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 1LH5 TITLE X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. TITLE 2 STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF TITLE 3 2.0 ANGSTROMS (RUSSIAN) COMPND MOL_ID: 1; COMPND 2 MOLECULE: LEGHEMOGLOBIN (FLUORO MET); COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: LUPINUS LUTEUS; SOURCE 3 ORGANISM_COMMON: YELLOW LUPINE; SOURCE 4 ORGANISM_TAXID: 3873 KEYWDS OXYGEN TRANSPORT EXPDTA X-RAY DIFFRACTION AUTHOR B.K.VAINSHTEIN,E.H.HARUTYUNYAN,I.P.KURANOVA,V.V.BORISOV, AUTHOR 2 N.I.SOSFENOV,A.G.PAVLOVSKY,A.I.GREBENKO,N.V.KONAREVA REVDAT 3 24-FEB-09 1LH5 1 VERSN REVDAT 2 30-SEP-83 1LH5 1 REVDAT REVDAT 1 20-JAN-83 1LH5 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 1LH5 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : NULL REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL REMARK 200 WAVELENGTH OR RANGE (A) : NULL REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : NULL REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 55.18 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.74 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: B 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 X+1/2,Y,Z+1/2 REMARK 290 4555 -X+1/2,-Y,Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 46.67000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 25.95500 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 46.67000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 25.95500 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 CB LEU A 130 LIES ON A SPECIAL POSITION. REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 GLY A 1 O REMARK 480 ALA A 2 CB REMARK 480 LYS A 12 NZ REMARK 480 LYS A 24 CE NZ REMARK 480 LYS A 41 NZ REMARK 480 LYS A 48 CG CD CE NZ REMARK 480 SER A 51 OG REMARK 480 GLU A 52 CG CD OE1 OE2 REMARK 480 LYS A 66 NZ REMARK 480 LYS A 69 NZ REMARK 480 LYS A 91 CD CE NZ REMARK 480 LYS A 100 NZ REMARK 480 LYS A 116 NZ REMARK 480 LYS A 119 CE NZ REMARK 480 GLU A 128 CD OE1 OE2 REMARK 480 LYS A 147 CD CE NZ REMARK 480 ASP A 150 OD1 OD2 REMARK 480 ASP A 151 OD1 OD2 REMARK 480 ALA A 153 O OXT REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 217 DISTANCE = 7.59 ANGSTROMS REMARK 615 REMARK 615 ZERO OCCUPANCY ATOM REMARK 615 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 615 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 615 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 615 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 615 M RES C SSEQI REMARK 615 HEM A 155 REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM A 155 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 F A 154 F REMARK 620 2 HIS A 97 NE2 174.7 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE F A 154 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 155 DBREF 1LH5 A 1 153 UNP P02240 LGB2_LUPLU 1 153 SEQADV 1LH5 GLU A 79 UNP P02240 GLN 79 CONFLICT SEQADV 1LH5 ASP A 150 UNP P02240 ASN 150 CONFLICT SEQRES 1 A 153 GLY ALA LEU THR GLU SER GLN ALA ALA LEU VAL LYS SER SEQRES 2 A 153 SER TRP GLU GLU PHE ASN ALA ASN ILE PRO LYS HIS THR SEQRES 3 A 153 HIS ARG PHE PHE ILE LEU VAL LEU GLU ILE ALA PRO ALA SEQRES 4 A 153 ALA LYS ASP LEU PHE SER PHE LEU LYS GLY THR SER GLU SEQRES 5 A 153 VAL PRO GLN ASN ASN PRO GLU LEU GLN ALA HIS ALA GLY SEQRES 6 A 153 LYS VAL PHE LYS LEU VAL TYR GLU ALA ALA ILE GLN LEU SEQRES 7 A 153 GLU VAL THR GLY VAL VAL VAL THR ASP ALA THR LEU LYS SEQRES 8 A 153 ASN LEU GLY SER VAL HIS VAL SER LYS GLY VAL ALA ASP SEQRES 9 A 153 ALA HIS PHE PRO VAL VAL LYS GLU ALA ILE LEU LYS THR SEQRES 10 A 153 ILE LYS GLU VAL VAL GLY ALA LYS TRP SER GLU GLU LEU SEQRES 11 A 153 ASN SER ALA TRP THR ILE ALA TYR ASP GLU LEU ALA ILE SEQRES 12 A 153 VAL ILE LYS LYS GLU MET ASP ASP ALA ALA HET F A 154 1 HET HEM A 155 43 HETNAM F FLUORIDE ION HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETSYN HEM HEME FORMUL 2 F F 1- FORMUL 3 HEM C34 H32 FE N4 O4 FORMUL 4 HOH *67(H2 O) HELIX 1 A THR A 4 ALA A 20 1 17 HELIX 2 B ASN A 21 ILE A 36 1 16 HELIX 3 C ALA A 37 LEU A 43 1 7 HELIX 4 E ASN A 57 GLY A 82 1 26 HELIX 5 F ALA A 88 GLY A 101 1 14 HELIX 6 G ASP A 104 GLY A 123 1 20 HELIX 7 H SER A 127 ALA A 152 1 26 LINK F F A 154 FE HEM A 155 1555 1555 1.90 LINK NE2 HIS A 97 FE HEM A 155 1555 1555 2.15 SITE *** AC1 4 HIS A 63 VAL A 67 HEM A 155 HOH A 218 SITE *** AC2 13 LEU A 43 PHE A 44 SER A 45 HIS A 63 SITE *** AC2 13 LEU A 93 HIS A 97 LYS A 100 VAL A 102 SITE *** AC2 13 HIS A 106 PHE A 107 VAL A 110 TYR A 138 SITE *** AC2 13 F A 154 CRYST1 93.340 38.240 51.910 90.00 90.00 98.80 B 2 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.010714 0.001659 0.000000 0.00000 SCALE2 0.000000 0.026462 0.000000 0.00000 SCALE3 0.000000 0.000000 0.019264 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 97 HIS HE2 : A 97 HIS NE2 : A 155 HEMFE :(H bumps) USER MOD Set 1.1: A 7 GLN : amide:sc= 0.526 K(o=1.5,f=-5.6!) USER MOD Set 1.2: A 132 SER OG A: rot -24:sc= 0.992 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 129:sc= 0.503 USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0.172 USER MOD Single : A 1 GLY N :NH3+ -175:sc= -0.0758 (180deg=-0.213) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -11:sc= 1.05 USER MOD Single : A 19 ASN : amide:sc= 0.976 K(o=0.98,f=-1.2) USER MOD Single : A 21 ASN : amide:sc= -3.89! C(o=-3.9!,f=-0.55!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -3.16 K(o=-3.2,f=-1.3) USER MOD Single : A 26 THR OG1 : rot -76:sc= 1.33 USER MOD Single : A 27 HIS : no HD1:sc= -0.432 X(o=-0.43,f=-0.047) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -84:sc=0.000588 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -73:sc= 1.28 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.182 K(o=-0.18,f=-2.9!) USER MOD Single : A 56 ASN : amide:sc= -0.0488 X(o=-0.049,f=-0.11) USER MOD Single : A 57 ASN : amide:sc= -1.54! C(o=-1.5!,f=-8.7!) USER MOD Single : A 61 GLN : amide:sc= -2.73! K(o=-2.7!,f=-0.067) USER MOD Single : A 63 HIS : no HD1:sc= -4.28! K(o=-4.3!,f=-0.53) 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= -2.13! K(o=-2.1!,f=0.53) USER MOD Single : A 81 THR OG1 : rot -46:sc= 1.33 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00883 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.023) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= 1.05 K(o=1.1,f=-6!) USER MOD Single : A 111 LYS NZ :NH3+ -177:sc= 1.09 (180deg=1.07) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 70:sc= 0.705 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 148:sc= 0.0431 (180deg=-0.548) USER MOD Single : A 127 SER OG : rot 180:sc= 0.0821 USER MOD Single : A 131 ASN : amide:sc= 0.278 X(o=0.28,f=0.61) USER MOD Single : A 132 SER OG B: rot 85:sc= 1.25 USER MOD Single : A 132 SER OG C: rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot 90:sc= 2.13 USER MOD Single : A 138 TYR OH : rot -42:sc= 0.546 USER MOD Single : A 146 LYS NZ :NH3+ 175:sc= 0.458 (180deg=0.448) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 MET CE :methyl 153:sc= -0.234 (180deg=-0.767) USER MOD Single : A 155 HEM CMA :methyl -30:sc= -0.725 (180deg=-2.37!) USER MOD Single : A 155 HEM CMB :methyl -30:sc= -1 (180deg=-2.79!) USER MOD Single : A 155 HEM CMC :methyl -30:sc= -0.495 (180deg=-3.64!) USER MOD Single : A 155 HEM CMD :methyl 150:sc= -0.245 (180deg=-0.245) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 35.504 49.151 32.395 1.00 65.68 N ATOM 2 CA GLY A 1 36.664 48.798 31.591 1.00 62.71 C ATOM 3 C GLY A 1 36.545 49.055 30.087 1.00 67.50 C ATOM 4 O GLY A 1 37.595 49.331 29.386 0.00 0.00 O ATOM 0 H1 GLY A 1 35.693 49.035 33.257 1.00 65.68 H new ATOM 0 H2 GLY A 1 35.291 50.003 32.251 1.00 65.68 H new ATOM 0 H3 GLY A 1 34.817 48.632 32.170 1.00 65.68 H new ATOM 0 HA2 GLY A 1 37.429 49.292 31.925 1.00 62.71 H new ATOM 0 HA3 GLY A 1 36.854 47.856 31.726 1.00 62.71 H new ATOM 5 N ALA A 2 35.268 49.066 29.682 1.00 68.06 N ATOM 6 CA ALA A 2 34.743 49.370 28.356 1.00 59.43 C ATOM 7 C ALA A 2 34.578 48.215 