19.330 41.652 29.503 1.00 15.72 C ATOM 1099 O ILE A 143 18.115 41.777 29.716 1.00 17.39 O ATOM 1100 CB ILE A 143 21.219 43.245 30.564 1.00 13.11 C ATOM 1101 CG1 ILE A 143 21.996 43.608 31.870 1.00 9.08 C ATOM 1102 CG2 ILE A 143 20.381 44.366 30.205 1.00 22.92 C ATOM 1103 CD1 ILE A 143 22.936 44.976 31.751 1.00 21.96 C ATOM 0 H ILE A 143 22.046 40.936 30.542 1.00 18.45 H new ATOM 0 HA ILE A 143 19.852 41.870 31.470 1.00 15.82 H new ATOM 0 HB ILE A 143 21.877 43.075 29.872 1.00 13.11 H new ATOM 0 HG12 ILE A 143 21.358 43.729 32.590 1.00 9.08 H new ATOM 0 HG13 ILE A 143 22.562 42.860 32.115 1.00 9.08 H new ATOM 0 HG21 ILE A 143 20.918 45.173 30.170 1.00 22.92 H new ATOM 0 HG22 ILE A 143 19.981 44.206 29.336 1.00 22.92 H new ATOM 0 HG23 ILE A 143 19.681 44.472 30.868 1.00 22.92 H new ATOM 0 HD11 ILE A 143 23.384 45.135 32.596 1.00 21.96 H new ATOM 0 HD12 ILE A 143 23.598 44.854 31.052 1.00 21.96 H new ATOM 0 HD13 ILE A 143 22.375 45.737 31.535 1.00 21.96 H new ATOM 1104 N VAL A 144 19.810 41.258 28.367 1.00 8.19 N ATOM 1105 CA VAL A 144 18.980 41.039 27.158 1.00 18.97 C ATOM 1106 C VAL A 144 17.909 39.785 27.269 1.00 23.97 C ATOM 1107 O VAL A 144 16.699 39.862 26.988 1.00 22.95 O ATOM 1108 CB VAL A 144 19.877 40.942 25.916 1.00 18.38 C ATOM 1109 CG1 VAL A 144 19.042 40.620 24.632 1.00 21.63 C ATOM 1110 CG2 VAL A 144 20.930 42.226 25.736 1.00 24.24 C ATOM 0 H VAL A 144 20.646 41.098 28.243 1.00 8.19 H new ATOM 0 HA VAL A 144 18.407 41.817 27.073 1.00 18.97 H new ATOM 0 HB VAL A 144 20.466 40.185 26.060 1.00 18.38 H new ATOM 0 HG11 VAL A 144 19.634 40.565 23.866 1.00 21.63 H new ATOM 0 HG12 VAL A 144 18.584 39.773 24.748 1.00 21.63 H new ATOM 0 HG13 VAL A 144 18.389 41.322 24.486 1.00 21.63 H new ATOM 0 HG21 VAL A 144 21.462 42.098 24.935 1.00 24.24 H new ATOM 0 HG22 VAL A 144 20.425 43.051 25.660 1.00 24.24 H new ATOM 0 HG23 VAL A 144 21.515 42.276 26.508 1.00 24.24 H new ATOM 1111 N ILE A 145 18.320 38.700 27.763 1.00 17.70 N ATOM 1112 CA ILE A 145 17.372 37.439 27.920 1.00 24.97 C ATOM 1113 C ILE A 145 16.284 37.540 28.967 1.00 27.45 C ATOM 1114 O ILE A 145 15.062 37.177 28.668 1.00 26.61 O ATOM 1115 CB ILE A 145 18.131 36.231 28.186 1.00 30.11 C ATOM 1116 CG1 ILE A 145 19.068 36.033 26.998 1.00 13.39 C ATOM 1117 CG2 ILE A 145 17.152 34.915 28.480 1.00 28.64 C ATOM 1118 CD1 ILE A 145 19.932 34.911 27.256 1.00 14.64 C ATOM 0 H ILE A 145 19.124 38.575 28.041 1.00 17.70 H new ATOM 0 