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 2LH2 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 (AQUO 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 2LH2 1 VERSN REVDAT 2 30-SEP-83 2LH2 1 REVDAT REVDAT 1 20-JAN-83 2LH2 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 2LH2 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 (%): 55.23 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.75 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 46.61000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 26.00500 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 46.61000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 26.00500 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 = 7.49 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 154 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 154 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 O A 155 O REMARK 620 2 HIS A 97 NE2 170.9 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 HEM A 154 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE O A 155 DBREF 2LH2 A 1 153 UNP P02240 LGB2_LUPLU 1 153 SEQADV 2LH2 GLU A 79 UNP P02240 GLN 79 CONFLICT SEQADV 2LH2 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 HEM A 154 43 HET O A 155 1 HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETNAM O OXYGEN ATOM HETSYN HEM HEME FORMUL 2 HEM C34 H32 FE N4 O4 FORMUL 3 O O 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 FE HEM A 154 O O A 155 1555 1555 1.87 LINK NE2 HIS A 97 FE HEM A 154 1555 1555 2.12 SITE *** AC1 14 LEU A 43 PHE A 44 SER A 45 HIS A 63 SITE *** AC1 14 VAL A 67 LEU A 93 HIS A 97 LYS A 100 SITE *** AC1 14 VAL A 102 HIS A 106 PHE A 107 VAL A 110 SITE *** AC1 14 TYR A 138 O A 155 SITE *** AC2 4 HIS A 63 VAL A 67 HEM A 154 HOH A 218 CRYST1 93.220 38.260 52.010 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 0.010727 0.001661 0.000000 0.00000 SCALE2 0.000000 0.026448 0.000000 0.00000 SCALE3 0.000000 0.000000 0.019227 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 154 HEMFE :(H bumps) USER MOD Set 1.1: A 7 GLN : amide:sc= 0.0351 K(o=1.2,f=-4.7!) USER MOD Set 1.2: A 132 SER OG A: rot -23: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 132:sc= 0.693 USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0.49 USER MOD Single : A 1 GLY N :NH3+ -172:sc= -0.0485 (180deg=-0.187) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -13:sc= 1.2 USER MOD Single : A 19 ASN : amide:sc= 1.01 K(o=1,f=-1.1) USER MOD Single : A 21 ASN : amide:sc= -3.99! K(o=-4!,f=-1) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -1.69 K(o=-1.7,f=-0.11) USER MOD Single : A 26 THR OG1 : rot -76:sc= 1.23 USER MOD Single : A 27 HIS : no HD1:sc= -0.576 X(o=-0.58,f=-0.19) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -83:sc= 0.0235 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -70:sc= 1.24 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.166 K(o=-0.17,f=-2.2!) USER MOD Single : A 56 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.056) USER MOD Single : A 57 ASN : amide:sc= -1.44 K(o=-1.4,f=-6.4!) USER MOD Single : A 61 GLN : amide:sc= -2.39! K(o=-2.4!,f=-0.23) USER MOD Single : A 63 HIS : no HD1:sc= -3.33! K(o=-3.3!,f=-1.1) 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= -2.62! K(o=-2.6!,f=0.16) USER MOD Single : A 81 THR OG1 : rot -66:sc= 1.36 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00406 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.258 X(o=-0.26,f=-0.011) 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= 0.947 K(o=0.95,f=-5.9!) USER MOD Single : A 111 LYS NZ :NH3+ 173:sc= 0.952 (180deg=0.877) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 68:sc= 0.615 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 153:sc= 0.027 (180deg=-0.293) USER MOD Single : A 127 SER OG : rot -94:sc= 1.35 USER MOD Single : A 131 ASN : amide:sc= 0.353 X(o=0.35,f=0.6) USER MOD Single : A 132 SER OG B: rot 81:sc= 1.25 USER MOD Single : A 132 SER OG C: rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot 85:sc= 1.97 USER MOD Single : A 138 TYR OH : rot -41:sc= 0.67 USER MOD Single : A 146 LYS NZ :NH3+ 171:sc= 0.503 (180deg=0.462) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 MET CE :methyl 153:sc= -0.316 (180deg=-1.53!) USER MOD Single : A 154 HEM CMA :methyl -30:sc= -0.542 (180deg=-2.22) USER MOD Single : A 154 HEM CMB :methyl -30:sc= -0.266 (180deg=-2.07!) USER MOD Single : A 154 HEM CMC :methyl -30:sc= -0.585 (180deg=-3.22!) USER MOD Single : A 154 HEM CMD :methyl 150:sc= -0.489 (180deg=-0.489) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 35.517 49.558 32.373 1.00 64.30 N ATOM 2 CA GLY A 1 36.593 49.038 31.621 1.00 64.64 C ATOM 3 C GLY A 1 36.532 49.300 30.120 1.00 67.70 C ATOM 4 O GLY A 1 37.614 49.597 29.470 0.00 0.00 O ATOM 0 H1 GLY A 1 35.688 49.463 33.241 1.00 64.30 H new ATOM 0 H2 GLY A 1 35.412 50.421 32.184 1.00 64.30 H new ATOM 0 H3 GLY A 1 34.771 49.118 32.168 1.00 64.30 H new ATOM 0 HA2 GLY A 1 37.419 49.412 31.966 1.00 64.64 H new ATOM 0 HA3 GLY A 1 36.634 48.080 31.765 1.00 64.64 H new ATOM 5 N ALA A 2 35.283 49.235 29.653 1.00 66.13 N ATOM 6 CA ALA A 2 34.822 49.507 28.296 1.00 57.83 C ATOM 7 C ALA A 2 34.607 48.294 27.358 1.00 44.32 C ATOM 8 O ALA A 2 33.552 48.108 26.663 1.00 55.01 O ATOM 9 CB ALA A 2 35.689 50.724 27.605 0.00 0.00 C ATOM 0 H ALA A 2 34.632 49.012 30.168 1.00 66.13 H new ATOM 0 HA ALA A 2 33.908 49.807 28.420 1.00 57.83 H new ATOM 0 HB1 ALA A 2 35.363 50.884 26.706 0.00 0.00 H new ATOM 0 HB2 ALA A 2 35.590 51.532 28.133 0.00 0.00 H new ATOM 0 HB3 ALA A 2 36.626 50.474 27.569 0.00 0.00 H new ATOM 10 N LEU A 3 35.682 47.707 27.172 1.00 50.10 N ATOM 11 CA LEU A 3 35.913 46.733 26.119 1.00 31.95 C ATOM 12 C LEU A 3 36.887 47.329 25.032 1.00 37.17 C ATOM 13 O LEU A 3 36.496 47.733 23.929 1.00 33.74 O ATOM 14 CB LEU A 3 34.686 45.757 25.594 1.00 36.94 C ATOM 15 CG LEU A 3 34.497 44.431 26.404 1.00 26.26 C ATOM 16 CD1 LEU A 3 32.998 43.878 26.661 1.00 42.22 C ATOM 17 CD2 LEU A 3 35.221 43.359 25.734 1.00 32.75 C ATOM 0 H LEU A 3 36.374 47.842 27.665 1.00 50.10 H new ATOM 0 HA LEU A 3 36.365 46.002 26.569 1.00 31.95 H new ATOM 0 HB2 LEU A 3 33.857 46.259 25.625 1.00 36.94 H new ATOM 0 HB3 LEU A 3 34.847 45.531 24.664 1.00 36.94 H new ATOM 0 HG LEU A 3 34.828 44.678 27.282 1.00 26.26 H new ATOM 0 HD11 LEU A 3 33.040 43.055 27.173 1.00 42.22 H new ATOM 0 HD12 LEU A 3 32.489 44.540 27.155 1.00 42.22 H new ATOM 0 HD13 LEU A 3 32.565 43.707 25.810 1.00 42.22 H new ATOM 0 HD21 LEU A 3 35.109 42.533 26.230 1.00 32.75 H new ATOM 0 HD22 LEU A 3 34.873 43.246 24.836 1.00 32.75 H new ATOM 0 HD23 LEU A 3 36.164 43.583 25.690 1.00 32.75 H new ATOM 18 N THR A 4 38.144 47.418 25.423 1.00 22.23 N ATOM 19 CA THR A 4 39.283 47.934 24.584 1.00 30.37 C ATOM 20 C THR A 4 39.613 46.806 23.690 1.00 16.32 C ATOM 21 O THR A 4 39.072 45.600 23.885 1.00 16.33 O ATOM 22 CB THR A 4 40.528 48.405 25.458 1.00 35.44 C ATOM 23 OG1 THR A 4 41.032 47.229 25.940 1.00 33.18 O ATOM 24 CG2 THR A 4 40.189 49.295 26.632 1.00 29.32 C ATOM 0 H THR A 4 38.395 47.177 26.210 1.00 22.23 H new ATOM 0 HA THR A 4 39.038 48.733 24.091 1.00 30.37 H new ATOM 0 HB THR A 4 41.127 48.938 24.913 1.00 35.44 H new ATOM 0 HG1 THR A 4 41.864 47.213 25.826 1.00 33.18 H new ATOM 0 HG21 THR A 4 41.002 49.532 27.104 1.00 29.32 H new ATOM 0 HG22 THR A 4 39.755 50.101 26.312 1.00 29.32 H new ATOM 0 HG23 THR A 4 39.592 48.824 27.234 1.00 29.32 H new ATOM 25 N GLU A 5 40.405 47.216 22.703 1.00 15.27 N ATOM 26 CA GLU A 5 40.789 46.281 21.724 1.00 14.16 C ATOM 27 C GLU A 5 41.499 45.207 22.379 1.00 28.80 C ATOM 28 O GLU A 5 41.263 44.004 21.977 1.00 26.25 O ATOM 29 CB GLU A 5 41.699 47.109 20.680 1.00 32.31 C ATOM 30 CG GLU A 5 41.780 46.338 19.359 1.00 57.61 C ATOM 31 CD GLU A 5 42.206 47.370 18.253 1.00 62.35 C ATOM 32 OE1 GLU A 5 41.309 47.890 17.650 1.00 52.09 O ATOM 33 OE2 GLU A 5 43.413 47.956 18.199 1.00 54.56 O ATOM 0 H GLU A 5 40.711 48.014 22.604 1.00 15.27 H new ATOM 0 HA GLU A 5 40.049 45.871 21.249 1.00 14.16 H new ATOM 0 HB2 GLU A 5 41.319 47.989 20.530 1.00 32.31 H new ATOM 0 HB3 GLU A 5 42.588 47.242 21.044 1.00 32.31 H new ATOM 0 HG2 GLU A 5 42.425 45.616 19.422 1.00 57.61 H new ATOM 0 HG3 GLU A 5 40.924 45.936 19.143 1.00 57.61 H new ATOM 34 N SER A 6 42.212 45.601 23.454 1.00 24.33 N ATOM 35 CA SER A 6 42.926 44.661 24.195 1.00 9.70 C ATOM 36 C SER A 6 41.973 43.694 25.065 1.00 16.17 C ATOM 37 O SER A 6 42.156 42.484 25.176 1.00 15.37 O ATOM 38 CB SER A 6 44.052 45.412 25.087 1.00 20.57 C ATOM 39 OG SER A 6 43.459 45.975 26.218 1.00 51.61 O ATOM 0 H SER A 6 42.269 46.411 23.736 1.00 24.33 H new ATOM 0 HA SER A 6 43.378 44.065 23.577 1.00 9.70 H new ATOM 0 HB2 SER A 6 44.740 44.782 25.352 1.00 20.57 H new ATOM 0 HB3 SER A 6 44.486 46.102 24.561 1.00 20.57 H new ATOM 0 HG SER A 6 44.045 46.362 26.678 1.00 51.61 H new ATOM 40 N GLN A 7 40.968 44.206 25.619 1.00 15.03 N ATOM 41 CA GLN A 7 39.965 43.321 26.414 1.00 14.90 C ATOM 42 C GLN A 7 39.193 42.224 25.537 1.00 18.19 C ATOM 43 O GLN A 7 39.002 41.021 25.943 1.00 16.00 O ATOM 44 CB GLN A 7 38.945 44.097 27.110 1.00 14.55 C ATOM 45 CG GLN A 7 39.568 44.882 28.340 1.00 21.44 C ATOM 46 CD GLN A 7 38.509 45.619 28.984 1.00 29.87 C ATOM 47 OE1 GLN A 7 38.029 46.491 28.308 1.00 34.80 O ATOM 48 NE2 GLN A 7 38.520 45.604 30.307 1.00 34.60 N ATOM 0 H GLN A 7 40.774 45.044 25.598 1.00 15.03 H new ATOM 0 HA GLN A 7 40.547 42.869 27.045 1.00 14.90 H new ATOM 0 HB2 GLN A 7 38.536 44.725 26.495 1.00 14.55 H new ATOM 0 HB3 GLN A 7 38.241 43.507 27.422 1.00 14.55 H new ATOM 0 HG2 GLN A 7 39.978 44.263 28.964 1.00 21.44 H new ATOM 0 HG3 GLN A 7 40.266 45.485 28.039 1.00 21.44 H new ATOM 0 HE21 GLN A 7 38.882 44.946 30.727 1.00 34.60 H new ATOM 0 HE22 GLN A 7 38.165 46.252 30.747 1.00 34.60 H new ATOM 49 N ALA A 8 38.818 42.644 24.367 1.00 23.02 N ATOM 50 CA ALA A 8 38.034 41.707 23.427 1.00 27.32 C ATOM 51 C ALA A 8 38.847 40.643 22.915 1.00 29.14 C ATOM 52 O ALA A 8 38.278 39.444 22.747 1.00 19.01 O ATOM 53 CB ALA A 8 37.512 42.467 22.242 1.00 16.09 C ATOM 0 H ALA A 8 38.973 43.430 24.055 1.00 23.02 H new ATOM 0 HA ALA A 8 37.312 41.338 23.959 1.00 27.32 H new ATOM 0 HB1 ALA A 8 37.022 41.864 21.661 1.00 16.09 H new ATOM 0 HB2 ALA A 8 36.922 43.174 22.545 1.00 16.09 H new ATOM 0 HB3 ALA A 8 38.255 42.854 21.753 1.00 16.09 H new ATOM 54 N ALA A 9 40.159 41.053 22.792 1.00 26.28 N ATOM 55 CA ALA A 9 41.069 40.120 22.364 1.00 11.72 C ATOM 56 C ALA A 9 41.185 39.063 23.436 1.00 16.90 C ATOM 57 O ALA A 9 41.368 37.892 23.109 1.00 22.18 O ATOM 58 CB ALA A 9 42.492 40.887 22.058 1.00 19.76 C ATOM 0 H ALA A 9 40.464 41.840 22.958 1.00 26.28 H new ATOM 0 HA ALA A 9 40.796 39.682 21.543 1.00 11.72 H new ATOM 0 HB1 ALA A 9 43.149 40.241 21.754 1.00 19.76 H new ATOM 0 HB2 ALA A 9 42.357 41.558 21.371 1.00 19.76 H new ATOM 0 HB3 ALA A 9 42.811 41.314 22.869 1.00 19.76 H new ATOM 59 N LEU A 10 41.041 39.476 24.672 1.00 20.77 N ATOM 60 CA LEU A 10 41.098 38.562 25.808 1.00 15.88 C ATOM 61 C LEU A 10 39.824 37.518 25.900 1.00 17.99 C ATOM 62 O LEU A 10 39.926 36.310 26.162 1.00 9.74 O ATOM 63 CB LEU A 10 41.308 39.330 27.143 1.00 21.19 C ATOM 64 CG LEU A 10 42.768 40.064 27.310 1.00 24.59 C ATOM 65 CD1 LEU A 10 42.947 40.825 28.652 1.00 25.18 C ATOM 66 CD2 LEU A 10 43.793 39.073 27.172 1.00 17.33 C ATOM 0 H LEU A 10 40.906 40.298 24.888 1.00 20.77 H new ATOM 0 HA LEU A 10 41.875 38.002 25.652 1.00 15.88 H new ATOM 0 HB2 LEU A 10 40.614 40.002 27.225 1.00 21.19 H new ATOM 0 HB3 LEU A 10 41.189 38.709 27.878 1.00 21.19 H new ATOM 0 HG LEU A 10 42.828 40.739 26.616 1.00 24.59 H new ATOM 0 HD11 LEU A 10 43.828 41.230 28.679 1.00 25.18 H new ATOM 0 HD12 LEU A 10 42.271 41.517 28.725 1.00 25.18 H new ATOM 0 HD13 LEU A 10 42.854 40.204 29.391 1.00 25.18 H new ATOM 0 HD21 LEU A 10 44.663 39.491 27.268 1.00 17.33 H new ATOM 0 HD22 LEU A 10 43.683 38.396 27.857 1.00 17.33 H new ATOM 0 HD23 LEU A 10 43.728 38.660 26.297 1.00 17.33 H new ATOM 67 N VAL A 11 38.680 37.966 25.641 1.00 20.42 N ATOM 68 CA VAL A 11 37.407 37.019 25.630 1.00 12.01 C ATOM 69 C VAL A 11 37.402 35.997 24.499 1.00 22.85 C ATOM 70 O VAL A 11 37.074 34.756 24.731 1.00 13.25 O ATOM 71 CB VAL A 11 36.170 37.762 25.535 1.00 18.55 C ATOM 72 CG1 VAL A 11 34.833 36.793 25.275 1.00 10.68 C ATOM 73 CG2 VAL A 11 36.054 38.636 26.783 1.00 7.46 C ATOM 0 H VAL A 11 38.515 38.790 25.458 1.00 20.42 H new ATOM 0 HA VAL A 11 37.467 36.553 26.478 1.00 12.01 H new ATOM 0 HB VAL A 11 36.192 38.327 24.747 1.00 18.55 H new ATOM 0 HG11 VAL A 11 34.038 37.346 25.221 1.00 10.68 H new ATOM 0 HG12 VAL A 11 34.944 36.304 24.444 1.00 10.68 H new ATOM 0 HG13 VAL A 11 34.740 36.166 26.009 1.00 10.68 H new ATOM 0 HG21 VAL A 11 35.230 39.147 26.745 1.00 7.46 H new ATOM 0 HG22 VAL A 11 36.049 38.073 27.573 1.00 7.46 H new ATOM 0 HG23 VAL A 11 36.809 39.243 26.824 1.00 7.46 H new ATOM 74 N LYS A 12 37.876 36.495 23.346 1.00 25.21 N ATOM 75 CA LYS A 12 37.882 35.619 22.174 1.00 21.60 C ATOM 76 C LYS A 12 38.787 34.539 22.341 1.00 14.36 C ATOM 77 O LYS A 12 38.355 33.325 22.059 1.00 11.95 O ATOM 78 CB LYS A 12 38.272 36.446 20.896 1.00 22.35 C ATOM 79 CG LYS A 12 38.119 35.521 19.657 1.00 26.69 C ATOM 80 CD LYS A 12 38.404 36.310 18.345 1.00 38.21 C ATOM 81 CE LYS A 12 38.359 35.340 17.145 1.00 41.89 C ATOM 82 NZ LYS A 12 37.043 34.456 17.083 0.00 0.00 N ATOM 0 H LYS A 12 38.181 37.290 23.228 1.00 25.21 H new ATOM 0 HA LYS A 12 36.991 35.251 22.067 1.00 21.60 H new ATOM 0 HB2 LYS A 12 37.701 37.225 20.810 1.00 22.35 H new ATOM 0 HB3 LYS A 12 39.184 36.769 20.967 1.00 22.35 H new ATOM 0 HG2 LYS A 12 38.731 34.772 19.729 1.00 26.69 H new ATOM 0 HG3 LYS A 12 37.222 35.153 19.631 1.00 26.69 H new ATOM 0 HD2 LYS A 12 37.747 37.014 18.230 1.00 38.21 H new ATOM 0 HD3 LYS A 12 39.273 36.738 18.395 1.00 38.21 H new ATOM 0 HE2 LYS A 12 38.434 35.851 16.324 1.00 41.89 H new ATOM 0 HE3 LYS A 12 39.131 34.754 17.185 1.00 41.89 H new ATOM 0 HZ1 LYS A 12 37.078 33.921 16.373 0.00 0.00 H new ATOM 0 HZ2 LYS A 12 36.981 33.964 17.822 0.00 0.00 H new ATOM 0 HZ3 LYS A 12 36.331 34.987 17.019 0.00 0.00 H new ATOM 83 N SER A 13 39.967 34.965 22.870 1.00 12.47 N ATOM 84 CA SER A 13 40.941 34.050 23.141 1.00 12.44 C ATOM 85 C SER A 13 40.434 32.967 24.177 1.00 23.48 C ATOM 86 O SER A 13 40.628 31.764 24.021 1.00 11.56 O ATOM 87 CB SER A 13 42.263 34.879 23.659 1.00 6.51 C ATOM 88 OG SER A 13 43.229 33.987 23.860 1.00 46.38 O ATOM 0 H SER A 13 40.162 35.782 23.055 1.00 12.47 H new ATOM 0 HA SER A 13 41.178 33.545 22.348 1.00 12.44 H new ATOM 0 HB2 SER A 13 42.535 35.537 23.000 1.00 6.51 H new ATOM 0 HB3 SER A 13 42.066 35.362 24.477 1.00 6.51 H new ATOM 0 HG SER A 13 43.923 34.380 24.125 1.00 46.38 H new ATOM 89 N SER A 14 39.870 33.403 25.244 1.00 26.10 N ATOM 90 CA SER A 14 39.366 32.480 26.337 1.00 12.97 C ATOM 91 C SER A 14 38.093 31.531 25.924 1.00 17.32 C ATOM 92 O SER A 14 37.890 30.332 26.335 1.00 13.06 O ATOM 93 CB SER A 14 39.071 33.272 27.595 1.00 7.71 C ATOM 94 OG SER A 14 38.087 34.119 27.283 1.00 20.15 O ATOM 0 H SER A 14 39.743 34.238 25.406 1.00 26.10 H new ATOM 0 HA SER A 14 40.089 31.854 26.498 1.00 12.97 H new ATOM 0 HB2 SER A 14 38.805 32.684 28.319 1.00 7.71 H new ATOM 0 HB3 SER A 14 39.859 33.752 27.894 1.00 7.71 H new ATOM 0 HG SER A 14 37.988 34.139 26.449 1.00 20.15 H new ATOM 95 N TRP A 15 37.350 32.015 25.019 1.00 16.04 N ATOM 96 CA TRP A 15 36.176 31.157 24.449 1.00 19.91 C ATOM 97 C TRP A 15 36.585 30.100 23.495 1.00 22.89 C ATOM 98 O TRP A 15 35.957 28.909 23.498 1.00 10.88 O ATOM 99 CB TRP A 15 35.220 32.018 23.764 1.00 16.46 C ATOM 100 CG TRP A 15 33.965 31.123 23.179 1.00 40.72 C ATOM 101 CD1 TRP A 15 32.858 30.451 23.798 1.00 28.46 C ATOM 102 CD2 TRP A 15 33.786 30.811 21.827 1.00 27.07 C ATOM 103 NE1 TRP A 15 31.990 29.729 22.841 1.00 20.43 N ATOM 104 CE2 TRP A 15 32.537 29.950 21.695 1.00 40.35 C ATOM 105 CE3 TRP A 15 34.610 31.208 20.742 1.00 22.05 C ATOM 106 CZ2 TRP A 15 32.054 29.457 20.468 1.00 40.20 C ATOM 107 CZ3 TRP A 15 34.123 30.711 19.508 1.00 47.89 C ATOM 108 CH2 TRP A 15 32.880 29.866 19.374 1.00 58.09 C ATOM 0 H TRP A 15 37.435 32.800 24.677 1.00 16.04 H new ATOM 0 HA TRP A 15 35.792 30.716 25.223 1.00 19.91 H new ATOM 0 HB2 TRP A 15 34.887 32.693 24.375 1.00 16.46 H new ATOM 0 HB3 TRP A 15 35.659 32.486 23.037 1.00 16.46 H new ATOM 0 HD1 TRP A 15 32.701 30.468 24.714 1.00 28.46 H new ATOM 0 HE1 TRP A 15 31.284 29.268 23.010 1.00 20.43 H new ATOM 0 HE3 TRP A 15 35.375 31.730 20.830 1.00 22.05 H new ATOM 0 HZ2 TRP A 15 31.292 28.931 20.380 1.00 40.20 H new ATOM 0 HZ3 TRP A 15 34.597 30.918 18.735 1.00 47.89 H new ATOM 0 HH2 TRP A 15 32.634 29.592 18.520 1.00 58.09 H new ATOM 109 N GLU A 16 37.679 30.477 22.780 1.00 24.36 N ATOM 110 CA GLU A 16 38.169 29.476 21.912 1.00 25.48 C ATOM 111 C GLU A 16 38.673 28.356 22.715 1.00 21.83 C ATOM 112 O GLU A 16 38.268 27.141 22.404 1.00 17.20 O ATOM 113 CB GLU A 16 39.239 30.147 20.907 1.00 23.86 C ATOM 114 CG GLU A 16 38.613 31.050 19.904 1.00 35.76 C ATOM 115 CD GLU A 16 39.706 31.792 18.988 1.00 45.08 C ATOM 116 OE1 GLU A 16 40.891 32.108 19.428 1.00 46.26 O ATOM 117 OE2 GLU A 16 39.351 32.449 18.014 1.00 48.91 O ATOM 0 H GLU A 16 38.089 31.233 22.800 1.00 24.36 H new ATOM 0 HA GLU A 16 37.478 29.097 21.347 1.00 25.48 H new ATOM 0 HB2 GLU A 16 39.889 30.648 21.424 1.00 23.86 H new ATOM 0 HB3 GLU A 16 39.724 29.446 20.444 1.00 23.86 H new ATOM 0 HG2 GLU A 16 38.014 30.537 19.339 1.00 35.76 H new ATOM 0 HG3 GLU A 16 38.073 31.713 20.361 1.00 35.76 H new ATOM 118 N GLU A 17 39.303 28.743 23.850 1.00 9.73 N ATOM 119 CA GLU A 17 39.684 27.744 24.798 1.00 8.85 C ATOM 120 C GLU A 17 38.463 26.823 25.378 1.00 21.57 C ATOM 121 O GLU A 17 38.502 25.581 25.495 1.00 16.70 O ATOM 122 CB GLU A 17 40.557 28.391 25.964 1.00 6.94 C ATOM 123 CG GLU A 17 42.030 28.914 25.566 1.00 33.75 C ATOM 124 CD GLU A 17 42.846 29.196 26.854 1.00 44.75 C ATOM 125 OE1 GLU A 17 43.308 28.237 27.407 1.00 41.89 O ATOM 126 OE2 GLU A 17 42.614 30.157 27.580 1.00 46.10 O ATOM 0 H GLU A 17 39.501 29.553 24.060 1.00 9.73 H new ATOM 0 HA GLU A 17 40.228 27.111 24.304 1.00 8.85 H new ATOM 0 HB2 GLU A 17 40.061 29.138 26.334 1.00 6.94 H new ATOM 0 HB3 GLU A 17 40.650 27.734 26.672 1.00 6.94 H new ATOM 0 HG2 GLU A 17 42.484 28.250 25.023 1.00 33.75 H new ATOM 0 HG3 GLU A 17 41.964 29.720 25.031 1.00 33.75 H new ATOM 127 N PHE A 18 37.405 27.402 25.676 1.00 19.22 N ATOM 128 CA PHE A 18 36.141 26.605 26.168 1.00 9.05 C ATOM 129 C PHE A 18 35.567 25.552 25.128 1.00 18.47 C ATOM 130 O PHE A 18 35.161 24.338 25.436 1.00 14.07 O ATOM 131 CB PHE A 18 35.101 27.559 26.459 1.00 6.15 C ATOM 132 CG PHE A 18 33.673 26.813 26.796 