27.356 1.00 43.86 C ATOM 8 O ALA A 2 33.606 48.131 26.567 1.00 55.27 O ATOM 9 CB ALA A 2 35.562 50.640 27.713 0.00 0.00 C ATOM 0 H ALA A 2 34.634 48.878 30.232 1.00 68.06 H new ATOM 0 HA ALA A 2 33.815 49.601 28.520 1.00 59.43 H new ATOM 0 HB1 ALA A 2 35.210 50.839 26.831 0.00 0.00 H new ATOM 0 HB2 ALA A 2 35.457 51.416 28.285 0.00 0.00 H new ATOM 0 HB3 ALA A 2 36.503 50.416 27.642 0.00 0.00 H new ATOM 10 N LEU A 3 35.627 47.632 27.160 1.00 55.15 N ATOM 11 CA LEU A 3 35.854 46.741 26.016 1.00 32.37 C ATOM 12 C LEU A 3 36.885 47.295 24.978 1.00 37.72 C ATOM 13 O LEU A 3 36.585 47.753 23.871 1.00 31.60 O ATOM 14 CB LEU A 3 34.709 45.699 25.495 1.00 39.93 C ATOM 15 CG LEU A 3 34.503 44.449 26.415 1.00 33.67 C ATOM 16 CD1 LEU A 3 32.998 43.924 26.645 1.00 48.17 C ATOM 17 CD2 LEU A 3 35.126 43.332 25.703 1.00 34.24 C ATOM 0 H LEU A 3 36.308 47.704 27.681 1.00 55.15 H new ATOM 0 HA LEU A 3 36.298 46.011 26.475 1.00 32.37 H new ATOM 0 HB2 LEU A 3 33.866 46.173 25.419 1.00 39.93 H new ATOM 0 HB3 LEU A 3 34.945 45.396 24.604 1.00 39.93 H new ATOM 0 HG LEU A 3 34.853 44.719 27.279 1.00 33.67 H new ATOM 0 HD11 LEU A 3 33.011 43.150 27.230 1.00 48.17 H new ATOM 0 HD12 LEU A 3 32.468 44.627 27.052 1.00 48.17 H new ATOM 0 HD13 LEU A 3 32.607 43.678 25.792 1.00 48.17 H new ATOM 0 HD21 LEU A 3 35.031 42.521 26.227 1.00 34.24 H new ATOM 0 HD22 LEU A 3 34.693 43.214 24.843 1.00 34.24 H new ATOM 0 HD23 LEU A 3 36.068 43.520 25.567 1.00 34.24 H new ATOM 18 N THR A 4 38.119 47.333 25.420 1.00 22.48 N ATOM 19 CA THR A 4 39.283 47.817 24.621 1.00 32.67 C ATOM 20 C THR A 4 39.645 46.718 23.719 1.00 17.39 C ATOM 21 O THR A 4 39.057 45.526 23.836 1.00 21.83 O ATOM 22 CB THR A 4 40.495 48.284 25.529 1.00 36.58 C ATOM 23 OG1 THR A 4 40.899 47.071 26.034 1.00 38.03 O ATOM 24 CG2 THR A 4 40.112 49.192 26.684 1.00 29.62 C ATOM 0 H THR A 4 38.336 47.076 26.212 1.00 22.48 H new ATOM 0 HA THR A 4 39.047 48.612 24.117 1.00 32.67 H new ATOM 0 HB THR A 4 41.144 48.804 25.030 1.00 36.58 H new ATOM 0 HG1 THR A 4 41.725 46.978 25.912 1.00 38.03 H new ATOM 0 HG21 THR A 4 40.907 49.430 27.186 1.00 29.62 H new ATOM 0 HG22 THR A 4 39.695 49.997 26.339 1.00 29.62 H new ATOM 0 HG23 THR A 4 39.489 48.730 27.266 1.00 29.62 H new ATOM 25 N GLU A 5 40.415 47.150 22.736 1.00 12.07 N ATOM 26 CA GLU A 5 40.725 46.225 21.717 1.00 19.08 C ATOM 27 C GLU A 5 41.484 45.179 22.364 1.00 27.92 C ATOM 28 O GLU A 5 41.321 43.989 21.954 1.00 28.52 O ATOM 29 CB GLU A 5 41.612 47.043 20.656 1.00 32.11 C ATOM 30 CG GLU A 5 41.848 46.241 19.379 1.00 48.66 C ATOM 31 CD GLU A 5 42.211 47.254 18.225 1.00 68.75 C ATOM 32 OE1 GLU A 5 41.295 47.824 17.682 1.00 54.60 O ATOM 33 OE2 GLU A 5 43.439 47.780 18.081 1.00 57.14 O ATOM 0 H GLU A 5 40.746 47.940 22.656 1.00 12.07 H new ATOM 0 HA GLU A 5 39.962 45.833 21.264 1.00 19.08 H new ATOM 0 HB2 GLU A 5 41.167 47.877 20.437 1.00 32.11 H new ATOM 0 HB3 GLU A 5 42.465 47.273 21.056 1.00 32.11 H new ATOM 0 HG2 GLU A 5 42.567 45.602 19.508 1.00 48.66 H new ATOM 0 HG3 GLU A 5 41.055 45.733 19.147 1.00 48.66 H new ATOM 34 N SER A 6 42.174 45.568 23.437 1.00 21.41 N ATOM 35 CA SER A 6 42.876 44.574 24.122 1.00 13.10 C ATOM 36 C SER A 6 41.962 43.674 25.076 1.00 14.00 C ATOM 37 O SER A 6 42.137 42.461 25.214 1.00 19.43 O ATOM 38 CB SER A 6 44.094 45.238 24.937 1.00 18.23 C ATOM 39 OG SER A 6 43.575 45.765 26.129 1.00 54.19 O ATOM 0 H SER A 6 42.230 46.368 23.748 1.00 21.41 H new ATOM 0 HA SER A 6 43.222 43.962 23.454 1.00 13.10 H new ATOM 0 HB2 SER A 6 44.777 44.576 25.127 1.00 18.23 H new ATOM 0 HB3 SER A 6 44.514 45.936 24.411 1.00 18.23 H new ATOM 0 HG SER A 6 44.195 46.117 26.573 1.00 54.19 H new ATOM 40 N GLN A 7 40.937 44.183 25.599 1.00 7.10 N ATOM 41 CA GLN A 7 40.026 43.259 26.432 1.00 10.68 C ATOM 42 C GLN A 7 39.312 42.173 25.516 1.00 15.86 C ATOM 43 O GLN A 7 39.052 40.982 25.969 1.00 16.39 O ATOM 44 CB GLN A 7 38.948 43.992 27.088 1.00 14.58 C ATOM 45 CG GLN A 7 39.508 44.735 28.365 1.00 14.12 C ATOM 46 CD GLN A 7 38.489 45.591 28.914 1.00 31.00 C ATOM 47 OE1 GLN A 7 38.098 46.497 28.192 1.00 33.49 O ATOM 48 NE2 GLN A 7 38.421 45.575 30.238 1.00 35.54 N ATOM 0 H GLN A 7 40.692 45.005 25.537 1.00 7.10 H new ATOM 0 HA GLN A 7 40.612 42.848 27.087 1.00 10.68 H new ATOM 0 HB2 GLN A 7 38.561 44.635 26.473 1.00 14.58 H new ATOM 0 HB3 GLN A 7 38.239 43.381 27.343 1.00 14.58 H new ATOM 0 HG2 GLN A 7 39.791 44.087 29.029 1.00 14.12 H new ATOM 0 HG3 GLN A 7 40.290 45.258 28.129 1.00 14.12 H new ATOM 0 HE21 GLN A 7 38.719 44.897 30.676 1.00 35.54 H new ATOM 0 HE22 GLN A 7 38.079 46.242 30.659 1.00 35.54 H new ATOM 49 N ALA A 8 38.935 42.628 24.333 1.00 15.79 N ATOM 50 CA ALA A 8 38.093 41.720 23.413 1.00 25.64 C ATOM 51 C ALA A 8 38.912 40.618 22.958 1.00 27.34 C ATOM 52 O ALA A 8 38.376 39.411 22.798 1.00 19.77 O ATOM 53 CB ALA A 8 37.630 42.483 22.190 1.00 9.27 C ATOM 0 H ALA A 8 39.121 43.407 24.018 1.00 15.79 H new ATOM 0 HA ALA A 8 37.325 41.405 23.914 1.00 25.64 H new ATOM 0 HB1 ALA A 8 37.103 41.898 21.624 1.00 9.27 H new ATOM 0 HB2 ALA A 8 37.089 43.239 22.466 1.00 9.27 H new ATOM 0 HB3 ALA A 8 38.402 42.802 21.696 1.00 9.27 H new ATOM 54 N ALA A 9 40.228 40.997 22.848 1.00 22.08 N ATOM 55 CA ALA A 9 41.099 40.050 22.330 1.00 12.25 C ATOM 56 C ALA A 9 41.234 38.965 23.365 1.00 16.13 C ATOM 57 O ALA A 9 41.382 37.780 23.020 1.00 20.29 O ATOM 58 CB ALA A 9 42.528 40.753 22.006 1.00 19.78 C ATOM 0 H ALA A 9 40.564 41.758 23.067 1.00 22.08 H new ATOM 0 HA ALA A 9 40.771 39.670 21.500 1.00 12.25 H new ATOM 0 HB1 ALA A 9 43.139 40.093 21.644 1.00 19.78 H new ATOM 0 HB2 ALA A 9 42.400 41.464 21.359 1.00 19.78 H new ATOM 0 HB3 ALA A 9 42.899 41.123 22.822 1.00 19.78 H new ATOM 59 N LEU A 10 41.204 39.389 24.599 1.00 13.71 N ATOM 60 CA LEU A 10 41.221 38.444 25.696 1.00 16.94 C ATOM 61 C LEU A 10 39.894 37.477 25.774 1.00 16.30 C ATOM 62 O LEU A 10 39.964 36.320 26.221 1.00 11.75 O ATOM 63 CB LEU A 10 41.430 39.184 27.021 1.00 16.38 C ATOM 64 CG LEU A 10 42.845 40.038 27.182 1.00 24.86 C ATOM 65 CD1 LEU A 10 42.961 40.788 28.541 1.00 24.80 C ATOM 66 CD2 LEU A 10 43.924 39.106 27.144 1.00 25.12 C ATOM 0 H LEU A 10 41.174 40.216 24.831 1.00 13.71 H new ATOM 0 HA LEU A 10 41.966 37.846 25.527 1.00 16.94 H new ATOM 0 HB2 LEU A 10 40.690 39.798 27.145 1.00 16.38 H new ATOM 0 HB3 LEU A 10 41.384 38.535 27.741 1.00 16.38 H new ATOM 0 HG LEU A 10 42.865 40.693 26.467 1.00 24.86 H new ATOM 0 HD11 LEU A 10 43.804 41.266 28.576 1.00 24.80 H new ATOM 0 HD12 LEU A 10 42.229 41.418 28.627 1.00 24.80 H new ATOM 0 HD13 LEU A 10 42.922 40.148 29.269 1.00 24.80 H new ATOM 0 HD21 LEU A 10 44.765 39.580 27.236 1.00 25.12 H new ATOM 0 HD22 LEU A 10 43.830 38.472 27.872 1.00 25.12 H new ATOM 0 HD23 LEU A 10 43.912 38.631 26.298 1.00 25.12 H new ATOM 67 N VAL A 11 38.720 37.966 25.603 1.00 20.39 N ATOM 68 CA VAL A 11 37.459 36.967 25.653 1.00 18.50 C ATOM 69 C VAL A 11 37.509 35.931 24.506 1.00 22.18 C ATOM 70 O VAL A 11 37.077 34.704 24.659 1.00 21.32 O ATOM 71 CB VAL A 11 36.194 37.692 25.569 1.00 14.12 C ATOM 72 CG1 VAL A 11 34.809 36.736 25.304 1.00 9.31 C ATOM 73 CG2 VAL A 11 36.117 38.554 26.821 1.00 9.97 C ATOM 0 H VAL A 11 38.538 38.795 25.461 1.00 20.39 H new ATOM 0 HA VAL A 11 37.511 36.508 26.506 1.00 18.50 H new ATOM 0 HB VAL A 11 36.191 38.236 24.766 1.00 14.12 H new ATOM 0 HG11 VAL A 11 34.025 37.306 25.264 1.00 9.31 H new ATOM 0 HG12 VAL A 11 34.902 36.256 24.466 1.00 9.31 H new ATOM 0 HG13 VAL A 11 34.710 36.101 26.031 1.00 9.31 H new ATOM 0 HG21 VAL A 11 35.290 39.060 26.815 1.00 9.97 H new ATOM 0 HG22 VAL A 11 36.143 37.986 27.607 1.00 9.97 H new ATOM 0 HG23 VAL A 11 36.870 39.166 26.840 1.00 9.97 H new ATOM 74 N LYS A 12 38.000 36.394 23.342 1.00 18.22 N ATOM 75 CA LYS A 12 37.941 35.544 22.165 1.00 10.53 C ATOM 76 C LYS A 12 38.805 34.434 22.314 1.00 15.49 C ATOM 77 O LYS A 12 38.398 33.223 22.014 1.00 15.08 O ATOM 78 CB LYS A 12 38.355 36.359 20.875 1.00 11.57 C ATOM 79 CG LYS A 12 38.216 35.405 19.684 1.00 19.50 C ATOM 80 CD LYS A 12 