HA ILE A 145 16.926 37.406 27.059 1.00 24.97 H new ATOM 0 HB ILE A 145 18.647 36.322 29.002 1.00 30.11 H new ATOM 0 HG12 ILE A 145 18.554 35.880 26.190 1.00 13.39 H new ATOM 0 HG13 ILE A 145 19.595 36.834 26.852 1.00 13.39 H new ATOM 0 HG21 ILE A 145 17.702 34.134 28.652 1.00 28.64 H new ATOM 0 HG22 ILE A 145 16.594 35.093 29.253 1.00 28.64 H new ATOM 0 HG23 ILE A 145 16.590 34.750 27.707 1.00 28.64 H new ATOM 0 HD11 ILE A 145 20.529 34.782 26.503 1.00 14.64 H new ATOM 0 HD12 ILE A 145 20.454 35.081 28.056 1.00 14.64 H new ATOM 0 HD13 ILE A 145 19.396 34.112 27.384 1.00 14.64 H new ATOM 1119 N LYS A 146 16.710 38.183 30.074 1.00 10.35 N ATOM 1120 CA LYS A 146 15.806 38.464 31.154 1.00 5.02 C ATOM 1121 C LYS A 146 14.809 39.379 30.703 1.00 21.18 C ATOM 1122 O LYS A 146 13.637 39.213 31.192 1.00 28.93 O ATOM 1123 CB LYS A 146 16.636 39.108 32.350 1.00 15.80 C ATOM 1124 CG LYS A 146 17.042 38.009 33.273 1.00 14.79 C ATOM 1125 CD LYS A 146 18.375 38.464 34.029 1.00 10.63 C ATOM 1126 CE LYS A 146 18.401 39.790 34.803 1.00 28.31 C ATOM 1127 NZ LYS A 146 19.729 40.134 35.454 1.00 35.42 N ATOM 0 H LYS A 146 17.517 38.454 30.198 1.00 10.35 H new ATOM 0 HA LYS A 146 15.374 37.650 31.457 1.00 5.02 H new ATOM 0 HB2 LYS A 146 17.417 39.571 32.010 1.00 15.80 H new ATOM 0 HB3 LYS A 146 16.099 39.765 32.820 1.00 15.80 H new ATOM 0 HG2 LYS A 146 16.336 37.825 33.912 1.00 14.79 H new ATOM 0 HG3 LYS A 146 17.196 37.190 32.777 1.00 14.79 H new ATOM 0 HD2 LYS A 146 18.607 37.760 34.654 1.00 10.63 H new ATOM 0 HD3 LYS A 146 19.084 38.501 33.368 1.00 10.63 H new ATOM 0 HE2 LYS A 146 18.160 40.507 34.196 1.00 28.31 H new ATOM 0 HE3 LYS A 146 17.718 39.759 35.491 1.00 28.31 H new ATOM 0 HZ1 LYS A 146 19.695 40.962 35.779 1.00 35.42 H new ATOM 0 HZ2 LYS A 146 19.892 39.562 36.116 1.00 35.42 H new ATOM 0 HZ3 LYS A 146 20.379 40.080 34.849 1.00 35.42 H new ATOM 1128 N LYS A 147 15.240 40.250 29.750 1.00 19.72 N ATOM 1129 CA LYS A 147 14.336 41.127 29.188 1.00 24.26 C ATOM 1130 C LYS A 147 13.212 40.288 28.391 1.00 20.65 C ATOM 1131 O LYS A 147 11.993 40.428 28.558 1.00 29.35 O ATOM 1132 CB LYS A 147 15.113 42.230 28.276 1.00 31.69 C ATOM 1133 CG LYS A 147 14.207 43.256 27.805 1.00 42.28 C ATOM 1134 CD LYS A 147 14.971 44.422 26.965 0.00 0.00 C ATOM 1135 CE LYS A 147 15.518 43.929 25.645 0.00 0.00 C ATOM 1136 NZ LYS A 147 16.136 45.088 24.838 0.00 0.00 N ATOM 0 H LYS A 147 16.046 40.307 29.456 1.00 19.72 