1.00 10.09 C ATOM 133 CD1 PHE A 18 33.374 26.351 28.074 1.00 15.27 C ATOM 134 CD2 PHE A 18 32.687 26.614 25.822 1.00 17.86 C ATOM 135 CE1 PHE A 18 32.091 25.671 28.378 1.00 14.76 C ATOM 136 CE2 PHE A 18 31.404 25.930 26.117 1.00 18.00 C ATOM 137 CZ PHE A 18 31.107 25.455 27.398 1.00 6.38 C ATOM 0 H PHE A 18 37.295 28.254 25.635 1.00 19.22 H new ATOM 0 HA PHE A 18 36.424 26.094 26.942 1.00 9.05 H new ATOM 0 HB2 PHE A 18 35.366 28.108 27.213 1.00 6.15 H new ATOM 0 HB3 PHE A 18 34.985 28.154 25.702 1.00 6.15 H new ATOM 0 HD1 PHE A 18 33.995 26.472 28.756 1.00 15.27 H new ATOM 0 HD2 PHE A 18 32.842 26.922 24.958 1.00 17.86 H new ATOM 0 HE1 PHE A 18 31.933 25.378 29.246 1.00 14.76 H new ATOM 0 HE2 PHE A 18 30.783 25.815 25.434 1.00 18.00 H new ATOM 0 HZ PHE A 18 30.307 25.022 27.590 1.00 6.38 H new ATOM 138 N ASN A 19 35.510 26.023 23.923 1.00 24.99 N ATOM 139 CA ASN A 19 34.849 25.181 22.850 1.00 13.84 C ATOM 140 C ASN A 19 35.647 24.059 22.469 1.00 21.70 C ATOM 141 O ASN A 19 35.098 23.050 21.814 1.00 25.29 O ATOM 142 CB ASN A 19 34.704 26.081 21.629 1.00 22.61 C ATOM 143 CG ASN A 19 33.356 25.585 20.950 1.00 33.32 C ATOM 144 OD1 ASN A 19 32.286 25.626 21.597 1.00 38.64 O ATOM 145 ND2 ASN A 19 33.415 25.634 19.639 1.00 43.12 N ATOM 0 H ASN A 19 35.818 26.784 23.668 1.00 24.99 H new ATOM 0 HA ASN A 19 34.005 24.843 23.188 1.00 13.84 H new ATOM 0 HB2 ASN A 19 34.653 27.016 21.880 1.00 22.61 H new ATOM 0 HB3 ASN A 19 35.460 25.990 21.028 1.00 22.61 H new ATOM 0 HD21 ASN A 19 32.692 25.698 19.178 1.00 43.12 H new ATOM 0 HD22 ASN A 19 34.177 25.602 19.241 1.00 43.12 H new ATOM 146 N ALA A 20 36.903 24.233 22.916 1.00 25.51 N ATOM 147 CA ALA A 20 37.818 23.260 22.636 1.00 12.30 C ATOM 148 C ALA A 20 37.431 21.947 23.404 1.00 26.13 C ATOM 149 O ALA A 20 37.963 20.930 23.110 1.00 25.09 O ATOM 150 CB ALA A 20 39.296 23.843 22.978 1.00 24.30 C ATOM 0 H ALA A 20 37.190 24.907 23.367 1.00 25.51 H new ATOM 0 HA ALA A 20 37.826 23.016 21.697 1.00 12.30 H new ATOM 0 HB1 ALA A 20 39.964 23.166 22.786 1.00 24.30 H new ATOM 0 HB2 ALA A 20 39.468 24.629 22.436 1.00 24.30 H new ATOM 0 HB3 ALA A 20 39.340 24.083 23.917 1.00 24.30 H new ATOM 151 N ASN A 21 36.548 21.967 24.366 1.00 11.76 N ATOM 152 CA ASN A 21 36.115 20.731 25.140 1.00 13.21 C ATOM 153 C ASN A 21 34.714 20.693 25.736 1.00 13.83 C ATOM 154 O ASN A 21 34.556 20.650 26.982 1.00 15.67 O ATOM 155 CB ASN A 21 37.139 20.562 26.249 1.00 13.09 C ATOM 156 CG ASN A 21 36.993 19.081 26.665 1.00 10.31 C ATOM 157 OD1 ASN A 21 37.876 18.705 27.407 1.00 30.09 O ATOM 158 ND2 ASN A 21 35.829 18.330 26.393 1.00 13.46 N ATOM 0 H ASN A 21 36.154 22.687 24.623 1.00 11.76 H new ATOM 0 HA ASN A 21 36.074 20.013 24.489 1.00 13.21 H new ATOM 0 HB2 ASN A 21 38.037 20.757 25.937 1.00 13.09 H new ATOM 0 HB3 ASN A 21 36.961 21.160 26.992 1.00 13.09 H new ATOM 0 HD21 ASN A 21 35.717 17.561 26.762 1.00 13.46 H new ATOM 0 HD22 ASN A 21 35.231 18.641 25.859 1.00 13.46 H new ATOM 159 N ILE A 22 33.772 20.750 24.833 1.00 8.12 N ATOM 160 CA ILE A 22 32.336 20.671 25.152 1.00 7.31 C ATOM 161 C ILE A 22 31.803 19.592 26.181 1.00 8.53 C ATOM 162 O ILE A 22 31.259 19.976 27.211 1.00 17.05 O ATOM 163 CB ILE A 22 31.448 20.611 23.882 1.00 8.64 C ATOM 164 CG1 ILE A 22 31.707 21.964 23.119 1.00 18.76 C ATOM 165 CG2 ILE A 22 29.927 20.178 24.166 1.00 12.62 C ATOM 166 CD1 ILE A 22 31.245 23.125 23.922 1.00 21.40 C ATOM 0 H ILE A 22 33.933 20.838 23.993 1.00 8.12 H new ATOM 0 HA ILE A 22 32.254 21.508 25.636 1.00 7.31 H new ATOM 0 HB ILE A 22 31.691 19.883 23.289 1.00 8.64 H new ATOM 0 HG12 ILE A 22 32.654 22.055 22.927 1.00 18.76 H new ATOM 0 HG13 ILE A 22 31.245 21.952 22.266 1.00 18.76 H new ATOM 0 HG21 ILE A 22 29.434 20.162 23.331 1.00 12.62 H new ATOM 0 HG22 ILE A 22 29.911 19.295 24.567 1.00 12.62 H new ATOM 0 HG23 ILE A 22 29.517 20.815 24.771 1.00 12.62 H new ATOM 0 HD11 ILE A 22 31.415 23.945 23.433 1.00 21.40 H new ATOM 0 HD12 ILE A 22 30.294 23.042 24.094 1.00 21.40 H new ATOM 0 HD13 ILE A 22 31.724 23.147 24.765 1.00 21.40 H new ATOM 167 N PRO A 23 32.021 18.327 26.038 1.00 13.77 N ATOM 168 CA PRO A 23 31.425 17.286 26.995 1.00 12.04 C ATOM 169 C PRO A 23 31.971 17.509 28.413 1.00 22.57 C ATOM 170 O PRO A 23 31.146 17.393 29.368 1.00 20.69 O ATOM 171 CB PRO A 23 31.642 15.891 26.466 1.00 19.15 C ATOM 172 CG PRO A 23 32.277 16.132 25.076 1.00 18.25 C ATOM 173 CD PRO A 23 32.545 17.675 24.857 1.00 16.92 C ATOM 0 HA PRO A 23 30.463 17.396 27.050 1.00 12.04 H new ATOM 0 HB2 PRO A 23 32.228 15.377 27.043 1.00 19.15 H new ATOM 0 HB3 PRO A 23 30.808 15.400 26.398 1.00 19.15 H new ATOM 0 HG2 PRO A 23 33.109 15.639 25.004 1.00 18.25 H new ATOM 0 HG3 PRO A 23 31.688 15.798 24.382 1.00 18.25 H new ATOM 0 HD2 PRO A 23 33.492 17.854 24.750 1.00 16.92 H new ATOM 0 HD3 PRO A 23 32.104 17.996 24.055 1.00 16.92 H new ATOM 174 N LYS A 24 33.256 18.030 28.543 1.00 17.91 N ATOM 175 CA LYS A 24 33.796 18.394 29.879 1.00 16.30 C ATOM 176 C LYS A 24 33.271 19.626 30.461 1.00 23.11 C ATOM 177 O LYS A 24 32.727 19.563 31.598 1.00 13.01 O ATOM 178 CB LYS A 24 35.358 18.602 29.899 1.00 13.54 C ATOM 179 CG LYS A 24 35.924 18.857 31.328 1.00 30.59 C ATOM 180 CD LYS A 24 37.465 18.865 31.430 1.00 34.86 C ATOM 181 CE LYS A 24 38.290 19.936 30.531 0.00 0.00 C ATOM 182 NZ LYS A 24 39.744 20.020 30.794 0.00 0.00 N ATOM 0 H LYS A 24 33.794 18.167 27.886 1.00 17.91 H new ATOM 0 HA LYS A 24 33.513 17.622 30.394 1.00 16.30 H new ATOM 0 HB2 LYS A 24 35.788 17.818 29.522 1.00 13.54 H new ATOM 0 HB3 LYS A 24 35.586 19.352 29.328 1.00 13.54 H new ATOM 0 HG2 LYS A 24 35.588 19.709 31.646 1.00 30.59 H new ATOM 0 HG3 LYS A 24 35.578 18.175 31.924 1.00 30.59 H new ATOM 0 HD2 LYS A 24 37.699 19.016 32.359 1.00 34.86 H new ATOM 0 HD3 LYS A 24 37.782 17.978 31.198 1.00 34.86 H new ATOM 0 HE2 LYS A 24 38.161 19.714 29.596 0.00 0.00 H new ATOM 0 HE3 LYS A 24 37.903 20.814 30.670 0.00 0.00 H new ATOM 0 HZ1 LYS A 24 40.108 20.629 30.257 0.00 0.00 H new ATOM 0 HZ2 LYS A 24 39.880 20.253 31.642 0.00 0.00 H new ATOM 0 HZ3 LYS A 24 40.120 19.228 30.641 0.00 0.00 H new ATOM 183 N HIS A 25 33.442 20.713 29.703 1.00 10.90 N ATOM 184 CA HIS A 25 33.176 22.012 30.222 1.00 6.11 C ATOM 185 C HIS A 25 31.691 22.097 30.486 1.00 11.60 C ATOM 186 O HIS A 25 31.380 22.781 31.462 1.00 14.72 O ATOM 187 CB HIS A 25 33.811 23.170 29.309 1.00 4.83 C ATOM 188 CG HIS A 25 35.347 23.197 29.197 1.00 13.36 C ATOM 189 ND1 HIS A 25 36.099 22.763 30.246 1.00 24.53 N ATOM 190 CD2 HIS A 25 36.178 23.578 28.170 1.00 17.00 C ATOM 191 CE1 HIS A 25 37.458 22.889 29.820 1.00 13.94 C ATOM 192 NE2 HIS A 25 37.497 23.403 28.508 1.00 17.87 N ATOM 0 H HIS A 25 33.712 20.699 28.887 1.00 10.90 H new ATOM 0 HA HIS A 25 33.624 22.163 31.069 1.00 6.11 H new ATOM 0 HB2 HIS A 25 33.443 23.087 28.415 1.00 4.83 H new ATOM 0 HB3 HIS A 25 33.518 24.026 29.658 1.00 4.83 H new ATOM 0 HD2 HIS A 25 35.885 23.911 27.353 1.00 17.00 H new ATOM 0 HE1 HIS A 25 38.203 22.666 30.331 1.00 13.94 H new ATOM 0 HE2 HIS A 25 38.191 23.569 28.028 1.00 17.87 H new ATOM 193 N THR A 26 30.806 21.426 29.654 1.00 12.35 N ATOM 194 CA THR A 26 29.347 21.442 29.812 1.00 17.56 C ATOM 195 C THR A 26 28.766 20.577 30.992 1.00 4.15 C ATOM 196 O THR A 26 27.819 20.901 31.685 1.00 7.92 O ATOM 197 CB THR A 26 28.550 20.953 28.537 1.00 30.07 C ATOM 198 OG1 THR A 26 28.696 19.578 28.237 1.00 13.94 O ATOM 199 CG2 THR A 26 28.947 21.887 27.326 1.00 13.02 C ATOM 0 H THR A 26 31.068 20.953 28.985 1.00 12.35 H new ATOM 0 HA THR A 26 29.216 22.386 29.991 1.00 17.56 H new ATOM 0 HB THR A 26 27.602 21.032 28.727 1.00 30.07 H new ATOM 0 HG1 THR A 26 29.450 19.445 27.891 1.00 13.94 H new ATOM 0 HG21 THR A 26 28.469 21.606 26.530 1.00 13.02 H new ATOM 0 HG22 THR A 26 28.714 22.805 27.535 1.00 13.02 H new ATOM 0 HG23 THR A 26 29.902 21.824 27.168 1.00 13.02 H new ATOM 200 N HIS A 27 29.353 19.523 31.228 1.00 10.42 N ATOM 201 CA HIS A 27 28.941 18.644 32.370 1.00 11.66 C ATOM 202 C HIS A 27 29.386 19.389 33.664 1.00 12.04 C ATOM 203 O HIS A 27 28.573 19.386 34.627 1.00 13.49 O ATOM 204 CB HIS A 27 29.609 17.366 32.229 1.00 7.98 C ATOM 205 CG HIS A 27 29.585 16.539 33.528 1.00 12.97 C ATOM 206 ND1 HIS A 27 28.400 15.720 33.985 1.00 18.03 N ATOM 207 CD2 HIS A 27 30.603 16.457 34.387 1.00 14.02 C ATOM 208 CE1 HIS A 27 28.735 15.123 35.191 1.00 13.85 C ATOM 209 NE2 HIS A 27 30.115 15.588 35.434 1.00 22.28 N ATOM 0 H HIS A 27 30.018 19.227 30.770 1.00 10.42 H new ATOM 0 HA HIS A 27 27.986 18.473 32.397 1.00 11.66 H new ATOM 0 HB2 HIS A 27 29.184 16.859 31.519 1.00 7.98 H new ATOM 0 HB3 HIS A 27 30.529 17.514 31.961 1.00 7.98 H new ATOM 0 HD2 HIS A 27 31.436 16.866 34.326 1.00 14.02 H new ATOM 0 HE1 HIS A 27 28.214 14.563 35.721 1.00 13.85 H new ATOM 0 HE2 HIS A 27 30.578 15.366 36.124 1.00 22.28 H new ATOM 210 N ARG A 28 30.589 20.143 33.598 1.00 17.87 N ATOM 211 CA ARG A 28 31.170 20.975 34.724 1.00 11.52 C ATOM 212 C ARG A 28 30.375 22.115 35.052 1.00 13.07 C ATOM 213 O ARG A 28 30.106 22.328 36.253 1.00 20.36 O ATOM 214 CB ARG A 28 32.668 21.552 34.463 1.00 16.99 C ATOM 215 CG ARG A 28 33.335 22.356 35.670 1.00 30.34 C ATOM 216 CD ARG A 28 33.398 21.471 36.925 1.00 30.30 C ATOM 217 NE ARG A 28 33.969 22.327 38.045 1.00 41.76 N ATOM 218 CZ ARG A 28 33.773 22.029 39.324 1.00 44.84 C ATOM 219 NH1 ARG A 28 33.059 20.872 39.689 1.00 43.51 N ATOM 220 NH2 ARG A 28 34.342 22.878 40.242 1.00 40.94 N ATOM 0 H ARG A 28 31.071 20.168 32.886 1.00 17.87 H new ATOM 0 HA ARG A 28 31.190 20.327 35.446 1.00 11.52 H new ATOM 0 HB2 ARG A 28 33.246 20.807 34.237 1.00 16.99 H new ATOM 0 HB3 ARG A 28 32.639 22.134 33.688 1.00 16.99 H new ATOM 0 HG2 ARG A 28 34.228 22.642 35.423 1.00 30.34 H new ATOM 0 HG3 ARG A 28 32.822 23.158 35.857 1.00 30.34 H new ATOM 0 HD2 ARG A 28 32.515 21.144 37.159 1.00 30.30 H new ATOM 0 HD3 ARG A 28 33.956 20.693 36.769 1.00 30.30 H new ATOM 0 HE ARG A 28 34.432 23.024 37.844 1.00 41.76 H new ATOM 0 HH11 ARG A 28 32.745 20.351 39.081 1.00 43.51 H new ATOM 0 HH12 ARG A 28 32.937 20.686 40.520 1.00 43.51 H new ATOM 0 HH21 ARG A 28 34.796 23.558 39.975 1.00 40.94 H new ATOM 0 HH22 ARG A 28 34.245 22.729 41.083 1.00 40.94 H new ATOM 221 N PHE A 29 29.946 22.741 34.002 1.00 7.46 N ATOM 222 CA PHE A 29 29.079 23.796 34.101 1.00 13.59 C ATOM 223 C PHE A 29 27.818 23.324 34.942 1.00 15.42 C ATOM 224 O PHE A 29 27.533 24.030 35.910 1.00 14.99 O ATOM 225 CB PHE A 29 28.676 24.218 32.683 1.00 8.21 C ATOM 226 CG PHE A 29 27.558 25.120 32.683 1.00 12.36 C ATOM 227 CD1 PHE A 29 27.806 26.420 33.187 1.00 6.04 C ATOM 228 CD2 PHE A 29 26.296 24.614 32.181 1.00 3.79 C ATOM 229 CE1 PHE A 29 26.790 27.220 33.193 1.00 15.50 C ATOM 230 CE2 PHE A 29 25.272 25.408 32.186 1.00 18.40 C ATOM 231 CZ PHE A 29 25.520 26.715 32.694 1.00 12.42 C ATOM 0 H PHE A 29 30.172 22.540 33.197 1.00 7.46 H new ATOM 0 HA PHE A 29 29.485 24.555 34.548 1.00 13.59 H new ATOM 0 HB2 PHE A 29 29.431 24.642 32.246 1.00 8.21 H new ATOM 0 HB3 PHE A 29 28.454 23.430 32.163 1.00 8.21 H new ATOM 0 HD1 PHE A 29 28.644 26.681 33.493 1.00 6.04 H new ATOM 0 HD2 PHE A 29 26.223 23.743 31.864 1.00 3.79 H new ATOM 0 HE1 PHE A 29 26.869 28.092 33.507 1.00 15.50 H new ATOM 0 HE2 PHE A 29 24.435 25.143 31.880 1.00 18.40 H new ATOM 0 HZ PHE A 29 24.800 27.303 32.708 1.00 12.42 H new ATOM 232 N PHE A 30 27.113 22.144 34.618 1.00 9.40 N ATOM 233 CA PHE A 30 25.853 21.632 35.335 1.00 10.53 C ATOM 234 C PHE A 30 26.057 21.168 36.763 1.00 8.89 C ATOM 235 O PHE A 30 25.224 21.394 37.645 1.00 13.80 O ATOM 236 CB PHE A 30 24.903 20.551 34.542 1.00 7.72 C ATOM 237 CG PHE A 30 24.037 21.202 33.529 1.00 21.64 C ATOM 238 CD1 PHE A 30 24.309 21.168 32.181 1.00 10.83 C ATOM 239 CD2 PHE A 30 22.981 21.817 33.979 1.00 16.23 C ATOM 240 CE1 PHE A 30 23.522 21.749 31.271 1.00 12.84 C ATOM 241 CE2 PHE A 30 22.190 22.404 33.080 1.00 14.78 C ATOM 242 CZ PHE A 30 22.460 22.369 31.723 1.00 22.59 C ATOM 0 H PHE A 30 27.361 21.628 33.976 1.00 9.40 H new ATOM 0 HA PHE A 30 25.357 22.465 35.344 1.00 10.53 H new ATOM 0 HB2 PHE A 30 25.463 19.888 34.108 1.00 7.72 H new ATOM 0 HB3 PHE A 30 24.349 20.079 35.183 1.00 7.72 H new ATOM 0 HD1 PHE A 30 25.072 20.722 31.891 1.00 10.83 H new ATOM 0 HD2 PHE A 30 22.787 21.846 34.888 1.00 16.23 H new ATOM 0 HE1 PHE A 30 23.718 21.715 30.363 1.00 12.84 H new ATOM 0 HE2 PHE A 30 21.431 22.852 33.375 1.00 14.78 H new ATOM 0 HZ PHE A 30 21.883 22.789 31.127 1.00 22.59 H new ATOM 243 N ILE A 31 27.203 20.700 37.002 1.00 5.94 N ATOM 244 CA ILE A 31 27.609 20.401 38.372 1.00 5.93 C ATOM 245 C ILE A 31 27.787 21.681 39.223 1.00 5.47 C ATOM 246 O ILE A 31 27.204 21.675 40.334 1.00 9.63 O ATOM 247 CB ILE A 31 28.954 19.826 38.376 1.00 9.94 C ATOM 248 CG1 ILE A 31 28.812 18.431 37.698 1.00 18.38 C ATOM 249 CG2 ILE A 31 29.547 19.759 39.790 1.00 5.32 C ATOM 250 CD1 ILE A 31 27.838 17.361 38.466 1.00 33.00 C ATOM 0 H ILE A 31 27.796 20.533 36.403 1.00 5.94 H new ATOM 0 HA ILE A 31 26.919 19.818 38.724 1.00 5.93 H new ATOM 0 HB ILE A 31 29.585 20.378 37.888 1.00 9.94 H new ATOM 0 HG12 ILE A 31 28.475 18.561 36.798 1.00 18.38 H new ATOM 0 HG13 ILE A 31 29.695 18.038 37.617 1.00 18.38 H new ATOM 0 HG21 ILE A 31 30.436 19.373 39.750 1.00 5.32 H new ATOM 0 HG22 ILE A 31 29.599 20.653 40.162 1.00 5.32 H new ATOM 0 HG23 ILE A 31 28.981 19.208 40.353 1.00 5.32 H new ATOM 0 HD11 ILE A 31 27.816 16.529 37.969 1.00 33.00 H new ATOM 0 HD12 ILE A 31 28.180 17.195 39.358 1.00 33.00 H new ATOM 0 HD13 ILE A 31 26.941 17.725 38.526 1.00 33.00 H new ATOM 251 N LEU A 32 28.432 22.776 38.637 1.00 6.59 N ATOM 252 CA LEU A 32 28.639 24.105 39.295 1.00 5.06 C ATOM 253 C LEU A 32 27.324 24.663 39.527 1.00 5.37 C ATOM 254 O LEU A 32 27.170 25.245 40.613 1.00 14.85 O ATOM 255 CB LEU A 32 29.596 25.133 38.463 1.00 13.23 C ATOM 256 CG LEU A 32 31.055 24.826 38.471 1.00 11.85 C ATOM 257 CD1 LEU A 32 31.927 25.664 37.407 1.00 18.80 C ATOM 258 CD2 LEU A 32 31.698 25.052 39.871 1.00 18.14 C ATOM 0 H LEU A 32 28.755 22.745 37.841 1.00 6.59 H new ATOM 0 HA LEU A 32 29.123 23.971 40.125 1.00 5.06 H new ATOM 0 HB2 LEU A 32 29.294 25.153 37.542 1.00 13.23 H new ATOM 0 HB3 LEU A 32 29.470 26.025 38.822 1.00 13.23 H new ATOM 0 HG LEU A 32 31.081 23.889 38.220 1.00 11.85 H new ATOM 0 HD11 LEU A 32 32.859 25.406 37.477 1.00 18.80 H new ATOM 0 HD12 LEU A 32 31.608 25.480 36.510 1.00 18.80 H new ATOM 0 HD13 LEU A 32 31.840 26.612 37.592 1.00 18.80 H new ATOM 0 HD21 LEU A 32 32.644 24.841 39.831 1.00 18.14 H new ATOM 0 HD22 LEU A 32 31.585 25.979 40.134 1.00 18.14 H new ATOM 0 HD23 LEU A 32 31.267 24.477 40.522 1.00 18.14 H new ATOM 259 N VAL A 33 26.394 24.459 38.574 1.00 9.40 N ATOM 260 CA VAL A 33 25.080 24.930 38.752 1.00 15.33 C ATOM 261 C VAL A 33 24.365 24.284 39.994 1.00 18.55 C ATOM 262 O VAL A 33 23.808 24.977 40.811 1.00 16.70 O ATOM 263 CB VAL A 33 24.134 24.601 37.523 1.00 11.96 C ATOM 264 CG1 VAL A 33 22.679 24.876 37.782 1.00 9.66 C ATOM 265 CG2 VAL A 33 24.704 25.339 36.249 1.00 3.02 C ATOM 0 H VAL A 33 26.536 24.048 37.832 1.00 9.40 H new ATOM 0 HA VAL A 33 25.198 25.886 38.864 1.00 15.33 H new ATOM 0 HB VAL A 33 24.145 23.644 37.366 1.00 11.96 H new ATOM 0 HG11 VAL A 33 22.162 24.653 36.992 1.00 9.66 H new ATOM 0 HG12 VAL A 33 22.376 24.337 38.529 1.00 9.66 H new ATOM 0 HG13 VAL A 33 22.559 25.815 37.992 1.00 9.66 H new ATOM 0 HG21 VAL A 33 24.138 25.150 35.485 1.00 3.02 H new ATOM 0 HG22 VAL A 33 24.721 26.296 36.409 1.00 3.02 H new ATOM 0 HG23 VAL A 33 25.604 25.026 36.069 1.00 3.02 H new ATOM 266 N LEU A 34 24.412 22.986 40.098 1.00 19.91 N ATOM 267 CA LEU A 34 23.681 22.110 41.121 1.00 18.11 C ATOM 268 C LEU A 34 24.368 22.307 42.479 1.00 10.89 C ATOM 269 O LEU A 34 23.649 22.211 43.512 1.00 13.54 O ATOM 270 CB LEU A 34 23.571 20.620 40.680 1.00 8.00 C ATOM 271 CG LEU A 34 22.210 20.051 40.008 1.00 14.88 C ATOM 272 CD1 LEU A 34 21.493 21.109 39.296 1.00 9.89 C ATOM 273 CD2 LEU A 34 22.337 18.826 39.109 1.00 16.41 C ATOM 0 H LEU A 34 24.890 22.515 39.560 1.00 19.91 H new ATOM 0 HA LEU A 34 22.754 22.388 41.192 1.00 18.11 H new ATOM 0 HB2 LEU A 34 24.290 20.456 40.050 1.00 8.00 H new ATOM 0 HB3 LEU A 34 23.750 20.077 41.463 1.00 8.00 H new ATOM 0 HG LEU A 34 21.708 19.737 40.776 1.00 14.88 H new ATOM 0 HD11 LEU A 34 20.684 20.745 38.904 1.00 9.89 H new ATOM 0 HD12 LEU A 34 21.260 21.817 39.917 1.00 9.89 H new ATOM 0 HD13 LEU A 34 22.059 21.468 38.595 1.00 9.89 H new ATOM 0 HD21 LEU A 34 21.462 18.582 38.769 1.00 16.41 H new ATOM 0 HD22 LEU A 34 22.927 19.029 38.366 1.00 16.41 H new ATOM 0 HD23 LEU A 34 22.703 18.086 39.619 1.00 16.41 H new ATOM 274 N GLU A 35 25.681 22.745 42.466 1.00 10.41 N ATOM 275 CA GLU A 35 26.404 23.148 43.711 1.00 13.40 C ATOM 276 C GLU A 35 26.016 24.435 44.306 1.00 18.48 C ATOM 277 O GLU A 35 26.059 24.593 45.551 1.00 15.48 O ATOM 278 CB GLU A 35 27.942 23.381 43.497 1.00 23.34 C ATOM 279 CG GLU A 35 28.479 22.062 43.170 1.00 44.35 C ATOM 280 CD GLU A 35 30.018 22.356 43.110 1.00 49.34 C ATOM 281 OE1 GLU A 35 30.654 21.378 42.969 1.00 42.33 O ATOM 282 OE2 GLU A 35 30.622 23.437 43.613 1.00 44.56 O ATOM 0 H GLU A 35 26.153 22.811 41.750 1.00 10.41 H new ATOM 0 HA GLU A 35 26.172 22.394 44.275 1.00 13.40 H new ATOM 0 HB2 GLU A 35 28.105 24.015 42.781 1.00 23.34 H new ATOM 0 HB3 GLU A 35 28.358 23.742 44.296 1.00 23.34 H new ATOM 0 HG2 GLU A 35 28.260 21.401 43.845 1.00 44.35 H new ATOM 0 HG3 GLU A 35 28.138 21.728 42.325 1.00 44.35 H new ATOM 283 N ILE A 36 25.706 25.329 43.434 1.00 12.49 N ATOM 284 CA ILE A 36 25.358 26.648 43.823 1.00 10.45 C ATOM 285 C ILE A 36 23.878 26.527 44.239 1.00 18.97 C ATOM 286 O ILE A 36 23.535 27.133 45.257 1.00 19.31 O ATOM 287 CB ILE A 36 25.668 27.672 42.661 1.00 10.97 C ATOM 288 CG1 ILE A 36 27.196 27.925 42.333 1.00 9.96 C ATOM 289 CG2 ILE A 36 25.132 29.014 42.923 1.00 7.69 C ATOM 290 CD1 ILE A 36 27.512 28.723 41.022 1.00 12.91 C ATOM 0 H ILE A 36 25.690 25.190 42.585 1.00 12.49 H new ATOM 0 HA ILE A 36 25.875 27.007 44.561 1.00 10.45 H new ATOM 0 HB ILE A 36 25.241 27.223 41.915 1.00 10.97 H new ATOM 0 HG12 ILE A 36 27.591 28.401 43.080 1.00 9.96 H new ATOM 0 HG13 ILE A 36 27.640 27.065 42.278 1.00 9.96 H new ATOM 0 HG21 ILE A 36 25.350 29.600 42.181 1.00 7.69 H new ATOM 0 HG22 ILE A 36 24.168 28.964 43.023 1.00 7.69 H new ATOM 0 HG23 ILE A 36 25.523 29.365 43.738 1.00 7.69 H new ATOM 0 HD11 ILE A 36 28.472 28.817 40.924 1.00 12.91 H new ATOM 0 HD12 ILE A 36 27.155 28.245 40.258 1.00 12.91 H new ATOM 0 HD13 ILE A 36 27.105 29.602 41.072 1.00 12.91 H new ATOM 291 N ALA A 37 23.030 25.717 43.490 1.00 7.26 N ATOM 292 CA ALA A 37 21.570 25.486 43.775 1.00 8.40 C ATOM 293 C ALA A 37 20.904 24.080 43.344 1.00 17.20 C ATOM 294 O ALA A 37 20.456 23.889 42.174 1.00 12.59 O ATOM 295 CB ALA A 37 