38.423 36.159 18.351 1.00 38.09 C ATOM 81 CE LYS A 12 38.389 35.134 17.198 1.00 42.92 C ATOM 82 NZ LYS A 12 37.110 34.194 17.208 0.00 0.00 N ATOM 0 H LYS A 12 38.356 37.168 23.225 1.00 18.22 H new ATOM 0 HA LYS A 12 37.029 35.229 22.066 1.00 10.53 H new ATOM 0 HB2 LYS A 12 37.785 37.136 20.762 1.00 11.57 H new ATOM 0 HB3 LYS A 12 39.266 36.684 20.951 1.00 11.57 H new ATOM 0 HG2 LYS A 12 38.866 34.689 19.760 1.00 19.50 H new ATOM 0 HG3 LYS A 12 37.338 34.993 19.695 1.00 19.50 H new ATOM 0 HD2 LYS A 12 37.729 36.826 18.230 1.00 38.09 H new ATOM 0 HD3 LYS A 12 39.271 36.630 18.358 1.00 38.09 H new ATOM 0 HE2 LYS A 12 38.423 35.610 16.353 1.00 42.92 H new ATOM 0 HE3 LYS A 12 39.185 34.582 17.245 1.00 42.92 H new ATOM 0 HZ1 LYS A 12 37.151 33.629 16.521 0.00 0.00 H new ATOM 0 HZ2 LYS A 12 37.086 33.734 17.969 0.00 0.00 H new ATOM 0 HZ3 LYS A 12 36.375 34.691 17.139 0.00 0.00 H new ATOM 83 N SER A 13 39.966 34.875 22.822 1.00 10.26 N ATOM 84 CA SER A 13 40.928 33.925 23.056 1.00 13.04 C ATOM 85 C SER A 13 40.442 32.849 24.109 1.00 21.27 C ATOM 86 O SER A 13 40.621 31.633 23.982 1.00 12.58 O ATOM 87 CB SER A 13 42.250 34.790 23.586 1.00 8.96 C ATOM 88 OG SER A 13 43.192 33.917 23.794 1.00 50.58 O ATOM 0 H SER A 13 40.167 35.689 23.015 1.00 10.26 H new ATOM 0 HA SER A 13 41.138 33.407 22.263 1.00 13.04 H new ATOM 0 HB2 SER A 13 42.524 35.445 22.925 1.00 8.96 H new ATOM 0 HB3 SER A 13 42.043 35.277 24.399 1.00 8.96 H new ATOM 0 HG SER A 13 43.884 34.310 24.063 1.00 50.58 H new ATOM 89 N SER A 14 39.871 33.278 25.196 1.00 21.95 N ATOM 90 CA SER A 14 39.322 32.366 26.281 1.00 10.23 C ATOM 91 C SER A 14 38.019 31.470 25.863 1.00 13.11 C ATOM 92 O SER A 14 37.786 30.265 26.214 1.00 11.83 O ATOM 93 CB SER A 14 39.044 33.180 27.541 1.00 16.81 C ATOM 94 OG SER A 14 38.080 34.060 27.228 1.00 24.12 O ATOM 0 H SER A 14 39.768 34.114 25.369 1.00 21.95 H new ATOM 0 HA SER A 14 40.016 31.708 26.442 1.00 10.23 H new ATOM 0 HB2 SER A 14 38.761 32.603 28.268 1.00 16.81 H new ATOM 0 HB3 SER A 14 39.845 33.639 27.838 1.00 16.81 H new ATOM 0 HG SER A 14 37.967 34.068 26.396 1.00 24.12 H new ATOM 95 N TRP A 15 37.290 31.966 24.984 1.00 15.97 N ATOM 96 CA TRP A 15 36.148 31.115 24.409 1.00 16.78 C ATOM 97 C TRP A 15 36.586 30.047 23.468 1.00 26.95 C ATOM 98 O TRP A 15 35.980 28.847 23.435 1.00 10.60 O ATOM 99 CB TRP A 15 35.211 32.015 23.731 1.00 16.22 C ATOM 100 CG TRP A 15 33.999 31.076 23.147 1.00 37.57 C ATOM 101 CD1 TRP A 15 32.878 30.345 23.751 1.00 24.68 C ATOM 102 CD2 TRP A 15 33.931 30.700 21.813 1.00 18.70 C ATOM 103 NE1 TRP A 15 32.097 29.557 22.784 1.00 23.75 N ATOM 104 CE2 TRP A 15 32.714 29.773 21.652 1.00 35.80 C ATOM 105 CE3 TRP A 15 34.822 31.083 20.778 1.00 17.60 C ATOM 106 CZ2 TRP A 15 32.332 29.216 20.426 1.00 28.73 C ATOM 107 CZ3 TRP A 15 34.435 30.499 19.547 1.00 38.02 C ATOM 108 CH2 TRP A 15 33.226 29.602 19.378 1.00 54.88 C ATOM 0 H TRP A 15 37.367 32.759 24.660 1.00 15.97 H new ATOM 0 HA TRP A 15 35.736 30.649 25.153 1.00 16.78 H new ATOM 0 HB2 TRP A 15 34.866 32.681 24.346 1.00 16.22 H new ATOM 0 HB3 TRP A 15 35.652 32.495 23.013 1.00 16.22 H new ATOM 0 HD1 TRP A 15 32.680 30.377 24.659 1.00 24.68 H new ATOM 0 HE1 TRP A 15 31.402 29.071 22.929 1.00 23.75 H new ATOM 0 HE3 TRP A 15 35.558 31.640 20.892 1.00 17.60 H new ATOM 0 HZ2 TRP A 15 31.592 28.665 20.308 1.00 28.73 H new ATOM 0 HZ3 TRP A 15 34.955 30.677 18.797 1.00 38.02 H new ATOM 0 HH2 TRP A 15 33.051 29.276 18.525 1.00 54.88 H new ATOM 109 N GLU A 16 37.681 30.431 22.780 1.00 25.38 N ATOM 110 CA GLU A 16 38.192 29.407 21.942 1.00 26.47 C ATOM 111 C GLU A 16 38.695 28.313 22.800 1.00 26.07 C ATOM 112 O GLU A 16 38.284 27.084 22.555 1.00 22.32 O ATOM 113 CB GLU A 16 39.269 30.039 20.919 1.00 16.75 C ATOM 114 CG GLU A 16 38.647 30.936 19.891 1.00 32.39 C ATOM 115 CD GLU A 16 39.735 31.655 18.959 1.00 45.97 C ATOM 116 OE1 GLU A 16 40.858 32.190 19.436 1.00 47.96 O ATOM 117 OE2 GLU A 16 39.338 32.194 17.940 1.00 46.42 O ATOM 0 H GLU A 16 38.083 31.191 22.794 1.00 25.38 H new ATOM 0 HA GLU A 16 37.510 29.013 21.376 1.00 26.47 H new ATOM 0 HB2 GLU A 16 39.929 30.541 21.422 1.00 16.75 H new ATOM 0 HB3 GLU A 16 39.741 29.320 20.470 1.00 16.75 H new ATOM 0 HG2 GLU A 16 38.044 30.417 19.336 1.00 32.39 H new ATOM 0 HG3 GLU A 16 38.112 31.611 20.337 1.00 32.39 H new ATOM 118 N GLU A 17 39.409 28.722 23.874 1.00 7.38 N ATOM 119 CA GLU A 17 39.764 27.676 24.795 1.00 5.27 C ATOM 120 C GLU A 17 38.510 26.810 25.385 1.00 19.49 C ATOM 121 O GLU A 17 38.496 25.562 25.455 1.00 16.16 O ATOM 122 CB GLU A 17 40.562 28.295 25.986 1.00 3.80 C ATOM 123 CG GLU A 17 42.002 28.906 25.584 1.00 31.23 C ATOM 124 CD GLU A 17 42.819 29.078 26.889 1.00 48.20 C ATOM 125 OE1 GLU A 17 43.132 28.053 27.477 1.00 46.81 O ATOM 126 OE2 GLU A 17 42.602 30.019 27.639 1.00 51.80 O ATOM 0 H GLU A 17 39.666 29.522 24.059 1.00 7.38 H new ATOM 0 HA GLU A 17 40.297 27.047 24.283 1.00 5.27 H new ATOM 0 HB2 GLU A 17 40.027 28.997 26.389 1.00 3.80 H new ATOM 0 HB3 GLU A 17 40.691 27.613 26.663 1.00 3.80 H new ATOM 0 HG2 GLU A 17 42.463 28.315 24.969 1.00 31.23 H new ATOM 0 HG3 GLU A 17 41.897 29.758 25.133 1.00 31.23 H new ATOM 127 N PHE A 18 37.427 27.399 25.650 1.00 22.12 N ATOM 128 CA PHE A 18 36.147 26.600 26.113 1.00 16.23 C ATOM 129 C PHE A 18 35.590 25.521 25.092 1.00 18.42 C ATOM 130 O PHE A 18 35.166 24.321 25.421 1.00 18.91 O ATOM 131 CB PHE A 18 35.071 27.524 26.392 1.00 11.60 C ATOM 132 CG PHE A 18 33.685 26.740 26.807 1.00 13.90 C ATOM 133 CD1 PHE A 18 33.477 26.358 28.125 1.00 15.13 C ATOM 134 CD2 PHE A 18 32.647 26.461 25.897 1.00 19.53 C ATOM 135 CE1 PHE A 18 32.230 25.690 28.564 1.00 16.40 C ATOM 136 CE2 PHE A 18 31.403 25.772 26.324 1.00 8.16 C ATOM 137 CZ PHE A 18 31.200 25.398 27.656 1.00 5.88 C ATOM 0 H PHE A 18 37.317 28.250 25.598 1.00 22.12 H new ATOM 0 HA PHE A 18 36.446 26.111 26.895 1.00 16.23 H new ATOM 0 HB2 PHE A 18 35.334 28.119 27.111 1.00 11.60 H new ATOM 0 HB3 PHE A 18 34.909 28.077 25.612 1.00 11.60 H new ATOM 0 HD1 PHE A 18 34.142 26.527 28.753 1.00 15.13 H new ATOM 0 HD2 PHE A 18 32.743 26.714 25.007 1.00 19.53 H new ATOM 0 HE1 PHE A 18 32.127 25.459 29.459 1.00 16.40 H new ATOM 0 HE2 PHE A 18 30.746 25.585 25.693 1.00 8.16 H new ATOM 0 HZ PHE A 18 30.418 24.975 27.928 1.00 5.88 H new ATOM 138 N ASN A 19 35.455 25.955 23.895 1.00 20.63 N ATOM 139 CA ASN A 19 34.769 25.081 22.891 1.00 12.94 C ATOM 140 C ASN A 19 35.624 23.976 22.572 1.00 20.51 C ATOM 141 O ASN A 19 35.171 23.014 21.823 1.00 27.47 O ATOM 142 CB ASN A 19 34.699 25.936 21.611 1.00 23.09 C ATOM 143 CG ASN A 19 33.385 25.394 20.917 1.00 37.07 C ATOM 144 OD1 ASN A 19 32.313 25.500 21.535 1.00 43.33 O ATOM 145 ND2 ASN A 19 33.478 25.418 19.614 1.00 41.19 N ATOM 0 H ASN A 19 35.727 26.718 23.606 1.00 20.63 H new ATOM 0 HA ASN A 19 33.910 24.768 23.217 1.00 12.94 H new ATOM 0 HB2 ASN A 19 34.639 26.883 21.811 1.00 23.09 H new ATOM 0 HB3 ASN A 19 35.481 25.814 21.051 1.00 23.09 H new ATOM 0 HD21 ASN A 19 32.771 25.512 19.134 1.00 41.19 H new ATOM 0 HD22 ASN A 19 34.247 25.340 19.236 1.00 41.19 H new ATOM 146 N ALA A 20 36.892 24.168 23.029 1.00 22.10 N ATOM 147 CA ALA A 20 37.825 23.229 22.678 1.00 19.73 C ATOM 148 C ALA A 20 37.447 21.933 23.425 1.00 27.28 C ATOM 149 O ALA A 20 38.014 20.946 23.119 1.00 28.79 O ATOM 150 CB ALA A 20 39.331 23.691 23.046 1.00 28.34 C ATOM 0 H ALA A 20 37.166 24.821 23.517 1.00 22.10 H new ATOM 0 HA ALA A 20 37.820 23.099 21.717 1.00 19.73 H new ATOM 0 HB1 ALA A 20 39.956 22.998 22.781 1.00 28.34 H new ATOM 0 HB2 ALA A 20 39.541 24.513 22.576 1.00 28.34 H new ATOM 0 HB3 ALA A 20 39.400 23.839 24.002 1.00 28.34 H new ATOM 151 N ASN A 21 36.574 21.947 24.390 1.00 17.60 N ATOM 152 CA ASN A 21 36.144 20.654 25.117 1.00 14.91 C ATOM 153 C ASN A 21 34.733 20.563 25.726 1.00 7.25 C ATOM 154 O ASN A 21 34.614 20.628 26.984 1.00 13.20 O ATOM 155 CB ASN A 21 37.080 20.512 26.272 1.00 10.89 C ATOM 156 CG ASN A 21 36.991 19.035 26.674 1.00 10.44 C ATOM 157 OD1 ASN A 21 37.853 18.715 27.467 