H new ATOM 0 HA LYS A 147 13.874 41.634 29.873 1.00 24.26 H new ATOM 0 HB2 LYS A 147 15.825 42.637 28.794 1.00 31.69 H new ATOM 0 HB3 LYS A 147 15.529 41.791 27.518 1.00 31.69 H new ATOM 0 HG2 LYS A 147 13.527 42.851 27.245 1.00 42.28 H new ATOM 0 HG3 LYS A 147 13.751 43.653 28.563 1.00 42.28 H new ATOM 0 HD2 LYS A 147 14.356 45.154 26.802 0.00 0.00 H new ATOM 0 HD3 LYS A 147 15.698 44.777 27.500 0.00 0.00 H new ATOM 0 HE2 LYS A 147 16.189 43.246 25.803 0.00 0.00 H new ATOM 0 HE3 LYS A 147 14.808 43.515 25.131 0.00 0.00 H new ATOM 0 HZ1 LYS A 147 16.452 44.777 24.066 0.00 0.00 H new ATOM 0 HZ2 LYS A 147 15.513 45.703 24.677 0.00 0.00 H new ATOM 0 HZ3 LYS A 147 16.800 45.453 25.304 0.00 0.00 H new ATOM 1137 N GLU A 148 13.641 39.398 27.592 1.00 15.04 N ATOM 1138 CA GLU A 148 12.713 38.507 26.734 1.00 14.33 C ATOM 1139 C GLU A 148 11.747 37.462 27.510 1.00 34.90 C ATOM 1140 O GLU A 148 10.589 37.051 27.049 1.00 32.25 O ATOM 1141 CB GLU A 148 13.506 37.809 25.699 1.00 5.45 C ATOM 1142 CG GLU A 148 14.447 38.857 24.871 1.00 29.92 C ATOM 1143 CD GLU A 148 13.611 39.865 24.279 1.00 45.62 C ATOM 1144 OE1 GLU A 148 12.673 39.464 23.472 1.00 37.71 O ATOM 1145 OE2 GLU A 148 13.948 41.114 24.468 1.00 47.30 O ATOM 0 H GLU A 148 14.477 39.234 27.477 1.00 15.04 H new ATOM 0 HA GLU A 148 12.085 39.136 26.346 1.00 14.33 H new ATOM 0 HB2 GLU A 148 14.061 37.131 26.115 1.00 5.45 H new ATOM 0 HB3 GLU A 148 12.910 37.351 25.086 1.00 5.45 H new ATOM 0 HG2 GLU A 148 15.096 39.266 25.464 1.00 29.92 H new ATOM 0 HG3 GLU A 148 14.946 38.389 24.184 1.00 29.92 H new ATOM 1146 N MET A 149 12.187 37.143 28.694 1.00 21.65 N ATOM 1147 CA MET A 149 11.357 36.225 29.616 1.00 20.57 C ATOM 1148 C MET A 149 10.223 36.879 30.227 1.00 28.71 C ATOM 1149 O MET A 149 9.053 36.218 30.327 1.00 27.01 O ATOM 1150 CB MET A 149 12.234 35.808 30.758 1.00 15.69 C ATOM 1151 CG MET A 149 13.139 34.796 30.277 1.00 15.11 C ATOM 1152 SD MET A 149 14.342 34.394 31.494 1.00 20.57 S ATOM 1153 CE MET A 149 13.220 33.968 32.890 1.00 15.48 C ATOM 0 H MET A 149 12.934 37.410 29.025 1.00 21.65 H new ATOM 0 HA MET A 149 11.037 35.497 29.060 1.00 20.57 H new ATOM 0 HB2 MET A 149 12.728 36.569 31.102 1.00 15.69 H new ATOM 0 HB3 MET A 149 11.698 35.464 31.489 1.00 15.69 H new ATOM 0 HG2 MET A 149 12.640 34.000 30.036 1.00 15.11 H new ATOM 0 HG3 MET A 149 13.581 35.109 29.472 1.00 15.11 H new ATOM 0 HE1 MET A 149 13.669 33.352 33.490 1.00 15.48 