20.846 26.556 43.084 1.00 8.74 C ATOM 0 H ALA A 37 23.304 25.288 42.797 1.00 7.26 H new ATOM 0 HA ALA A 37 21.504 25.473 44.743 1.00 8.40 H new ATOM 0 HB1 ALA A 37 19.894 26.453 43.236 1.00 8.74 H new ATOM 0 HB2 ALA A 37 21.137 27.416 43.425 1.00 8.74 H new ATOM 0 HB3 ALA A 37 21.028 26.508 42.132 1.00 8.74 H new ATOM 296 N PRO A 38 20.977 23.117 44.219 1.00 14.94 N ATOM 297 CA PRO A 38 20.404 21.690 43.995 1.00 10.41 C ATOM 298 C PRO A 38 18.950 21.469 43.480 1.00 18.29 C ATOM 299 O PRO A 38 18.601 20.556 42.634 1.00 21.23 O ATOM 300 CB PRO A 38 20.494 20.936 45.323 1.00 13.94 C ATOM 301 CG PRO A 38 21.245 21.955 46.314 1.00 7.33 C ATOM 302 CD PRO A 38 21.552 23.318 45.579 1.00 11.13 C ATOM 0 HA PRO A 38 20.952 21.383 43.256 1.00 10.41 H new ATOM 0 HB2 PRO A 38 19.614 20.703 45.657 1.00 13.94 H new ATOM 0 HB3 PRO A 38 20.989 20.108 45.226 1.00 13.94 H new ATOM 0 HG2 PRO A 38 20.694 22.120 47.095 1.00 7.33 H new ATOM 0 HG3 PRO A 38 22.072 21.558 46.629 1.00 7.33 H new ATOM 0 HD2 PRO A 38 21.140 24.070 46.033 1.00 11.13 H new ATOM 0 HD3 PRO A 38 22.505 23.497 45.541 1.00 11.13 H new ATOM 303 N ALA A 39 18.162 22.321 43.909 1.00 12.08 N ATOM 304 CA ALA A 39 16.741 22.237 43.498 1.00 16.12 C ATOM 305 C ALA A 39 16.566 22.416 41.997 1.00 20.36 C ATOM 306 O ALA A 39 15.445 22.012 41.447 1.00 16.54 O ATOM 307 CB ALA A 39 16.061 23.298 44.252 1.00 14.15 C ATOM 0 H ALA A 39 18.364 22.971 44.434 1.00 12.08 H new ATOM 0 HA ALA A 39 16.369 21.362 43.689 1.00 16.12 H new ATOM 0 HB1 ALA A 39 15.117 23.300 44.029 1.00 14.15 H new ATOM 0 HB2 ALA A 39 16.168 23.139 45.203 1.00 14.15 H new ATOM 0 HB3 ALA A 39 16.449 24.157 44.023 1.00 14.15 H new ATOM 308 N ALA A 40 17.623 23.079 41.372 1.00 14.23 N ATOM 309 CA ALA A 40 17.555 23.428 39.951 1.00 16.37 C ATOM 310 C ALA A 40 17.402 22.178 39.062 1.00 15.69 C ATOM 311 O ALA A 40 17.017 22.237 37.871 1.00 14.93 O ATOM 312 CB ALA A 40 18.822 24.414 39.522 1.00 19.10 C ATOM 0 H ALA A 40 18.350 23.314 41.767 1.00 14.23 H new ATOM 0 HA ALA A 40 16.749 23.946 39.797 1.00 16.37 H new ATOM 0 HB1 ALA A 40 18.758 24.632 38.579 1.00 19.10 H new ATOM 0 HB2 ALA A 40 18.789 25.230 40.045 1.00 19.10 H new ATOM 0 HB3 ALA A 40 19.660 23.956 39.691 1.00 19.10 H new ATOM 313 N LYS A 41 17.695 21.088 39.647 1.00 9.84 N ATOM 314 CA LYS A 41 17.643 19.803 38.929 1.00 14.65 C ATOM 315 C LYS A 41 16.275 19.351 38.264 1.00 24.10 C ATOM 316 O LYS A 41 16.218 18.909 37.086 1.00 29.30 O ATOM 317 CB LYS A 41 17.945 18.710 39.911 1.00 17.42 C ATOM 318 CG LYS A 41 17.929 17.323 39.248 1.00 31.60 C ATOM 319 CD LYS A 41 18.190 16.263 40.290 1.00 40.20 C ATOM 320 CE LYS A 41 18.116 14.846 39.676 1.00 33.33 C ATOM 321 NZ LYS A 41 16.753 14.367 39.153 0.00 0.00 N ATOM 0 H LYS A 41 17.934 21.030 40.471 1.00 9.84 H new ATOM 0 HA LYS A 41 18.271 19.945 38.203 1.00 14.65 H new ATOM 0 HB2 LYS A 41 18.815 18.867 40.311 1.00 17.42 H new ATOM 0 HB3 LYS A 41 17.294 18.732 40.629 1.00 17.42 H new ATOM 0 HG2 LYS A 41 17.071 17.167 38.822 1.00 31.60 H new ATOM 0 HG3 LYS A 41 18.603 17.279 38.552 1.00 31.60 H new ATOM 0 HD2 LYS A 41 19.065 16.402 40.684 1.00 40.20 H new ATOM 0 HD3 LYS A 41 17.540 16.343 41.006 1.00 40.20 H new ATOM 0 HE2 LYS A 41 18.749 14.805 38.942 1.00 33.33 H new ATOM 0 HE3 LYS A 41 18.418 14.214 40.347 1.00 33.33 H new ATOM 0 HZ1 LYS A 41 16.833 13.543 38.825 0.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.163 14.364 39.820 0.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.472 14.915 38.511 0.00 0.00 H new ATOM 322 N ASP A 42 15.220 19.566 38.974 1.00 20.04 N ATOM 323 CA ASP A 42 13.825 19.160 38.510 1.00 28.03 C ATOM 324 C ASP A 42 13.451 19.865 37.247 1.00 22.48 C ATOM 325 O ASP A 42 12.399 19.374 36.623 1.00 26.69 O ATOM 326 CB ASP A 42 12.814 19.352 39.622 1.00 40.06 C ATOM 327 CG ASP A 42 13.106 18.472 40.797 1.00 56.87 C ATOM 328 OD1 ASP A 42 13.797 19.034 41.750 1.00 52.90 O ATOM 329 OD2 ASP A 42 13.146 17.242 40.573 1.00 47.11 O ATOM 0 H ASP A 42 15.236 19.947 39.745 1.00 20.04 H new ATOM 0 HA ASP A 42 13.828 18.213 38.299 1.00 28.03 H new ATOM 0 HB2 ASP A 42 12.816 20.280 39.904 1.00 40.06 H new ATOM 0 HB3 ASP A 42 11.924 19.160 39.287 1.00 40.06 H new ATOM 330 N LEU A 43 14.252 20.982 36.900 1.00 17.15 N ATOM 331 CA LEU A 43 13.924 21.785 35.747 1.00 12.76 C ATOM 332 C LEU A 43 14.237 21.178 34.409 1.00 20.29 C ATOM 333 O LEU A 43 13.693 21.539 33.364 1.00 16.81 O ATOM 334 CB LEU A 43 14.710 23.233 35.823 1.00 13.63 C ATOM 335 CG LEU A 43 14.298 24.004 37.047 1.00 7.91 C ATOM 336 CD1 LEU A 43 15.246 25.357 37.228 1.00 14.79 C ATOM 337 CD2 LEU A 43 12.801 24.194 36.968 1.00 11.56 C ATOM 0 H LEU A 43 14.949 21.237 37.335 1.00 17.15 H new ATOM 0 HA LEU A 43 12.959 21.872 35.795 1.00 12.76 H new ATOM 0 HB2 LEU A 43 15.668 23.085 35.837 1.00 13.63 H new ATOM 0 HB3 LEU A 43 14.515 23.753 35.028 1.00 13.63 H new ATOM 0 HG LEU A 43 14.459 23.534 37.880 1.00 7.91 H new ATOM 0 HD11 LEU A 43 14.969 25.843 38.020 1.00 14.79 H new ATOM 0 HD12 LEU A 43 16.174 25.092 37.320 1.00 14.79 H new ATOM 0 HD13 LEU A 43 15.149 25.927 36.449 1.00 14.79 H new ATOM 0 HD21 LEU A 43 12.496 24.690 37.744 1.00 11.56 H new ATOM 0 HD22 LEU A 43 12.579 24.687 36.162 1.00 11.56 H new ATOM 0 HD23 LEU A 43 12.365 23.328 36.947 1.00 11.56 H new ATOM 338 N PHE A 44 15.207 20.425 34.434 1.00 15.89 N ATOM 339 CA PHE A 44 15.812 19.967 33.209 1.00 18.92 C ATOM 340 C PHE A 44 15.291 18.496 32.860 1.00 24.25 C ATOM 341 O PHE A 44 15.472 17.594 33.681 1.00 19.21 O ATOM 342 CB PHE A 44 17.366 20.162 33.346 1.00 10.47 C ATOM 343 CG PHE A 44 17.987 21.670 33.479 1.00 21.72 C ATOM 344 CD1 PHE A 44 18.315 22.224 34.719 1.00 13.97 C ATOM 345 CD2 PHE A 44 18.232 22.463 32.352 1.00 15.55 C ATOM 346 CE1 PHE A 44 18.890 23.577 34.839 1.00 19.26 C ATOM 347 CE2 PHE A 44 18.808 23.817 32.463 1.00 12.47 C ATOM 348 CZ PHE A 44 19.137 24.376 33.708 1.00 13.47 C ATOM 0 H PHE A 44 15.577 20.131 35.153 1.00 15.89 H new ATOM 0 HA PHE A 44 15.549 20.484 32.431 1.00 18.92 H new ATOM 0 HB2 PHE A 44 17.653 19.661 34.125 1.00 10.47 H new ATOM 0 HB3 PHE A 44 17.779 19.746 32.573 1.00 10.47 H new ATOM 0 HD1 PHE A 44 18.167 21.726 35.490 1.00 13.97 H new ATOM 0 HD2 PHE A 44 18.026 22.127 31.510 1.00 15.55 H new ATOM 0 HE1 PHE A 44 19.094 23.910 35.683 1.00 19.26 H new ATOM 0 HE2 PHE A 44 18.957 24.312 31.690 1.00 12.47 H new ATOM 0 HZ PHE A 44 19.499 25.229 33.781 1.00 13.47 H new ATOM 349 N SER A 45 14.568 18.295 31.750 1.00 21.12 N ATOM 350 CA SER A 45 13.912 16.950 31.289 1.00 25.00 C ATOM 351 C SER A 45 14.847 15.879 31.280 1.00 22.41 C ATOM 352 O SER A 45 14.457 14.718 31.748 1.00 20.87 O ATOM 353 CB SER A 45 13.267 17.047 29.895 1.00 39.40 C ATOM 354 OG SER A 45 14.251 17.626 28.922 1.00 41.01 O ATOM 0 H SER A 45 14.415 18.934 31.195 1.00 21.12 H new ATOM 0 HA SER A 45 13.217 16.772 31.942 1.00 25.00 H new ATOM 0 HB2 SER A 45 12.984 16.168 29.598 1.00 39.40 H new ATOM 0 HB3 SER A 45 12.473 17.602 29.934 1.00 39.40 H new ATOM 0 HG SER A 45 14.240 18.464 28.977 1.00 41.01 H new ATOM 355 N PHE A 46 16.092 16.298 30.898 1.00 18.42 N ATOM 356 CA PHE A 46 17.112 15.394 30.880 1.00 10.09 C ATOM 357 C PHE A 46 17.763 15.203 32.236 1.00 34.69 C ATOM 358 O PHE A 46 18.494 14.298 32.376 1.00 23.38 O ATOM 359 CB PHE A 46 18.190 15.804 29.782 1.00 8.99 C ATOM 360 CG PHE A 46 18.804 17.316 29.843 1.00 14.63 C ATOM 361 CD1 PHE A 46 18.302 18.231 29.026 1.00 16.11 C ATOM 362 CD2 PHE A 46 19.845 17.758 30.715 1.00 23.03 C ATOM 363 CE1 PHE A 46 18.833 19.595 29.086 1.00 28.60 C ATOM 364 CE2 PHE A 46 20.383 19.123 30.782 1.00 21.18 C ATOM 365 CZ PHE A 46 19.874 20.044 29.968 1.00 19.70 C ATOM 0 H PHE A 46 16.298 17.099 30.662 1.00 18.42 H new ATOM 0 HA PHE A 46 16.726 14.536 30.645 1.00 10.09 H new ATOM 0 HB2 PHE A 46 18.930 15.180 29.843 1.00 8.99 H new ATOM 0 HB3 PHE A 46 17.787 15.681 28.908 1.00 8.99 H new ATOM 0 HD1 PHE A 46 17.626 18.011 28.426 1.00 16.11 H new ATOM 0 HD2 PHE A 46 20.214 17.127 31.290 1.00 23.03 H new ATOM 0 HE1 PHE A 46 18.466 20.222 28.505 1.00 28.60 H new ATOM 0 HE2 PHE A 46 21.063 19.338 31.379 1.00 21.18 H new ATOM 0 HZ PHE A 46 20.174 20.924 29.970 1.00 19.70 H new ATOM 366 N LEU A 47 17.451 15.952 33.239 1.00 27.70 N ATOM 367 CA LEU A 47 17.956 15.742 34.599 1.00 18.51 C ATOM 368 C LEU A 47 16.839 15.005 35.484 1.00 22.58 C ATOM 369 O LEU A 47 17.133 14.264 36.420 1.00 23.44 O ATOM 370 CB LEU A 47 18.500 17.082 35.309 1.00 22.54 C ATOM 371 CG LEU A 47 19.764 17.901 34.657 1.00 33.26 C ATOM 372 CD1 LEU A 47 20.225 19.211 35.454 1.00 29.54 C ATOM 373 CD2 LEU A 47 20.925 17.066 34.495 1.00 28.63 C ATOM 0 H LEU A 47 16.923 16.627 33.171 1.00 27.70 H new ATOM 0 HA LEU A 47 18.736 15.170 34.527 1.00 18.51 H new ATOM 0 HB2 LEU A 47 17.755 17.700 35.367 1.00 22.54 H new ATOM 0 HB3 LEU A 47 18.746 16.848 36.218 1.00 22.54 H new ATOM 0 HG LEU A 47 19.409 18.187 33.801 1.00 33.26 H new ATOM 0 HD11 LEU A 47 20.973 19.623 34.994 1.00 29.54 H new ATOM 0 HD12 LEU A 47 19.487 19.839 35.499 1.00 29.54 H new ATOM 0 HD13 LEU A 47 20.494 18.965 36.353 1.00 29.54 H new ATOM 0 HD21 LEU A 47 21.647 17.586 34.108 1.00 28.63 H new ATOM 0 HD22 LEU A 47 21.201 16.724 35.360 1.00 28.63 H new ATOM 0 HD23 LEU A 47 20.711 16.324 33.908 1.00 28.63 H new ATOM 374 N LYS A 48 15.618 15.294 35.229 1.00 51.23 N ATOM 375 CA LYS A 48 14.409 14.666 35.959 1.00 53.75 C ATOM 376 C LYS A 48 14.305 13.131 35.931 1.00 49.45 C ATOM 377 O LYS A 48 14.239 12.515 34.832 1.00 48.66 O ATOM 378 CB LYS A 48 13.091 14.993 35.327 1.00 43.42 C ATOM 379 CG LYS A 48 12.919 16.489 35.397 0.00 0.00 C ATOM 380 CD LYS A 48 11.493 16.683 34.931 0.00 0.00 C ATOM 381 CE LYS A 48 11.144 16.079 33.534 0.00 0.00 C ATOM 382 NZ LYS A 48 9.766 16.267 33.159 0.00 0.00 N ATOM 0 H LYS A 48 15.392 15.864 34.626 1.00 51.23 H new ATOM 0 HA LYS A 48 14.569 15.028 36.845 1.00 53.75 H new ATOM 0 HB2 LYS A 48 13.069 14.689 34.406 1.00 43.42 H new ATOM 0 HB3 LYS A 48 12.368 14.544 35.792 1.00 43.42 H new ATOM 0 HG2 LYS A 48 13.053 16.825 36.297 0.00 0.00 H new ATOM 0 HG3 LYS A 48 13.551 16.951 34.825 0.00 0.00 H new ATOM 0 HD2 LYS A 48 10.899 16.292 35.591 0.00 0.00 H new ATOM 0 HD3 LYS A 48 11.305 17.634 34.909 0.00 0.00 H new ATOM 0 HE2 LYS A 48 11.714 16.485 32.862 0.00 0.00 H new ATOM 0 HE3 LYS A 48 11.344 15.130 33.540 0.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.624 15.905 32.358 0.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.239 15.875 33.759 0.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.583 17.137 33.127 0.00 0.00 H new ATOM 383 N GLY A 49 14.300 12.543 37.093 1.00 48.00 N ATOM 384 CA GLY A 49 14.093 11.070 37.199 1.00 52.62 C ATOM 385 C GLY A 49 15.409 10.498 37.328 1.00 53.57 C ATOM 386 O GLY A 49 15.404 9.386 37.915 1.00 51.53 O ATOM 0 H GLY A 49 14.411 12.948 37.844 1.00 48.00 H new ATOM 0 HA2 GLY A 49 13.541 10.850 37.966 1.00 52.62 H new ATOM 0 HA3 GLY A 49 13.639 10.725 36.414 1.00 52.62 H new ATOM 387 N THR A 50 16.511 11.266 36.884 1.00 42.79 N ATOM 388 CA THR A 50 17.831 10.830 37.087 1.00 49.43 C ATOM 389 C THR A 50 18.269 11.033 38.544 1.00 50.41 C ATOM 390 O THR A 50 17.662 11.744 39.295 1.00 51.16 O ATOM 391 CB THR A 50 18.929 11.623 36.184 1.00 48.54 C ATOM 392 OG1 THR A 50 19.398 12.920 36.756 1.00 35.54 O ATOM 393 CG2 THR A 50 18.437 11.791 34.743 1.00 33.23 C ATOM 0 H THR A 50 16.441 12.020 36.477 1.00 42.79 H new ATOM 0 HA THR A 50 17.811 9.893 36.835 1.00 49.43 H new ATOM 0 HB THR A 50 19.716 11.056 36.187 1.00 48.54 H new ATOM 0 HG1 THR A 50 18.775 13.482 36.724 1.00 35.54 H new ATOM 0 HG21 THR A 50 19.106 12.265 34.225 1.00 33.23 H new ATOM 0 HG22 THR A 50 18.283 10.918 34.349 1.00 33.23 H new ATOM 0 HG23 THR A 50 17.609 12.297 34.740 1.00 33.23 H new ATOM 394 N SER A 51 19.322 10.518 38.945 1.00 46.17 N ATOM 395 CA SER A 51 19.844 10.839 40.296 1.00 48.35 C ATOM 396 C SER A 51 21.207 11.752 40.243 1.00 54.81 C ATOM 397 O SER A 51 21.411 12.849 40.881 1.00 51.26 O ATOM 398 CB SER A 51 20.002 9.560 41.088 1.00 56.81 C ATOM 399 OG SER A 51 20.511 9.959 42.392 0.00 0.00 O ATOM 0 H SER A 51 19.800 9.966 38.491 1.00 46.17 H new ATOM 0 HA SER A 51 19.200 11.397 40.759 1.00 48.35 H new ATOM 0 HB2 SER A 51 19.154 9.097 41.173 1.00 56.81 H new ATOM 0 HB3 SER A 51 20.615 8.951 40.647 1.00 56.81 H new ATOM 0 HG SER A 51 20.615 9.278 42.873 0.00 0.00 H new ATOM 400 N GLU A 52 22.004 11.392 39.320 1.00 42.86 N ATOM 401 CA GLU A 52 23.267 12.231 38.932 1.00 45.24 C ATOM 402 C GLU A 52 23.124 12.871 37.570 1.00 40.86 C ATOM 403 O GLU A 52 22.276 12.297 36.743 1.00 38.62 O ATOM 404 CB GLU A 52 24.416 11.375 38.862 1.00 38.01 C ATOM 405 CG GLU A 52 24.710 10.767 40.224 0.00 0.00 C ATOM 406 CD GLU A 52 25.936 10.048 40.060 0.00 0.00 C ATOM 407 OE1 GLU A 52 26.754 10.394 39.121 0.00 0.00 O ATOM 408 OE2 GLU A 52 26.307 9.381 41.019 0.00 0.00 O ATOM 0 H GLU A 52 21.902 10.675 38.856 1.00 42.86 H new ATOM 0 HA GLU A 52 23.364 12.917 39.611 1.00 45.24 H new ATOM 0 HB2 GLU A 52 24.262 10.670 38.213 1.00 38.01 H new ATOM 0 HB3 GLU A 52 25.185 11.881 38.555 1.00 38.01 H new ATOM 0 HG2 GLU A 52 24.796 11.454 40.903 0.00 0.00 H new ATOM 0 HG3 GLU A 52 23.993 10.177 40.506 0.00 0.00 H new ATOM 409 N VAL A 53 23.973 13.985 37.339 1.00 24.15 N ATOM 410 CA VAL A 53 24.061 14.645 36.035 1.00 27.80 C ATOM 411 C VAL A 53 24.693 13.777 35.037 1.00 26.39 C ATOM 412 O VAL A 53 25.765 13.339 35.343 1.00 18.68 O ATOM 413 CB VAL A 53 24.919 16.066 36.158 1.00 27.50 C ATOM 414 CG1 VAL A 53 25.129 16.814 34.812 1.00 13.41 C ATOM 415 CG2 VAL A 53 24.321 16.937 37.200 1.00 14.02 C ATOM 0 H VAL A 53 24.478 14.332 37.943 1.00 24.15 H new ATOM 0 HA VAL A 53 23.156 14.838 35.745 1.00 27.80 H new ATOM 0 HB VAL A 53 25.817 15.820 36.431 1.00 27.50 H new ATOM 0 HG11 VAL A 53 25.635 17.627 34.969 1.00 13.41 H new ATOM 0 HG12 VAL A 53 25.617 16.244 34.197 1.00 13.41 H new ATOM 0 HG13 VAL A 53 24.267 17.039 34.429 1.00 13.41 H new ATOM 0 HG21 VAL A 53 24.828 17.761 37.263 1.00 14.02 H new ATOM 0 HG22 VAL A 53 23.402 17.140 36.964 1.00 14.02 H new ATOM 0 HG23 VAL A 53 24.341 16.479 38.055 1.00 14.02 H new ATOM 416 N PRO A 54 23.922 13.321 34.014 1.00 15.45 N ATOM 417 CA PRO A 54 24.368 12.475 32.949 1.00 9.57 C ATOM 418 C PRO A 54 25.655 13.166 32.262 1.00 19.19 C ATOM 419 O PRO A 54 25.897 14.434 32.163 1.00 27.29 O ATOM 420 CB PRO A 54 23.227 12.234 31.908 1.00 6.35 C ATOM 421 CG PRO A 54 22.160 13.100 32.325 1.00 21.17 C ATOM 422 CD PRO A 54 22.602 13.722 33.687 1.00 12.28 C ATOM 0 HA PRO A 54 24.614 11.604 33.299 1.00 9.57 H new ATOM 0 HB2 PRO A 54 23.521 12.446 31.008 1.00 6.35 H new ATOM 0 HB3 PRO A 54 22.945 11.306 31.903 1.00 6.35 H new ATOM 0 HG2 PRO A 54 21.999 13.792 31.665 1.00 21.17 H new ATOM 0 HG3 PRO A 54 21.332 12.605 32.424 1.00 21.17 H new ATOM 0 HD2 PRO A 54 22.556 14.690 33.637 1.00 12.28 H new ATOM 0 HD3 PRO A 54 21.991 13.445 34.388 1.00 12.28 H new ATOM 423 N GLN A 55 26.511 12.375 31.889 1.00 16.89 N ATOM 424 CA GLN A 55 27.831 12.938 31.331 1.00 23.78 C ATOM 425 C GLN A 55 27.904 12.951 29.807 1.00 21.88 C ATOM 426 O GLN A 55 28.783 13.776 29.214 1.00 25.36 O ATOM 427 CB GLN A 55 28.914 12.172 31.905 1.00 22.25 C ATOM 428 CG GLN A 55 28.711 11.973 33.420 1.00 31.67 C ATOM 429 CD GLN A 55 29.957 11.483 33.996 1.00 54.30 C ATOM 430 OE1 GLN A 55 31.079 11.840 33.431 1.00 52.66 O ATOM 431 NE2 GLN A 55 29.827 11.097 35.255 1.00 55.72 N ATOM 0 H GLN A 55 26.445 11.518 31.909 1.00 16.89 H new ATOM 0 HA GLN A 55 27.894 13.873 31.583 1.00 23.78 H new ATOM 0 HB2 GLN A 55 28.971 11.308 31.467 1.00 22.25 H new ATOM 0 HB3 GLN A 55 29.756 12.627 31.745 1.00 22.25 H new ATOM 0 HG2 GLN A 55 28.453 12.810 33.838 1.00 31.67 H new ATOM 0 HG3 GLN A 55 27.993 11.341 33.583 1.00 31.67 H new ATOM 0 HE21 GLN A 55 29.054 10.876 35.559 1.00 55.72 H new ATOM 0 HE22 GLN A 55 30.516 11.068 35.769 1.00 55.72 H new ATOM 432 N ASN A 56 27.073 12.008 29.186 1.00 23.07 N ATOM 433 CA ASN A 56 27.048 11.865 27.722 1.00 12.96 C ATOM 434 C ASN A 56 25.651 11.906 27.136 1.00 13.61 C ATOM 435 O ASN A 56 25.168 11.045 26.282 1.00 14.57 O ATOM 436 CB ASN A 56 27.503 10.521 27.291 1.00 3.00 C ATOM 437 CG ASN A 56 28.998 10.546 27.607 1.00 23.28 C ATOM 438 OD1 ASN A 56 29.321 10.025 28.680 1.00 20.95 O ATOM 439 ND2 ASN A 56 29.813 11.489 26.960 1.00 19.21 N ATOM 0 H ASN A 56 26.546 11.475 29.608 1.00 23.07 H new ATOM 0 HA ASN A 56 27.609 12.598 27.424 1.00 12.96 H new ATOM 0 HB2 ASN A 56 27.046 9.815 27.774 1.00 3.00 H new ATOM 0 HB3 ASN A 56 27.338 10.372 26.347 1.00 3.00 H new ATOM 0 HD21 ASN A 56 30.564 11.721 27.310 1.00 19.21 H new ATOM 0 HD22 ASN A 56 29.562 11.835 26.214 1.00 19.21 H new ATOM 440 N ASN A 57 25.017 12.868 27.581 1.00 5.28 N ATOM 441 CA ASN A 57 23.659 13.022 27.117 1.00 17.66 C ATOM 442 C ASN A 57 23.710 14.189 26.128 1.00 12.25 C ATOM 443 O ASN A 57 24.212 15.357 26.504 1.00 17.59 O ATOM 444 CB ASN A 57 22.779 13.288 28.327 1.00 7.06 C ATOM 445 CG ASN A 57 21.318 13.274 27.879 1.00 16.30 C ATOM 446 OD1 ASN A 57 20.989 14.317 27.357 1.00 20.59 O ATOM 447 ND2 ASN A 57 20.437 12.373 28.513 1.00 14.86 N ATOM 0 H ASN A 57 25.304 13.455 28.140 1.00 5.28 H new ATOM 0 HA ASN A 57 23.288 12.242 26.675 1.00 17.66 H new ATOM 0 HB2 ASN A 57 22.929 12.613 29.007 1.00 7.06 H new ATOM 0 HB3 ASN A 57 23.002 14.145 28.723 1.00 7.06 H new ATOM 0 HD21 ASN A 57 19.596 12.548 28.549 1.00 14.86 H new ATOM 0 HD22 ASN A 57 20.741 11.649 28.863 1.00 14.86 H new ATOM 448 N PRO A 58 23.308 13.881 24.893 1.00 15.80 N ATOM 449 CA PRO A 58 23.464 14.871 23.795 1.00 13.31 C ATOM 450 C PRO A 58 22.607 15.990 23.968 1.00 8.41 C ATOM 451 O PRO A 58 22.987 17.119 23.427 1.00 14.45 O ATOM 452 CB PRO A 58 23.067 14.112 22.483 1.00 14.62 C ATOM 453 CG PRO A 58 22.554 12.640 22.868 1.00 13.37 C ATOM 454 CD PRO A 58 22.753 12.521 24.388 1.00 21.78 C ATOM 0 HA PRO A 58 24.371 15.213 23.773 1.00 13.31 H new ATOM 0 HB2 PRO A 58 22.371 14.597 22.012 1.00 14.62 H new ATOM 0 HB3 PRO A 58 23.828 14.056 21.885 1.00 14.62 H new ATOM 0 HG2 PRO A 58 21.622 12.521 22.627 1.00 13.37 H new ATOM 0 HG3 PRO A 58 23.058 11.959 22.395 1.00 13.37 H new ATOM 0 HD2 PRO A 58 21.914 12.311 24.827 1.00 21.78 H new ATOM 0 HD3 PRO A 58 23.370 11.802 24.596 1.00 21.78 H new ATOM 455 N GLU A 59 21.482 15.687 24.674 1.00 12.64 N ATOM 456 CA GLU A 59 20.632 16.729 24.923 1.00 13.59 C ATOM 457 C GLU A 59 21.367 17.801 25.846 1.00 9.58 C ATOM 458 O GLU A 59 21.443 19.029 25.557 1.00 13.78 O ATOM 459 CB GLU A 59 19.280 16.170 25.595 1.00 9.33 C ATOM 460 CG GLU A 59 18.117 15.864 24.586 1.00 46.79 C ATOM 461 CD GLU A 59 16.792 15.839 25.349 1.00 63.96 C ATOM 462 OE1 GLU A 59 16.421 16.950 25.643 1.00 56.80 O ATOM 463 OE2 GLU A 59 16.338 14.809 26.027 1.00 51.06 O ATOM 0 H GLU A 59 21.254 