1.00 30.47 O ATOM 158 ND2 ASN A 21 35.875 18.228 26.396 1.00 14.41 N ATOM 0 H ASN A 21 36.189 22.660 24.678 1.00 17.60 H new ATOM 0 HA ASN A 21 36.155 19.976 24.424 1.00 14.91 H new ATOM 0 HB2 ASN A 21 37.985 20.754 26.022 1.00 10.89 H new ATOM 0 HB3 ASN A 21 36.823 21.092 27.006 1.00 10.89 H new ATOM 0 HD21 ASN A 21 35.781 17.472 26.795 1.00 14.41 H new ATOM 0 HD22 ASN A 21 35.286 18.490 25.827 1.00 14.41 H new ATOM 159 N ILE A 22 33.796 20.631 24.826 1.00 12.42 N ATOM 160 CA ILE A 22 32.377 20.634 25.187 1.00 6.91 C ATOM 161 C ILE A 22 31.937 19.561 26.217 1.00 7.30 C ATOM 162 O ILE A 22 31.301 19.905 27.190 1.00 11.64 O ATOM 163 CB ILE A 22 31.438 20.519 23.949 1.00 13.92 C ATOM 164 CG1 ILE A 22 31.669 21.878 23.180 1.00 17.75 C ATOM 165 CG2 ILE A 22 29.918 19.999 24.238 1.00 13.10 C ATOM 166 CD1 ILE A 22 31.340 23.097 24.021 1.00 16.36 C ATOM 0 H ILE A 22 33.946 20.677 23.981 1.00 12.42 H new ATOM 0 HA ILE A 22 32.284 21.501 25.613 1.00 6.91 H new ATOM 0 HB ILE A 22 31.658 19.776 23.365 1.00 13.92 H new ATOM 0 HG12 ILE A 22 32.594 21.929 22.894 1.00 17.75 H new ATOM 0 HG13 ILE A 22 31.123 21.887 22.378 1.00 17.75 H new ATOM 0 HG21 ILE A 22 29.423 19.965 23.404 1.00 13.10 H new ATOM 0 HG22 ILE A 22 29.948 19.113 24.632 1.00 13.10 H new ATOM 0 HG23 ILE A 22 29.478 20.610 24.850 1.00 13.10 H new ATOM 0 HD11 ILE A 22 31.499 23.901 23.502 1.00 16.36 H new ATOM 0 HD12 ILE A 22 30.408 23.064 24.288 1.00 16.36 H new ATOM 0 HD13 ILE A 22 31.902 23.106 24.811 1.00 16.36 H new ATOM 167 N PRO A 23 32.190 18.304 26.084 1.00 16.90 N ATOM 168 CA PRO A 23 31.486 17.268 27.017 1.00 10.16 C ATOM 169 C PRO A 23 31.996 17.517 28.423 1.00 16.42 C ATOM 170 O PRO A 23 31.166 17.407 29.369 1.00 18.63 O ATOM 171 CB PRO A 23 31.835 15.867 26.569 1.00 17.41 C ATOM 172 CG PRO A 23 32.186 16.032 25.090 1.00 13.64 C ATOM 173 CD PRO A 23 32.617 17.596 24.878 1.00 16.09 C ATOM 0 HA PRO A 23 30.521 17.362 26.985 1.00 10.16 H new ATOM 0 HB2 PRO A 23 32.581 15.508 27.074 1.00 17.41 H new ATOM 0 HB3 PRO A 23 31.090 15.258 26.692 1.00 17.41 H new ATOM 0 HG2 PRO A 23 32.911 15.438 24.840 1.00 13.64 H new ATOM 0 HG3 PRO A 23 31.428 15.805 24.529 1.00 13.64 H new ATOM 0 HD2 PRO A 23 33.575 17.677 24.750 1.00 16.09 H new ATOM 0 HD3 PRO A 23 32.193 17.968 24.089 1.00 16.09 H new ATOM 174 N LYS A 24 33.321 17.975 28.509 1.00 16.69 N ATOM 175 CA LYS A 24 33.849 18.351 29.800 1.00 16.65 C ATOM 176 C LYS A 24 33.311 19.582 30.396 1.00 21.31 C ATOM 177 O LYS A 24 32.835 19.523 31.574 1.00 12.62 O ATOM 178 CB LYS A 24 35.418 18.542 29.790 1.00 17.27 C ATOM 179 CG LYS A 24 35.986 18.845 31.224 1.00 20.85 C ATOM 180 CD LYS A 24 37.557 18.951 31.327 1.00 28.12 C ATOM 181 CE LYS A 24 38.376 19.977 30.391 0.00 0.00 C ATOM 182 NZ LYS A 24 39.823 19.950 30.601 0.00 0.00 N ATOM 0 H LYS A 24 33.864 18.055 27.847 1.00 16.69 H new ATOM 0 HA LYS A 24 33.566 17.594 30.336 1.00 16.65 H new ATOM 0 HB2 LYS A 24 35.838 17.741 29.440 1.00 17.27 H new ATOM 0 HB3 LYS A 24 35.650 19.269 29.191 1.00 17.27 H new ATOM 0 HG2 LYS A 24 35.600 19.678 31.538 1.00 20.85 H new ATOM 0 HG3 LYS A 24 35.685 18.148 31.828 1.00 20.85 H new ATOM 0 HD2 LYS A 24 37.768 19.173 32.247 1.00 28.12 H new ATOM 0 HD3 LYS A 24 37.914 18.065 31.160 1.00 28.12 H new ATOM 0 HE2 LYS A 24 38.190 19.771 29.462 0.00 0.00 H new ATOM 0 HE3 LYS A 24 38.052 20.877 30.553 0.00 0.00 H new ATOM 0 HZ1 LYS A 24 40.213 20.536 30.057 0.00 0.00 H new ATOM 0 HZ2 LYS A 24 40.005 20.164 31.446 0.00 0.00 H new ATOM 0 HZ3 LYS A 24 40.133 19.134 30.429 0.00 0.00 H new ATOM 183 N HIS A 25 33.478 20.694 29.626 1.00 15.66 N ATOM 184 CA HIS A 25 33.223 22.011 30.196 1.00 16.85 C ATOM 185 C HIS A 25 31.725 22.101 30.481 1.00 16.50 C ATOM 186 O HIS A 25 31.385 22.694 31.509 1.00 11.66 O ATOM 187 CB HIS A 25 33.818 23.105 29.220 1.00 4.85 C ATOM 188 CG HIS A 25 35.361 23.178 29.164 1.00 15.71 C ATOM 189 ND1 HIS A 25 36.079 22.886 30.273 1.00 25.10 N ATOM 190 CD2 HIS A 25 36.209 23.417 28.126 1.00 18.82 C ATOM 191 CE1 HIS A 25 37.441 22.926 29.899 1.00 12.44 C ATOM 192 NE2 HIS A 25 37.500 23.240 28.555 1.00 17.40 N ATOM 0 H HIS A 25 33.729 20.691 28.804 1.00 15.66 H new ATOM 0 HA HIS A 25 33.667 22.169 31.044 1.00 16.85 H new ATOM 0 HB2 HIS A 25 33.485 22.933 28.325 1.00 4.85 H new ATOM 0 HB3 HIS A 25 33.478 23.973 29.487 1.00 4.85 H new ATOM 0 HD2 HIS A 25 35.954 23.661 27.265 1.00 18.82 H new ATOM 0 HE1 HIS A 25 38.168 22.769 30.458 1.00 12.44 H new ATOM 0 HE2 HIS A 25 38.212 23.311 28.077 1.00 17.40 H new ATOM 193 N THR A 26 30.845 21.434 29.638 1.00 13.42 N ATOM 194 CA THR A 26 29.386 21.388 29.795 1.00 11.54 C ATOM 195 C THR A 26 28.832 20.528 30.980 1.00 5.77 C ATOM 196 O THR A 26 27.927 20.864 31.701 1.00 8.03 O ATOM 197 CB THR A 26 28.632 20.975 28.495 1.00 25.30 C ATOM 198 OG1 THR A 26 28.804 19.634 28.160 1.00 13.82 O ATOM 199 CG2 THR A 26 29.101 21.972 27.340 1.00 13.54 C ATOM 0 H THR A 26 31.117 20.994 28.951 1.00 13.42 H new ATOM 0 HA THR A 26 29.201 22.315 30.013 1.00 11.54 H new ATOM 0 HB THR A 26 27.675 21.053 28.633 1.00 25.30 H new ATOM 0 HG1 THR A 26 29.566 19.524 27.825 1.00 13.82 H new ATOM 0 HG21 THR A 26 28.650 21.744 26.512 1.00 13.54 H new ATOM 0 HG22 THR A 26 28.878 22.883 27.588 1.00 13.54 H new ATOM 0 HG23 THR A 26 30.060 21.896 27.217 1.00 13.54 H new ATOM 200 N HIS A 27 29.456 19.488 31.247 1.00 8.84 N ATOM 201 CA HIS A 27 29.001 18.641 32.379 1.00 9.63 C ATOM 202 C HIS A 27 29.450 19.366 33.680 1.00 9.45 C ATOM 203 O HIS A 27 28.627 19.419 34.624 1.00 12.70 O ATOM 204 CB HIS A 27 29.595 17.314 32.247 1.00 11.70 C ATOM 205 CG HIS A 27 29.618 16.535 33.571 1.00 9.33 C ATOM 206 ND1 HIS A 27 28.471 15.608 34.000 1.00 21.89 N ATOM 207 CD2 HIS A 27 30.616 16.545 34.465 1.00 8.64 C ATOM 208 CE1 HIS A 27 28.815 15.078 35.234 1.00 11.96 C ATOM 209 NE2 HIS A 27 30.154 15.647 35.516 1.00 24.94 N ATOM 0 H HIS A 27 30.149 19.203 30.825 1.00 8.84 H new ATOM 0 HA HIS A 27 28.039 18.519 32.395 1.00 9.63 H new ATOM 0 HB2 HIS A 27 29.098 16.806 31.587 1.00 11.70 H new ATOM 0 HB3 HIS A 27 30.501 17.402 31.913 1.00 11.70 H new ATOM 0 HD2 HIS A 27 31.417 17.016 34.424 1.00 8.64 H new ATOM 0 HE1 HIS A 27 28.318 14.497 35.764 1.00 11.96 H new ATOM 0 HE2 HIS A 27 30.609 15.467 36.223 1.00 24.94 H new ATOM 210 N ARG A 28 30.662 20.120 33.610 1.00 13.26 N ATOM 211 CA ARG A 28 31.218 20.971 34.714 1.00 11.25 C ATOM 212 C ARG A 28 30.358 22.084 35.033 1.00 10.52 C ATOM 213 O ARG A 28 30.153 22.338 36.236 1.00 14.10 O ATOM 214 CB ARG A 28 32.713 21.562 34.432 1.00 9.84 C ATOM 215 CG ARG A 28 33.389 22.235 35.700 1.00 28.36 C ATOM 216 CD ARG A 28 33.489 21.285 36.900 1.00 28.90 C ATOM 217 NE ARG A 28 34.006 22.124 38.031 1.00 44.14 N ATOM 218 CZ ARG A 28 33.844 21.879 39.325 1.00 49.30 C ATOM 219 NH1 ARG A 28 33.118 20.755 39.765 1.00 51.36 N ATOM 220 NH2 ARG A 28 34.427 22.790 40.187 1.00 42.17 N ATOM 0 H ARG A 28 31.156 20.127 32.906 1.00 13.26 H new ATOM 0 HA ARG A 28 31.273 20.355 35.461 1.00 11.25 H new ATOM 0 HB2 ARG A 28 33.282 20.842 34.118 1.00 9.84 H new ATOM 0 HB3 ARG A 28 32.663 22.216 33.718 1.00 9.84 H new ATOM 0 HG2 ARG A 28 34.278 22.542 35.462 1.00 28.36 H new ATOM 0 HG3 ARG A 28 32.877 23.018 35.956 1.00 28.36 H new ATOM 0 HD2 ARG A 28 32.624 20.902 37.116 1.00 28.90 H new ATOM 0 HD3 ARG A 28 34.088 20.545 36.711 1.00 28.90 H new ATOM 0 HE ARG A 28 34.449 22.830 37.821 1.00 44.14 H new ATOM 0 HH11 ARG A 28 32.772 20.215 39.192 1.00 51.36 H new ATOM 0 HH12 ARG A 28 33.021 20.608 40.607 1.00 51.36 H new ATOM 0 HH21 ARG A 28 34.861 23.463 39.873 1.00 42.17 H new ATOM 0 HH22 ARG A 28 34.356 22.684 41.037 1.00 42.17 H new ATOM 221 N PHE A 29 30.043 22.791 33.982 1.00 11.04 N ATOM 222 CA PHE A 29 29.148 23.855 34.077 1.00 14.27 C ATOM 223 C PHE A 29 27.848 23.354 34.855 1.00 17.07 C ATOM 224 O PHE A 29 27.591 23.939 35.914 1.00 13.35 O ATOM 225 CB PHE A 29 28.814 24.283 32.625 1.00 7.04 C ATOM 226 CG PHE A 29 27.662 25.138 32.632 1.00 13.99 C ATOM 227 CD1 PHE A 29 27.883 26.458 33.138 1.00 3.46 C ATOM 228 CD2 