H new ATOM 0 HE2 MET A 149 12.984 34.775 33.374 1.00 15.48 H new ATOM 0 HE3 MET A 149 12.415 33.553 32.543 1.00 15.48 H new ATOM 1154 N ASP A 150 10.587 38.127 30.650 1.00 33.81 N ATOM 1155 CA ASP A 150 9.592 38.893 31.239 1.00 53.91 C ATOM 1156 C ASP A 150 8.513 39.092 30.217 1.00 44.43 C ATOM 1157 O ASP A 150 7.281 38.887 30.531 1.00 45.31 O ATOM 1158 CB ASP A 150 10.274 40.289 31.740 1.00 54.72 C ATOM 1159 CG ASP A 150 10.974 40.113 33.069 1.00 50.33 C ATOM 1160 OD1 ASP A 150 11.294 38.978 33.351 0.00 0.00 O ATOM 1161 OD2 ASP A 150 10.835 40.913 34.010 0.00 0.00 O ATOM 0 H ASP A 150 11.367 38.483 30.588 1.00 33.81 H new ATOM 0 HA ASP A 150 9.189 38.471 32.014 1.00 53.91 H new ATOM 0 HB2 ASP A 150 10.910 40.597 31.076 1.00 54.72 H new ATOM 0 HB3 ASP A 150 9.592 40.974 31.820 1.00 54.72 H new ATOM 1162 N ASP A 151 8.979 39.337 29.001 1.00 39.23 N ATOM 1163 CA ASP A 151 8.075 39.479 27.878 1.00 54.30 C ATOM 1164 C ASP A 151 7.289 38.134 27.414 1.00 58.88 C ATOM 1165 O ASP A 151 6.179 38.112 26.818 1.00 57.39 O ATOM 1166 CB ASP A 151 8.850 40.226 26.698 1.00 56.84 C ATOM 1167 CG ASP A 151 9.138 41.736 27.017 1.00 49.02 C ATOM 1168 OD1 ASP A 151 9.682 42.115 28.114 0.00 0.00 O ATOM 1169 OD2 ASP A 151 8.467 42.519 26.420 0.00 0.00 O ATOM 0 H ASP A 151 9.812 39.424 28.808 1.00 39.23 H new ATOM 0 HA ASP A 151 7.330 40.024 28.175 1.00 54.30 H new ATOM 0 HB2 ASP A 151 9.689 39.770 26.529 1.00 56.84 H new ATOM 0 HB3 ASP A 151 8.326 40.166 25.884 1.00 56.84 H new ATOM 1170 N ALA A 152 7.797 37.041 27.744 1.00 51.56 N ATOM 1171 CA ALA A 152 7.076 35.701 27.376 1.00 50.54 C ATOM 1172 C ALA A 152 6.025 35.149 28.416 1.00 56.45 C ATOM 1173 O ALA A 152 5.207 34.091 28.175 1.00 49.97 O ATOM 1174 CB ALA A 152 8.056 34.670 27.186 1.00 45.98 C ATOM 0 H ALA A 152 8.537 36.953 28.173 1.00 51.56 H new ATOM 0 HA ALA A 152 6.575 35.924 26.576 1.00 50.54 H new ATOM 0 HB1 ALA A 152 7.611 33.839 26.958 1.00 45.98 H new ATOM 0 HB2 ALA A 152 8.657 34.923 26.467 1.00 45.98 H new ATOM 0 HB3 ALA A 152 8.563 34.551 28.004 1.00 45.98 H new ATOM 1175 N ALA A 153 6.124 35.811 29.561 1.00 56.36 N ATOM 1176 CA ALA A 153 5.301 35.352 30.738 1.00 55.49 C ATOM 1177 C ALA A 153 3.925 35.832 30.773 1.00 50.86 C ATOM 1178 O ALA A 153 3.811 36.949 31.301 0.00 0.00 O ATOM 1179 CB ALA A 153 6.087 35.823 32.020 1.00 54.26 C ATOM 1180 OXT ALA A 153 2.956 35.226 30.099 0.00 0.00 O ATOM 0 H ALA A 153 6.626 36.495 29.700 1.00 