14.915 24.976 1.00 12.64 H new ATOM 0 HA GLU A 59 20.385 17.172 24.096 1.00 13.59 H new ATOM 0 HB2 GLU A 59 19.489 15.358 26.083 1.00 9.33 H new ATOM 0 HB3 GLU A 59 18.965 16.818 26.244 1.00 9.33 H new ATOM 0 HG2 GLU A 59 18.091 16.539 23.890 1.00 46.79 H new ATOM 0 HG3 GLU A 59 18.268 15.012 24.149 1.00 46.79 H new ATOM 464 N LEU A 60 21.922 17.314 26.880 1.00 10.18 N ATOM 465 CA LEU A 60 22.715 18.198 27.843 1.00 12.17 C ATOM 466 C LEU A 60 23.917 19.049 27.155 1.00 9.81 C ATOM 467 O LEU A 60 24.184 20.299 27.385 1.00 12.09 O ATOM 468 CB LEU A 60 23.164 17.319 28.984 1.00 19.65 C ATOM 469 CG LEU A 60 23.935 18.103 30.156 1.00 13.36 C ATOM 470 CD1 LEU A 60 23.610 17.351 31.487 1.00 6.40 C ATOM 471 CD2 LEU A 60 25.480 18.398 29.933 1.00 8.80 C ATOM 0 H LEU A 60 21.890 16.483 27.100 1.00 10.18 H new ATOM 0 HA LEU A 60 22.139 18.906 28.173 1.00 12.17 H new ATOM 0 HB2 LEU A 60 22.389 16.875 29.361 1.00 19.65 H new ATOM 0 HB3 LEU A 60 23.746 16.626 28.635 1.00 19.65 H new ATOM 0 HG LEU A 60 23.604 19.014 30.177 1.00 13.36 H new ATOM 0 HD11 LEU A 60 24.057 17.792 32.226 1.00 6.40 H new ATOM 0 HD12 LEU A 60 22.652 17.360 31.638 1.00 6.40 H new ATOM 0 HD13 LEU A 60 23.919 16.434 31.424 1.00 6.40 H new ATOM 0 HD21 LEU A 60 25.833 18.872 30.702 1.00 8.80 H new ATOM 0 HD22 LEU A 60 25.957 17.561 29.823 1.00 8.80 H new ATOM 0 HD23 LEU A 60 25.594 18.942 29.138 1.00 8.80 H new ATOM 472 N GLN A 61 24.586 18.381 26.311 1.00 10.78 N ATOM 473 CA GLN A 61 25.801 19.045 25.612 1.00 3.54 C ATOM 474 C GLN A 61 25.493 20.127 24.636 1.00 11.94 C ATOM 475 O GLN A 61 26.145 21.307 24.704 1.00 6.82 O ATOM 476 CB GLN A 61 26.543 18.003 24.900 1.00 3.00 C ATOM 477 CG GLN A 61 27.189 17.149 25.930 1.00 3.00 C ATOM 478 CD GLN A 61 27.789 16.028 25.225 1.00 15.50 C ATOM 479 OE1 GLN A 61 28.217 15.128 25.910 1.00 16.83 O ATOM 480 NE2 GLN A 61 27.466 15.875 23.958 1.00 9.59 N ATOM 0 H GLN A 61 24.425 17.568 26.082 1.00 10.78 H new ATOM 0 HA GLN A 61 26.300 19.472 26.326 1.00 3.54 H new ATOM 0 HB2 GLN A 61 25.948 17.478 24.343 1.00 3.00 H new ATOM 0 HB3 GLN A 61 27.208 18.395 24.313 1.00 3.00 H new ATOM 0 HG2 GLN A 61 27.862 17.648 26.419 1.00 3.00 H new ATOM 0 HG3 GLN A 61 26.538 16.839 26.579 1.00 3.00 H new ATOM 0 HE21 GLN A 61 27.165 16.543 23.507 1.00 9.59 H new ATOM 0 HE22 GLN A 61 27.556 15.107 23.581 1.00 9.59 H new ATOM 481 N ALA A 62 24.415 19.764 23.889 1.00 13.99 N ATOM 482 CA ALA A 62 23.925 20.701 22.946 1.00 20.10 C ATOM 483 C ALA A 62 23.427 21.889 23.633 1.00 17.07 C ATOM 484 O ALA A 62 23.790 23.060 23.184 1.00 17.78 O ATOM 485 CB ALA A 62 22.786 19.967 22.066 1.00 13.05 C ATOM 0 H ALA A 62 23.998 19.013 23.934 1.00 13.99 H new ATOM 0 HA ALA A 62 24.629 21.004 22.351 1.00 20.10 H new ATOM 0 HB1 ALA A 62 22.433 20.589 21.410 1.00 13.05 H new ATOM 0 HB2 ALA A 62 23.171 19.202 21.611 1.00 13.05 H new ATOM 0 HB3 ALA A 62 22.069 19.669 22.648 1.00 13.05 H new ATOM 486 N HIS A 63 22.672 21.596 24.707 1.00 9.93 N ATOM 487 CA HIS A 63 22.166 22.651 25.499 1.00 13.20 C ATOM 488 C HIS A 63 23.323 23.705 26.014 1.00 16.94 C ATOM 489 O HIS A 63 23.347 24.942 25.763 1.00 16.73 O ATOM 490 CB HIS A 63 21.353 21.995 26.705 1.00 6.00 C ATOM 491 CG HIS A 63 20.776 23.022 27.603 1.00 16.13 C ATOM 492 ND1 HIS A 63 19.421 23.194 27.514 1.00 27.98 N ATOM 493 CD2 HIS A 63 21.380 23.838 28.573 1.00 23.36 C ATOM 494 CE1 HIS A 63 19.206 24.169 28.465 1.00 18.81 C ATOM 495 NE2 HIS A 63 20.440 24.577 29.125 1.00 15.38 N ATOM 0 H HIS A 63 22.462 20.803 24.965 1.00 9.93 H new ATOM 0 HA HIS A 63 21.579 23.203 24.958 1.00 13.20 H new ATOM 0 HB2 HIS A 63 20.642 21.439 26.351 1.00 6.00 H new ATOM 0 HB3 HIS A 63 21.941 21.414 27.213 1.00 6.00 H new ATOM 0 HD2 HIS A 63 22.285 23.854 28.788 1.00 23.36 H new ATOM 0 HE1 HIS A 63 18.370 24.525 28.663 1.00 18.81 H new ATOM 0 HE2 HIS A 63 20.534 25.170 29.740 1.00 15.38 H new ATOM 496 N ALA A 64 24.190 23.209 26.794 1.00 13.74 N ATOM 497 CA ALA A 64 25.295 24.071 27.482 1.00 10.86 C ATOM 498 C ALA A 64 26.291 24.861 26.505 1.00 8.79 C ATOM 499 O ALA A 64 26.691 26.099 26.706 1.00 15.93 O ATOM 500 CB ALA A 64 26.038 23.233 28.442 1.00 5.23 C ATOM 0 H ALA A 64 24.225 22.373 26.993 1.00 13.74 H new ATOM 0 HA ALA A 64 24.821 24.785 27.936 1.00 10.86 H new ATOM 0 HB1 ALA A 64 26.726 23.765 28.872 1.00 5.23 H new ATOM 0 HB2 ALA A 64 25.427 22.891 29.114 1.00 5.23 H new ATOM 0 HB3 ALA A 64 26.450 22.491 27.973 1.00 5.23 H new ATOM 501 N GLY A 65 26.489 24.209 25.388 1.00 15.69 N ATOM 502 CA GLY A 65 27.286 24.848 24.258 1.00 22.74 C ATOM 503 C GLY A 65 26.747 26.089 23.711 1.00 26.45 C ATOM 504 O GLY A 65 27.552 27.169 23.521 1.00 17.35 O ATOM 0 H GLY A 65 26.197 23.416 25.226 1.00 15.69 H new ATOM 0 HA2 GLY A 65 28.185 25.021 24.579 1.00 22.74 H new ATOM 0 HA3 GLY A 65 27.362 24.204 23.536 1.00 22.74 H new ATOM 505 N LYS A 66 25.421 25.947 23.534 1.00 15.32 N ATOM 506 CA LYS A 66 24.729 27.053 23.048 1.00 13.79 C ATOM 507 C LYS A 66 24.847 28.234 24.026 1.00 21.08 C ATOM 508 O LYS A 66 24.923 29.420 23.584 1.00 16.71 O ATOM 509 CB LYS A 66 23.211 26.561 22.790 1.00 11.69 C ATOM 510 CG LYS A 66 22.962 25.502 21.663 1.00 55.13 C ATOM 511 CD LYS A 66 21.470 24.812 21.571 1.00 56.23 C ATOM 512 CE LYS A 66 20.507 25.774 21.094 1.00 57.00 C ATOM 513 NZ LYS A 66 19.139 25.013 20.904 0.00 0.00 N ATOM 0 H LYS A 66 24.958 25.240 23.691 1.00 15.32 H new ATOM 0 HA LYS A 66 25.098 27.387 22.215 1.00 13.79 H new ATOM 0 HB2 LYS A 66 22.872 26.195 23.622 1.00 11.69 H new ATOM 0 HB3 LYS A 66 22.676 27.344 22.586 1.00 11.69 H new ATOM 0 HG2 LYS A 66 23.147 25.926 20.810 1.00 55.13 H new ATOM 0 HG3 LYS A 66 23.612 24.791 21.774 1.00 55.13 H new ATOM 0 HD2 LYS A 66 21.496 24.047 20.975 1.00 56.23 H new ATOM 0 HD3 LYS A 66 21.204 24.483 22.444 1.00 56.23 H new ATOM 0 HE2 LYS A 66 20.408 26.502 21.727 1.00 57.00 H new ATOM 0 HE3 LYS A 66 20.800 26.165 20.256 1.00 57.00 H new ATOM 0 HZ1 LYS A 66 18.521 25.582 20.609 0.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.244 24.356 20.312 0.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.879 24.671 21.683 0.00 0.00 H new ATOM 514 N VAL A 67 24.782 27.912 25.308 1.00 14.88 N ATOM 515 CA VAL A 67 24.859 28.973 26.342 1.00 22.85 C ATOM 516 C VAL A 67 26.231 29.882 26.324 1.00 9.65 C ATOM 517 O VAL A 67 26.301 31.145 26.242 1.00 15.05 O ATOM 518 CB VAL A 67 24.608 28.366 27.757 1.00 22.34 C ATOM 519 CG1 VAL A 67 24.873 29.458 28.858 1.00 9.36 C ATOM 520 CG2 VAL A 67 23.183 27.532 27.891 1.00 16.67 C ATOM 0 H VAL A 67 24.696 27.111 25.610 1.00 14.88 H new ATOM 0 HA VAL A 67 24.154 29.600 26.116 1.00 22.85 H new ATOM 0 HB VAL A 67 25.255 27.660 27.911 1.00 22.34 H new ATOM 0 HG11 VAL A 67 24.716 29.077 29.736 1.00 9.36 H new ATOM 0 HG12 VAL A 67 25.792 29.762 28.798 1.00 9.36 H new ATOM 0 HG13 VAL A 67 24.275 30.209 28.720 1.00 9.36 H new ATOM 0 HG21 VAL A 67 23.095 27.185 28.792 1.00 16.67 H new ATOM 0 HG22 VAL A 67 22.441 28.126 27.700 1.00 16.67 H new ATOM 0 HG23 VAL A 67 23.178 26.796 27.260 1.00 16.67 H new ATOM 521 N PHE A 68 27.279 29.235 26.266 1.00 8.85 N ATOM 522 CA PHE A 68 28.658 29.981 26.215 1.00 15.19 C ATOM 523 C PHE A 68 28.942 30.738 24.901 1.00 14.56 C ATOM 524 O PHE A 68 29.689 31.871 24.894 1.00 17.99 O ATOM 525 CB PHE A 68 29.704 29.029 26.420 1.00 3.48 C ATOM 526 CG PHE A 68 29.851 28.671 27.905 1.00 13.98 C ATOM 527 CD1 PHE A 68 30.957 29.283 28.617 1.00 19.01 C ATOM 528 CD2 PHE A 68 28.895 27.729 28.520 1.00 8.84 C ATOM 529 CE1 PHE A 68 31.112 28.956 29.951 1.00 11.99 C ATOM 530 CE2 PHE A 68 29.040 27.393 29.851 1.00 12.51 C ATOM 531 CZ PHE A 68 30.153 28.007 30.568 1.00 14.29 C ATOM 0 H PHE A 68 27.326 28.376 26.250 1.00 8.85 H new ATOM 0 HA PHE A 68 28.620 30.653 26.913 1.00 15.19 H new ATOM 0 HB2 PHE A 68 29.518 28.226 25.909 1.00 3.48 H new ATOM 0 HB3 PHE A 68 30.541 29.389 26.088 1.00 3.48 H new ATOM 0 HD1 PHE A 68 31.539 29.872 28.193 1.00 19.01 H new ATOM 0 HD2 PHE A 68 28.203 27.366 28.016 1.00 8.84 H new ATOM 0 HE1 PHE A 68 31.804 29.324 30.452 1.00 11.99 H new ATOM 0 HE2 PHE A 68 28.456 26.803 30.271 1.00 12.51 H new ATOM 0 HZ PHE A 68 30.268 27.790 31.465 1.00 14.29 H new ATOM 532 N LYS A 69 28.301 30.153 23.854 1.00 13.23 N ATOM 533 CA LYS A 69 28.509 30.783 22.538 1.00 4.81 C ATOM 534 C LYS A 69 27.944 32.104 22.469 1.00 3.00 C ATOM 535 O LYS A 69 28.612 33.106 21.897 1.00 15.63 O ATOM 536 CB LYS A 69 27.866 29.852 21.409 1.00 12.62 C ATOM 537 CG LYS A 69 28.425 30.377 20.038 1.00 14.74 C ATOM 538 CD LYS A 69 27.471 29.841 18.886 1.00 43.23 C ATOM 539 CE LYS A 69 26.080 30.299 19.052 1.00 47.99 C ATOM 540 NZ LYS A 69 25.272 30.005 17.833 0.00 0.00 N ATOM 0 H LYS A 69 27.792 29.460 23.882 1.00 13.23 H new ATOM 0 HA LYS A 69 29.464 30.876 22.397 1.00 4.81 H new ATOM 0 HB2 LYS A 69 28.106 28.923 21.548 1.00 12.62 H new ATOM 0 HB3 LYS A 69 26.897 29.901 21.430 1.00 12.62 H new ATOM 0 HG2 LYS A 69 28.454 31.347 20.032 1.00 14.74 H new ATOM 0 HG3 LYS A 69 29.333 30.065 19.900 1.00 14.74 H new ATOM 0 HD2 LYS A 69 27.807 30.139 18.026 1.00 43.23 H new ATOM 0 HD3 LYS A 69 27.491 28.871 18.878 1.00 43.23 H new ATOM 0 HE2 LYS A 69 25.682 29.863 19.821 1.00 47.99 H new ATOM 0 HE3 LYS A 69 26.069 31.253 19.230 1.00 47.99 H new ATOM 0 HZ1 LYS A 69 24.437 30.289 17.954 0.00 0.00 H new ATOM 0 HZ2 LYS A 69 25.628 30.423 17.133 0.00 0.00 H new ATOM 0 HZ3 LYS A 69 25.268 29.128 17.684 0.00 0.00 H new ATOM 541 N LEU A 70 26.751 32.076 23.028 1.00 3.07 N ATOM 542 CA LEU A 70 26.044 33.251 23.043 1.00 10.20 C ATOM 543 C LEU A 70 26.772 34.405 23.890 1.00 13.31 C ATOM 544 O LEU A 70 26.794 35.605 23.514 1.00 14.80 O ATOM 545 CB LEU A 70 24.594 32.868 23.576 1.00 6.93 C ATOM 546 CG LEU A 70 23.643 32.080 22.538 1.00 17.78 C ATOM 547 CD1 LEU A 70 22.217 31.647 23.123 1.00 26.67 C ATOM 548 CD2 LEU A 70 23.593 32.898 21.238 1.00 18.60 C ATOM 0 H LEU A 70 26.371 31.392 23.385 1.00 3.07 H new ATOM 0 HA LEU A 70 25.984 33.645 22.158 1.00 10.20 H new ATOM 0 HB2 LEU A 70 24.695 32.323 24.372 1.00 6.93 H new ATOM 0 HB3 LEU A 70 24.143 33.683 23.846 1.00 6.93 H new ATOM 0 HG LEU A 70 24.030 31.211 22.349 1.00 17.78 H new ATOM 0 HD11 LEU A 70 21.713 31.182 22.437 1.00 26.67 H new ATOM 0 HD12 LEU A 70 22.344 31.060 23.884 1.00 26.67 H new ATOM 0 HD13 LEU A 70 21.728 32.437 23.403 1.00 26.67 H new ATOM 0 HD21 LEU A 70 23.026 32.447 20.593 1.00 18.60 H new ATOM 0 HD22 LEU A 70 23.233 33.779 21.424 1.00 18.60 H new ATOM 0 HD23 LEU A 70 24.489 32.985 20.876 1.00 18.60 H new ATOM 549 N VAL A 71 27.371 34.056 24.977 1.00 11.08 N ATOM 550 CA VAL A 71 28.127 35.113 25.826 1.00 18.12 C ATOM 551 C VAL A 71 29.447 35.751 25.166 1.00 18.27 C ATOM 552 O VAL A 71 29.765 37.017 25.110 1.00 13.31 O ATOM 553 CB VAL A 71 28.370 34.574 27.239 1.00 9.86 C ATOM 554 CG1 VAL A 71 29.320 35.616 28.076 1.00 9.44 C ATOM 555 CG2 VAL A 71 27.017 34.153 27.983 1.00 3.00 C ATOM 0 H VAL A 71 27.391 33.255 25.289 1.00 11.08 H new ATOM 0 HA VAL A 71 27.534 35.879 25.868 1.00 18.12 H new ATOM 0 HB VAL A 71 28.860 33.739 27.178 1.00 9.86 H new ATOM 0 HG11 VAL A 71 29.471 35.270 28.970 1.00 9.44 H new ATOM 0 HG12 VAL A 71 30.171 35.716 27.621 1.00 9.44 H new ATOM 0 HG13 VAL A 71 28.881 36.479 28.134 1.00 9.44 H new ATOM 0 HG21 VAL A 71 27.225 33.820 28.870 1.00 3.00 H new ATOM 0 HG22 VAL A 71 26.434 34.925 28.057 1.00 3.00 H new ATOM 0 HG23 VAL A 71 26.570 33.459 27.474 1.00 3.00 H new ATOM 556 N TYR A 72 30.059 34.894 24.494 1.00 15.25 N ATOM 557 CA TYR A 72 31.257 35.326 23.660 1.00 15.40 C ATOM 558 C TYR A 72 30.957 36.247 22.512 1.00 10.63 C ATOM 559 O TYR A 72 31.735 37.342 22.294 1.00 20.95 O ATOM 560 CB TYR A 72 31.798 34.048 23.156 1.00 9.00 C ATOM 561 CG TYR A 72 32.603 34.284 21.845 1.00 8.38 C ATOM 562 CD1 TYR A 72 32.029 33.726 20.681 1.00 21.73 C ATOM 563 CD2 TYR A 72 33.853 35.087 21.820 1.00 10.70 C ATOM 564 CE1 TYR A 72 32.701 33.976 19.475 1.00 29.51 C ATOM 565 CE2 TYR A 72 34.533 35.345 20.617 1.00 18.14 C ATOM 566 CZ TYR A 72 33.951 34.789 19.447 1.00 24.51 C ATOM 567 OH TYR A 72 34.642 35.056 18.201 1.00 34.21 O ATOM 0 H TYR A 72 29.862 34.058 24.457 1.00 15.25 H new ATOM 0 HA TYR A 72 31.864 35.850 24.206 1.00 15.40 H new ATOM 0 HB2 TYR A 72 32.371 33.645 23.827 1.00 9.00 H new ATOM 0 HB3 TYR A 72 31.073 33.425 22.990 1.00 9.00 H new ATOM 0 HD1 TYR A 72 31.249 33.221 20.712 1.00 21.73 H new ATOM 0 HD2 TYR A 72 34.193 35.426 22.617 1.00 10.70 H new ATOM 0 HE1 TYR A 72 32.362 33.630 18.681 1.00 29.51 H new ATOM 0 HE2 TYR A 72 35.315 35.848 20.589 1.00 18.14 H new ATOM 0 HH TYR A 72 35.323 35.524 18.353 1.00 34.21 H new ATOM 568 N GLU A 73 29.825 35.858 21.847 1.00 14.41 N ATOM 569 CA GLU A 73 29.437 36.678 20.745 1.00 9.05 C ATOM 570 C GLU A 73 29.065 38.017 21.221 1.00 12.28 C ATOM 571 O GLU A 73 29.372 39.056 20.511 1.00 19.34 O ATOM 572 CB GLU A 73 28.254 35.912 19.938 1.00 7.80 C ATOM 573 CG GLU A 73 28.692 34.732 19.156 1.00 22.60 C ATOM 574 CD GLU A 73 27.493 34.040 18.338 1.00 37.04 C ATOM 575 OE1 GLU A 73 27.666 33.122 17.530 1.00 37.97 O ATOM 576 OE2 GLU A 73 26.307 34.217 18.621 1.00 36.05 O ATOM 0 H GLU A 73 29.330 35.178 22.024 1.00 14.41 H new ATOM 0 HA GLU A 73 30.171 36.817 20.126 1.00 9.05 H new ATOM 0 HB2 GLU A 73 27.578 35.629 20.574 1.00 7.80 H new ATOM 0 HB3 GLU A 73 27.831 36.543 19.336 1.00 7.80 H new ATOM 0 HG2 GLU A 73 29.387 35.001 18.535 1.00 22.60 H new ATOM 0 HG3 GLU A 73 29.085 34.080 19.757 1.00 22.60 H new ATOM 577 N ALA A 74 28.499 37.992 22.411 1.00 8.88 N ATOM 578 CA ALA A 74 28.157 39.226 23.025 1.00 10.98 C ATOM 579 C ALA A 74 29.421 40.255 23.279 1.00 5.78 C ATOM 580 O ALA A 74 29.415 41.491 23.060 1.00 10.55 O ATOM 581 CB ALA A 74 27.422 38.903 24.367 1.00 10.72 C ATOM 0 H ALA A 74 28.313 37.284 22.862 1.00 8.88 H new ATOM 0 HA ALA A 74 27.585 39.707 22.407 1.00 10.98 H new ATOM 0 HB1 ALA A 74 27.176 39.731 24.809 1.00 10.72 H new ATOM 0 HB2 ALA A 74 26.622 38.386 24.182 1.00 10.72 H new ATOM 0 HB3 ALA A 74 28.011 38.392 24.944 1.00 10.72 H new ATOM 582 N ALA A 75 30.469 39.721 23.697 1.00 11.57 N ATOM 583 CA ALA A 75 31.777 40.545 23.998 1.00 10.85 C ATOM 584 C ALA A 75 32.409 41.249 22.752 1.00 11.50 C ATOM 585 O ALA A 75 32.969 42.464 22.801 1.00 17.66 O ATOM 586 CB ALA A 75 32.766 39.657 24.571 1.00 9.62 C ATOM 0 H ALA A 75 30.545 38.877 23.846 1.00 11.57 H new ATOM 0 HA ALA A 75 31.513 41.252 24.607 1.00 10.85 H new ATOM 0 HB1 ALA A 75 33.577 40.155 24.761 1.00 9.62 H new ATOM 0 HB2 ALA A 75 32.421 39.276 25.394 1.00 9.62 H new ATOM 0 HB3 ALA A 75 32.964 38.944 23.943 1.00 9.62 H new ATOM 587 N ILE A 76 32.276 40.499 21.671 1.00 17.74 N ATOM 588 CA ILE A 76 32.823 41.055 20.395 1.00 16.94 C ATOM 589 C ILE A 76 32.019 42.119 19.875 1.00 21.06 C ATOM 590 O ILE A 76 32.622 43.273 19.560 1.00 13.82 O ATOM 591 CB ILE A 76 32.840 39.936 19.338 1.00 17.84 C ATOM 592 CG1 ILE A 76 33.593 38.800 19.841 1.00 12.65 C ATOM 593 CG2 ILE A 76 33.422 40.522 17.997 1.00 18.99 C ATOM 594 CD1 ILE A 76 35.077 39.318 20.222 1.00 15.40 C ATOM 0 H ILE A 76 31.906 39.724 21.629 1.00 17.74 H new ATOM 0 HA ILE A 76 33.710 41.399 20.585 1.00 16.94 H new ATOM 0 HB ILE A 76 31.945 39.612 19.153 1.00 17.84 H new ATOM 0 HG12 ILE A 76 33.156 38.420 20.619 1.00 12.65 H new ATOM 0 HG13 ILE A 76 33.639 38.100 19.171 1.00 12.65 H new ATOM 0 HG21 ILE A 76 33.439 39.827 17.320 1.00 18.99 H new ATOM 0 HG22 ILE A 76 32.863 41.254 17.694 1.00 18.99 H new ATOM 0 HG23 ILE A 76 34.323 40.846 18.150 1.00 18.99 H new ATOM 0 HD11 ILE A 76 35.602 38.576 20.562 1.00 15.40 H new ATOM 0 HD12 ILE A 76 35.506 39.682 19.432 1.00 15.40 H new ATOM 0 HD13 ILE A 76 35.015 40.007 20.902 1.00 15.40 H new ATOM 595 N GLN A 77 30.694 41.788 19.939 1.00 4.26 N ATOM 596 CA GLN A 77 29.832 42.759 19.512 1.00 5.27 C ATOM 597 C GLN A 77 30.005 44.046 20.358 1.00 11.03 C ATOM 598 O GLN A 77 30.131 45.172 19.786 1.00 16.39 O ATOM 599 CB GLN A 77 28.345 42.074 19.422 1.00 10.31 C ATOM 600 CG GLN A 77 27.436 42.984 18.745 1.00 19.38 C ATOM 601 CD GLN A 77 26.070 42.134 18.435 1.00 26.25 C ATOM 602 OE1 GLN A 77 25.843 41.674 17.273 1.00 26.99 O ATOM 603 NE2 GLN A 77 25.397 41.620 19.489 1.00 11.35 N ATOM 0 H GLN A 77 30.354 41.048 20.214 1.00 4.26 H new ATOM 0 HA GLN A 77 30.015 43.090 18.619 1.00 5.27 H new ATOM 0 HB2 GLN A 77 28.394 41.233 18.942 1.00 10.31 H new ATOM 0 HB3 GLN A 77 28.015 41.874 20.312 1.00 10.31 H new ATOM 0 HG2 GLN A 77 27.244 43.756 19.300 1.00 19.38 H new ATOM 0 HG3 GLN A 77 27.829 43.317 17.923 1.00 19.38 H new ATOM 0 HE21 GLN A 77 25.542 41.923 20.281 1.00 11.35 H new ATOM 0 HE22 GLN A 77 24.824 40.990 19.368 1.00 11.35 H new ATOM 604 N LEU A 78 30.229 43.917 21.649 1.00 15.80 N ATOM 605 CA LEU A 78 30.539 45.116 22.525 1.00 13.92 C ATOM 606 C LEU A 78 31.859 46.004 22.136 1.00 7.28 C ATOM 607 O LEU A 78 31.951 47.270 22.151 1.00 22.08 O ATOM 608 CB LEU A 78 30.689 44.693 23.990 1.00 14.42 C ATOM 609 CG LEU A 78 29.329 44.390 24.728 1.00 12.78 C ATOM 610 CD1 LEU A 78 29.466 43.584 26.019 1.00 17.82 C ATOM 611 CD2 LEU A 78 28.745 45.699 25.015 1.00 5.62 C ATOM 0 H LEU A 78 30.214 43.165 22.067 1.00 15.80 H new ATOM 0 HA LEU A 78 29.773 45.690 22.370 1.00 13.92 H new ATOM 0 HB2 LEU A 78 31.249 43.902 24.030 1.00 14.42 H new ATOM 0 HB3 LEU A 78 31.155 45.395 24.471 1.00 14.42 H new ATOM 0 HG LEU A 78 28.778 43.832 24.157 1.00 12.78 H new ATOM 0 HD11 LEU A 78 28.588 43.443 26.407 1.00 17.82 H new ATOM 0 HD12 LEU A 78 29.875 42.726 25.823 1.00 17.82 H new ATOM 0 HD13 LEU A 78 30.022 44.071 26.647 1.00 17.82 H new ATOM 0 HD21 LEU A 78 27.898 45.582 25.473 1.00 5.62 H new ATOM 0 HD22 LEU A 78 29.350 46.207 25.578 1.00 5.62 H new ATOM 0 HD23 LEU A 78 28.599 46.178 24.184 1.00 5.62 H new ATOM 612 N GLU A 79 32.839 45.345 21.794 1.00 5.36 N ATOM 613 CA GLU A 79 34.171 46.063 21.420 1.00 9.13 C ATOM 614 C GLU A 79 34.132 46.786 20.080 1.00 17.30 C ATOM 615 O GLU A 79 34.761 47.966 19.941 1.00 17.60 O ATOM 616 CB GLU A 79 35.193 45.061 21.397 1.00 14.05 C ATOM 617 CG GLU A 79 36.681 45.749 21.291 1.00 11.80 C ATOM 618 CD GLU A 79 37.199 45.630 19.868 1.00 37.55 C ATOM 619 OE1 GLU A 79 36.805 44.567 19.215 1.00 32.87 O ATOM 620 OE2 GLU A 79 37.656 46.695 19.245 1.00 34.83 O ATOM 0 H GLU A 79 32.858 44.487 21.740 1.00 5.36 H new ATOM 0 HA GLU A 79 34.338 46.754 22.080 1.00 9.13 H new ATOM 0 HB2 GLU A 79 35.139 44.519 22.200 1.00 14.05 H new ATOM 0 HB3 GLU A 79 35.052 44.467 20.644 1.00 14.05 H new ATOM 0 HG2 GLU A 79 36.635 46.682 21.551 1.00 11.80 H new ATOM 0 HG3 GLU A 79 37.293 45.314 21.905 1.00 11.80 H new ATOM 621 N VAL A 80 33.443 46.082 19.126 1.00 13.33 N ATOM 622 CA VAL A 80 33.340 46.608 17.764 1.00 19.33 C ATOM 623 C VAL A 80 32.408 47.675 17.668 1.00 18.05 C ATOM 624 O VAL A 80 32.762 48.736 17.001 1.00 25.23 O ATOM 