PHE A 29 26.392 24.552 32.197 1.00 7.49 C ATOM 229 CE1 PHE A 29 26.836 27.220 33.203 1.00 6.40 C ATOM 230 CE2 PHE A 29 25.325 25.311 32.275 1.00 21.76 C ATOM 231 CZ PHE A 29 25.556 26.645 32.769 1.00 10.44 C ATOM 0 H PHE A 29 30.355 22.652 33.193 1.00 11.04 H new ATOM 0 HA PHE A 29 29.513 24.610 34.564 1.00 14.27 H new ATOM 0 HB2 PHE A 29 29.570 24.746 32.232 1.00 7.04 H new ATOM 0 HB3 PHE A 29 28.645 23.500 32.078 1.00 7.04 H new ATOM 0 HD1 PHE A 29 28.725 26.751 33.404 1.00 3.46 H new ATOM 0 HD2 PHE A 29 26.344 23.679 31.879 1.00 7.49 H new ATOM 0 HE1 PHE A 29 26.893 28.095 33.512 1.00 6.40 H new ATOM 0 HE2 PHE A 29 24.480 25.010 32.029 1.00 21.76 H new ATOM 0 HZ PHE A 29 24.813 27.203 32.818 1.00 10.44 H new ATOM 232 N PHE A 30 27.121 22.185 34.472 1.00 13.60 N ATOM 233 CA PHE A 30 25.900 21.557 35.264 1.00 9.46 C ATOM 234 C PHE A 30 26.100 21.127 36.709 1.00 6.09 C ATOM 235 O PHE A 30 25.280 21.349 37.599 1.00 12.34 O ATOM 236 CB PHE A 30 24.948 20.483 34.469 1.00 6.44 C ATOM 237 CG PHE A 30 24.095 21.136 33.464 1.00 15.18 C ATOM 238 CD1 PHE A 30 24.355 21.081 32.108 1.00 5.15 C ATOM 239 CD2 PHE A 30 23.048 21.764 33.947 1.00 15.01 C ATOM 240 CE1 PHE A 30 23.522 21.637 31.211 1.00 11.00 C ATOM 241 CE2 PHE A 30 22.236 22.336 33.073 1.00 17.07 C ATOM 242 CZ PHE A 30 22.469 22.264 31.703 1.00 18.89 C ATOM 0 H PHE A 30 27.316 21.741 33.761 1.00 13.60 H new ATOM 0 HA PHE A 30 25.405 22.390 35.316 1.00 9.46 H new ATOM 0 HB2 PHE A 30 25.505 19.818 34.035 1.00 6.44 H new ATOM 0 HB3 PHE A 30 24.390 20.012 35.108 1.00 6.44 H new ATOM 0 HD1 PHE A 30 25.123 20.650 31.809 1.00 5.15 H new ATOM 0 HD2 PHE A 30 22.885 21.805 34.862 1.00 15.01 H new ATOM 0 HE1 PHE A 30 23.678 21.583 30.296 1.00 11.00 H new ATOM 0 HE2 PHE A 30 21.490 22.798 33.382 1.00 17.07 H new ATOM 0 HZ PHE A 30 21.868 22.668 31.119 1.00 18.89 H new ATOM 243 N ILE A 31 27.264 20.643 37.005 1.00 7.34 N ATOM 244 CA ILE A 31 27.601 20.379 38.396 1.00 9.63 C ATOM 245 C ILE A 31 27.743 21.666 39.199 1.00 3.00 C ATOM 246 O ILE A 31 27.443 21.617 40.396 1.00 9.03 O ATOM 247 CB ILE A 31 28.990 19.848 38.442 1.00 8.00 C ATOM 248 CG1 ILE A 31 28.916 18.489 37.693 1.00 16.23 C ATOM 249 CG2 ILE A 31 29.552 19.723 39.872 1.00 3.00 C ATOM 250 CD1 ILE A 31 27.949 17.358 38.374 1.00 31.29 C ATOM 0 H ILE A 31 27.880 20.456 36.435 1.00 7.34 H new ATOM 0 HA ILE A 31 26.908 19.796 38.743 1.00 9.63 H new ATOM 0 HB ILE A 31 29.617 20.457 38.021 1.00 8.00 H new ATOM 0 HG12 ILE A 31 28.607 18.653 36.788 1.00 16.23 H new ATOM 0 HG13 ILE A 31 29.813 18.126 37.625 1.00 16.23 H new ATOM 0 HG21 ILE A 31 30.456 19.373 39.835 1.00 3.00 H new ATOM 0 HG22 ILE A 31 29.561 20.596 40.294 1.00 3.00 H new ATOM 0 HG23 ILE A 31 28.993 19.121 40.388 1.00 3.00 H new ATOM 0 HD11 ILE A 31 27.968 16.550 37.838 1.00 31.29 H new ATOM 0 HD12 ILE A 31 28.265 17.159 39.269 1.00 31.29 H new ATOM 0 HD13 ILE A 31 27.040 17.694 38.419 1.00 31.29 H new ATOM 251 N LEU A 32 28.425 22.766 38.633 1.00 4.03 N ATOM 252 CA LEU A 32 28.646 24.061 39.380 1.00 8.03 C ATOM 253 C LEU A 32 27.335 24.700 39.499 1.00 12.85 C ATOM 254 O LEU A 32 27.070 25.265 40.564 1.00 17.15 O ATOM 255 CB LEU A 32 29.622 25.031 38.523 1.00 13.25 C ATOM 256 CG LEU A 32 31.084 24.710 38.503 1.00 9.02 C ATOM 257 CD1 LEU A 32 31.904 25.585 37.440 1.00 14.54 C ATOM 258 CD2 LEU A 32 31.780 25.002 39.882 1.00 12.86 C ATOM 0 H LEU A 32 28.751 22.762 37.837 1.00 4.03 H new ATOM 0 HA LEU A 32 29.051 23.897 40.246 1.00 8.03 H new ATOM 0 HB2 LEU A 32 29.306 25.037 37.606 1.00 13.25 H new ATOM 0 HB3 LEU A 32 29.520 25.933 38.864 1.00 13.25 H new ATOM 0 HG LEU A 32 31.106 23.767 38.277 1.00 9.02 H new ATOM 0 HD11 LEU A 32 32.841 25.336 37.470 1.00 14.54 H new ATOM 0 HD12 LEU A 32 31.555 25.423 36.549 1.00 14.54 H new ATOM 0 HD13 LEU A 32 31.813 26.526 37.656 1.00 14.54 H new ATOM 0 HD21 LEU A 32 32.722 24.780 39.822 1.00 12.86 H new ATOM 0 HD22 LEU A 32 31.683 25.942 40.101 1.00 12.86 H new ATOM 0 HD23 LEU A 32 31.365 24.464 40.574 1.00 12.86 H new ATOM 259 N VAL A 33 26.417 24.469 38.540 1.00 13.13 N ATOM 260 CA VAL A 33 25.059 24.892 38.754 1.00 16.39 C ATOM 261 C VAL A 33 24.393 24.263 40.023 1.00 12.32 C ATOM 262 O VAL A 33 23.926 24.991 40.850 1.00 14.77 O ATOM 263 CB VAL A 33 24.086 24.588 37.556 1.00 10.93 C ATOM 264 CG1 VAL A 33 22.623 24.806 37.896 1.00 8.65 C ATOM 265 CG2 VAL A 33 24.582 25.347 36.257 1.00 4.51 C ATOM 0 H VAL A 33 26.571 24.080 37.789 1.00 13.13 H new ATOM 0 HA VAL A 33 25.167 25.850 38.861 1.00 16.39 H new ATOM 0 HB VAL A 33 24.124 23.638 37.363 1.00 10.93 H new ATOM 0 HG11 VAL A 33 22.077 24.603 37.121 1.00 8.65 H new ATOM 0 HG12 VAL A 33 22.371 24.224 38.630 1.00 8.65 H new ATOM 0 HG13 VAL A 33 22.485 25.731 38.155 1.00 8.65 H new ATOM 0 HG21 VAL A 33 23.979 25.157 35.521 1.00 4.51 H new ATOM 0 HG22 VAL A 33 24.595 26.302 36.425 1.00 4.51 H new ATOM 0 HG23 VAL A 33 25.476 25.047 36.028 1.00 4.51 H new ATOM 266 N LEU A 34 24.398 22.929 40.138 1.00 17.67 N ATOM 267 CA LEU A 34 23.703 22.030 41.181 1.00 12.76 C ATOM 268 C LEU A 34 24.412 22.208 42.516 1.00 13.13 C ATOM 269 O LEU A 34 23.709 22.185 43.547 1.00 12.05 O ATOM 270 CB LEU A 34 23.556 20.524 40.729 1.00 11.23 C ATOM 271 CG LEU A 34 22.242 19.956 39.978 1.00 22.01 C ATOM 272 CD1 LEU A 34 21.461 20.940 39.247 1.00 10.63 C ATOM 273 CD2 LEU A 34 22.369 18.685 39.135 1.00 8.91 C ATOM 0 H LEU A 34 24.838 22.453 39.573 1.00 17.67 H new ATOM 0 HA LEU A 34 22.781 22.314 41.277 1.00 12.76 H new ATOM 0 HB2 LEU A 34 24.309 20.336 40.147 1.00 11.23 H new ATOM 0 HB3 LEU A 34 23.673 19.984 41.527 1.00 11.23 H new ATOM 0 HG LEU A 34 21.757 19.688 40.775 1.00 22.01 H new ATOM 0 HD11 LEU A 34 20.698 20.506 38.834 1.00 10.63 H new ATOM 0 HD12 LEU A 34 21.150 21.626 39.859 1.00 10.63 H new ATOM 0 HD13 LEU A 34 22.013 21.346 38.560 1.00 10.63 H new ATOM 0 HD21 LEU A 34 21.507 18.466 38.748 1.00 8.91 H new ATOM 0 HD22 LEU A 34 23.014 18.830 38.425 1.00 8.91 H new ATOM 0 HD23 LEU A 34 22.667 17.952 39.697 1.00 8.91 H new ATOM 274 N GLU A 35 25.727 22.671 42.488 1.00 12.92 N ATOM 275 CA GLU A 35 26.412 23.131 43.730 1.00 14.53 C ATOM 276 C GLU A 35 26.039 24.439 44.278 1.00 8.22 C ATOM 277 O GLU A 35 26.061 24.604 45.519 1.00 15.26 O ATOM 278 CB GLU A 35 27.950 23.410 43.510 1.00 28.69 C ATOM 279 CG GLU A 35 28.466 22.085 43.144 1.00 49.13 C ATOM 280 CD GLU A 35 30.007 22.292 43.129 1.00 49.65 C ATOM 281 OE1 GLU A 35 30.525 21.233 43.067 1.00 45.00 O ATOM 282 OE2 GLU A 35 30.689 23.355 43.610 1.00 42.24 O ATOM 0 H GLU A 35 26.207 22.718 41.776 1.00 12.92 H new ATOM 0 HA GLU A 35 26.160 22.395 44.309 1.00 14.53 H new ATOM 0 HB2 GLU A 35 28.102 24.063 42.809 1.00 28.69 H new ATOM 0 HB3 GLU A 35 28.373 23.753 44.313 1.00 28.69 H new ATOM 0 HG2 GLU A 35 28.202 21.408 43.787 1.00 49.13 H new ATOM 0 HG3 GLU A 35 28.135 21.799 42.278 1.00 49.13 H new ATOM 283 N ILE A 36 25.768 25.351 43.411 1.00 18.33 N ATOM 284 CA ILE A 36 25.389 26.672 43.838 1.00 15.33 C ATOM 285 C ILE A 36 23.909 26.495 44.281 1.00 20.29 C ATOM 286 O ILE A 36 23.565 27.066 45.319 1.00 15.60 O ATOM 287 CB ILE A 36 25.674 27.716 42.667 1.00 14.70 C ATOM 288 CG1 ILE A 36 27.256 28.028 42.431 1.00 10.63 C ATOM 289 CG2 ILE A 36 25.085 29.056 42.933 1.00 9.74 C ATOM 290 CD1 ILE A 36 27.620 28.745 41.061 1.00 11.42 C ATOM 0 H ILE A 36 25.794 25.238 42.559 1.00 18.33 H new ATOM 0 HA ILE A 36 25.894 27.045 44.577 1.00 15.33 H new ATOM 0 HB ILE A 36 25.277 27.278 41.898 1.00 14.70 H new ATOM 0 HG12 ILE A 36 27.572 28.583 43.161 1.00 10.63 H new ATOM 0 HG13 ILE A 36 27.744 27.191 42.479 1.00 10.63 H new ATOM 0 HG21 ILE A 36 25.286 29.651 42.194 1.00 9.74 H new ATOM 0 HG22 ILE A 36 24.123 28.974 43.029 1.00 9.74 H new ATOM 0 HG23 ILE A 36 25.461 29.418 43.750 1.00 9.74 H new ATOM 0 HD11 ILE A 36 28.578 28.887 41.014 1.00 11.42 H new ATOM 0 HD12 ILE A 36 27.340 28.187 40.319 1.00 11.42 H new ATOM 0 HD13 ILE A 36 27.164 29.600 41.012 1.00 11.42 H new ATOM 291 N ALA A 37 23.056 25.668 43.518 1.00 8.74 N ATOM 292 CA ALA A 37 21.562 