56.36 H new ATOM 0 HA ALA A 153 5.197 34.389 30.679 1.00 55.49 H new ATOM 0 HB1 ALA A 153 5.601 35.553 32.815 1.00 54.26 H new ATOM 0 HB2 ALA A 153 6.968 35.417 32.027 1.00 54.26 H new ATOM 0 HB3 ALA A 153 6.176 36.789 32.008 1.00 54.26 H new TER 1181 ALA A 153 HETATM 1182 F F A 154 20.245 27.261 29.773 1.00 20.05 F HETATM 1183 FE HEM A 155 18.723 28.394 29.484 1.00 14.52 FE HETATM 1184 CHA HEM A 155 16.910 25.960 27.681 1.00 12.10 C HETATM 1185 CHB HEM A 155 20.499 29.740 26.827 1.00 13.08 C HETATM 1186 CHC HEM A 155 20.407 31.092 31.475 1.00 5.40 C HETATM 1187 CHD HEM A 155 17.254 26.996 32.414 1.00 15.17 C HETATM 1188 NA HEM A 155 18.693 27.954 27.622 1.00 3.00 N HETATM 1189 C1A HEM A 155 17.861 26.894 27.026 1.00 8.57 C HETATM 1190 C2A HEM A 155 18.192 26.878 25.605 1.00 19.54 C HETATM 1191 C3A HEM A 155 19.207 27.918 25.375 1.00 7.67 C HETATM 1192 C4A HEM A 155 19.523 28.606 26.645 1.00 23.58 C HETATM 1193 CMA HEM A 155 19.934 28.325 24.044 1.00 13.55 C HETATM 1194 CAA HEM A 155 17.544 25.813 24.595 1.00 33.07 C HETATM 1195 CBA HEM A 155 18.530 24.807 24.295 1.00 43.41 C HETATM 1196 CGA HEM A 155 17.872 23.722 23.331 0.00 0.00 C HETATM 1197 O1A HEM A 155 16.942 23.966 22.565 0.00 0.00 O HETATM 1198 O2A HEM A 155 18.431 22.699 23.111 0.00 0.00 O HETATM 1199 NB HEM A 155 20.204 30.131 29.219 1.00 12.85 N HETATM 1200 C1B HEM A 155 20.800 30.458 28.003 1.00 11.90 C HETATM 1201 C2B HEM A 155 21.794 31.679 28.138 1.00 11.84 C HETATM 1202 C3B HEM A 155 21.744 32.099 29.436 1.00 11.56 C HETATM 1203 C4B HEM A 155 20.743 31.101 30.121 1.00 4.71 C HETATM 1204 CMB HEM A 155 22.693 32.305 26.977 1.00 3.00 C HETATM 1205 CAB HEM A 155 22.583 33.334 30.126 1.00 14.32 C HETATM 1206 CBB HEM A 155 23.058 34.467 29.460 1.00 6.35 C HETATM 1207 NC HEM A 155 18.844 28.943 31.577 1.00 13.53 N HETATM 1208 C1C HEM A 155 19.538 30.098 32.152 1.00 12.39 C HETATM 1209 C2C HEM A 155 19.230 30.082 33.585 1.00 13.26 C HETATM 1210 C3C HEM A 155 18.404 28.911 33.848 1.00 20.88 C HETATM 1211 C4C HEM A 155 18.126 28.205 32.579 1.00 25.96 C HETATM 1212 CMC HEM A 155 19.782 31.188 34.597 1.00 4.22 C HETATM 1213 CAC HEM A 155 17.822 28.393 35.211 1.00 16.19 C HETATM 1214 CBC HEM A 155 18.405 27.500 35.904 1.00 3.71 C HETATM 1215 ND HEM A 155 17.344 26.760 29.981 1.00 24.88 N HETATM 1216 C1D HEM A 155 16.872 26.340 31.223 1.00 13.80 C HETATM 1217 C2D HEM A 155 15.875 25.118 31.083 1.00 13.54 C HETATM 1218 C3D