625 CB VAL A 80 32.864 45.424 16.796 1.00 5.27 C ATOM 626 CG1 VAL A 80 32.551 45.901 15.381 1.00 14.13 C ATOM 627 CG2 VAL A 80 33.920 44.463 16.733 1.00 8.32 C ATOM 0 H VAL A 80 33.050 45.329 19.259 1.00 13.33 H new ATOM 0 HA VAL A 80 34.211 46.950 17.509 1.00 19.33 H new ATOM 0 HB VAL A 80 32.045 45.050 17.158 1.00 5.27 H new ATOM 0 HG11 VAL A 80 32.269 45.147 14.840 1.00 14.13 H new ATOM 0 HG12 VAL A 80 31.840 46.560 15.411 1.00 14.13 H new ATOM 0 HG13 VAL A 80 33.345 46.299 14.991 1.00 14.13 H new ATOM 0 HG21 VAL A 80 33.658 43.732 16.152 1.00 8.32 H new ATOM 0 HG22 VAL A 80 34.720 44.884 16.382 1.00 8.32 H new ATOM 0 HG23 VAL A 80 34.099 44.120 17.622 1.00 8.32 H new ATOM 628 N THR A 81 31.211 47.350 18.223 1.00 6.31 N ATOM 629 CA THR A 81 30.122 48.150 18.031 1.00 8.02 C ATOM 630 C THR A 81 29.868 49.006 19.236 1.00 12.98 C ATOM 631 O THR A 81 29.236 49.981 19.070 1.00 19.52 O ATOM 632 CB THR A 81 28.786 47.235 17.656 1.00 10.90 C ATOM 633 OG1 THR A 81 28.175 46.556 18.821 1.00 20.33 O ATOM 634 CG2 THR A 81 28.983 46.185 16.581 1.00 12.18 C ATOM 0 H THR A 81 31.070 46.653 18.707 1.00 6.31 H new ATOM 0 HA THR A 81 30.305 48.739 17.283 1.00 8.02 H new ATOM 0 HB THR A 81 28.192 47.920 17.310 1.00 10.90 H new ATOM 0 HG1 THR A 81 28.710 45.985 19.125 1.00 20.33 H new ATOM 0 HG21 THR A 81 28.150 45.709 16.437 1.00 12.18 H new ATOM 0 HG22 THR A 81 29.256 46.614 15.755 1.00 12.18 H new ATOM 0 HG23 THR A 81 29.669 45.559 16.862 1.00 12.18 H new ATOM 635 N GLY A 82 30.211 48.579 20.415 1.00 7.91 N ATOM 636 CA GLY A 82 29.947 49.301 21.648 1.00 10.55 C ATOM 637 C GLY A 82 28.614 48.747 22.337 1.00 8.44 C ATOM 638 O GLY A 82 28.277 49.271 23.403 1.00 17.24 O ATOM 0 H GLY A 82 30.621 47.833 20.539 1.00 7.91 H new ATOM 0 HA2 GLY A 82 30.697 49.204 22.255 1.00 10.55 H new ATOM 0 HA3 GLY A 82 29.854 50.248 21.462 1.00 10.55 H new ATOM 639 N VAL A 83 27.824 47.777 21.711 1.00 14.85 N ATOM 640 CA VAL A 83 26.521 47.146 22.277 1.00 20.39 C ATOM 641 C VAL A 83 26.326 45.601 22.213 1.00 10.14 C ATOM 642 O VAL A 83 26.971 45.032 21.360 1.00 15.12 O ATOM 643 CB VAL A 83 25.308 47.674 21.591 1.00 12.69 C ATOM 644 CG1 VAL A 83 25.345 49.212 21.754 1.00 8.90 C ATOM 645 CG2 VAL A 83 25.116 47.250 20.112 1.00 11.92 C ATOM 0 H VAL A 83 28.028 47.461 20.938 1.00 14.85 H new ATOM 0 HA VAL A 83 26.630 47.395 23.208 1.00 20.39 H new ATOM 0 HB VAL A 83 24.531 47.275 22.013 1.00 12.69 H new ATOM 0 HG11 VAL A 83 24.570 49.602 21.321 1.00 8.90 H new ATOM 0 HG12 VAL A 83 25.335 49.438 22.697 1.00 8.90 H new ATOM 0 HG13 VAL A 83 26.153 49.561 21.347 1.00 8.90 H new ATOM 0 HG21 VAL A 83 24.302 47.646 19.765 1.00 11.92 H new ATOM 0 HG22 VAL A 83 25.873 47.554 19.587 1.00 11.92 H new ATOM 0 HG23 VAL A 83 25.053 46.284 20.058 1.00 11.92 H new ATOM 646 N VAL A 84 25.252 44.979 22.843 1.00 12.74 N ATOM 647 CA VAL A 84 24.621 43.597 22.504 1.00 15.10 C ATOM 648 C VAL A 84 23.291 43.662 21.776 1.00 4.05 C ATOM 649 O VAL A 84 22.431 44.285 22.308 1.00 17.19 O ATOM 650 CB VAL A 84 24.354 42.691 23.761 1.00 21.53 C ATOM 651 CG1 VAL A 84 23.641 41.250 23.428 1.00 10.26 C ATOM 652 CG2 VAL A 84 25.655 42.628 24.563 1.00 16.41 C ATOM 0 H VAL A 84 24.850 45.356 23.504 1.00 12.74 H new ATOM 0 HA VAL A 84 25.305 43.219 21.930 1.00 15.10 H new ATOM 0 HB VAL A 84 23.669 43.091 24.319 1.00 21.53 H new ATOM 0 HG11 VAL A 84 23.512 40.755 24.252 1.00 10.26 H new ATOM 0 HG12 VAL A 84 22.781 41.404 23.006 1.00 10.26 H new ATOM 0 HG13 VAL A 84 24.208 40.739 22.829 1.00 10.26 H new ATOM 0 HG21 VAL A 84 25.524 42.074 25.349 1.00 16.41 H new ATOM 0 HG22 VAL A 84 26.357 42.247 24.012 1.00 16.41 H new ATOM 0 HG23 VAL A 84 25.910 43.523 24.837 1.00 16.41 H new ATOM 653 N VAL A 85 23.213 43.209 20.534 1.00 13.55 N ATOM 654 CA VAL A 85 22.033 43.266 19.677 1.00 21.87 C ATOM 655 C VAL A 85 20.886 42.106 19.953 1.00 18.21 C ATOM 656 O VAL A 85 21.065 40.902 19.775 1.00 16.39 O ATOM 657 CB VAL A 85 22.439 43.244 18.190 1.00 21.17 C ATOM 658 CG1 VAL A 85 21.228 43.243 17.233 1.00 21.74 C ATOM 659 CG2 VAL A 85 23.591 44.406 17.865 1.00 28.98 C ATOM 0 H VAL A 85 23.884 42.839 20.144 1.00 13.55 H new ATOM 0 HA VAL A 85 21.611 44.107 19.912 1.00 21.87 H new ATOM 0 HB VAL A 85 22.868 42.393 18.010 1.00 21.17 H new ATOM 0 HG11 VAL A 85 21.541 43.229 16.315 1.00 21.74 H new ATOM 0 HG12 VAL A 85 20.683 42.458 17.401 1.00 21.74 H new ATOM 0 HG13 VAL A 85 20.698 44.042 17.381 1.00 21.74 H new ATOM 0 HG21 VAL A 85 23.829 44.372 16.925 1.00 28.98 H new ATOM 0 HG22 VAL A 85 23.235 45.283 18.076 1.00 28.98 H new ATOM 0 HG23 VAL A 85 24.380 44.240 18.404 1.00 28.98 H new ATOM 660 N THR A 86 19.749 42.471 20.368 1.00 24.74 N ATOM 661 CA THR A 86 18.526 41.488 20.596 1.00 36.40 C ATOM 662 C THR A 86 17.881 40.986 19.276 1.00 24.09 C ATOM 663 O THR A 86 17.314 41.771 18.568 1.00 37.66 O ATOM 664 CB THR A 86 17.453 42.125 21.373 1.00 40.49 C ATOM 665 OG1 THR A 86 18.046 42.897 22.490 1.00 41.88 O ATOM 666 CG2 THR A 86 16.276 41.039 21.831 1.00 39.18 C ATOM 0 H THR A 86 19.565 43.290 20.556 1.00 24.74 H new ATOM 0 HA THR A 86 18.911 40.737 21.075 1.00 36.40 H new ATOM 0 HB THR A 86 16.978 42.758 20.812 1.00 40.49 H new ATOM 0 HG1 THR A 86 17.434 43.263 22.934 1.00 41.88 H new ATOM 0 HG21 THR A 86 15.590 41.500 22.339 1.00 39.18 H new ATOM 0 HG22 THR A 86 15.879 40.640 21.041 1.00 39.18 H new ATOM 0 HG23 THR A 86 16.672 40.344 22.380 1.00 39.18 H new ATOM 667 N ASP A 87 17.982 39.742 18.943 1.00 24.18 N ATOM 668 CA ASP A 87 17.325 39.147 17.729 1.00 26.42 C ATOM 669 C ASP A 87 16.160 38.005 18.003 1.00 34.52 C ATOM 670 O ASP A 87 15.738 37.789 19.180 1.00 28.95 O ATOM 671 CB ASP A 87 18.348 38.675 16.760 1.00 12.11 C ATOM 672 CG ASP A 87 18.869 37.428 17.301 1.00 33.28 C ATOM 673 OD1 ASP A 87 18.727 37.123 18.519 1.00 40.42 O ATOM 674 OD2 ASP A 87 19.804 37.011 16.665 1.00 37.13 O ATOM 0 H ASP A 87 18.436 39.172 19.400 1.00 24.18 H new ATOM 0 HA ASP A 87 16.820 39.880 17.344 1.00 26.42 H new ATOM 0 HB2 ASP A 87 17.958 38.537 15.883 1.00 12.11 H new ATOM 0 HB3 ASP A 87 19.055 39.330 16.655 1.00 12.11 H new ATOM 675 N ALA A 88 15.686 37.306 16.947 1.00 31.88 N ATOM 676 CA ALA A 88 14.551 36.187 17.021 1.00 41.28 C ATOM 677 C ALA A 88 14.828 35.082 17.983 1.00 43.92 C ATOM 678 O ALA A 88 13.966 34.649 18.856 1.00 43.96 O ATOM 679 CB ALA A 88 14.236 35.565 15.628 1.00 38.44 C ATOM 0 H ALA A 88 15.980 37.429 16.148 1.00 31.88 H new ATOM 0 HA ALA A 88 13.779 36.675 17.349 1.00 41.28 H new ATOM 0 HB1 ALA A 88 13.543 34.893 15.723 1.00 38.44 H new ATOM 0 HB2 ALA A 88 13.931 36.260 15.024 1.00 38.44 H new ATOM 0 HB3 ALA A 88 15.038 35.154 15.268 1.00 38.44 H new ATOM 680 N THR A 89 16.049 34.760 17.884 1.00 23.05 N ATOM 681 CA THR A 89 16.569 33.763 18.738 1.00 22.50 C ATOM 682 C THR A 89 16.542 34.105 20.220 1.00 32.82 C ATOM 683 O THR A 89 16.110 33.204 21.058 1.00 33.03 O ATOM 684 CB THR A 89 18.031 33.681 18.320 1.00 32.55 C ATOM 685 OG1 THR A 89 18.034 33.297 16.940 1.00 46.96 O ATOM 686 CG2 THR A 89 18.695 32.687 19.178 1.00 39.28 C ATOM 0 H THR A 89 16.609 35.102 17.328 1.00 23.05 H new ATOM 0 HA THR A 89 16.040 32.955 18.651 1.00 22.50 H new ATOM 0 HB THR A 89 18.508 34.519 18.420 1.00 32.55 H new ATOM 0 HG1 THR A 89 18.826 33.241 16.666 1.00 46.96 H new ATOM 0 HG21 THR A 89 19.630 32.618 18.929 1.00 39.28 H new ATOM 0 HG22 THR A 89 18.627 32.963 20.105 1.00 39.28 H new ATOM 0 HG23 THR A 89 18.266 31.824 19.066 1.00 39.28 H new ATOM 687 N LEU A 90 16.948 35.374 20.537 1.00 22.28 N ATOM 688 CA LEU A 90 16.970 35.749 21.951 1.00 19.43 C ATOM 689 C LEU A 90 15.550 35.813 22.461 1.00 29.35 C ATOM 690 O LEU A 90 15.241 35.413 23.629 1.00 23.51 O ATOM 691 CB LEU A 90 17.901 37.100 22.239 1.00 20.38 C ATOM 692 CG LEU A 90 19.399 37.063 21.889 1.00 28.60 C ATOM 693 CD1 LEU A 90 20.307 38.400 22.264 1.00 37.50 C ATOM 694 CD2 LEU A 90 19.936 35.846 22.520 1.00 29.94 C ATOM 0 H LEU A 90 17.194 35.980 19.979 1.00 22.28 H new ATOM 0 HA LEU A 90 17.423 35.067 22.472 1.00 19.43 H new ATOM 0 HB2 LEU A 90 17.504 37.838 21.751 1.00 20.38 H new ATOM 0 HB3 LEU A 90 17.826 37.311 23.183 1.00 20.38 H new ATOM 0 HG LEU A 90 19.466 37.059 20.921 1.00 28.60 H new ATOM 0 HD11 LEU A 90 21.227 38.252 21.995 1.00 37.50 H new ATOM 0 HD12 LEU A 90 19.954 39.173 21.796 1.00 37.50 H new ATOM 0 HD13 LEU A 90 20.272 38.558 23.220 1.00 37.50 H new ATOM 0 HD21 LEU A 90 20.884 35.774 22.329 1.00 29.94 H new ATOM 0 HD22 LEU A 90 19.802 35.893 23.480 1.00 29.94 H new ATOM 0 HD23 LEU A 90 19.476 35.068 22.168 1.00 29.94 H new ATOM 695 N LYS A 91 14.719 36.239 21.574 1.00 26.92 N ATOM 696 CA LYS A 91 13.289 36.291 21.886 1.00 35.62 C ATOM 697 C LYS A 91 12.568 34.876 22.212 1.00 30.48 C ATOM 698 O LYS A 91 11.718 34.664 23.145 1.00 35.16 O ATOM 699 CB LYS A 91 12.539 36.817 20.694 1.00 28.53 C ATOM 700 CG LYS A 91 13.022 38.321 20.383 1.00 33.56 C ATOM 701 CD LYS A 91 11.827 39.105 20.203 0.00 0.00 C ATOM 702 CE LYS A 91 12.309 40.612 19.901 0.00 0.00 C ATOM 703 NZ LYS A 91 13.032 40.753 18.619 0.00 0.00 N ATOM 0 H LYS A 91 14.934 36.506 20.785 1.00 26.92 H new ATOM 0 HA LYS A 91 13.257 36.844 22.683 1.00 35.62 H new ATOM 0 HB2 LYS A 91 12.697 36.250 19.923 1.00 28.53 H new ATOM 0 HB3 LYS A 91 11.585 36.802 20.867 1.00 28.53 H new ATOM 0 HG2 LYS A 91 13.557 38.670 21.113 1.00 33.56 H new ATOM 0 HG3 LYS A 91 13.576 38.348 19.587 1.00 33.56 H new ATOM 0 HD2 LYS A 91 11.295 38.759 19.469 0.00 0.00 H new ATOM 0 HD3 LYS A 91 11.271 39.073 20.997 0.00 0.00 H new ATOM 0 HE2 LYS A 91 11.535 41.196 19.894 0.00 0.00 H new ATOM 0 HE3 LYS A 91 12.884 40.911 20.623 0.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.273 41.602 18.506 0.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.758 40.238 18.629 0.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.501 40.504 17.950 0.00 0.00 H new ATOM 704 N ASN A 92 12.969 33.946 21.465 1.00 15.45 N ATOM 705 CA ASN A 92 12.407 32.527 21.615 1.00 20.51 C ATOM 706 C ASN A 92 12.960 31.916 22.851 1.00 22.85 C ATOM 707 O ASN A 92 12.147 31.169 23.595 1.00 27.27 O ATOM 708 CB ASN A 92 12.685 31.722 20.368 1.00 23.78 C ATOM 709 CG ASN A 92 11.943 30.280 20.540 1.00 51.38 C ATOM 710 OD1 ASN A 92 10.671 30.093 20.613 1.00 52.65 O ATOM 711 ND2 ASN A 92 12.695 29.447 21.070 1.00 49.42 N ATOM 0 H ASN A 92 13.559 34.038 20.847 1.00 15.45 H new ATOM 0 HA ASN A 92 11.442 32.547 21.711 1.00 20.51 H new ATOM 0 HB2 ASN A 92 12.354 32.185 19.582 1.00 23.78 H new ATOM 0 HB3 ASN A 92 13.640 31.602 20.245 1.00 23.78 H new ATOM 0 HD21 ASN A 92 12.363 28.764 21.474 1.00 49.42 H new ATOM 0 HD22 ASN A 92 13.548 29.553 21.033 1.00 49.42 H new ATOM 712 N LEU A 93 14.250 32.372 23.133 1.00 20.37 N ATOM 713 CA LEU A 93 14.872 31.974 24.380 1.00 17.51 C ATOM 714 C LEU A 93 14.151 32.397 25.606 1.00 14.08 C ATOM 715 O LEU A 93 13.890 31.574 26.551 1.00 22.18 O ATOM 716 CB LEU A 93 16.386 32.535 24.540 1.00 13.45 C ATOM 717 CG LEU A 93 17.294 31.688 23.784 1.00 28.48 C ATOM 718 CD1 LEU A 93 18.790 32.121 24.164 1.00 32.83 C ATOM 719 CD2 LEU A 93 16.840 30.165 24.028 1.00 37.04 C ATOM 0 H LEU A 93 14.722 32.879 22.624 1.00 20.37 H new ATOM 0 HA LEU A 93 14.853 31.007 24.311 1.00 17.51 H new ATOM 0 HB2 LEU A 93 16.439 33.449 24.221 1.00 13.45 H new ATOM 0 HB3 LEU A 93 16.641 32.546 25.476 1.00 13.45 H new ATOM 0 HG LEU A 93 17.266 31.788 22.820 1.00 28.48 H new ATOM 0 HD11 LEU A 93 19.421 31.571 23.673 1.00 32.83 H new ATOM 0 HD12 LEU A 93 18.926 33.053 23.933 1.00 32.83 H new ATOM 0 HD13 LEU A 93 18.930 32.001 25.116 1.00 32.83 H new ATOM 0 HD21 LEU A 93 17.427 29.569 23.536 1.00 37.04 H new ATOM 0 HD22 LEU A 93 16.891 29.960 24.975 1.00 37.04 H new ATOM 0 HD23 LEU A 93 15.928 30.046 23.721 1.00 37.04 H new ATOM 720 N GLY A 94 13.748 33.582 25.515 1.00 18.49 N ATOM 721 CA GLY A 94 12.984 34.116 26.588 1.00 13.69 C ATOM 722 C GLY A 94 11.659 33.182 26.862 1.00 18.11 C ATOM 723 O GLY A 94 11.295 32.879 28.040 1.00 26.70 O ATOM 0 H GLY A 94 13.892 34.112 24.853 1.00 18.49 H new ATOM 0 HA2 GLY A 94 13.528 34.161 27.390 1.00 13.69 H new ATOM 0 HA3 GLY A 94 12.711 35.023 26.379 1.00 13.69 H new ATOM 724 N SER A 95 11.020 32.675 25.784 1.00 26.36 N ATOM 725 CA SER A 95 9.742 31.738 25.873 1.00 29.62 C ATOM 726 C SER A 95 9.912 30.385 26.500 1.00 25.93 C ATOM 727 O SER A 95 9.134 29.901 27.428 1.00 31.04 O ATOM 728 CB SER A 95 9.108 31.491 24.477 1.00 29.50 C ATOM 729 OG SER A 95 7.908 30.506 24.579 1.00 50.33 O ATOM 0 H SER A 95 11.272 32.832 24.977 1.00 26.36 H new ATOM 0 HA SER A 95 9.178 32.258 26.467 1.00 29.62 H new ATOM 0 HB2 SER A 95 8.809 32.333 24.100 1.00 29.50 H new ATOM 0 HB3 SER A 95 9.776 31.131 23.873 1.00 29.50 H new ATOM 0 HG SER A 95 7.578 30.386 23.816 1.00 50.33 H new ATOM 730 N VAL A 96 10.891 29.801 25.988 1.00 16.97 N ATOM 731 CA VAL A 96 11.144 28.479 26.477 1.00 6.61 C ATOM 732 C VAL A 96 11.559 28.488 27.945 1.00 24.65 C ATOM 733 O VAL A 96 11.071 27.512 28.680 1.00 21.80 O ATOM 734 CB VAL A 96 12.085 27.787 25.562 1.00 16.65 C ATOM 735 CG1 VAL A 96 13.246 28.757 24.925 1.00 43.93 C ATOM 736 CG2 VAL A 96 12.629 26.591 26.235 1.00 30.87 C ATOM 0 H VAL A 96 11.420 30.106 25.382 1.00 16.97 H new ATOM 0 HA VAL A 96 10.325 27.960 26.472 1.00 6.61 H new ATOM 0 HB VAL A 96 11.582 27.505 24.782 1.00 16.65 H new ATOM 0 HG11 VAL A 96 13.819 28.236 24.341 1.00 43.93 H new ATOM 0 HG12 VAL A 96 12.829 29.470 24.416 1.00 43.93 H new ATOM 0 HG13 VAL A 96 13.777 29.139 25.641 1.00 43.93 H new ATOM 0 HG21 VAL A 96 13.245 26.136 25.639 1.00 30.87 H new ATOM 0 HG22 VAL A 96 13.098 26.858 27.041 1.00 30.87 H new ATOM 0 HG23 VAL A 96 11.903 25.992 26.467 1.00 30.87 H new ATOM 737 N HIS A 97 12.226 29.634 28.411 1.00 15.56 N ATOM 738 CA HIS A 97 12.580 29.744 29.836 1.00 11.66 C ATOM 739 C HIS A 97 11.381 29.802 30.753 1.00 12.05 C ATOM 740 O HIS A 97 11.240 29.080 31.790 1.00 22.92 O ATOM 741 CB HIS A 97 13.723 30.923 30.132 1.00 16.17 C ATOM 742 CG HIS A 97 15.058 30.553 29.594 1.00 16.56 C ATOM 743 ND1 HIS A 97 15.662 31.127 28.427 1.00 26.34 N ATOM 744 CD2 HIS A 97 15.785 29.644 30.057 1.00 8.93 C ATOM 745 CE1 HIS A 97 16.815 30.538 28.168 1.00 14.51 C ATOM 746 NE2 HIS A 97 16.887 29.609 29.200 1.00 4.41 N ATOM 0 H HIS A 97 12.456 30.303 27.922 1.00 15.56 H new ATOM 0 HA HIS A 97 13.015 28.908 30.065 1.00 11.66 H new ATOM 0 HB2 HIS A 97 13.435 31.759 29.733 1.00 16.17 H new ATOM 0 HB3 HIS A 97 13.791 31.074 31.088 1.00 16.17 H new ATOM 0 HD1 HIS A 97 15.321 31.765 27.961 1.00 26.34 H new ATOM 0 HD2 HIS A 97 15.627 29.112 30.803 1.00 8.93 H new ATOM 0 HE1 HIS A 97 17.418 30.701 27.479 1.00 14.51 H new ATOM 747 N VAL A 98 10.513 30.560 30.321 1.00 15.57 N ATOM 748 CA VAL A 98 9.277 30.650 31.075 1.00 10.21 C ATOM 749 C VAL A 98 8.400 29.264 31.186 1.00 14.97 C ATOM 750 O VAL A 98 7.981 28.825 32.315 1.00 21.48 O ATOM 751 CB VAL A 98 8.484 31.677 30.410 1.00 8.80 C ATOM 752 CG1 VAL A 98 7.083 31.667 31.046 1.00 25.28 C ATOM 753 CG2 VAL A 98 9.303 33.104 30.492 1.00 14.92 C ATOM 0 H VAL A 98 10.567 31.044 29.612 1.00 15.57 H new ATOM 0 HA VAL A 98 9.505 30.853 31.996 1.00 10.21 H new ATOM 0 HB VAL A 98 8.350 31.517 29.463 1.00 8.80 H new ATOM 0 HG11 VAL A 98 6.530 32.342 30.623 1.00 25.28 H new ATOM 0 HG12 VAL A 98 6.678 30.794 30.923 1.00 25.28 H new ATOM 0 HG13 VAL A 98 7.156 31.858 31.994 1.00 25.28 H new ATOM 0 HG21 VAL A 98 8.788 33.799 30.053 1.00 14.92 H new ATOM 0 HG22 VAL A 98 9.443 33.344 31.421 1.00 14.92 H new ATOM 0 HG23 VAL A 98 10.161 33.011 30.050 1.00 14.92 H new ATOM 754 N SER A 99 8.312 28.543 30.076 1.00 24.38 N ATOM 755 CA SER A 99 7.565 27.157 30.001 1.00 24.47 C ATOM 756 C SER A 99 8.127 26.175 30.927 1.00 30.55 C ATOM 757 O SER A 99 7.353 25.165 31.373 1.00 33.58 O ATOM 758 CB SER A 99 7.576 26.593 28.572 1.00 18.50 C ATOM 759 OG SER A 99 6.950 27.432 27.680 1.00 50.79 O ATOM 0 H SER A 99 8.658 28.789 29.328 1.00 24.38 H new ATOM 0 HA SER A 99 6.647 27.326 30.265 1.00 24.47 H new ATOM 0 HB2 SER A 99 8.493 26.449 28.290 1.00 18.50 H new ATOM 0 HB3 SER A 99 7.137 25.728 28.564 1.00 18.50 H new ATOM 0 HG SER A 99 6.976 27.094 26.911 1.00 50.79 H new ATOM 760 N LYS A 100 9.434 26.430 31.152 1.00 22.48 N ATOM 761 CA LYS A 100 10.096 25.494 31.952 1.00 11.91 C ATOM 762 C LYS A 100 10.167 25.837 33.435 1.00 14.63 C ATOM 763 O LYS A 100 10.749 25.131 34.217 1.00 31.16 O ATOM 764 CB LYS A 100 11.541 25.444 31.450 1.00 24.38 C ATOM 765 CG LYS A 100 11.555 24.785 30.064 1.00 36.60 C ATOM 766 CD LYS A 100 10.834 23.308 30.066 1.00 48.83 C ATOM 767 CE LYS A 100 10.963 22.618 28.706 1.00 45.01 C ATOM 768 NZ LYS A 100 10.345 21.188 28.769 0.00 0.00 N ATOM 0 H LYS A 100 9.892 27.096 30.859 1.00 22.48 H new ATOM 0 HA LYS A 100 9.598 24.664 31.882 1.00 11.91 H new ATOM 0 HB2 LYS A 100 11.912 26.339 31.401 1.00 24.38 H new ATOM 0 HB3 LYS A 100 12.095 24.941 32.068 1.00 24.38 H new ATOM 0 HG2 LYS A 100 11.102 25.362 29.429 1.00 36.60 H new ATOM 0 HG3 LYS A 100 12.472 24.694 29.761 1.00 36.60 H new ATOM 0 HD2 LYS A 100 11.236 22.752 30.752 1.00 48.83 H new ATOM 0 HD3 LYS A 100 9.896 23.405 30.293 1.00 48.83 H new ATOM 0 HE2 LYS A 100 10.513 23.143 28.025 1.00 45.01 H new ATOM 0 HE3 LYS A 100 11.897 22.563 28.451 1.00 45.01 H new ATOM 0 HZ1 LYS A 100 10.424 20.795 27.975 0.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.773 20.706 29.382 0.