25.462 43.751 1.00 13.04 C ATOM 293 C ALA A 37 20.988 24.021 43.313 1.00 6.08 C ATOM 294 O ALA A 37 20.502 23.765 42.140 1.00 9.24 O ATOM 295 CB ALA A 37 20.858 26.508 42.905 1.00 7.89 C ATOM 0 H ALA A 37 23.348 25.214 42.848 1.00 8.74 H new ATOM 0 HA ALA A 37 21.407 25.530 44.706 1.00 13.04 H new ATOM 0 HB1 ALA A 37 19.898 26.422 43.016 1.00 7.89 H new ATOM 0 HB2 ALA A 37 21.137 27.393 43.186 1.00 7.89 H new ATOM 0 HB3 ALA A 37 21.088 26.378 41.972 1.00 7.89 H new ATOM 296 N PRO A 38 21.069 23.104 44.220 1.00 14.70 N ATOM 297 CA PRO A 38 20.457 21.675 44.018 1.00 16.86 C ATOM 298 C PRO A 38 19.024 21.481 43.471 1.00 16.32 C ATOM 299 O PRO A 38 18.664 20.559 42.640 1.00 19.17 O ATOM 300 CB PRO A 38 20.494 20.969 45.386 1.00 17.10 C ATOM 301 CG PRO A 38 21.316 21.948 46.348 1.00 11.40 C ATOM 302 CD PRO A 38 21.661 23.304 45.581 1.00 11.30 C ATOM 0 HA PRO A 38 21.009 21.322 43.303 1.00 16.86 H new ATOM 0 HB2 PRO A 38 19.598 20.817 45.725 1.00 17.10 H new ATOM 0 HB3 PRO A 38 20.924 20.102 45.320 1.00 17.10 H new ATOM 0 HG2 PRO A 38 20.798 22.141 47.145 1.00 11.40 H new ATOM 0 HG3 PRO A 38 22.134 21.516 46.640 1.00 11.40 H new ATOM 0 HD2 PRO A 38 21.275 24.074 46.028 1.00 11.30 H new ATOM 0 HD3 PRO A 38 22.618 23.453 45.535 1.00 11.30 H new ATOM 303 N ALA A 39 18.234 22.356 43.859 1.00 14.77 N ATOM 304 CA ALA A 39 16.797 22.231 43.502 1.00 13.89 C ATOM 305 C ALA A 39 16.627 22.302 41.998 1.00 12.37 C ATOM 306 O ALA A 39 15.500 21.950 41.442 1.00 14.28 O ATOM 307 CB ALA A 39 16.106 23.306 44.241 1.00 17.38 C ATOM 0 H ALA A 39 18.445 23.046 44.327 1.00 14.77 H new ATOM 0 HA ALA A 39 16.412 21.376 43.752 1.00 13.89 H new ATOM 0 HB1 ALA A 39 15.156 23.274 44.046 1.00 17.38 H new ATOM 0 HB2 ALA A 39 16.244 23.185 45.193 1.00 17.38 H new ATOM 0 HB3 ALA A 39 16.463 24.166 43.970 1.00 17.38 H new ATOM 308 N ALA A 40 17.709 22.951 41.397 1.00 12.39 N ATOM 309 CA ALA A 40 17.592 23.303 39.963 1.00 15.55 C ATOM 310 C ALA A 40 17.420 22.051 39.068 1.00 18.40 C ATOM 311 O ALA A 40 17.017 22.053 37.872 1.00 14.77 O ATOM 312 CB ALA A 40 18.852 24.268 39.496 1.00 15.81 C ATOM 0 H ALA A 40 18.446 23.169 41.784 1.00 12.39 H new ATOM 0 HA ALA A 40 16.779 23.819 39.843 1.00 15.55 H new ATOM 0 HB1 ALA A 40 18.760 24.489 38.556 1.00 15.81 H new ATOM 0 HB2 ALA A 40 18.847 25.084 40.021 1.00 15.81 H new ATOM 0 HB3 ALA A 40 19.689 23.798 39.637 1.00 15.81 H new ATOM 313 N LYS A 41 17.637 20.972 39.692 1.00 13.30 N ATOM 314 CA LYS A 41 17.668 19.747 38.908 1.00 14.10 C ATOM 315 C LYS A 41 16.297 19.259 38.258 1.00 24.85 C ATOM 316 O LYS A 41 16.283 18.903 37.054 1.00 25.35 O ATOM 317 CB LYS A 41 18.072 18.641 39.827 1.00 21.23 C ATOM 318 CG LYS A 41 17.950 17.245 39.155 1.00 35.49 C ATOM 319 CD LYS A 41 18.254 16.159 40.167 1.00 45.56 C ATOM 320 CE LYS A 41 18.138 14.729 39.562 1.00 35.20 C ATOM 321 NZ LYS A 41 16.733 14.212 39.199 0.00 0.00 N ATOM 0 H LYS A 41 17.769 20.891 40.538 1.00 13.30 H new ATOM 0 HA LYS A 41 18.269 19.948 38.174 1.00 14.10 H new ATOM 0 HB2 LYS A 41 18.988 18.780 40.115 1.00 21.23 H new ATOM 0 HB3 LYS A 41 17.517 18.665 40.622 1.00 21.23 H new ATOM 0 HG2 LYS A 41 17.056 17.125 38.799 1.00 35.49 H new ATOM 0 HG3 LYS A 41 18.564 17.182 38.407 1.00 35.49 H new ATOM 0 HD2 LYS A 41 19.150 16.288 40.515 1.00 45.56 H new ATOM 0 HD3 LYS A 41 17.644 16.240 40.917 1.00 45.56 H new ATOM 0 HE2 LYS A 41 18.682 14.700 38.760 1.00 35.20 H new ATOM 0 HE3 LYS A 41 18.530 14.106 40.193 1.00 35.20 H new ATOM 0 HZ1 LYS A 41 16.796 13.390 38.865 0.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.224 14.197 39.929 0.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.366 14.751 38.593 0.00 0.00 H new ATOM 322 N ASP A 42 15.218 19.442 38.968 1.00 21.04 N ATOM 323 CA ASP A 42 13.810 19.063 38.500 1.00 22.88 C ATOM 324 C ASP A 42 13.478 19.772 37.234 1.00 24.36 C ATOM 325 O ASP A 42 12.524 19.197 36.560 1.00 23.50 O ATOM 326 CB ASP A 42 12.804 19.293 39.622 1.00 41.61 C ATOM 327 CG ASP A 42 13.109 18.386 40.779 1.00 55.64 C ATOM 328 OD1 ASP A 42 13.895 18.918 41.681 1.00 53.25 O ATOM 329 OD2 ASP A 42 13.105 17.148 40.524 1.00 47.77 O ATOM 0 H ASP A 42 15.232 19.792 39.754 1.00 21.04 H new ATOM 0 HA ASP A 42 13.771 18.116 38.293 1.00 22.88 H new ATOM 0 HB2 ASP A 42 12.835 20.219 39.910 1.00 41.61 H new ATOM 0 HB3 ASP A 42 11.905 19.127 39.299 1.00 41.61 H new ATOM 330 N LEU A 43 14.247 20.931 36.898 1.00 11.78 N ATOM 331 CA LEU A 43 13.955 21.743 35.728 1.00 8.10 C ATOM 332 C LEU A 43 14.327 21.155 34.410 1.00 16.65 C ATOM 333 O LEU A 43 13.788 21.478 33.352 1.00 13.95 O ATOM 334 CB LEU A 43 14.754 23.198 35.806 1.00 15.47 C ATOM 335 CG LEU A 43 14.319 23.960 37.042 1.00 14.10 C ATOM 336 CD1 LEU A 43 15.229 25.337 37.205 1.00 15.26 C ATOM 337 CD2 LEU A 43 12.802 24.052 36.997 1.00 14.68 C ATOM 0 H LEU A 43 14.916 21.210 37.361 1.00 11.78 H new ATOM 0 HA LEU A 43 12.989 21.823 35.762 1.00 8.10 H new ATOM 0 HB2 LEU A 43 15.712 23.049 35.829 1.00 15.47 H new ATOM 0 HB3 LEU A 43 14.567 23.722 35.011 1.00 15.47 H new ATOM 0 HG LEU A 43 14.502 23.521 37.887 1.00 14.10 H new ATOM 0 HD11 LEU A 43 14.946 25.820 37.997 1.00 15.26 H new ATOM 0 HD12 LEU A 43 16.165 25.098 37.289 1.00 15.26 H new ATOM 0 HD13 LEU A 43 15.108 25.899 36.424 1.00 15.26 H new ATOM 0 HD21 LEU A 43 12.484 24.535 37.775 1.00 14.68 H new ATOM 0 HD22 LEU A 43 12.530 24.520 36.192 1.00 14.68 H new ATOM 0 HD23 LEU A 43 12.423 23.159 36.994 1.00 14.68 H new ATOM 338 N PHE A 44 15.256 20.355 34.469 1.00 19.09 N ATOM 339 CA PHE A 44 15.890 19.928 33.228 1.00 17.15 C ATOM 340 C PHE A 44 15.374 18.457 32.861 1.00 22.37 C ATOM 341 O PHE A 44 15.529 17.543 33.684 1.00 17.31 O ATOM 342 CB PHE A 44 17.464 20.133 33.377 1.00 13.89 C ATOM 343 CG PHE A 44 18.070 21.655 33.503 1.00 22.50 C ATOM 344 CD1 PHE A 44 18.343 22.239 34.743 1.00 10.59 C ATOM 345 CD2 PHE A 44 18.379 22.433 32.363 1.00 19.86 C ATOM 346 CE1 PHE A 44 18.930 23.602 34.843 1.00 23.95 C ATOM 347 CE2 PHE A 44 18.944 23.813 32.469 1.00 13.71 C ATOM 348 CZ PHE A 44 19.222 24.392 33.695 1.00 11.16 C ATOM 0 H PHE A 44 15.576 20.014 35.191 1.00 19.09 H new ATOM 0 HA PHE A 44 15.642 20.463 32.458 1.00 17.15 H new ATOM 0 HB2 PHE A 44 17.749 19.640 34.162 1.00 13.89 H new ATOM 0 HB3 PHE A 44 17.886 19.714 32.611 1.00 13.89 H new ATOM 0 HD1 PHE A 44 18.154 21.766 35.521 1.00 10.59 H new ATOM 0 HD2 PHE A 44 18.226 22.074 31.519 1.00 19.86 H new ATOM 0 HE1 PHE A 44 19.113 23.951 35.686 1.00 23.95 H new ATOM 0 HE2 PHE A 44 19.113 24.295 31.692 1.00 13.71 H new ATOM 0 HZ PHE A 44 19.579 25.248 33.765 1.00 11.16 H new ATOM 349 N SER A 45 14.690 18.260 31.731 1.00 22.37 N ATOM 350 CA SER A 45 14.006 16.906 31.300 1.00 25.00 C ATOM 351 C SER A 45 14.913 15.807 31.318 1.00 26.79 C ATOM 352 O SER A 45 14.523 14.644 31.785 1.00 22.23 O ATOM 353 CB SER A 45 13.344 16.964 29.897 1.00 41.72 C ATOM 354 OG SER A 45 14.264 17.512 28.833 1.00 37.15 O ATOM 0 H SER A 45 14.579 18.885 31.151 1.00 22.37 H new ATOM 0 HA SER A 45 13.313 16.772 31.965 1.00 25.00 H new ATOM 0 HB2 SER A 45 13.058 16.073 29.643 1.00 41.72 H new ATOM 0 HB3 SER A 45 12.547 17.515 29.943 1.00 41.72 H new ATOM 0 HG SER A 45 14.233 18.351 28.841 1.00 37.15 H new ATOM 355 N PHE A 46 16.144 16.205 30.904 1.00 15.94 N ATOM 356 CA PHE A 46 17.151 15.288 30.905 1.00 11.84 C ATOM 357 C PHE A 46 17.813 15.095 32.260 1.00 30.97 C ATOM 358 O PHE A 46 18.662 14.302 32.353 1.00 20.03 O ATOM 359 CB PHE A 46 18.241 15.656 29.798 1.00 10.77 C ATOM 360 CG PHE A 46 18.848 17.174 29.866 1.00 18.46 C ATOM 361 CD1 PHE A 46 18.415 18.082 28.976 1.00 21.60 C ATOM 362 CD2 PHE A 46 19.811 17.635 30.810 1.00 19.31 C ATOM 363 CE1 PHE A 46 18.922 19.454 29.032 1.00 23.15 C ATOM 364 CE2 PHE A 46 20.387 19.028 30.838 1.00 19.37 C ATOM 365 CZ PHE A 46 19.937 19.936 29.960 1.00 17.89 C ATOM 0 H PHE A 46 16.353 16.995 30.636 1.00 15.94 H new ATOM 0 HA PHE A 46 16.737 14.438 30.689 1.00 11.84 H new ATOM 0 HB2 PHE A 46 18.977 15.029 29.873 1.00 10.77 H new ATOM 0 HB3 PHE A 46 17.844 15.524 28.923 1.00 