HEM A 155 15.752 24.842 29.757 1.00 12.10 C HETATM 1219 C4D HEM A 155 16.681 25.881 29.054 1.00 16.29 C HETATM 1220 CMD HEM A 155 15.118 24.337 32.252 1.00 8.20 C HETATM 1221 CAD HEM A 155 14.844 23.642 29.095 1.00 13.80 C HETATM 1222 CBD HEM A 155 15.632 22.443 28.947 1.00 24.23 C HETATM 1223 CGD HEM A 155 14.647 21.154 28.669 1.00 47.71 C HETATM 1224 O1D HEM A 155 13.875 20.662 29.596 1.00 39.57 O HETATM 1225 O2D HEM A 155 14.918 20.382 27.749 1.00 46.21 O HETATM 0 HMA1 HEM A 155 20.169 29.265 24.078 1.00 13.55 H new HETATM 0 HMA2 HEM A 155 19.343 28.167 23.291 1.00 13.55 H new HETATM 0 HMA3 HEM A 155 20.739 27.794 23.939 1.00 13.55 H new HETATM 0 HMB1 HEM A 155 22.925 31.613 26.338 1.00 3.00 H new HETATM 0 HMB2 HEM A 155 23.504 32.676 27.359 1.00 3.00 H new HETATM 0 HMB3 HEM A 155 22.198 33.007 26.527 1.00 3.00 H new HETATM 0 HMC1 HEM A 155 20.638 31.518 34.281 1.00 4.22 H new HETATM 0 HMC2 HEM A 155 19.892 30.795 35.477 1.00 4.22 H new HETATM 0 HMC3 HEM A 155 19.152 31.923 34.648 1.00 4.22 H new HETATM 0 HMD1 HEM A 155 14.273 23.996 31.919 1.00 8.20 H new HETATM 0 HMD2 HEM A 155 14.953 24.942 32.992 1.00 8.20 H new HETATM 0 HMD3 HEM A 155 15.667 23.598 32.556 1.00 8.20 H new HETATM 0 HBB1 HEM A 155 23.545 35.148 29.949 1.00 6.35 H new HETATM 0 HBB2 HEM A 155 22.900 34.572 28.509 1.00 6.35 H new HETATM 0 HBC1 HEM A 155 18.015 27.205 36.742 1.00 3.71 H new HETATM 0 HBC2 HEM A 155 19.240 27.114 35.595 1.00 3.71 H new HETATM 0 HBA1 HEM A 155 18.842 24.387 25.112 1.00 43.41 H new HETATM 0 HBA2 HEM A 155 19.303 25.210 23.870 1.00 43.41 H new HETATM 0 HAA1 HEM A 155 17.254 26.254 23.781 1.00 33.07 H new HETATM 0 HAA2 HEM A 155 16.758 25.406 24.993 1.00 33.07 H new HETATM 0 HBD1 HEM A 155 16.158 22.291 29.748 1.00 24.23 H new HETATM 0 HBD2 HEM A 155 16.257 22.546 28.213 1.00 24.23 H new HETATM 0 HAD1 HEM A 155 14.506 23.923 28.231 1.00 13.80 H new HETATM 0 HAD2 HEM A 155 14.074 23.463 29.657 1.00 13.80 H new HETATM 0 HHA HEM A 155 16.430 25.383 27.132 1.00 12.10 H new HETATM 0 HHB HEM A 155 20.963 30.000 26.064 1.00 13.08 H new HETATM 0 HHC HEM A 155 20.760 31.772 32.002 1.00 5.40 H new HETATM 0 HHD HEM A 155 16.920 26.629 33.201 1.00 15.17 H new HETATM 0 HAB HEM A 155 22.764 33.270 31.077 1.00 14.32 H new HETATM 0 HAC HEM A 155 16.988 28.767 35.536 1.00 16.19 H new HETATM 1226 O HOH A 156 25.922 14.939 29.327 1.00 9.99 O HETATM 1227 O HOH A 157 28.437 16.565 28.882 1.00 12.94 O