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.484 21.246 28.986 0.00 0.00 H new ATOM 769 N GLY A 101 9.578 26.862 33.805 1.00 20.93 N ATOM 770 CA GLY A 101 9.565 27.283 35.209 1.00 18.90 C ATOM 771 C GLY A 101 10.931 28.012 35.700 1.00 22.40 C ATOM 772 O GLY A 101 11.207 28.046 36.928 1.00 20.49 O ATOM 0 H GLY A 101 9.147 27.384 33.275 1.00 20.93 H new ATOM 0 HA2 GLY A 101 8.820 27.888 35.347 1.00 18.90 H new ATOM 0 HA3 GLY A 101 9.407 26.506 35.767 1.00 18.90 H new ATOM 773 N VAL A 102 11.713 28.667 34.779 1.00 20.12 N ATOM 774 CA VAL A 102 12.984 29.541 35.121 1.00 8.46 C ATOM 775 C VAL A 102 12.705 30.943 35.510 1.00 13.28 C ATOM 776 O VAL A 102 11.849 31.466 34.855 1.00 20.99 O ATOM 777 CB VAL A 102 13.949 29.637 33.912 1.00 12.07 C ATOM 778 CG1 VAL A 102 15.301 30.584 34.150 1.00 7.10 C ATOM 779 CG2 VAL A 102 14.177 28.219 33.459 1.00 12.20 C ATOM 0 H VAL A 102 11.548 28.637 33.935 1.00 20.12 H new ATOM 0 HA VAL A 102 13.366 29.071 35.879 1.00 8.46 H new ATOM 0 HB VAL A 102 13.553 30.145 33.187 1.00 12.07 H new ATOM 0 HG11 VAL A 102 15.842 30.584 33.345 1.00 7.10 H new ATOM 0 HG12 VAL A 102 15.028 31.492 34.356 1.00 7.10 H new ATOM 0 HG13 VAL A 102 15.820 30.228 34.888 1.00 7.10 H new ATOM 0 HG21 VAL A 102 14.778 28.215 32.698 1.00 12.20 H new ATOM 0 HG22 VAL A 102 14.569 27.707 34.183 1.00 12.20 H new ATOM 0 HG23 VAL A 102 13.330 27.821 33.203 1.00 12.20 H new ATOM 780 N ALA A 103 13.288 31.478 36.604 1.00 11.54 N ATOM 781 CA ALA A 103 13.138 32.833 37.076 1.00 3.00 C ATOM 782 C ALA A 103 14.510 33.736 37.102 1.00 7.17 C ATOM 783 O ALA A 103 15.556 33.207 36.918 1.00 10.21 O ATOM 784 CB ALA A 103 12.532 32.743 38.490 1.00 8.93 C ATOM 0 H ALA A 103 13.809 31.015 37.107 1.00 11.54 H new ATOM 0 HA ALA A 103 12.569 33.300 36.444 1.00 3.00 H new ATOM 0 HB1 ALA A 103 12.413 33.636 38.849 1.00 8.93 H new ATOM 0 HB2 ALA A 103 11.673 32.295 38.446 1.00 8.93 H new ATOM 0 HB3 ALA A 103 13.129 32.240 39.067 1.00 8.93 H new ATOM 785 N ASP A 104 14.498 35.048 37.223 1.00 11.85 N ATOM 786 CA ASP A 104 15.744 36.043 37.249 1.00 14.50 C ATOM 787 C ASP A 104 16.780 35.674 38.245 1.00 22.85 C ATOM 788 O ASP A 104 18.020 35.996 38.004 1.00 22.47 O ATOM 789 CB ASP A 104 15.442 37.455 37.637 1.00 20.66 C ATOM 790 CG ASP A 104 14.605 37.981 36.540 1.00 38.49 C ATOM 791 OD1 ASP A 104 14.386 39.184 36.584 1.00 45.20 O ATOM 792 OD2 ASP A 104 14.445 37.352 35.452 1.00 43.33 O ATOM 0 H ASP A 104 13.755 35.474 37.301 1.00 11.85 H new ATOM 0 HA ASP A 104 16.032 35.971 36.326 1.00 14.50 H new ATOM 0 HB2 ASP A 104 14.974 37.494 38.486 1.00 20.66 H new ATOM 0 HB3 ASP A 104 16.256 37.973 37.738 1.00 20.66 H new ATOM 793 N ALA A 105 16.279 35.100 39.361 1.00 13.25 N ATOM 794 CA ALA A 105 17.162 34.801 40.460 1.00 11.76 C ATOM 795 C ALA A 105 17.943 33.646 40.150 1.00 10.66 C ATOM 796 O ALA A 105 18.957 33.501 40.843 1.00 17.83 O ATOM 797 CB ALA A 105 16.371 34.520 41.779 1.00 6.14 C ATOM 0 H ALA A 105 15.454 34.889 39.481 1.00 13.25 H new ATOM 0 HA ALA A 105 17.730 35.576 40.595 1.00 11.76 H new ATOM 0 HB1 ALA A 105 16.995 34.323 42.495 1.00 6.14 H new ATOM 0 HB2 ALA A 105 15.846 35.301 42.014 1.00 6.14 H new ATOM 0 HB3 ALA A 105 15.781 33.761 41.647 1.00 6.14 H new ATOM 798 N HIS A 106 17.555 32.910 39.085 1.00 15.53 N ATOM 799 CA HIS A 106 18.303 31.825 38.662 1.00 12.60 C ATOM 800 C HIS A 106 19.639 32.372 37.987 1.00 20.91 C ATOM 801 O HIS A 106 20.564 31.655 37.955 1.00 15.11 O ATOM 802 CB HIS A 106 17.490 30.833 37.673 1.00 11.50 C ATOM 803 CG HIS A 106 16.406 29.792 38.355 1.00 9.82 C ATOM 804 ND1 HIS A 106 15.023 29.835 38.191 1.00 14.79 N ATOM 805 CD2 HIS A 106 16.558 28.732 39.132 1.00 12.81 C ATOM 806 CE1 HIS A 106 14.297 28.748 38.912 1.00 15.41 C ATOM 807 NE2 HIS A 106 15.269 28.057 39.505 1.00 15.65 N ATOM 0 H HIS A 106 16.847 33.063 38.621 1.00 15.53 H new ATOM 0 HA HIS A 106 18.519 31.279 39.434 1.00 12.60 H new ATOM 0 HB2 HIS A 106 17.015 31.379 37.027 1.00 11.50 H new ATOM 0 HB3 HIS A 106 18.138 30.308 37.178 1.00 11.50 H new ATOM 0 HD2 HIS A 106 17.389 28.431 39.422 1.00 12.81 H new ATOM 0 HE1 HIS A 106 13.381 28.590 38.940 1.00 15.41 H new ATOM 0 HE2 HIS A 106 15.177 27.362 40.003 1.00 15.65 H new ATOM 808 N PHE A 107 19.650 33.507 37.319 1.00 17.09 N ATOM 809 CA PHE A 107 20.828 34.129 36.523 1.00 23.42 C ATOM 810 C PHE A 107 22.209 34.300 37.216 1.00 15.19 C ATOM 811 O PHE A 107 23.189 33.938 36.604 1.00 9.26 O ATOM 812 CB PHE A 107 20.593 35.413 35.753 1.00 21.32 C ATOM 813 CG PHE A 107 19.636 35.048 34.554 1.00 18.37 C ATOM 814 CD1 PHE A 107 18.252 34.843 34.730 1.00 17.49 C ATOM 815 CD2 PHE A 107 20.170 34.887 33.304 1.00 10.22 C ATOM 816 CE1 PHE A 107 17.389 34.462 33.657 1.00 17.29 C ATOM 817 CE2 PHE A 107 19.317 34.505 32.223 1.00 16.16 C ATOM 818 CZ PHE A 107 17.922 34.287 32.402 1.00 14.04 C ATOM 0 H PHE A 107 18.949 34.005 37.285 1.00 17.09 H new ATOM 0 HA PHE A 107 20.863 33.376 35.913 1.00 23.42 H new ATOM 0 HB2 PHE A 107 20.191 36.088 36.322 1.00 21.32 H new ATOM 0 HB3 PHE A 107 21.430 35.778 35.427 1.00 21.32 H new ATOM 0 HD1 PHE A 107 17.887 34.960 35.577 1.00 17.49 H new ATOM 0 HD2 PHE A 107 21.078 35.025 33.160 1.00 10.22 H new ATOM 0 HE1 PHE A 107 16.480 34.334 33.805 1.00 17.29 H new ATOM 0 HE2 PHE A 107 19.685 34.395 31.376 1.00 16.16 H new ATOM 0 HZ PHE A 107 17.384 34.032 31.687 1.00 14.04 H new ATOM 819 N PRO A 108 22.337 34.776 38.451 1.00 12.25 N ATOM 820 CA PRO A 108 23.638 34.875 39.153 1.00 6.47 C ATOM 821 C PRO A 108 24.125 33.516 39.356 1.00 12.08 C ATOM 822 O PRO A 108 25.375 33.493 39.451 1.00 13.61 O ATOM 823 CB PRO A 108 23.493 35.581 40.500 1.00 14.35 C ATOM 824 CG PRO A 108 22.142 36.121 40.450 1.00 4.17 C ATOM 825 CD PRO A 108 21.387 35.478 39.218 1.00 3.00 C ATOM 0 HA PRO A 108 24.259 35.397 38.621 1.00 6.47 H new ATOM 0 HB2 PRO A 108 23.605 34.965 41.241 1.00 14.35 H new ATOM 0 HB3 PRO A 108 24.155 36.281 40.610 1.00 14.35 H new ATOM 0 HG2 PRO A 108 21.670 35.924 41.274 1.00 4.17 H new ATOM 0 HG3 PRO A 108 22.168 37.087 40.362 1.00 4.17 H new ATOM 0 HD2 PRO A 108 20.687 34.880 39.523 1.00 3.00 H new ATOM 0 HD3 PRO A 108 20.960 36.166 38.684 1.00 3.00 H new ATOM 826 N VAL A 109 23.186 32.418 39.338 1.00 12.85 N ATOM 827 CA VAL A 109 23.539 31.046 39.480 1.00 6.84 C ATOM 828 C VAL A 109 24.331 30.648 38.287 1.00 18.92 C ATOM 829 O VAL A 109 25.437 30.219 38.463 1.00 13.05 O ATOM 830 CB VAL A 109 22.281 29.953 39.685 1.00 13.26 C ATOM 831 CG1 VAL A 109 22.621 28.500 39.636 1.00 10.50 C ATOM 832 CG2 VAL A 109 21.499 30.195 40.965 1.00 10.15 C ATOM 0 H VAL A 109 22.340 32.538 39.238 1.00 12.85 H new ATOM 0 HA VAL A 109 24.034 30.998 40.313 1.00 6.84 H new ATOM 0 HB VAL A 109 21.750 30.140 38.895 1.00 13.26 H new ATOM 0 HG11 VAL A 109 21.816 27.975 39.767 1.00 10.50 H new ATOM 0 HG12 VAL A 109 23.009 28.287 38.773 1.00 10.50 H new ATOM 0 HG13 VAL A 109 23.259 28.293 40.337 1.00 10.50 H new ATOM 0 HG21 VAL A 109 20.786 29.541 41.038 1.00 10.15 H new ATOM 0 HG22 VAL A 109 22.093 30.112 41.728 1.00 10.15 H new ATOM 0 HG23 VAL A 109 21.118 31.087 40.948 1.00 10.15 H new ATOM 833 N VAL A 110 23.779 30.811 37.116 1.00 13.44 N ATOM 834 CA VAL A 110 24.435 30.452 35.883 1.00 17.32 C ATOM 835 C VAL A 110 25.743 31.419 35.611 1.00 9.61 C ATOM 836 O VAL A 110 26.762 30.957 35.195 1.00 9.24 O ATOM 837 CB VAL A 110 23.441 30.327 34.685 1.00 15.17 C ATOM 838 CG1 VAL A 110 24.125 30.192 33.319 1.00 5.68 C ATOM 839 CG2 VAL A 110 22.282 29.140 34.894 1.00 5.82 C ATOM 0 H VAL A 110 22.993 31.141 37.007 1.00 13.44 H new ATOM 0 HA VAL A 110 24.790 29.554 35.975 1.00 17.32 H new ATOM 0 HB VAL A 110 22.979 31.180 34.683 1.00 15.17 H new ATOM 0 HG11 VAL A 110 23.451 30.119 32.625 1.00 5.68 H new ATOM 0 HG12 VAL A 110 24.675 30.973 33.154 1.00 5.68 H new ATOM 0 HG13 VAL A 110 24.682 29.398 33.313 1.00 5.68 H new ATOM 0 HG21 VAL A 110 21.700 29.115 34.118 1.00 5.82 H new ATOM 0 HG22 VAL A 110 22.716 28.279 35.000 1.00 5.82 H new ATOM 0 HG23 VAL A 110 21.757 29.336 35.685 1.00 5.82 H new ATOM 840 N LYS A 111 25.774 32.671 36.037 1.00 11.44 N ATOM 841 CA LYS A 111 27.004 33.684 35.937 1.00 5.44 C ATOM 842 C LYS A 111 28.214 33.256 36.659 1.00 9.61 C ATOM 843 O LYS A 111 29.287 33.182 36.023 1.00 6.21 O ATOM 844 CB LYS A 111 26.715 35.038 36.512 1.00 6.48 C ATOM 845 CG LYS A 111 27.904 36.206 36.357 1.00 14.80 C ATOM 846 CD LYS A 111 27.467 37.515 36.886 1.00 10.15 C ATOM 847 CE LYS A 111 28.593 38.742 36.807 1.00 24.07 C ATOM 848 NZ LYS A 111 28.024 39.945 37.224 1.00 33.77 N ATOM 0 H LYS A 111 25.091 33.031 36.415 1.00 11.44 H new ATOM 0 HA LYS A 111 27.149 33.706 34.978 1.00 5.44 H new ATOM 0 HB2 LYS A 111 25.907 35.375 36.095 1.00 6.48 H new ATOM 0 HB3 LYS A 111 26.523 34.929 37.456 1.00 6.48 H new ATOM 0 HG2 LYS A 111 28.702 35.918 36.827 1.00 14.80 H new ATOM 0 HG3 LYS A 111 28.144 36.300 35.422 1.00 14.80 H new ATOM 0 HD2 LYS A 111 26.675 37.794 36.399 1.00 10.15 H new ATOM 0 HD3 LYS A 111 27.204 37.399 37.813 1.00 10.15 H new ATOM 0 HE2 LYS A 111 29.356 38.526 37.366 1.00 24.07 H new ATOM 0 HE3 LYS A 111 28.922 38.830 35.899 1.00 24.07 H new ATOM 0 HZ1 LYS A 111 28.655 40.570 37.275 1.00 33.77 H new ATOM 0 HZ2 LYS A 111 27.403 40.198 36.639 1.00 33.77 H new ATOM 0 HZ3 LYS A 111 27.650 39.835 38.024 1.00 33.77 H new ATOM 849 N GLU A 112 28.016 32.939 37.937 1.00 7.88 N ATOM 850 CA GLU A 112 29.100 32.515 38.742 1.00 10.35 C ATOM 851 C GLU A 112 29.525 31.217 38.228 1.00 8.75 C ATOM 852 O GLU A 112 30.758 31.113 38.188 1.00 9.12 O ATOM 853 CB GLU A 112 28.743 32.356 40.236 1.00 4.38 C ATOM 854 CG GLU A 112 28.482 33.703 40.854 1.00 16.53 C ATOM 855 CD GLU A 112 29.680 34.800 40.540 1.00 26.38 C ATOM 856 OE1 GLU A 112 30.854 34.669 40.910 1.00 18.74 O ATOM 857 OE2 GLU A 112 29.474 35.920 40.085 1.00 18.64 O ATOM 0 H GLU A 112 27.255 32.970 38.337 1.00 7.88 H new ATOM 0 HA GLU A 112 29.792 33.194 38.697 1.00 10.35 H new ATOM 0 HB2 GLU A 112 27.959 31.792 40.330 1.00 4.38 H new ATOM 0 HB3 GLU A 112 29.469 31.913 40.703 1.00 4.38 H new ATOM 0 HG2 GLU A 112 27.639 34.048 40.521 1.00 16.53 H new ATOM 0 HG3 GLU A 112 28.388 33.600 41.814 1.00 16.53 H new ATOM 858 N ALA A 113 28.547 30.343 37.720 1.00 13.08 N ATOM 859 CA ALA A 113 28.834 29.062 37.182 1.00 3.42 C ATOM 860 C ALA A 113 29.712 29.246 35.929 1.00 4.55 C ATOM 861 O ALA A 113 30.686 28.596 35.833 1.00 5.34 O ATOM 862 CB ALA A 113 27.510 28.088 36.924 1.00 6.28 C ATOM 0 H ALA A 113 27.710 30.538 37.707 1.00 13.08 H new ATOM 0 HA ALA A 113 29.323 28.563 37.855 1.00 3.42 H new ATOM 0 HB1 ALA A 113 27.800 27.238 36.557 1.00 6.28 H new ATOM 0 HB2 ALA A 113 27.050 27.937 37.765 1.00 6.28 H new ATOM 0 HB3 ALA A 113 26.907 28.520 36.299 1.00 6.28 H new ATOM 863 N ILE A 114 29.459 30.196 35.083 1.00 19.11 N ATOM 864 CA ILE A 114 30.279 30.556 33.871 1.00 8.08 C ATOM 865 C ILE A 114 31.706 31.242 34.219 1.00 8.09 C ATOM 866 O ILE A 114 32.705 30.862 33.654 1.00 10.33 O ATOM 867 CB ILE A 114 29.604 31.477 32.921 1.00 3.00 C ATOM 868 CG1 ILE A 114 28.306 30.702 32.288 1.00 3.39 C ATOM 869 CG2 ILE A 114 30.586 32.143 31.833 1.00 4.68 C ATOM 870 CD1 ILE A 114 27.627 31.593 31.327 1.00 13.11 C ATOM 0 H ILE A 114 28.770 30.703 35.170 1.00 19.11 H new ATOM 0 HA ILE A 114 30.407 29.686 33.461 1.00 8.08 H new ATOM 0 HB ILE A 114 29.291 32.257 33.406 1.00 3.00 H new ATOM 0 HG12 ILE A 114 28.588 29.886 31.845 1.00 3.39 H new ATOM 0 HG13 ILE A 114 27.694 30.444 32.995 1.00 3.39 H new ATOM 0 HG21 ILE A 114 30.076 32.728 31.252 1.00 4.68 H new ATOM 0 HG22 ILE A 114 31.272 32.657 32.287 1.00 4.68 H new ATOM 0 HG23 ILE A 114 31.003 31.446 31.304 1.00 4.68 H new ATOM 0 HD11 ILE A 114 26.858 31.137 30.950 1.00 13.11 H new ATOM 0 HD12 ILE A 114 27.334 32.398 31.783 1.00 13.11 H new ATOM 0 HD13 ILE A 114 28.242 31.831 30.615 1.00 13.11 H new ATOM 871 N LEU A 115 31.794 32.159 35.179 1.00 8.08 N ATOM 872 CA LEU A 115 33.114 32.887 35.592 1.00 6.13 C ATOM 873 C LEU A 115 34.006 31.935 36.177 1.00 9.43 C ATOM 874 O LEU A 115 35.200 31.987 35.767 1.00 12.47 O ATOM 875 CB LEU A 115 32.982 34.039 36.589 1.00 12.31 C ATOM 876 CG LEU A 115 32.341 35.203 35.958 1.00 16.07 C ATOM 877 CD1 LEU A 115 32.124 36.285 37.001 1.00 13.35 C ATOM 878 CD2 LEU A 115 33.148 35.850 34.745 1.00 10.07 C ATOM 0 H LEU A 115 31.113 32.411 35.640 1.00 8.08 H new ATOM 0 HA LEU A 115 33.433 33.280 34.764 1.00 6.13 H new ATOM 0 HB2 LEU A 115 32.460 33.752 37.354 1.00 12.31 H new ATOM 0 HB3 LEU A 115 33.859 34.287 36.921 1.00 12.31 H new ATOM 0 HG LEU A 115 31.511 34.863 35.589 1.00 16.07 H new ATOM 0 HD11 LEU A 115 31.701 37.054 36.587 1.00 13.35 H new ATOM 0 HD12 LEU A 115 31.553 35.944 37.707 1.00 13.35 H new ATOM 0 HD13 LEU A 115 32.979 36.549 37.376 1.00 13.35 H new ATOM 0 HD21 LEU A 115 32.653 36.606 34.393 1.00 10.07 H new ATOM 0 HD22 LEU A 115 34.016 36.149 35.057 1.00 10.07 H new ATOM 0 HD23 LEU A 115 33.267 35.188 34.046 1.00 10.07 H new ATOM 879 N LYS A 116 33.397 31.023 37.014 1.00 12.51 N ATOM 880 CA LYS A 116 34.127 30.023 37.635 1.00 3.00 C ATOM 881 C LYS A 116 34.516 29.001 36.635 1.00 11.35 C ATOM 882 O LYS A 116 35.662 28.644 36.729 1.00 11.89 O ATOM 883 CB LYS A 116 33.335 29.299 38.822 1.00 8.47 C ATOM 884 CG LYS A 116 33.117 30.306 39.943 1.00 44.55 C ATOM 885 CD LYS A 116 32.292 29.628 41.133 1.00 47.08 C ATOM 886 CE LYS A 116 32.013 30.671 42.194 1.00 48.53 C ATOM 887 NZ LYS A 116 31.282 29.984 43.337 0.00 0.00 N ATOM 0 H LYS A 116 32.556 31.019 37.195 1.00 12.51 H new ATOM 0 HA LYS A 116 34.904 30.453 38.025 1.00 3.00 H new ATOM 0 HB2 LYS A 116 32.484 28.961 38.502 1.00 8.47 H new ATOM 0 HB3 LYS A 116 33.839 28.536 39.147 1.00 8.47 H new ATOM 0 HG2 LYS A 116 33.972 30.625 40.272 1.00 44.55 H new ATOM 0 HG3 LYS A 116 32.637 31.078 39.605 1.00 44.55 H new ATOM 0 HD2 LYS A 116 31.460 29.261 40.797 1.00 47.08 H new ATOM 0 HD3 LYS A 116 32.795 28.890 41.512 1.00 47.08 H new ATOM 0 HE2 LYS A 116 32.841 31.066 42.508 1.00 48.53 H new ATOM 0 HE3 LYS A 116 31.475 31.391 41.830 1.00 48.53 H new ATOM 0 HZ1 LYS A 116 31.106 30.578 43.976 0.00 0.00 H new ATOM 0 HZ2 LYS A 116 30.520 29.637 43.036 0.00 0.00 H new ATOM 0 HZ3 LYS A 116 31.792 29.335 43.668 0.00 0.00 H new ATOM 888 N THR A 117 33.656 28.654 35.639 1.00 11.55 N ATOM 889 CA THR A 117 33.976 27.743 34.570 1.00 9.06 C ATOM 890 C THR A 117 35.181 28.387 33.737 1.00 12.54 C ATOM 891 O THR A 117 36.135 27.737 33.514 1.00 20.30 O ATOM 892 CB THR A 117 32.770 27.278 33.622 1.00 14.28 C ATOM 893 OG1 THR A 117 31.662 26.532 34.336 1.00 7.19 O ATOM 894 CG2 THR A 117 33.146 26.386 32.463 1.00 11.50 C ATOM 0 H THR A 117 32.856 28.965 35.589 1.00 11.55 H new ATOM 0 HA THR A 117 34.226 26.904 34.987 1.00 9.06 H new ATOM 0 HB THR A 117 32.475 28.144 33.300 1.00 14.28 H new ATOM 0 HG1 THR A 117 31.258 27.057 34.853 1.00 7.19 H new ATOM 0 HG21 THR A 117 32.350 26.163 31.955 1.00 11.50 H new ATOM 0 HG22 THR A 117 33.776 26.849 31.889 1.00 11.50 H new ATOM 0 HG23 THR A 117 33.553 25.572 32.799 1.00 11.50 H new ATOM 895 N ILE A 118 35.135 29.623 33.305 1.00 17.62 N ATOM 896 CA ILE A 118 36.235 30.349 32.492 1.00 11.17 C ATOM 897 C ILE A 118 37.565 30.564 33.265 1.00 16.07 C ATOM 898 O ILE A 118 38.641 30.377 32.699 1.00 11.94 O ATOM 899 CB ILE A 118 35.881 31.709 31.982 1.00 10.02 C ATOM 900 CG1 ILE A 118 34.738 31.462 30.938 1.00 10.00 C ATOM 901 CG2 ILE A 118 37.123 32.634 31.410 1.00 12.76 C ATOM 902 CD1 ILE A 118 35.145 30.662 29.724 1.00 13.50 C ATOM 0 H ILE A 118 34.456 30.128 33.456 1.00 17.62 H new ATOM 0 HA ILE A 118 36.333 29.724 31.757 1.00 11.17 H new ATOM 0 HB ILE A 118 35.595 32.267 32.722 1.00 10.02 H new ATOM 0 HG12 ILE A 118 34.007 31.003 31.381 1.00 10.00 H new ATOM 0 HG13 ILE A 118 34.396 32.321 30.643 1.00 10.00 H new ATOM 0 HG21 ILE A 118 36.778 33.489 31.108 1.00 12.76 H new ATOM 0 HG22 ILE A 118 37.771 32.779 32.117 1.00 12.76 H new ATOM 0 HG23 ILE A 118 37.551 32.178 30.668 1.00 12.76 H new ATOM 0 HD11 ILE A 118 34.382 30.557 29.134 1.00 13.50 H new ATOM 0 HD12 ILE A 118 35.855 31.126 29.254 1.00 13.50 H new ATOM 0 HD13 ILE A 118 35.460 29.788 30.003 1.00 13.50 H new ATOM 903 N LYS A 119 37.443 30.707 34.565 1.00 10.52 N ATOM 904 CA LYS A 119 38.639 30.844 35.428 1.00 17.92 C ATOM 905 C LYS A 119 39.274 29.556 35.457 1.00 15.08 C ATOM 906 O LYS A 119 40.522 29.608 35.261 1.00 15.06 O ATOM 907 CB LYS A 119 38.312 31.269 36.860 1.00 22.84 C ATOM 908 CG LYS A 119 39.607 31.634 37.702 1.00 25.44 C ATOM 909 CD LYS A 119 39.326 32.055 39.145 1.00 31.33 C ATOM 910 CE LYS A 119 38.586 33.290 39.217 0.00 0.00 C ATOM 911 NZ LYS A 119 38.543 33.762 40.606 0.00 0.00 N ATOM 0 H LYS A 119 36.692 30.730 34.983 1.00 10.52 H new ATOM 0 HA LYS A 119 39.206 31.540 35.062 1.00 17.92 H new ATOM 0 HB2 LYS A 119 37.718 32.036 36.838 1.00 22.84 H new ATOM 0 HB3 LYS A 119 37.833 30.552 37.305 1.00 22.84 H new ATOM 0 HG2 LYS A 119 40.201 30.867 37.710 1.00 25.44 H new ATOM 0 HG3 LYS A 119 40.079 32.353 37.253 1.00 25.44 H new ATOM 0 HD2 LYS A 119 38.827 31.354 39.593 1.00 31.33 H new ATOM 0 HD3 LYS A 119 40.166 32.155 39.621 1.00 31.33 H new ATOM 0 HE2 LYS A 119 39.002 33.960 38.652 0.00 0.00 H new ATOM 0 HE3 LYS A 119 37.685 33.157 38.884 0.00 0.00 H new ATOM 0 HZ1 LYS A 119 38.086 34.524 40.647 0.00 0.00 H new ATOM 0 HZ2 LYS A 119 38.145 33.150 41.115 0.00 0.00 H new ATOM 0 HZ3 LYS A 119 39.372 33.898 40.899 0.00 0.00 H new ATOM 912 N GLU A 120 38.409 28.430 35.440 1.00 11.81 N ATOM 913 CA GLU A 120 38.903 27.131 35.347 1.00 14.22 C ATOM 914 C GLU A 120 39.419 26.824 33.965 1.00 19.74 C ATOM 915 O GLU A 120 40.457 26.266 33.875 1.00 22.93 O ATOM 916 CB GLU A 120 37.843 25.958 35.847 1.00 13.00 C ATOM 917 CG GLU A 120 37.496 26.170 37.322 1.00 37.75 C ATOM 918 CD GLU A 120 36.409 25.013 37.756 1.00 47.50 C ATOM 919 OE1 GLU A 120 35.899 25.029 38.903 1.00 41.67 O ATOM 920 OE2 GLU A 120 36.269 23.924 37.109 1.00 32.79 O ATOM 0 H GLU A 120 37.552 28.482 35.485 1.00 11.81 H new ATOM 0 HA GLU A 120 39.645 27.107 35.972 1.00 14.22 H new ATOM 0 HB2 GLU A 120 37.037 25.988 35.309 1.00 13.00 H new ATOM 0 HB3 GLU A 120 38.236 25.080 35.721 1.00 13.00 H new ATOM 0 HG2 GLU A 120 38.294 26.110 37.871 1.00 37.75 H new ATOM 0 HG3 GLU A 120 37.123 27.055 37.460 1.00 37.75 H new ATOM 921 N VAL A 121 38.786 27.259 32.941 1.00 19.44 N ATOM 922 CA VAL A 121 39.229 27.076 31.564 1.00 7.66 C ATOM 923 C VAL A 121 40.654 27.817 31.275 1.00 11.42 C ATOM 924 O VAL A 121 41.479 27.198 30.680 1.00 17.05 O ATOM 925 CB VAL A 121 38.193 27.469 30.545 1.00 12.33 C ATOM 926 CG1 VAL A 121 38.735 27.613 29.101 1.00 8.87 C ATOM 927 CG2 VAL A 121 36.844 26.484 30.609 1.00 15.41 C ATOM 0 H VAL A 121 38.047 27.694 33.004 1.00 19.44 H new ATOM 0 HA VAL A 121 39.364 26.121 31.461 1.00 7.66 H new ATOM 0 HB VAL A 121 37.920 28.364 30.801 1.00 12.33 H new ATOM 0 HG11 VAL A 121 38.011 27.867 28.507 1.00 8.87 H new ATOM 0 HG12 VAL A 121 39.424 28.296 29.080 1.00 8.87 H new ATOM 0 HG13 VAL A 121 39.110 26.767 28.810 1.00 8.87 H new ATOM 0 HG21 VAL A 121 36.203 26.769 29.939 1.00 15.41 H new ATOM 0 HG22 VAL A 121 37.105 25.566 30.436 1.00 15.41 H new ATOM 0 HG23 VAL A 121 36.440 26.545 31.489 1.00 15.41 H new ATOM 928 N VAL A 122 40.922 29.109 31.590 1.00 14.43 N ATOM 929 CA VAL A 122 42.200 29.933 31.161 1.00 3.40 C ATOM 930 C VAL A 122 43.382 29.820 32.087 1.00 13.58 C ATOM 931 O VAL A 122 44.579 30.154 31.682 1.00 18.66 O ATOM 932 CB VAL A 122 42.039 31.427 30.973 1.00 5.12 C ATOM 933 CG1 VAL A 122 41.012 31.577 29.858 1.00 12.27 C ATOM 934 CG2 VAL A 122 41.649 32.072 32.285 1.00 7.65 C ATOM 0 H VAL A 122 40.380 29.576 32.067 1.00 14.43 H new ATOM 0 HA VAL A 122 42.346 29.496 30.307 1.00 3.40 H new ATOM 0 HB VAL A 122 42.855 31.884 30.717 1.00 5.12 H new ATOM 0 HG11 VAL A 122 40.859 32.519 29.683 1.00 12.27 H new ATOM 0 HG12 VAL A 122 41.343 31.149 29.053 1.00 12.27 H new ATOM 0 HG13 VAL A 122 40.179 31.159 30.127 1.00 12.27 H new ATOM 0 HG21 VAL A 122 41.547 33.028 32.158 1.00 7.65 H new ATOM 0 HG22 VAL A 122 40.810 31.696 32.594 1.00 7.65 H new ATOM 0 HG23 VAL A 122 42.340 31.905 32.946 1.00 7.65 H new ATOM 935 N GLY A 123 43.025 29.302 33.267 1.00 15.87 N ATOM 936 CA GLY A 123 44.000 29.123 34.316 1.00 