10.77 H new ATOM 0 HD1 PHE A 46 17.795 17.840 28.326 1.00 21.60 H new ATOM 0 HD2 PHE A 46 20.105 17.033 31.455 1.00 19.31 H new ATOM 0 HE1 PHE A 46 18.569 20.066 28.428 1.00 23.15 H new ATOM 0 HE2 PHE A 46 21.045 19.254 31.455 1.00 19.37 H new ATOM 0 HZ PHE A 46 20.250 20.811 29.944 1.00 17.89 H new ATOM 366 N LEU A 47 17.540 15.824 33.302 1.00 30.39 N ATOM 367 CA LEU A 47 18.101 15.533 34.620 1.00 15.12 C ATOM 368 C LEU A 47 16.918 14.840 35.473 1.00 24.97 C ATOM 369 O LEU A 47 17.182 14.186 36.475 1.00 19.64 O ATOM 370 CB LEU A 47 18.643 16.845 35.393 1.00 20.84 C ATOM 371 CG LEU A 47 19.813 17.708 34.642 1.00 34.53 C ATOM 372 CD1 LEU A 47 20.320 19.077 35.355 1.00 26.73 C ATOM 373 CD2 LEU A 47 20.973 16.887 34.440 1.00 31.94 C ATOM 0 H LEU A 47 17.022 16.510 33.283 1.00 30.39 H new ATOM 0 HA LEU A 47 18.875 14.957 34.516 1.00 15.12 H new ATOM 0 HB2 LEU A 47 17.889 17.434 35.556 1.00 20.84 H new ATOM 0 HB3 LEU A 47 18.979 16.569 36.260 1.00 20.84 H new ATOM 0 HG LEU A 47 19.374 17.986 33.823 1.00 34.53 H new ATOM 0 HD11 LEU A 47 21.010 19.489 34.811 1.00 26.73 H new ATOM 0 HD12 LEU A 47 19.573 19.689 35.448 1.00 26.73 H new ATOM 0 HD13 LEU A 47 20.680 18.871 36.232 1.00 26.73 H new ATOM 0 HD21 LEU A 47 21.662 17.404 33.995 1.00 31.94 H new ATOM 0 HD22 LEU A 47 21.304 16.578 35.298 1.00 31.94 H new ATOM 0 HD23 LEU A 47 20.737 16.123 33.891 1.00 31.94 H new ATOM 374 N LYS A 48 15.712 15.205 35.255 1.00 47.17 N ATOM 375 CA LYS A 48 14.522 14.592 36.025 1.00 56.33 C ATOM 376 C LYS A 48 14.469 13.052 35.977 1.00 49.17 C ATOM 377 O LYS A 48 14.423 12.431 34.882 1.00 48.63 O ATOM 378 CB LYS A 48 13.178 14.891 35.412 1.00 47.35 C ATOM 379 CG LYS A 48 12.950 16.371 35.465 0.00 0.00 C ATOM 380 CD LYS A 48 11.510 16.516 34.991 0.00 0.00 C ATOM 381 CE LYS A 48 11.214 15.997 33.555 0.00 0.00 C ATOM 382 NZ LYS A 48 9.838 16.182 33.161 0.00 0.00 N ATOM 0 H LYS A 48 15.490 15.803 34.678 1.00 47.17 H new ATOM 0 HA LYS A 48 14.668 14.972 36.906 1.00 56.33 H new ATOM 0 HB2 LYS A 48 13.149 14.578 34.494 1.00 47.35 H new ATOM 0 HB3 LYS A 48 12.477 14.424 35.893 1.00 47.35 H new ATOM 0 HG2 LYS A 48 13.069 16.720 36.362 0.00 0.00 H new ATOM 0 HG3 LYS A 48 13.567 16.850 34.890 0.00 0.00 H new ATOM 0 HD2 LYS A 48 10.934 16.044 35.612 0.00 0.00 H new ATOM 0 HD3 LYS A 48 11.266 17.454 35.034 0.00 0.00 H new ATOM 0 HE2 LYS A 48 11.790 16.457 32.925 0.00 0.00 H new ATOM 0 HE3 LYS A 48 11.435 15.054 33.505 0.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.721 15.870 32.336 0.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.306 15.741 33.722 0.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.637 17.049 33.182 0.00 0.00 H new ATOM 383 N GLY A 49 14.483 12.452 37.120 1.00 47.11 N ATOM 384 CA GLY A 49 14.188 10.983 37.134 1.00 56.90 C ATOM 385 C GLY A 49 15.476 10.374 37.268 1.00 56.73 C ATOM 386 O GLY A 49 15.416 9.261 37.869 1.00 53.76 O ATOM 0 H GLY A 49 14.647 12.816 37.882 1.00 47.11 H new ATOM 0 HA2 GLY A 49 13.604 10.745 37.871 1.00 56.90 H new ATOM 0 HA3 GLY A 49 13.745 10.702 36.318 1.00 56.90 H new ATOM 387 N THR A 50 16.594 11.182 36.907 1.00 41.16 N ATOM 388 CA THR A 50 17.910 10.753 37.145 1.00 53.92 C ATOM 389 C THR A 50 18.300 10.910 38.627 1.00 58.36 C ATOM 390 O THR A 50 17.621 11.543 39.394 1.00 54.85 O ATOM 391 CB THR A 50 19.053 11.535 36.267 1.00 42.50 C ATOM 392 OG1 THR A 50 19.422 12.843 36.810 1.00 35.28 O ATOM 393 CG2 THR A 50 18.658 11.764 34.821 1.00 37.06 C ATOM 0 H THR A 50 16.531 11.955 36.534 1.00 41.16 H new ATOM 0 HA THR A 50 17.896 9.822 36.874 1.00 53.92 H new ATOM 0 HB THR A 50 19.808 10.928 36.317 1.00 42.50 H new ATOM 0 HG1 THR A 50 18.802 13.391 36.666 1.00 35.28 H new ATOM 0 HG21 THR A 50 19.374 12.228 34.360 1.00 37.06 H new ATOM 0 HG22 THR A 50 18.497 10.910 34.390 1.00 37.06 H new ATOM 0 HG23 THR A 50 17.850 12.300 34.787 1.00 37.06 H new ATOM 394 N SER A 51 19.415 10.472 39.014 1.00 48.43 N ATOM 395 CA SER A 51 19.957 10.792 40.357 1.00 48.19 C ATOM 396 C SER A 51 21.281 11.744 40.229 1.00 63.01 C ATOM 397 O SER A 51 21.468 12.889 40.811 1.00 52.95 O ATOM 398 CB SER A 51 20.316 9.523 41.045 1.00 52.28 C ATOM 399 OG SER A 51 20.822 9.882 42.358 0.00 0.00 O ATOM 0 H SER A 51 19.925 9.970 38.537 1.00 48.43 H new ATOM 0 HA SER A 51 19.285 11.269 40.868 1.00 48.19 H new ATOM 0 HB2 SER A 51 19.542 8.943 41.122 1.00 52.28 H new ATOM 0 HB3 SER A 51 20.986 9.036 40.540 1.00 52.28 H new ATOM 0 HG SER A 51 21.034 9.185 42.777 0.00 0.00 H new ATOM 400 N GLU A 52 22.087 11.268 39.356 1.00 43.90 N ATOM 401 CA GLU A 52 23.371 12.064 38.939 1.00 46.32 C ATOM 402 C GLU A 52 23.246 12.705 37.572 1.00 48.61 C ATOM 403 O GLU A 52 22.403 12.127 36.740 1.00 36.90 O ATOM 404 CB GLU A 52 24.485 11.176 38.889 1.00 39.03 C ATOM 405 CG GLU A 52 24.789 10.607 40.264 0.00 0.00 C ATOM 406 CD GLU A 52 26.000 9.866 40.087 0.00 0.00 C ATOM 407 OE1 GLU A 52 26.806 10.197 39.137 0.00 0.00 O ATOM 408 OE2 GLU A 52 26.374 9.196 41.042 0.00 0.00 O ATOM 0 H GLU A 52 21.983 10.513 38.957 1.00 43.90 H new ATOM 0 HA GLU A 52 23.490 12.762 39.602 1.00 46.32 H new ATOM 0 HB2 GLU A 52 24.299 10.453 38.270 1.00 39.03 H new ATOM 0 HB3 GLU A 52 25.263 11.646 38.551 1.00 39.03 H new ATOM 0 HG2 GLU A 52 24.899 11.312 40.921 0.00 0.00 H new ATOM 0 HG3 GLU A 52 24.069 10.037 40.577 0.00 0.00 H new ATOM 409 N VAL A 53 24.091 13.847 37.366 1.00 24.02 N ATOM 410 CA VAL A 53 24.099 14.547 36.084 1.00 25.52 C ATOM 411 C VAL A 53 24.707 13.652 35.085 1.00 27.05 C ATOM 412 O VAL A 53 25.862 13.332 35.308 1.00 13.46 O ATOM 413 CB VAL A 53 24.940 15.998 36.184 1.00 28.04 C ATOM 414 CG1 VAL A 53 25.161 16.781 34.859 1.00 8.01 C ATOM 415 CG2 VAL A 53 24.415 16.885 37.252 1.00 20.26 C ATOM 0 H VAL A 53 24.621 14.174 37.960 1.00 24.02 H new ATOM 0 HA VAL A 53 23.191 14.770 35.825 1.00 25.52 H new ATOM 0 HB VAL A 53 25.831 15.701 36.425 1.00 28.04 H new ATOM 0 HG11 VAL A 53 25.655 17.596 35.043 1.00 8.01 H new ATOM 0 HG12 VAL A 53 25.664 16.231 34.238 1.00 8.01 H new ATOM 0 HG13 VAL A 53 24.302 17.005 34.468 1.00 8.01 H new ATOM 0 HG21 VAL A 53 24.929 17.707 37.272 1.00 20.26 H new ATOM 0 HG22 VAL A 53 23.484 17.091 37.073 1.00 20.26 H new ATOM 0 HG23 VAL A 53 24.488 16.438 38.110 1.00 20.26 H new ATOM 416 N PRO A 54 23.940 13.247 34.038 1.00 19.05 N ATOM 417 CA PRO A 54 24.400 12.475 32.936 1.00 13.83 C ATOM 418 C PRO A 54 25.709 13.114 32.275 1.00 24.94 C ATOM 419 O PRO A 54 26.018 14.372 32.127 1.00 24.17 O ATOM 420 CB PRO A 54 23.271 12.214 31.921 1.00 5.95 C ATOM 421 CG PRO A 54 22.315 13.236 32.235 1.00 16.91 C ATOM 422 CD PRO A 54 22.614 13.647 33.699 1.00 18.65 C ATOM 0 HA PRO A 54 24.668 11.605 33.271 1.00 13.83 H new ATOM 0 HB2 PRO A 54 23.586 12.285 31.006 1.00 5.95 H new ATOM 0 HB3 PRO A 54 22.894 11.326 32.023 1.00 5.95 H new ATOM 0 HG2 PRO A 54 22.403 13.993 31.635 1.00 16.91 H new ATOM 0 HG3 PRO A 54 21.408 12.906 32.143 1.00 16.91 H new ATOM 0 HD2 PRO A 54 22.518 14.607 33.803 1.00 18.65 H new ATOM 0 HD3 PRO A 54 21.976 13.231 34.300 1.00 18.65 H new ATOM 423 N GLN A 55 26.515 12.259 31.910 1.00 12.39 N ATOM 424 CA GLN A 55 27.807 12.777 31.306 1.00 16.05 C ATOM 425 C GLN A 55 27.884 12.761 29.779 1.00 14.58 C ATOM 426 O GLN A 55 28.750 13.565 29.150 1.00 25.76 O ATOM 427 CB GLN A 55 28.840 12.019 31.927 1.00 20.12 C ATOM 428 CG GLN A 55 28.543 11.891 33.430 1.00 30.26 C ATOM 429 CD GLN A 55 29.761 11.456 34.112 1.00 50.31 C ATOM 430 OE1 GLN A 55 30.881 11.671 33.516 1.00 57.64 O ATOM 431 NE2 GLN A 55 29.635 11.314 35.413 1.00 54.31 N ATOM 0 H GLN A 55 26.421 11.406 31.962 1.00 12.39 H new ATOM 0 HA GLN A 55 27.888 13.727 31.483 1.00 16.05 H new ATOM 0 HB2 GLN A 55 28.898 11.139 31.522 1.00 20.12 H new ATOM 0 HB3 GLN A 55 29.698 12.451 31.792 1.00 20.12 H new ATOM 0 HG2 GLN A 55 28.243 12.741 33.787 1.00 30.26 H new ATOM 0 HG3 GLN A 55 27.828 11.253 33.579 1.00 30.26 H new ATOM 0 HE21 GLN A 55 28.860 11.172 35.757 1.00 54.31 H new ATOM 0 HE22 GLN A 55 30.328 11.363 35.920 1.00 54.31 H new ATOM 432 N ASN A 56 27.044 11.868 