HETATM 1228 O HOH A 158 23.395 44.761 27.366 1.00 17.60 O HETATM 1229 O HOH A 159 47.329 35.292 36.771 1.00 24.46 O HETATM 1230 O HOH A 160 25.075 36.480 21.781 1.00 21.52 O HETATM 1231 O HOH A 161 26.819 36.282 40.233 1.00 29.70 O HETATM 1232 O HOH A 162 26.612 19.282 41.880 1.00 36.63 O HETATM 1233 O HOH A 163 31.512 50.556 15.286 1.00 27.00 O HETATM 1234 O HOH A 164 29.379 38.828 17.694 1.00 25.05 O HETATM 1235 O HOH A 165 27.914 51.938 19.992 1.00 12.72 O HETATM 1236 O HOH A 166 19.472 45.227 20.173 1.00 26.77 O HETATM 1237 O HOH A 167 21.462 47.545 20.871 1.00 16.87 O HETATM 1238 O HOH A 168 22.001 46.781 23.546 1.00 28.42 O HETATM 1239 O HOH A 169 24.502 46.568 25.227 1.00 22.90 O HETATM 1240 O HOH A 170 21.659 48.146 29.437 1.00 25.87 O HETATM 1241 O HOH A 171 24.589 48.105 29.805 1.00 11.89 O HETATM 1242 O HOH A 172 25.658 47.745 32.346 1.00 19.98 O HETATM 1243 O HOH A 173 15.880 30.377 20.549 1.00 43.71 O HETATM 1244 O HOH A 174 34.257 19.999 22.060 1.00 32.11 O HETATM 1245 O HOH A 175 19.404 19.935 24.021 1.00 53.09 O HETATM 1246 O HOH A 176 30.427 38.689 39.982 1.00 28.64 O HETATM 1247 O HOH A 177 33.052 39.762 38.276 1.00 18.35 O HETATM 1248 O HOH A 178 42.289 26.017 36.067 1.00 45.48 O HETATM 1249 O HOH A 179 29.743 51.190 25.088 1.00 15.15 O HETATM 1250 O HOH A 180 23.496 39.620 17.437 1.00 32.30 O HETATM 1251 O HOH A 181 29.721 25.762 20.300 1.00 51.17 O HETATM 1252 O HOH A 182 40.801 45.317 34.586 1.00 48.90 O HETATM 1253 O HOH A 183 13.496 35.521 40.367 1.00 24.11 O HETATM 1254 O HOH A 184 22.713 41.368 34.071 1.00 26.64 O HETATM 1255 O HOH A 185 13.326 23.604 41.580 1.00 48.30 O HETATM 1256 O HOH A 186 17.089 42.866 32.009 1.00 32.69 O HETATM 1257 O HOH A 187 25.754 38.706 39.357 1.00 44.15 O HETATM 1258 O HOH A 188 17.361 21.468 25.888 1.00 41.90 O HETATM 1259 O HOH A 189 21.482 46.567 27.092 1.00 40.51 O HETATM 1260 O HOH A 190 29.348 44.495 33.773 1.00 37.27 O HETATM 1261 O HOH A 191 38.192 41.925 37.429 1.00 43.13 O HETATM 1262 O HOH A 192 43.942 37.597 30.819 1.00 40.11 O HETATM 1263 O HOH A 193 47.254 27.815 33.400 1.00 50.81 O HETATM 1264 O HOH A 194 38.046 48.907 21.211 1.00 47.95 O HETATM 1265 O HOH A 195 25.118 39.223 21.031 1.00 49.37 O HETATM 1266 O HOH A 196 25.649 23.411 20.989 1.00 41.63 O HETATM 1267 O HOH A 197 31.724 48.590 24.722 1.00 42.09 O HETATM 1268 O HOH A 198 21.808 9.827 34.725 1.00 37.61 O HETATM 1269 O HOH A 199 20.053 9.651 31.528 