16.36 C ATOM 937 C GLY A 123 44.969 30.418 34.641 1.00 20.69 C ATOM 938 O GLY A 123 44.520 31.449 35.055 1.00 20.47 O ATOM 0 H GLY A 123 42.227 29.053 33.468 1.00 15.87 H new ATOM 0 HA2 GLY A 123 43.531 28.882 35.130 1.00 16.36 H new ATOM 0 HA3 GLY A 123 44.566 28.371 34.081 1.00 16.36 H new ATOM 939 N ALA A 124 46.261 30.325 34.517 1.00 21.72 N ATOM 940 CA ALA A 124 47.361 31.411 34.891 1.00 18.55 C ATOM 941 C ALA A 124 47.405 32.680 34.046 1.00 15.99 C ATOM 942 O ALA A 124 48.144 33.751 34.411 1.00 22.11 O ATOM 943 CB ALA A 124 48.747 30.930 34.799 1.00 13.52 C ATOM 0 H ALA A 124 46.621 29.611 34.199 1.00 21.72 H new ATOM 0 HA ALA A 124 47.064 31.600 35.795 1.00 18.55 H new ATOM 0 HB1 ALA A 124 49.355 31.646 35.041 1.00 13.52 H new ATOM 0 HB2 ALA A 124 48.871 30.182 35.405 1.00 13.52 H new ATOM 0 HB3 ALA A 124 48.931 30.644 33.891 1.00 13.52 H new ATOM 944 N LYS A 125 46.615 32.564 32.983 1.00 12.69 N ATOM 945 CA LYS A 125 46.526 33.733 32.122 1.00 23.05 C ATOM 946 C LYS A 125 45.472 34.558 32.617 1.00 15.87 C ATOM 947 O LYS A 125 45.197 35.528 31.930 1.00 16.51 O ATOM 948 CB LYS A 125 46.209 33.313 30.662 1.00 21.32 C ATOM 949 CG LYS A 125 47.279 32.525 30.074 1.00 33.16 C ATOM 950 CD LYS A 125 47.132 32.335 28.548 1.00 28.57 C ATOM 951 CE LYS A 125 45.743 31.556 28.134 1.00 37.99 C ATOM 952 NZ LYS A 125 45.544 30.163 28.655 1.00 35.03 N ATOM 0 H LYS A 125 46.155 31.874 32.755 1.00 12.69 H new ATOM 0 HA LYS A 125 47.371 34.209 32.124 1.00 23.05 H new ATOM 0 HB2 LYS A 125 45.386 32.801 30.646 1.00 21.32 H new ATOM 0 HB3 LYS A 125 46.060 34.106 30.124 1.00 21.32 H new ATOM 0 HG2 LYS A 125 48.128 32.955 30.259 1.00 33.16 H new ATOM 0 HG3 LYS A 125 47.303 31.654 30.501 1.00 33.16 H new ATOM 0 HD2 LYS A 125 47.153 33.203 28.115 1.00 28.57 H new ATOM 0 HD3 LYS A 125 47.892 31.833 28.214 1.00 28.57 H new ATOM 0 HE2 LYS A 125 44.996 32.097 28.435 1.00 37.99 H new ATOM 0 HE3 LYS A 125 45.697 31.522 27.166 1.00 37.99 H new ATOM 0 HZ1 LYS A 125 44.673 29.992 28.720 1.00 35.03 H new ATOM 0 HZ2 LYS A 125 45.920 29.581 28.097 1.00 35.03 H new ATOM 0 HZ3 LYS A 125 45.921 30.089 29.458 1.00 35.03 H new ATOM 953 N TRP A 126 44.843 34.133 33.733 1.00 11.69 N ATOM 954 CA TRP A 126 43.760 34.824 34.250 1.00 17.71 C ATOM 955 C TRP A 126 44.315 36.263 34.694 1.00 17.60 C ATOM 956 O TRP A 126 45.453 36.500 35.252 1.00 17.89 O ATOM 957 CB TRP A 126 42.999 34.013 35.409 1.00 11.88 C ATOM 958 CG TRP A 126 41.682 34.540 35.792 1.00 22.79 C ATOM 959 CD1 TRP A 126 40.462 34.310 35.192 1.00 24.31 C ATOM 960 CD2 TRP A 126 41.528 35.394 36.866 1.00 20.42 C ATOM 961 NE1 TRP A 126 39.549 35.002 35.883 1.00 29.03 N ATOM 962 CE2 TRP A 126 40.176 35.628 36.858 1.00 14.68 C ATOM 963 CE3 TRP A 126 42.447 35.976 37.810 1.00 25.33 C ATOM 964 CZ2 TRP A 126 39.688 36.448 37.789 1.00 36.54 C ATOM 965 CZ3 TRP A 126 41.956 36.811 38.742 1.00 37.05 C ATOM 966 CH2 TRP A 126 40.619 37.039 38.733 1.00 39.33 C ATOM 0 H TRP A 126 45.067 33.432 34.177 1.00 11.69 H new ATOM 0 HA TRP A 126 43.063 34.938 33.585 1.00 17.71 H new ATOM 0 HB2 TRP A 126 42.890 33.093 35.120 1.00 11.88 H new ATOM 0 HB3 TRP A 126 43.565 33.998 36.196 1.00 11.88 H new ATOM 0 HD1 TRP A 126 40.304 33.775 34.448 1.00 24.31 H new ATOM 0 HE1 TRP A 126 38.705 35.033 35.720 1.00 29.03 H new ATOM 0 HE3 TRP A 126 43.355 35.779 37.776 1.00 25.33 H new ATOM 0 HZ2 TRP A 126 38.778 36.636 37.832 1.00 36.54 H new ATOM 0 HZ3 TRP A 126 42.511 37.216 39.368 1.00 37.05 H new ATOM 0 HH2 TRP A 126 40.274 37.615 39.377 1.00 39.33 H new ATOM 967 N SER A 127 43.594 37.207 34.367 1.00 12.70 N ATOM 968 CA SER A 127 43.969 38.617 34.793 1.00 17.26 C ATOM 969 C SER A 127 42.732 39.223 35.219 1.00 15.83 C ATOM 970 O SER A 127 41.581 38.681 34.827 1.00 11.39 O ATOM 971 CB SER A 127 44.666 39.483 33.648 1.00 8.96 C ATOM 972 OG SER A 127 43.667 39.706 32.683 1.00 15.90 O ATOM 0 H SER A 127 42.873 37.140 33.904 1.00 12.70 H new ATOM 0 HA SER A 127 44.637 38.582 35.495 1.00 17.26 H new ATOM 0 HB2 SER A 127 45.004 40.321 34.001 1.00 8.96 H new ATOM 0 HB3 SER A 127 45.422 39.011 33.265 1.00 8.96 H new ATOM 0 HG SER A 127 43.712 39.113 32.090 1.00 15.90 H new ATOM 973 N GLU A 128 42.975 40.360 35.899 1.00 12.04 N ATOM 974 CA GLU A 128 41.891 41.126 36.257 1.00 13.55 C ATOM 975 C GLU A 128 41.222 41.636 35.032 1.00 8.01 C ATOM 976 O GLU A 128 39.975 41.677 35.048 1.00 17.49 O ATOM 977 CB GLU A 128 42.435 42.357 37.130 1.00 23.89 C ATOM 978 CG GLU A 128 42.943 41.934 38.495 1.00 56.92 C ATOM 979 CD GLU A 128 43.400 43.208 39.318 0.00 0.00 C ATOM 980 OE1 GLU A 128 44.400 43.255 40.088 0.00 0.00 O ATOM 981 OE2 GLU A 128 42.616 44.066 39.458 0.00 0.00 O ATOM 0 H GLU A 128 43.748 40.656 36.133 1.00 12.04 H new ATOM 0 HA GLU A 128 41.252 40.604 36.767 1.00 13.55 H new ATOM 0 HB2 GLU A 128 43.150 42.799 36.647 1.00 23.89 H new ATOM 0 HB3 GLU A 128 41.724 43.007 37.242 1.00 23.89 H new ATOM 0 HG2 GLU A 128 42.246 41.461 38.976 1.00 56.92 H new ATOM 0 HG3 GLU A 128 43.687 41.319 38.396 1.00 56.92 H new ATOM 982 N GLU A 129 42.051 42.071 34.045 1.00 8.79 N ATOM 983 CA GLU A 129 41.587 42.612 32.798 1.00 7.62 C ATOM 984 C GLU A 129 40.567 41.551 32.093 1.00 11.87 C ATOM 985 O GLU A 129 39.572 41.874 31.472 1.00 18.21 O ATOM 986 CB GLU A 129 42.812 42.999 31.866 1.00 7.25 C ATOM 987 CG GLU A 129 42.460 43.759 30.604 1.00 24.25 C ATOM 988 CD GLU A 129 42.487 45.252 30.929 1.00 36.04 C ATOM 989 OE1 GLU A 129 43.191 46.123 30.212 1.00 41.58 O ATOM 990 OE2 GLU A 129 41.627 45.616 31.713 1.00 39.48 O ATOM 0 H GLU A 129 42.908 42.047 34.110 1.00 8.79 H new ATOM 0 HA GLU A 129 41.095 43.433 32.956 1.00 7.62 H new ATOM 0 HB2 GLU A 129 43.435 43.533 32.383 1.00 7.25 H new ATOM 0 HB3 GLU A 129 43.277 42.185 31.615 1.00 7.25 H new ATOM 0 HG2 GLU A 129 43.092 43.554 29.897 1.00 24.25 H new ATOM 0 HG3 GLU A 129 41.582 43.497 30.284 1.00 24.25 H new ATOM 991 N LEU A 130 40.830 40.315 32.205 1.00 18.56 N ATOM 992 CA LEU A 130 39.965 39.163 31.592 1.00 21.08 C ATOM 993 C LEU A 130 38.630 38.847 32.347 1.00 11.31 C ATOM 994 O LEU A 130 37.526 38.693 31.724 1.00 17.27 O ATOM 995 CB LEU A 130 40.711 37.926 31.615 1.00 16.61 C ATOM 996 CG LEU A 130 39.895 36.645 30.987 1.00 16.42 C ATOM 997 CD1 LEU A 130 39.534 36.865 29.515 1.00 24.73 C ATOM 998 CD2 LEU A 130 40.637 35.418 31.147 1.00 12.46 C ATOM 0 H LEU A 130 41.517 40.027 32.635 1.00 18.56 H new ATOM 0 HA LEU A 130 39.749 39.485 30.703 1.00 21.08 H new ATOM 0 HB2 LEU A 130 41.536 38.047 31.120 1.00 16.61 H new ATOM 0 HB3 LEU A 130 40.957 37.724 32.531 1.00 16.61 H new ATOM 0 HG LEU A 130 39.067 36.567 31.487 1.00 16.42 H new ATOM 0 HD11 LEU A 130 39.055 36.091 29.180 1.00 24.73 H new ATOM 0 HD12 LEU A 130 38.973 37.652 29.433 1.00 24.73 H new ATOM 0 HD13 LEU A 130 40.345 36.991 28.998 1.00 24.73 H new ATOM 0 HD21 LEU A 130 40.131 34.682 30.768 1.00 12.46 H new ATOM 0 HD22 LEU A 130 41.489 35.493 30.690 1.00 12.46 H new ATOM 0 HD23 LEU A 130 40.790 35.253 32.091 1.00 12.46 H new ATOM 999 N ASN A 131 38.756 38.884 33.657 1.00 18.26 N ATOM 1000 CA ASN A 131 37.594 38.690 34.561 1.00 9.29 C ATOM 1001 C ASN A 131 36.686 39.751 34.318 1.00 9.27 C ATOM 1002 O ASN A 131 35.434 39.396 34.184 1.00 17.73 O ATOM 1003 CB ASN A 131 38.087 38.818 36.021 1.00 11.30 C ATOM 1004 CG ASN A 131 36.862 38.539 36.943 1.00 25.26 C ATOM 1005 OD1 ASN A 131 36.448 39.493 37.555 1.00 32.54 O ATOM 1006 ND2 ASN A 131 36.236 37.284 36.930 1.00 18.88 N ATOM 0 H ASN A 131 39.502 39.020 34.063 1.00 18.26 H new ATOM 0 HA ASN A 131 37.180 37.825 34.414 1.00 9.29 H new ATOM 0 HB2 ASN A 131 38.801 38.186 36.199 1.00 11.30 H new ATOM 0 HB3 ASN A 131 38.445 39.704 36.186 1.00 11.30 H new ATOM 0 HD21 ASN A 131 35.512 37.160 37.377 1.00 18.88 H new ATOM 0 HD22 ASN A 131 36.576 36.638 36.475 1.00 18.88 H new ATOM 1007 N SER A 132 37.323 41.003 34.181 1.00 8.23 N ATOM 1008 CA SER A 132 36.571 42.127 33.939 1.00 6.55 C ATOM 1009 C SER A 132 35.840 42.012 32.599 1.00 7.45 C ATOM 1010 O SER A 132 34.667 42.307 32.516 1.00 13.59 O ATOM 1011 CB SER A 132 37.492 43.507 34.025 1.00 4.62 C ATOM 1012 OG ASER A 132 38.376 43.724 32.890 0.33 15.51 O ATOM 1013 OG BSER A 132 38.185 43.616 35.279 0.33 3.00 O ATOM 1014 OG CSER A 132 36.914 44.477 33.244 0.33 9.92 O ATOM 0 H SER A 132 38.171 41.133 34.237 1.00 8.23 H new ATOM 0 HA SER A 132 35.899 42.194 34.636 1.00 6.55 H new ATOM 0 HB2ASER A 132 36.900 44.271 34.108 0.33 4.62 H new ATOM 0 HB2BSER A 132 38.136 43.511 33.299 0.33 4.62 H new ATOM 0 HB2CSER A 132 37.556 43.811 34.944 0.33 4.62 H new ATOM 0 HB3ASER A 132 38.027 43.474 34.833 0.33 4.62 H new ATOM 0 HB3BSER A 132 36.923 44.283 33.903 0.33 4.62 H new ATOM 0 HB3CSER A 132 38.396 43.327 33.722 0.33 4.62 H new ATOM 0 HG ASER A 132 38.532 42.990 32.512 0.33 9.92 H new ATOM 0 HG BSER A 132 38.878 43.142 35.259 0.33 9.92 H new ATOM 0 HG CSER A 132 37.374 45.179 33.283 0.33 9.92 H new ATOM 1015 N ALA A 133 36.518 41.581 31.601 1.00 13.39 N ATOM 1016 CA ALA A 133 35.959 41.435 30.242 1.00 17.68 C ATOM 1017 C ALA A 133 34.673 40.391 30.147 1.00 14.50 C ATOM 1018 O ALA A 133 33.613 40.719 29.652 1.00 14.23 O ATOM 1019 CB ALA A 133 37.027 41.065 29.261 1.00 12.91 C ATOM 0 H ALA A 133 37.344 41.349 31.660 1.00 13.39 H new ATOM 0 HA ALA A 133 35.603 42.307 30.009 1.00 17.68 H new ATOM 0 HB1 ALA A 133 36.638 40.975 28.377 1.00 12.91 H new ATOM 0 HB2 ALA A 133 37.706 41.757 29.245 1.00 12.91 H new ATOM 0 HB3 ALA A 133 37.430 40.223 29.524 1.00 12.91 H new ATOM 1020 N TRP A 134 34.750 39.204 30.702 1.00 15.85 N ATOM 1021 CA TRP A 134 33.577 38.120 30.757 1.00 13.26 C ATOM 1022 C TRP A 134 32.432 38.505 31.607 1.00 21.32 C ATOM 1023 O TRP A 134 31.226 38.089 31.270 1.00 14.72 O ATOM 1024 CB TRP A 134 33.950 36.781 31.289 1.00 3.00 C ATOM 1025 CG TRP A 134 34.604 35.964 30.231 1.00 7.85 C ATOM 1026 CD1 TRP A 134 35.924 35.944 29.984 1.00 11.37 C ATOM 1027 CD2 TRP A 134 33.906 35.037 29.329 1.00 7.95 C ATOM 1028 NE1 TRP A 134 36.057 35.025 28.940 1.00 5.68 N ATOM 1029 CE2 TRP A 134 34.875 34.499 28.563 1.00 7.59 C ATOM 1030 CE3 TRP A 134 32.533 34.632 29.131 1.00 21.98 C ATOM 1031 CZ2 TRP A 134 34.524 33.544 27.570 1.00 5.71 C ATOM 1032 CZ3 TRP A 134 32.177 33.675 28.127 1.00 7.35 C ATOM 1033 CH2 TRP A 134 33.142 33.149 27.368 1.00 14.98 C ATOM 0 H TRP A 134 35.469 38.929 31.085 1.00 15.85 H new ATOM 0 HA TRP A 134 33.357 38.079 29.813 1.00 13.26 H new ATOM 0 HB2 TRP A 134 34.550 36.883 32.044 1.00 3.00 H new ATOM 0 HB3 TRP A 134 33.159 36.324 31.615 1.00 3.00 H new ATOM 0 HD1 TRP A 134 36.594 36.429 30.409 1.00 11.37 H new ATOM 0 HE1 TRP A 134 36.809 34.818 28.578 1.00 5.68 H new ATOM 0 HE3 TRP A 134 31.867 35.000 29.666 1.00 21.98 H new ATOM 0 HZ2 TRP A 134 35.190 33.167 27.042 1.00 5.71 H new ATOM 0 HZ3 TRP A 134 31.290 33.424 28.006 1.00 7.35 H new ATOM 0 HH2 TRP A 134 32.928 32.529 26.709 1.00 14.98 H new ATOM 1034 N THR A 135 32.802 39.315 32.631 1.00 14.38 N ATOM 1035 CA THR A 135 31.794 39.788 33.508 1.00 15.93 C ATOM 1036 C THR A 135 30.982 40.738 32.786 1.00 6.89 C ATOM 1037 O THR A 135 29.713 40.527 32.858 1.00 13.63 O ATOM 1038 CB THR A 135 32.471 40.482 34.768 1.00 12.84 C ATOM 1039 OG1 THR A 135 33.079 39.518 35.521 1.00 10.01 O ATOM 1040 CG2 THR A 135 31.468 41.077 35.673 1.00 15.08 C ATOM 0 H THR A 135 33.604 39.574 32.802 1.00 14.38 H new ATOM 0 HA THR A 135 31.241 39.056 33.822 1.00 15.93 H new ATOM 0 HB THR A 135 33.076 41.159 34.427 1.00 12.84 H new ATOM 0 HG1 THR A 135 33.846 39.366 35.215 1.00 10.01 H new ATOM 0 HG21 THR A 135 31.917 41.490 36.427 1.00 15.08 H new ATOM 0 HG22 THR A 135 30.958 41.749 35.194 1.00 15.08 H new ATOM 0 HG23 THR A 135 30.869 40.384 35.993 1.00 15.08 H new ATOM 1041 N ILE A 136 31.688 41.720 32.081 1.00 4.89 N ATOM 1042 CA ILE A 136 31.019 42.699 31.361 1.00 7.64 C ATOM 1043 C ILE A 136 30.090 41.996 30.284 1.00 3.50 C ATOM 1044 O ILE A 136 28.898 42.236 30.183 1.00 17.94 O ATOM 1045 CB ILE A 136 32.080 43.803 30.723 1.00 11.09 C ATOM 1046 CG1 ILE A 136 33.008 44.578 31.788 1.00 25.96 C ATOM 1047 CG2 ILE A 136 31.431 44.788 29.838 1.00 27.28 C ATOM 1048 CD1 ILE A 136 34.246 45.473 31.164 1.00 25.70 C ATOM 0 H ILE A 136 32.546 41.774 32.052 1.00 4.89 H new ATOM 0 HA ILE A 136 30.444 43.217 31.945 1.00 7.64 H new ATOM 0 HB ILE A 136 32.670 43.237 30.201 1.00 11.09 H new ATOM 0 HG12 ILE A 136 32.443 45.165 32.314 1.00 25.96 H new ATOM 0 HG13 ILE A 136 33.383 43.924 32.398 1.00 25.96 H new ATOM 0 HG21 ILE A 136 32.097 45.405 29.496 1.00 27.28 H new ATOM 0 HG22 ILE A 136 31.007 44.328 29.097 1.00 27.28 H new ATOM 0 HG23 ILE A 136 30.761 45.281 30.338 1.00 27.28 H new ATOM 0 HD11 ILE A 136 34.737 45.894 31.887 1.00 25.70 H new ATOM 0 HD12 ILE A 136 34.842 44.895 30.662 1.00 25.70 H new ATOM 0 HD13 ILE A 136 33.887 46.156 30.576 1.00 25.70 H new ATOM 1049 N ALA A 137 30.629 41.143 29.537 1.00 10.27 N ATOM 1050 CA ALA A 137 29.893 40.447 28.404 1.00 8.64 C ATOM 1051 C ALA A 137 28.586 39.557 28.837 1.00 13.18 C ATOM 1052 O ALA A 137 27.505 39.597 28.203 1.00 9.95 O ATOM 1053 CB ALA A 137 30.798 39.587 27.662 1.00 3.00 C ATOM 0 H ALA A 137 31.449 40.898 29.618 1.00 10.27 H new ATOM 0 HA ALA A 137 29.557 41.180 27.864 1.00 8.64 H new ATOM 0 HB1 ALA A 137 30.314 39.151 26.944 1.00 3.00 H new ATOM 0 HB2 ALA A 137 31.518 40.119 27.289 1.00 3.00 H new ATOM 0 HB3 ALA A 137 31.167 38.916 28.257 1.00 3.00 H new ATOM 1054 N TYR A 138 28.678 38.913 29.978 1.00 10.32 N ATOM 1055 CA TYR A 138 27.499 38.103 30.602 1.00 6.03 C ATOM 1056 C TYR A 138 26.473 38.986 31.059 1.00 9.41 C ATOM 1057 O TYR A 138 25.267 38.693 30.679 1.00 17.85 O ATOM 1058 CB TYR A 138 27.906 37.288 31.800 1.00 5.03 C ATOM 1059 CG TYR A 138 26.681 36.299 32.327 1.00 20.58 C ATOM 1060 CD1 TYR A 138 25.834 36.726 33.271 1.00 17.18 C ATOM 1061 CD2 TYR A 138 26.414 34.997 31.837 1.00 10.99 C ATOM 1062 CE1 TYR A 138 24.715 35.858 33.727 1.00 10.96 C ATOM 1063 CE2 TYR A 138 25.299 34.113 32.301 1.00 12.49 C ATOM 1064 CZ TYR A 138 24.453 34.553 33.248 1.00 7.13 C ATOM 1065 OH TYR A 138 23.321 33.652 33.761 1.00 7.07 O ATOM 0 H TYR A 138 29.395 38.898 30.452 1.00 10.32 H new ATOM 0 HA TYR A 138 27.195 37.514 29.894 1.00 6.03 H new ATOM 0 HB2 TYR A 138 28.681 36.750 31.575 1.00 5.03 H new ATOM 0 HB3 TYR A 138 28.172 37.882 32.519 1.00 5.03 H new ATOM 0 HD1 TYR A 138 25.946 37.570 33.644 1.00 17.18 H new ATOM 0 HD2 TYR A 138 26.976 34.665 31.175 1.00 10.99 H new ATOM 0 HE1 TYR A 138 24.144 36.200 34.377 1.00 10.96 H new ATOM 0 HE2 TYR A 138 25.192 33.264 31.936 1.00 12.49 H new ATOM 0 HH TYR A 138 23.265 33.720 34.596 1.00 7.07 H new ATOM 1066 N ASP A 139 26.945 40.010 31.860 1.00 14.88 N ATOM 1067 CA ASP A 139 26.076 40.948 32.389 1.00 12.93 C ATOM 1068 C ASP A 139 25.297 41.562 31.303 1.00 3.74 C ATOM 1069 O ASP A 139 24.075 41.664 31.481 1.00 10.72 O ATOM 1070 CB ASP A 139 26.919 42.123 33.146 1.00 11.46 C ATOM 1071 CG ASP A 139 27.313 41.576 34.482 1.00 15.57 C ATOM 1072 OD1 ASP A 139 26.696 40.465 34.894 1.00 12.30 O ATOM 1073 OD2 ASP A 139 28.210 42.245 35.194 1.00 19.94 O ATOM 0 H ASP A 139 27.771 40.123 32.070 1.00 14.88 H new ATOM 0 HA ASP A 139 25.486 40.507 33.020 1.00 12.93 H new ATOM 0 HB2 ASP A 139 27.702 42.371 32.631 1.00 11.46 H new ATOM 0 HB3 ASP A 139 26.380 42.923 33.247 1.00 11.46 H new ATOM 1074 N GLU A 140 26.008 42.005 30.245 1.00 4.76 N ATOM 1075 CA GLU A 140 25.380 42.671 29.161 1.00 14.86 C ATOM 1076 C GLU A 140 24.352 41.677 28.393 1.00 16.35 C ATOM 1077 O GLU A 140 23.234 42.011 28.072 1.00 15.80 O ATOM 1078 CB GLU A 140 26.444 43.419 28.196 1.00 9.51 C ATOM 1079 CG GLU A 140 27.387 44.585 28.891 1.00 13.73 C ATOM 1080 CD GLU A 140 26.583 45.624 29.483 1.00 24.52 C ATOM 1081 OE1 GLU A 140 25.579 45.930 28.867 1.00 19.00 O ATOM 1082 OE2 GLU A 140 27.129 46.431 30.361 1.00 22.05 O ATOM 0 H GLU A 140 26.859 41.914 30.164 1.00 4.76 H new ATOM 0 HA GLU A 140 24.837 43.392 29.516 1.00 14.86 H new ATOM 0 HB2 GLU A 140 27.028 42.747 27.811 1.00 9.51 H new ATOM 0 HB3 GLU A 140 25.955 43.823 27.462 1.00 9.51 H new ATOM 0 HG2 GLU A 140 27.953 44.185 29.570 1.00 13.73 H new ATOM 0 HG3 GLU A 140 27.975 44.970 28.222 1.00 13.73 H new ATOM 1083 N LEU A 141 24.697 40.470 28.205 1.00 15.45 N ATOM 1084 CA LEU A 141 23.772 39.400 27.532 1.00 6.24 C ATOM 1085 C LEU A 141 22.521 38.934 28.386 1.00 11.61 C ATOM 1086 O LEU A 141 21.367 38.699 27.860 1.00 17.12 O ATOM 1087 CB LEU A 141 24.489 38.185 27.171 1.00 7.52 C ATOM 1088 CG LEU A 141 23.562 37.069 26.388 1.00 8.47 C ATOM 1089 CD1 LEU A 141 23.032 37.604 25.077 1.00 7.52 C ATOM 1090 CD2 LEU A 141 24.258 35.827 26.133 1.00 4.68 C ATOM 0 H LEU A 141 25.466 40.162 28.437 1.00 15.45 H new ATOM 0 HA LEU A 141 23.454 39.882 26.752 1.00 6.24 H new ATOM 0 HB2 LEU A 141 25.242 38.420 26.607 1.00 7.52 H new ATOM 0 HB3 LEU A 141 24.852 37.783 27.976 1.00 7.52 H new ATOM 0 HG LEU A 141 22.826 36.886 26.992 1.00 8.47 H new ATOM 0 HD11 LEU A 141 22.493 36.924 24.644 1.00 7.52 H new ATOM 0 HD12 LEU A 141 22.488 38.390 25.244 1.00 7.52 H new ATOM 0 HD13 LEU A 141 23.775 37.842 24.501 1.00 7.52 H new ATOM 0 HD21 LEU A 141 23.665 35.212 25.673 1.00 4.68 H new ATOM 0 HD22 LEU A 141 25.037 36.000 25.581 1.00 4.68 H new ATOM 0 HD23 LEU A 141 24.539 35.435 26.974 1.00 4.68 H new ATOM 1091 N ALA A 142 22.741 38.938 29.680 1.00 10.96 N ATOM 1092 CA ALA A 142 21.640 38.534 30.628 1.00 13.67 C ATOM 1093 C ALA A 142 20.672 39.563 30.719 1.00 11.83 C ATOM 1094 O ALA A 142 19.426 39.144 30.815 1.00 13.68 O ATOM 1095 CB ALA A 142 22.180 38.259 32.027 1.00 11.15 C ATOM 0 H ALA A 142 23.484 39.158 30.052 1.00 10.96 H new ATOM 0 HA ALA A 142 21.241 37.723 30.276 1.00 13.67 H new ATOM 0 HB1 ALA A 142 21.450 38.002 32.611 1.00 11.15 H new ATOM 0 HB2 ALA A 142 22.830 37.540 31.988 1.00 11.15 H new ATOM 0 HB3 ALA A 142 22.605 39.059 32.373 1.00 11.15 H new ATOM 1096 N ILE A 143 21.211 40.853 30.619 1.00 14.78 N ATOM 1097 CA ILE A 143 20.330 41.905 30.643 1.00 9.24 C ATOM 1098 C ILE A 143 19.317 41.725 29.491 1.00 16.55 C ATOM 1099 O ILE A 143 18.093 41.811 29.698 1.00 13.26 O ATOM 1100 CB ILE A 143 21.166 43.345 30.602 1.00 6.39 C ATOM 1101 CG1 ILE A 143 21.985 43.682 31.891 1.00 5.40 C ATOM 1102 CG2 ILE A 143 20.286 44.449 30.338 1.00 18.92 C ATOM 1103 CD1 ILE A 143 22.905 45.068 31.779 1.00 18.22 C ATOM 0 H ILE A 143 22.044 41.051 30.544 1.00 14.78 H new ATOM 0 HA ILE A 143 19.819 41.924 31.467 1.00 9.24 H new ATOM 0 HB ILE A 143 21.805 43.216 29.883 1.00 6.39 H new ATOM 0 HG12 ILE A 143 21.371 43.774 32.636 1.00 5.40 H new ATOM 0 HG13 ILE A 143 22.569 42.935 32.095 1.00 5.40 H new ATOM 0 HG21 ILE A 143 20.797 45.273 30.320 1.00 18.92 H new ATOM 0 HG22 ILE A 143 19.852 44.319 29.480 1.00 18.92 H new ATOM 0 HG23 ILE A 143 19.614 44.501 31.036 1.00 18.92 H new ATOM 0 HD11 ILE A 143 23.381 45.209 32.612 1.00 18.22 H new ATOM 0 HD12 ILE A 143 23.543 44.975 31.055 1.00 18.22 H new ATOM 0 HD13 ILE A 143 22.327 45.827 31.605 1.00 18.22 H new ATOM 1104 N VAL A 144 19.805 41.359 28.347 1.00 12.08 N ATOM 1105 CA VAL A 144 18.962 41.138 27.139 1.00 32.50 C ATOM 1106 C VAL A 144 17.874 39.893 27.250 1.00 20.47 C ATOM 1107 O VAL A 144 16.661 39.981 27.003 1.00 19.74 O ATOM 1108 CB VAL A 144 19.838 41.027 25.883 1.00 29.38 C ATOM 1109 CG1 VAL A 144 18.970 40.686 24.622 1.00 21.66 C ATOM 1110 CG2 VAL A 144 20.886 42.312 25.667 1.00 22.99 C ATOM 0 H VAL A 144 20.643 41.221 28.214 1.00 12.08 H new ATOM 0 HA VAL A 144 18.401 41.927 27.069 1.00 32.50 H new ATOM 0 HB VAL A 144 20.437 40.277 26.022 1.00 29.38 H new ATOM 0 HG11 VAL A 144 19.543 40.621 23.842 1.00 21.66 H new ATOM 0 HG12 VAL A 144 18.516 39.840 24.761 1.00 21.66 H new ATOM 0 HG13 VAL A 144 18.313 41.386 24.482 1.00 21.66 H new ATOM 0 HG21 VAL A 144 21.404 42.175 24.859 1.00 22.99 H new ATOM 0 HG22 VAL A 144 20.378 43.135 25.589 1.00 22.99 H new ATOM 0 HG23 VAL A 144 21.484 42.373 26.428 1.00 22.99 H new ATOM 1111 N ILE A 145 18.281 38.800 27.711 1.00 18.67 N ATOM 1112 CA ILE A 145 17.333 37.539 27.869 1.00 18.42 C ATOM 1113 C ILE A 145 16.260 37.621 28.935 1.00 27.80 C ATOM 1114 O ILE A 145 15.037 37.213 28.663 1.00 24.01 O ATOM 1115 CB ILE A 145 18.117 36.362 28.147 1.00 26.55 C ATOM 1116 CG1 ILE A 145 18.955 36.102 26.905 1.00 21.28 C ATOM 1117 CG2 ILE A 145 17.176 35.070 28.594 1.00 19.34 C ATOM 1118 CD1 ILE A 145 19.860 35.016 27.159 1.00 14.37 C ATOM 0 H ILE A 145 19.090 38.664 27.968 1.00 18.67 H new ATOM 0 HA ILE A 145 16.870 37.504 27.017 1.00 18.42 H new ATOM 0 HB ILE A 145 18.696 36.499 28.913 1.00 26.55 H new ATOM 0 HG12 ILE A 145 18.380 35.888 26.154 1.00 21.28 H new ATOM 0 HG13 ILE A 145 19.451 36.900 26.664 1.00 21.28 H new ATOM 0 HG21 ILE A 145 17.742 34.303 28.771 1.00 19.34 H new ATOM 0 HG22 ILE A 145 16.677 35.295 29.395 1.00 19.34 H new ATOM 0 HG23 ILE A 145 16.558 34.857 27.878 1.00 19.34 H new ATOM 0 HD11 ILE A 145 20.395 34.849 26.368 1.00 14.37 H new ATOM 0 HD12 ILE A 145 20.442 35.246 27.900 1.00 14.37 H new ATOM 0 HD13 ILE A 145 19.355 34.219 27.381 1.00 14.37 H new ATOM 1119 N LYS A 146 16.699 38.266 30.038 1.00 13.06 N ATOM 1120 CA LYS A 146 15.797 38.518 31.127 1.00 7.54 C ATOM 1121 C LYS A 146 14.791 39.414 30.663 1.00 17.58 C ATOM 1122 O LYS A 146 13.595 39.191 31.089 1.00 26.65 O ATOM 1123 CB LYS A 146 16.641 39.175 32.315 1.00 13.62 C ATOM 1124 CG LYS A 146 17.161 38.087 33.177 1.00 9.02 C ATOM 1125 CD LYS A 146 18.476 38.608 33.942 1.00 9.43 C ATOM 1126 CE LYS A 146 18.404 39.873 34.791 1.00 31.40 C ATOM 1127 NZ LYS A 146 19.704 40.253 35.486 1.00 34.57 N ATOM 0 H LYS A 146 17.502 38.552 30.153 1.00 13.06 H new ATOM 0 HA LYS A 146 15.374 37.706 31.447 1.00 7.54 H new ATOM 0 HB2 LYS A 146 17.373 39.702 31.958 1.00 13.62 H new ATOM 0 HB3 LYS A 146 16.084 39.778 32.832 1.00 13.62 H new ATOM 0 HG2 LYS A 146 16.486 37.816 33.818 1.00 9.02 H new ATOM 0 HG3 LYS A 146 17.372 37.307 32.641 1.00 9.02 H new ATOM 0 HD2 LYS A 146 18.780 37.889 34.518 1.00 9.43 H new ATOM 0 HD3 LYS A 146 19.165 38.746 33.273 1.00 9.43 H new ATOM 0 HE2 LYS A 146 18.127 40.611 34.226 1.00 31.40 H new ATOM 0 HE3 LYS A 146 17.715 39.757 35.464 1.00 31.40 H new ATOM 0 HZ1 LYS A 146 19.621 41.061 35.850 1.00 34.57 H new ATOM 0 HZ2 LYS A 146 19.886 39.658 36.122 1.00 34.57 H new ATOM 0 HZ3 LYS A 146 20.367 40.263 34.892 1.00 34.57 H new ATOM 1128 N LYS A 147 15.241 40.319 29.742 1.00 18.64 N ATOM 1129 CA LYS A 147 14.333 41.192 29.182 1.00 22.47 C ATOM 1130 C LYS A 147 13.217 40.364 28.364 1.00 14.82 C ATOM 1131 O LYS A 147 12.000 40.520 28.503 1.00 28.32 O ATOM 1132 CB LYS A 147 15.101 42.331 28.305 1.00 29.12 C ATOM 1133 CG LYS A 147 14.192 43.384 27.920 1.00 39.99 C ATOM 1134 CD LYS A 147 14.924 44.548 27.054 0.00 0.00 C ATOM 1135 CE LYS A 147 15.349 44.050 25.685 0.00 0.00 C ATOM 1136 NZ LYS A 147 15.956 45.202 24.862 0.00 0.00 N ATOM 0 H LYS A 147 16.054 40.398 29.473 1.00 18.64 H new ATOM 0 HA LYS A 147 13.858 41.678 29.875 1.00 22.47 H new ATOM 0 HB2 LYS A 147 15.833 42.703 28.821 1.00 29.12 H new ATOM 0 HB3 LYS A 147 15.489 41.928 27.513 1.00 29.12 H new ATOM 0 HG2 LYS A 147 13.465 43.006 27.400 1.00 39.99 H new ATOM 0 HG3 LYS A 147 13.799 43.775 28.716 1.00 39.99 H new ATOM 0 HD2 LYS A 147 14.322 45.302 26.951 0.00 0.00 H new ATOM 0 HD3 LYS A 147 15.701 44.870 27.537 0.00 0.00 H new ATOM 0 HE2 LYS A 147 15.998 43.336 25.781 0.00 0.00 H new ATOM 0 HE3 LYS A 147 14.585 43.678 25.218 0.00 0.00 H new ATOM 0 HZ1 LYS A 147 16.201 44.899 24.062 0.00 0.00 H new ATOM 0 HZ2 LYS A 147 15.350 45.846 24.761 0.00 0.00 H new ATOM 0 HZ3 LYS A 147 16.667 45.527 25.286 0.00 0.00 H new ATOM 1137 N GLU A 148 13.646 39.484 27.564 1.00 15.38 N ATOM 1138 CA GLU A 148 12.713 38.605 26.696 1.00 19.33 C ATOM 1139 C GLU A 148 11.739 37.559 27.467 1.00 30.83 C ATOM 1140 O GLU A 148 10.568 37.183 27.015 1.00 29.37 O ATOM 1141 CB GLU A 148 13.506 37.901 25.668 1.00 6.93 C ATOM 1142 CG GLU A 148 14.418 38.945 24.803 1.00 31.33 C ATOM 1143 CD GLU A 148 13.571 39.945 24.213 1.00 49.46 C ATOM 1144 OE1 GLU A 148 12.606 39.533 23.436 1.00 40.06 O ATOM 1145 OE2 GLU A 148 13.970 41.198 24.316 1.00 45.86 O ATOM 0 H GLU A 148 14.482 39.318 27.451 1.00 15.38 H new ATOM 0 HA GLU A 148 12.093 39.240 26.306 1.00 19.33 H new ATOM 0 HB2 GLU A 148 14.079 37.243 26.093 1.00 6.93 H new ATOM 0 HB3 GLU A 148 12.912 37.418 25.073 1.00 6.93 H new ATOM 0 HG2 GLU A 148 15.079 39.364 25.376 1.00 31.33 H new ATOM 0 HG3 GLU A 148 14.904 38.469 24.111 1.00 31.33 H new ATOM 1146 N MET A 149 12.187 37.199 28.632 1.00 27.41 N ATOM 1147 CA MET A 149 11.352 36.273 29.546 1.00 21.15 C ATOM 1148 C MET A 149 10.213 36.929 30.143 1.00 24.53 C ATOM 1149 O MET A 149 9.027 36.289 30.168 1.00 26.87 O ATOM 1150 CB MET A 149 12.213 35.851 30.704 1.00 21.12 C ATOM 1151 CG MET A 149 13.185 34.882 30.265 1.00 14.67 C ATOM 1152 SD MET A 149 14.303 34.444 31.558 1.00 18.96 S ATOM 1153 CE MET A 149 13.054 33.922 32.830 1.00 19.48 C ATOM 0 H MET A 149 12.945 37.441 28.958 1.00 27.41 H new ATOM 0 HA MET A 149 11.046 35.543 28.986 1.00 21.15 H new ATOM 0 HB2 MET A 149 12.662 36.623 31.082 1.00 21.12 H new ATOM 0 HB3 MET A 149 11.661 35.472 31.406 1.00 21.12 H new ATOM 0 HG2 MET A 149 12.729 34.087 29.949 1.00 14.67 H new ATOM 0 HG3 MET A 149 13.683 35.241 29.514 1.00 14.67 H new ATOM 0 HE1 MET A 149 13.454 33.272 33.428 1.00 19.48 H new ATOM 0 HE2 MET A 149 12.768 34.696 33.339 1.00 19.48 H new ATOM 0 HE3 MET A 149 12.287 33.525 32.387 1.00 19.48 H new ATOM 1154 N ASP A 150 10.579 38.159 30.622 1.00 36.23 N ATOM 1155 CA ASP A 150 9.580 38.912 31.219 1.00 53.78 C ATOM 1156 C ASP A 150 8.522 39.157 30.194 1.00 51.54 C ATOM 1157 O ASP A 150 7.289 39.024 30.506 1.00 48.38 O ATOM 1158 CB ASP A 150 10.257 40.286 31.786 1.00 52.40 C ATOM 1159 CG ASP A 150 10.936 40.059 33.115 1.00 50.34 C ATOM 1160 OD1 ASP A 150 11.326 38.943 33.331 0.00 0.00 O ATOM 1161 OD2 ASP A 150 10.738 40.785 34.099 0.00 0.00 O ATOM 0 H ASP A 150 11.364 38.510 30.590 1.00 36.23 H new ATOM 0 HA ASP A 150 9.164 38.461 31.970 1.00 53.78 H new ATOM 0 HB2 ASP A 150 10.903 40.619 31.144 1.00 52.40 H new ATOM 0 HB3 ASP A 150 9.575 40.969 31.882 1.00 52.40 H new ATOM 1162 N ASP A 151 8.992 39.388 28.979 1.00 43.85 N ATOM 1163 CA ASP A 151 8.074 39.571 27.880 1.00 51.51 C ATOM 1164 C ASP A 151 7.281 38.238 27.391 1.00 59.93 C ATOM 1165 O ASP A 151 6.128 38.217 26.886 1.00 57.15 O ATOM 1166 CB ASP A 151 8.821 40.368 26.713 1.00 54.32 C ATOM 1167 CG ASP A 151 9.049 41.869 27.074 1.00 47.93 C ATOM 1168 OD1 ASP A 151 9.633 42.235 28.156 0.00 0.00 O ATOM 1169 OD2 ASP A 151 8.277 42.612 26.571 0.00 0.00 O ATOM 0 H ASP A 151 9.826 39.441 28.775 1.00 43.85 H new ATOM 0 HA ASP A 151 7.335 40.109 28.204 1.00 51.51 H new ATOM 0 HB2 ASP A 151 9.676 39.947 26.533 1.00 54.32 H new ATOM 0 HB3 ASP A 151 8.298 40.309 25.898 1.00 54.32 H new ATOM 1170 N ALA A 152 7.796 37.147 27.696 1.00 51.33 N ATOM 1171 CA ALA A 152 7.041 35.804 27.380 1.00 49.64 C ATOM 1172 C ALA A 152 6.091 35.258 28.511 1.00 58.15 C ATOM 1173 O ALA A 152 5.374 34.113 28.404 1.00 52.80 O ATOM 1174 CB ALA A 152 8.000 34.781 27.073 1.00 47.26 C ATOM 0 H ALA A 152 8.560 37.056 28.080 1.00 51.33 H new ATOM 0 HA ALA A 152 6.463 36.022 26.632 1.00 49.64 H new ATOM 0 HB1 ALA A 152 7.537 33.951 26.878 1.00 47.26 H new ATOM 0 HB2 ALA A 152 8.523 35.049 26.301 1.00 47.26 H new ATOM 0 HB3 ALA A 152 8.589 34.651 27.833 1.00 47.26 H new ATOM 1175 N ALA A 153 6.133 36.047 29.575 1.00 50.54 N ATOM 1176 CA ALA A 153 5.356 35.638 30.797 1.00 52.60 C ATOM 1177 C ALA A 153 3.936 36.021 30.813 1.00 50.70 C ATOM 1178 O ALA A 153 3.732 37.095 31.375 0.00 0.00 O ATOM 1179 CB ALA A 153 6.142 36.235 32.039 1.00 50.71 C ATOM 1180 OXT ALA A 153 3.003 35.355 30.135 0.00 0.00 O ATOM 0 H ALA A 153 6.570 36.785 29.635 1.00 50.54 H new ATOM 0 HA ALA A 153 5.307 34.669 30.817 1.00 52.60 H new ATOM 0 HB1 ALA A 153 5.680 35.999 32.859 1.00 50.71 H new ATOM 0 HB2 ALA A 153 7.041 35.871 32.059 1.00 50.71 H new ATOM 0 HB3 ALA A 153 6.186 37.201 31.960 1.00 50.71 H new TER 1181 ALA A 153 HETATM 1182 FE HEM A 154 18.627 28.495 29.689 1.00 15.40 FE HETATM 1183 CHA HEM A 154 16.840 26.084 27.673 1.00 16.24 C HETATM 1184 CHB HEM A 154 20.483 29.819 26.849 1.00 18.16 C HETATM 1185 CHC HEM A 154 20.325 31.145 31.497 1.00 13.92 C HETATM 1186 CHD HEM A 154 17.172 27.040 32.427 1.00 20.02 C HETATM 1187 NA HEM A 154 18.659 28.047 27.629 1.00 21.82 N HETATM 1188 C1A HEM A 154 17.802 27.016 27.021 1.00 7.80 C HETATM 1189 C2A HEM A 154 18.122 27.019 25.594 1.00 19.35 C HETATM 1190 C3A HEM A 154 19.164 28.032 25.377 1.00 15.47 C HETATM 1191 C4A HEM A 154 19.494 28.699 26.655 1.00 36.10 C HETATM 1192 CMA HEM A 154 19.901 28.436 24.052 1.00 15.65 C HETATM 1193 CAA HEM A 154 17.453 25.983 24.567 1.00 31.41 C HETATM 1194 CBA HEM A 154 18.347 24.870 24.402 1.00 45.69 C HETATM 1195 CGA HEM A 154 17.732 23.843 23.360 0.00 0.00 C HETATM 1196 O1A HEM A 154 16.830 24.132 22.586 0.00 0.00 O HETATM 1197 O2A HEM A 154 18.328 22.862 23.079 0.00 0.00 O HETATM 1198 NB HEM A 154 20.139 30.196 29.236 1.00 11.49 N HETATM 1199 C1B HEM A 154 20.765 30.526 28.033 1.00 14.44 C HETATM 1200 C2B HEM A 154 21.762 31.740 28.190 1.00 14.22 C HETATM 1201 C3B HEM A 154 21.677 32.162 29.477 1.00 14.28 C HETATM 1202 C4B HEM A 154 20.668 31.161 30.147 1.00 8.69 C HETATM 1203 CMB HEM A 154 22.698 32.369 27.056 1.00 5.06 C HETATM 1204 CAB HEM A 154 22.504 33.404 30.168 1.00 15.53 C HETATM 1205 CBB HEM A 154 22.843 34.577 29.525 1.00 11.54 C HETATM 1206 NC HEM A 154 18.758 28.995 31.605 1.00 13.10 N HETATM 1207 C1C HEM A 154 19.461 30.146 32.175 1.00 15.69 C HETATM 1208 C2C HEM A 154 19.181 30.116 33.610 1.00 18.83 C HETATM 1209 C3C HEM A 154 18.357 28.936 33.878 1.00 21.17 C HETATM 1210 C4C HEM A 154 18.053 28.245 32.605 1.00 22.03 C HETATM 1211 CMC HEM A 154 19.765 31.220 34.612 1.00 12.52 C HETATM 1212 CAC HEM A 154 17.806 28.396 35.244 1.00 17.40 C HETATM 1213 CBC HEM A 154 18.491 27.614 35.965 1.00 3.00 C HETATM 1214 ND HEM A 154 17.263 26.848 29.990 1.00 22.76 N HETATM 1215 C1D HEM A 154 16.781 26.408 31.225 1.00 15.98 C HETATM 1216 C2D HEM A 154 15.776 25.192 31.054 1.00 15.70 C HETATM 1217 C3D HEM A 154 15.673 24.929 29.726 1.00 14.53 C HETATM 1218 C4D HEM A 154 16.604 25.985 29.044 1.00 27.60 C HETATM 1219 CMD HEM A 154 15.001 24.385 32.199 1.00 9.58 C HETATM 1220 CAD HEM A 154 14.792 23.719 29.049 1.00 20.86 C HETATM 1221 CBD HEM A 154 15.632 22.571 28.834 1.00 26.38 C HETATM 1222 CGD HEM A 154 14.702 21.229 28.611 1.00 39.97 C HETATM 1223 O1D HEM A 154 13.948 20.748 29.556 1.00 37.31 O HETATM 1224 O2D HEM A 154 15.054 20.421 27.767 1.00 40.18 O HETATM 0 HMA1 HEM A 154 20.158 29.370 24.096 1.00 15.65 H new HETATM 0 HMA2 HEM A 154 19.308 28.300 23.297 1.00 15.65 H new HETATM 0 HMA3 HEM A 154 20.694 27.888 23.943 1.00 15.65 H new HETATM 0 HMB1 HEM A 154 22.945 31.679 26.420 1.00 5.06 H new HETATM 0 HMB2 HEM A 154 23.499 32.734 27.463 1.00 5.06 H new HETATM 0 HMB3 HEM A 154 22.219 33.076 26.596 1.00 5.06 H new HETATM 0 HMC1 HEM A 154 20.614 31.546 34.275 1.00 12.52 H new HETATM 0 HMC2 HEM A 154 19.896 30.825 35.488 1.00 12.52 H new HETATM 0 HMC3 HEM A 154 19.140 31.958 34.680 1.00 12.52 H new HETATM 0 HMD1 HEM A 154 14.158 24.057 31.850 1.00 9.58 H new HETATM 0 HMD2 HEM A 154 14.832 24.973 32.952 1.00 9.58 H new HETATM 0 HMD3 HEM A 154 15.543 23.636 32.491 1.00 9.58 H new HETATM 0 HBB1 HEM A 154 23.333 35.266 30.000 1.00 11.54 H new HETATM 0 HBB2 HEM A 154 22.591 34.712 28.598 1.00 11.54 H new HETATM 0 HBC1 HEM A 154 18.132 27.291 36.806 1.00 3.00 H new HETATM 0 HBC2 HEM A 154 19.375 27.337 35.676 1.00 3.00 H new HETATM 0 HBA1 HEM A 154 18.493 24.431 25.255 1.00 45.69 H new HETATM 0 HBA2 HEM A 154 19.212 25.181 24.091 1.00 45.69 H new HETATM 0 HAA1 HEM A 154 17.287 26.413 23.713 1.00 31.41 H new HETATM 0 HAA2 HEM A 154 16.595 25.680 24.903 1.00 31.41 H new HETATM 0 HBD1 HEM A 154 16.220 22.444 29.595 1.00 26.38 H new HETATM 0 HBD2 HEM A 154 16.197 22.715 28.059 1.00 26.38 H new HETATM 0 HAD1 HEM A 154 14.412 24.015 28.207 1.00 20.86 H new HETATM 0 HAD2 HEM A 154 14.050 23.484 29.628 1.00 20.86 H new HETATM 0 HHA HEM A 154 16.354 25.519 27.117 1.00 16.24 H new HETATM 0 HHB HEM A 154 20.965 30.074 26.096 1.00 18.16 H new HETATM 0 HHC HEM A 154 20.671 31.827 32.026 1.00 13.92 H new HETATM 0 HHD HEM A 154 16.841 26.661 33.209 1.00 20.02 H new HETATM 0 HAB HEM A 154 22.773 33.305 31.095 1.00 15.53 H new HETATM 0 HAC HEM A 154 16.923 28.667 35.541 1.00 17.40 H new HETATM 1225 O O A 155 20.126 27.393 29.852 1.00 8.74 O HETATM 1226 O HOH A 156 25.935 15.039 29.361 1.00 10.16 O HETATM 1227 O HOH A 157 28.422 16.625 28.868 1.00 13.83 O HETATM 1228 O HOH A 158 23.383 44.826 27.388 1.00 15.94 O HETATM 1229 O HOH A 159 47.330 35.481 36.911 1.00 20.62 O HETATM 1230 O HOH A 160 25.009 36.696 21.846 1.00 22.13 O HETATM 1231 O HOH A 161 26.794 36.422 40.223 1.00 32.68 O HETATM 1232 O HOH A 162 26.478 19.379 41.986 1.00 33.22 O HETATM 1233 O HOH A 163 31.760 50.631 15.113 1.00 24.72 O HETATM 1234 O HOH A 164 29.404 38.956 17.675 1.00 24.83 O HETATM 1235 O HOH A 165 27.839 51.911 19.950 1.00 10.54 O HETATM 1236 O HOH A 166 19.438 45.215 20.170 1.00 27.79 O HETATM 1237 O HOH A 167 21.403 47.599 20.855 1.00 22.40 O HETATM 1238 O HOH A 168 21.999 47.033 23.588 1.00 26.75 O HETATM 1239 O HOH A 169 24.464 46.658 25.206 1.00 25.41 O HETATM 1240 O HOH A 170 21.707 48.174 29.362 1.00 23.35 O HETATM 1241 O HOH A 171 24.506 48.139 29.866 1.00 14.01 O HETATM 1242 O HOH A 172 25.783 47.889 32.356 1.00 18.65 O HETATM 1243 O HOH A 173 15.890 30.408 20.575 1.00 44.08 O HETATM 1244 O HOH A 174 34.257 20.099 22.022 1.00 32.06 O HETATM 1245 O HOH A 175 19.308 19.985 24.088 1.00 47.65 O HETATM 1246 O HOH A 176 30.682 38.593 39.916 1.00 26.38 O HETATM 1247 O HOH A 177 33.219 39.826 38.399 1.00 23.22 O HETATM 1248 O HOH A 178 42.414 26.300 36.194 1.00 49.22 O HETATM 1249 O HOH A 179 29.712 51.285 24.960 1.00 12.09 O HETATM 1250 O HOH A 180 23.340 39.855 17.554 1.00 33.46 O HETATM 1251 O HOH A 181 29.645 25.888 20.236 1.00 52.43 O HETATM 1252 O HOH A 182 40.673 45.433 34.765 1.00 46.43 O HETATM 1253 O HOH A 183 13.436 35.662 40.474 1.00 26.59 O HETATM 1254 O HOH A 184 22.696 41.330 34.064 1.00 27.36 O HETATM 1255 O HOH A 185 13.358 23.742 41.533 1.00 45.50 O HETATM 1256 O HOH A 186 17.128 43.071 31.882 1.00 34.92 O HETATM 1257 O HOH A 187 25.674 38.856 39.351 1.00 41.85 O HETATM 1258 O HOH A 188 17.314 21.521 25.869 1.00 44.16 O HETATM 1259 O HOH A 189 21.273 46.487 27.079 1.00 41.77 O HETATM 1260 O HOH A 190 29.486 44.539 33.735 1.00 39.41 O HETATM 1261 O HOH A 191 38.257 42.019 37.378 1.00 43.15 O HETATM 1262 O HOH A 192 44.010 37.686 30.899 1.00 34.52 O HETATM 1263 O HOH A 193 47.238 27.973 33.513 1.00 47.35 O HETATM 1264 O HOH A 194 38.016 48.982 21.188 1.00 45.64 O HETATM 1265 O HOH A 195 24.982 39.397 21.116 1.00 49.48 O HETATM 1266 O HOH A 196 25.624 23.573 21.036 1.00 36.98 O HETATM 1267 O HOH A 197 31.885 48.672 24.706 1.00 38.56 O HETATM 1268 O HOH A 198 21.782 10.017 34.838 1.00 37.20 O HETATM 1269 O HOH A 199 20.107 9.761 31.604 1.00 35.76 O HETATM 1270 O HOH A 200 18.444 11.822 30.985 1.00 45.25 O HETATM 1271 O HOH A 201 35.657 15.504 26.169 1.00 42.93 O HETATM 1272 O HOH A 202 40.008 23.807 26.783 1.00 41.01 O HETATM 1273 O HOH A 203 42.641 32.642 26.421 1.00 42.24 O HETATM 1274 O HOH A 204 42.194 34.854 19.335 1.00 44.59 O HETATM 1275 O HOH A 205 41.867 37.558 20.246 1.00 48.36 O HETATM 1276 O HOH A 206 42.589 30.844 22.372 1.00 33.87 O HETATM 1277 O HOH A 207 17.123 12.081 43.193 1.00 50.36 O HETATM 1278 O HOH A 208 26.981 38.640 16.143 1.00 41.40 O HETATM 1279 O HOH A 209 29.311 14.915 21.971 1.00 45.67 O HETATM 1280 O HOH A 210 23.309 37.791 37.308 1.00 42.87 O HETATM 1281 O HOH A 211 20.548 38.472 37.687 1.00 37.04 O HETATM 1282 O HOH A 212 36.732 34.780 35.410 1.00 36.75 O HETATM 1283 O HOH A 213 11.673 35.847 37.211 1.00 35.23 O HETATM 1284 O HOH A 214 24.067 39.264 35.007 1.00 39.45 O HETATM 1285 O HOH A 215 30.275 27.135 22.791 1.00 37.22 O HETATM 1286 O HOH A 216 36.105 23.748 33.450 1.00 43.56 O HETATM 1287 O HOH A 217 27.920 51.024 36.225 1.00 37.30 O HETATM 1288 O HOH A 218 22.026 27.424 31.617 1.00 30.64 O HETATM 1289 O HOH A 219 46.523 37.307 29.992 1.00 51.73 O HETATM 1290 O HOH A 220 20.496 15.487 37.372 1.00 49.50 O HETATM 1291 O HOH A 221 45.534 42.464 24.577 1.00 51.37 O HETATM 1292 O HOH A 222 43.651 49.687 24.157 1.00 54.89 O CONECT 746 1182 CONECT 1182 746 1187 1198 1206 CONECT 1182 1214 1225 CONECT 1183 1188 1218 CONECT 1184 1191 1199 CONECT 1185 1202 1207 CONECT 1186 1210 1215 CONECT 1187 1182 1188 1191 CONECT 1188 1183 1187 1189 CONECT 1189 1188 1190 1193 CONECT 1190 1189 1191 1192 CONECT 1191 1184 1187 1190 CONECT 1192 1190 CONECT 1193 1189 1194 CONECT 1194 1193 1195 CONECT 1195 1194 1196 1197 CONECT 1196 1195 CONECT 1197 1195 CONECT 1198 1182 1199 1202 CONECT 1199 1184 1198 1200 CONECT 1200 1199 1201 1203 CONECT 1201 1200 1202 1204 CONECT 1202 1185 1198 1201 CONECT 1203 1200 CONECT 1204 1201 1205 CONECT 1205 1204 CONECT 1206 1182 1207 1210 CONECT 1207 1185 1206 1208 CONECT 1208 1207 1209 1211 CONECT 1209 1208 1210 1212 CONECT 1210 1186 1206 1209 CONECT 1211 1208 CONECT 1212 1209 1213 CONECT 1213 1212 CONECT 1214 1182 1215 1218 CONECT 1215 1186 1214 1216 CONECT 1216 1215 1217 1219 CONECT 1217 1216 1218 1220 CONECT 1218 1183 1214 1217 CONECT 1219 1216 CONECT 1220 1217 1221 CONECT 1221 1220 1222 CONECT 1222 1221 1223 1224 CONECT 1223 1222 CONECT 1224 1222 CONECT 1225 1182 END