1.00 36.91 O HETATM 1270 O HOH A 200 18.331 11.719 31.058 1.00 47.00 O HETATM 1271 O HOH A 201 35.630 15.424 26.000 1.00 39.41 O HETATM 1272 O HOH A 202 40.047 23.725 26.780 1.00 43.62 O HETATM 1273 O HOH A 203 42.616 32.408 26.345 1.00 43.63 O HETATM 1274 O HOH A 204 42.285 34.730 19.270 1.00 44.73 O HETATM 1275 O HOH A 205 42.042 37.382 20.279 1.00 49.55 O HETATM 1276 O HOH A 206 42.717 30.767 22.506 1.00 37.32 O HETATM 1277 O HOH A 207 16.843 12.254 43.210 1.00 56.05 O HETATM 1278 O HOH A 208 26.960 38.430 16.214 1.00 39.78 O HETATM 1279 O HOH A 209 29.211 14.850 21.993 1.00 40.31 O HETATM 1280 O HOH A 210 23.421 37.597 37.263 1.00 46.73 O HETATM 1281 O HOH A 211 20.612 38.425 37.688 1.00 36.65 O HETATM 1282 O HOH A 212 36.835 34.578 35.447 1.00 33.83 O HETATM 1283 O HOH A 213 11.748 35.880 37.291 1.00 32.57 O HETATM 1284 O HOH A 214 24.028 39.293 35.067 1.00 39.88 O HETATM 1285 O HOH A 215 30.362 27.030 22.865 1.00 36.96 O HETATM 1286 O HOH A 216 36.150 23.593 33.454 1.00 43.27 O HETATM 1287 O HOH A 217 27.952 51.100 36.216 1.00 38.54 O HETATM 1288 O HOH A 218 21.972 27.321 31.755 1.00 29.24 O HETATM 1289 O HOH A 219 46.481 37.246 29.864 1.00 52.48 O HETATM 1290 O HOH A 220 20.613 15.364 37.323 1.00 49.30 O HETATM 1291 O HOH A 221 45.494 42.272 24.534 1.00 51.58 O HETATM 1292 O HOH A 222 43.713 49.480 24.189 1.00 54.23 O CONECT 746 1183 CONECT 1182 1183 CONECT 1183 746 1182 1188 1199 CONECT 1183 1207 1215 CONECT 1184 1189 1219 CONECT 1185 1192 1200 CONECT 1186 1203 1208 CONECT 1187 1211 1216 CONECT 1188 1183 1189 1192 CONECT 1189 1184 1188 1190 CONECT 1190 1189 1191 1194 CONECT 1191 1190 1192 1193 CONECT 1192 1185 1188 1191 CONECT 1193 1191 CONECT 1194 1190 1195 CONECT 1195 1194 1196 CONECT 1196 1195 1197 1198 CONECT 1197 1196 CONECT 1198 1196 CONECT 1199 1183 1200 1203 CONECT 1200 1185 1199 1201 CONECT 1201 1200 1202 1204 CONECT 1202 1201 1203 1205 CONECT 1203 1186 1199 1202 CONECT 1204 1201 CONECT 1205 1202 1206 CONECT 1206 1205 CONECT 1207 1183 1208 1211 CONECT 1208 1186 1207 1209 CONECT 1209 1208 1210 1212 CONECT 1210 1209 1211 1213 CONECT 1211 1187 1207 1210 CONECT 1212 1209 CONECT 1213 1210 1214 CONECT 1214 1213 CONECT 1215 1183 1216 1219 CONECT 1216 1187 1215 1217 CONECT 1217 1216 1218 1220 CONECT 1218 1217 1219 1221 CONECT 1219 1184 1215 1218 CONECT 1220 1217 CONECT 1221 1218 1222 CONECT 1222 1221 1223 CONECT 1223 1222 1224 1225 CONECT 1224 1223 CONECT 1225 1223 END