29.156 1.00 11.60 N ATOM 433 CA ASN A 56 27.082 11.790 27.688 1.00 14.04 C ATOM 434 C ASN A 56 25.661 11.804 27.146 1.00 11.90 C ATOM 435 O ASN A 56 25.197 10.995 26.243 1.00 16.61 O ATOM 436 CB ASN A 56 27.592 10.454 27.216 1.00 12.15 C ATOM 437 CG ASN A 56 29.055 10.427 27.633 1.00 30.77 C ATOM 438 OD1 ASN A 56 29.306 9.983 28.780 1.00 18.99 O ATOM 439 ND2 ASN A 56 29.916 11.316 26.976 1.00 21.79 N ATOM 0 H ASN A 56 26.489 11.342 29.549 1.00 11.60 H new ATOM 0 HA ASN A 56 27.638 12.528 27.394 1.00 14.04 H new ATOM 0 HB2 ASN A 56 27.097 9.725 27.621 1.00 12.15 H new ATOM 0 HB3 ASN A 56 27.498 10.361 26.255 1.00 12.15 H new ATOM 0 HD21 ASN A 56 30.642 11.573 27.359 1.00 21.79 H new ATOM 0 HD22 ASN A 56 29.719 11.604 26.190 1.00 21.79 H new ATOM 440 N ASN A 57 25.056 12.790 27.556 1.00 10.90 N ATOM 441 CA ASN A 57 23.707 12.946 27.108 1.00 8.97 C ATOM 442 C ASN A 57 23.788 14.088 26.089 1.00 6.15 C ATOM 443 O ASN A 57 24.234 15.254 26.473 1.00 18.19 O ATOM 444 CB ASN A 57 22.862 13.275 28.336 1.00 9.76 C ATOM 445 CG ASN A 57 21.401 13.232 27.852 1.00 13.94 C ATOM 446 OD1 ASN A 57 21.103 14.256 27.276 1.00 17.15 O ATOM 447 ND2 ASN A 57 20.469 12.430 28.559 1.00 16.09 N ATOM 0 H ASN A 57 25.362 13.395 28.085 1.00 10.90 H new ATOM 0 HA ASN A 57 23.302 12.168 26.694 1.00 8.97 H new ATOM 0 HB2 ASN A 57 23.014 12.633 29.047 1.00 9.76 H new ATOM 0 HB3 ASN A 57 23.087 14.149 28.691 1.00 9.76 H new ATOM 0 HD21 ASN A 57 19.642 12.663 28.595 1.00 16.09 H new ATOM 0 HD22 ASN A 57 20.731 11.711 28.952 1.00 16.09 H new ATOM 448 N PRO A 58 23.386 13.807 24.863 1.00 18.62 N ATOM 449 CA PRO A 58 23.575 14.812 23.793 1.00 19.60 C ATOM 450 C PRO A 58 22.662 15.915 23.959 1.00 17.61 C ATOM 451 O PRO A 58 22.959 17.019 23.361 1.00 15.60 O ATOM 452 CB PRO A 58 23.266 14.013 22.473 1.00 16.38 C ATOM 453 CG PRO A 58 22.484 12.641 22.890 1.00 11.82 C ATOM 454 CD PRO A 58 22.718 12.490 24.386 1.00 22.05 C ATOM 0 HA PRO A 58 24.463 15.203 23.794 1.00 19.60 H new ATOM 0 HB2 PRO A 58 22.721 14.546 21.873 1.00 16.38 H new ATOM 0 HB3 PRO A 58 24.088 13.806 22.001 1.00 16.38 H new ATOM 0 HG2 PRO A 58 21.537 12.701 22.687 1.00 11.82 H new ATOM 0 HG3 PRO A 58 22.830 11.878 22.402 1.00 11.82 H new ATOM 0 HD2 PRO A 58 21.881 12.339 24.853 1.00 22.05 H new ATOM 0 HD3 PRO A 58 23.288 11.727 24.571 1.00 22.05 H new ATOM 455 N GLU A 59 21.560 15.651 24.707 1.00 14.34 N ATOM 456 CA GLU A 59 20.647 16.651 24.863 1.00 16.54 C ATOM 457 C GLU A 59 21.346 17.707 25.817 1.00 12.33 C ATOM 458 O GLU A 59 21.439 18.939 25.569 1.00 14.78 O ATOM 459 CB GLU A 59 19.313 16.033 25.530 1.00 11.13 C ATOM 460 CG GLU A 59 18.161 15.586 24.551 1.00 51.95 C ATOM 461 CD GLU A 59 16.828 15.735 25.255 1.00 67.33 C ATOM 462 OE1 GLU A 59 16.555 16.912 25.479 1.00 57.59 O ATOM 463 OE2 GLU A 59 16.282 14.775 25.980 1.00 55.02 O ATOM 0 H GLU A 59 21.380 14.906 25.096 1.00 14.34 H new ATOM 0 HA GLU A 59 20.383 17.069 24.028 1.00 16.54 H new ATOM 0 HB2 GLU A 59 19.571 15.264 26.062 1.00 11.13 H new ATOM 0 HB3 GLU A 59 18.949 16.692 26.142 1.00 11.13 H new ATOM 0 HG2 GLU A 59 18.177 16.127 23.746 1.00 51.95 H new ATOM 0 HG3 GLU A 59 18.294 14.665 24.276 1.00 51.95 H new ATOM 464 N LEU A 60 21.896 17.191 26.832 1.00 8.64 N ATOM 465 CA LEU A 60 22.665 18.080 27.783 1.00 9.64 C ATOM 466 C LEU A 60 23.867 18.976 27.124 1.00 12.29 C ATOM 467 O LEU A 60 24.134 20.219 27.375 1.00 13.60 O ATOM 468 CB LEU A 60 23.102 17.245 28.970 1.00 21.62 C ATOM 469 CG LEU A 60 23.913 18.034 30.117 1.00 8.70 C ATOM 470 CD1 LEU A 60 23.695 17.219 31.412 1.00 6.75 C ATOM 471 CD2 LEU A 60 25.476 18.450 29.832 1.00 7.34 C ATOM 0 H LEU A 60 21.873 16.357 27.039 1.00 8.64 H new ATOM 0 HA LEU A 60 22.059 18.778 28.076 1.00 9.64 H new ATOM 0 HB2 LEU A 60 22.314 16.845 29.371 1.00 21.62 H new ATOM 0 HB3 LEU A 60 23.657 16.518 28.647 1.00 21.62 H new ATOM 0 HG LEU A 60 23.552 18.932 30.173 1.00 8.70 H new ATOM 0 HD11 LEU A 60 24.163 17.647 32.146 1.00 6.75 H new ATOM 0 HD12 LEU A 60 22.747 17.178 31.613 1.00 6.75 H new ATOM 0 HD13 LEU A 60 24.038 16.320 31.290 1.00 6.75 H new ATOM 0 HD21 LEU A 60 25.833 18.916 30.604 1.00 7.34 H new ATOM 0 HD22 LEU A 60 25.999 17.650 29.667 1.00 7.34 H new ATOM 0 HD23 LEU A 60 25.520 19.030 29.056 1.00 7.34 H new ATOM 472 N GLN A 61 24.595 18.341 26.335 1.00 10.29 N ATOM 473 CA GLN A 61 25.794 19.010 25.662 1.00 5.50 C ATOM 474 C GLN A 61 25.506 20.068 24.669 1.00 10.81 C ATOM 475 O GLN A 61 26.255 21.210 24.721 1.00 7.42 O ATOM 476 CB GLN A 61 26.532 17.980 24.891 1.00 3.19 C ATOM 477 CG GLN A 61 27.181 17.160 25.976 1.00 4.72 C ATOM 478 CD GLN A 61 27.811 16.023 25.306 1.00 12.78 C ATOM 479 OE1 GLN A 61 28.262 15.136 26.006 1.00 16.50 O ATOM 480 NE2 GLN A 61 27.541 15.874 24.051 1.00 11.08 N ATOM 0 H GLN A 61 24.477 17.516 26.124 1.00 10.29 H new ATOM 0 HA GLN A 61 26.268 19.421 26.402 1.00 5.50 H new ATOM 0 HB2 GLN A 61 25.937 17.446 24.342 1.00 3.19 H new ATOM 0 HB3 GLN A 61 27.188 18.376 24.296 1.00 3.19 H new ATOM 0 HG2 GLN A 61 27.838 17.684 26.460 1.00 4.72 H new ATOM 0 HG3 GLN A 61 26.524 16.860 26.624 1.00 4.72 H new ATOM 0 HE21 GLN A 61 27.223 16.533 23.598 1.00 11.08 H new ATOM 0 HE22 GLN A 61 27.679 15.116 23.668 1.00 11.08 H new ATOM 481 N ALA A 62 24.422 19.688 23.901 1.00 9.44 N ATOM 482 CA ALA A 62 23.982 20.641 22.952 1.00 17.17 C ATOM 483 C ALA A 62 23.434 21.816 23.629 1.00 16.97 C ATOM 484 O ALA A 62 23.801 22.978 23.177 1.00 17.23 O ATOM 485 CB ALA A 62 22.978 19.942 21.945 1.00 10.52 C ATOM 0 H ALA A 62 23.994 18.943 23.940 1.00 9.44 H new ATOM 0 HA ALA A 62 24.724 20.972 22.422 1.00 17.17 H new ATOM 0 HB1 ALA A 62 22.672 20.590 21.291 1.00 10.52 H new ATOM 0 HB2 ALA A 62 23.430 19.213 21.491 1.00 10.52 H new ATOM 0 HB3 ALA A 62 22.217 19.594 22.436 1.00 10.52 H new ATOM 486 N HIS A 63 22.623 21.540 24.675 1.00 9.46 N ATOM 487 CA HIS A 63 22.115 22.620 25.417 1.00 12.63 C ATOM 488 C HIS A 63 23.298 23.659 25.990 1.00 17.27 C ATOM 489 O HIS A 63 23.369 24.915 25.803 1.00 13.78 O ATOM 490 CB HIS A 63 21.241 21.943 26.577 1.00 4.96 C ATOM 491 CG HIS A 63 20.752 23.014 27.518 1.00 15.26 C ATOM 492 ND1 HIS A 63 19.444 23.272 27.510 1.00 26.08 N ATOM 493 CD2 HIS A 63 21.408 23.773 28.489 1.00 23.59 C ATOM 494 CE1 HIS A 63 19.311 24.188 28.512 1.00 21.39 C ATOM 495 NE2 HIS A 63 20.563 24.521 29.107 1.00 14.09 N ATOM 0 H HIS A 63 22.384 20.756 24.934 1.00 9.46 H new ATOM 0 HA HIS A 63 21.578 23.208 24.863 1.00 12.63 H new ATOM 0 HB2 HIS A 63 20.488 21.466 26.193 1.00 4.96 H new ATOM 0 HB3 HIS A 63 21.773 21.292 27.060 1.00 4.96 H new ATOM 0 HD2 HIS A 63 22.321 23.742 28.663 1.00 23.59 H new ATOM 0 HE1 HIS A 63 18.498 24.553 28.776 1.00 21.39 H new ATOM 0 HE2 HIS A 63 20.718 25.090 29.733 1.00 14.09 H new ATOM 496 N ALA A 64 24.143 23.146 26.799 1.00 14.83 N ATOM 497 CA ALA A 64 25.300 23.955 27.496 1.00 12.57 C ATOM 498 C ALA A 64 26.341 24.714 26.525 1.00 12.87 C ATOM 499 O ALA A 64 26.784 25.935 26.734 1.00 15.73 O ATOM 500 CB ALA A 64 25.993 23.133 28.532 1.00 5.07 C ATOM 0 H ALA A 64 24.132 22.314 27.016 1.00 14.83 H new ATOM 0 HA ALA A 64 24.837 24.689 27.929 1.00 12.57 H new ATOM 0 HB1 ALA A 64 26.699 23.657 28.942 1.00 5.07 H new ATOM 0 HB2 ALA A 64 25.355 22.863 29.211 1.00 5.07 H new ATOM 0 HB3 ALA A 64 26.376 22.345 28.117 1.00 5.07 H new ATOM 501 N GLY A 65 26.603 24.090 25.395 1.00 9.58 N ATOM 502 CA GLY A 65 27.439 24.786 24.338 1.00 12.57 C ATOM 503 C GLY A 65 26.834 25.988 23.741 1.00 34.88 C ATOM 504 O GLY A 65 27.654 27.046 23.509 1.00 17.39 O ATOM 0 H GLY A 65 26.335 23.298 25.193 1.00 9.58 H new ATOM 0 HA2 GLY A 65 28.290 25.033 24.732 1.00 12.57 H new ATOM 0 HA3 GLY A 65 27.628 24.152 23.629 1.00 12.57 H new ATOM 505 N LYS A 66 25.469 25.897 23.561 1.00 22.61 N ATOM 506 CA LYS A 66 24.803 27.011 23.017 1.00 7.88 C ATOM 507 C LYS A 66 24.898 28.176 24.013 1.00 13.50 C ATOM 508 O LYS A 66 24.931 29.373 23.584 1.00 18.45 O ATOM 509 CB LYS A 66 23.273 26.603 22.733 1.00 13.69 C ATOM 510 CG LYS A 66 23.020 25.551 21.602 1.00 56.29 C ATOM 511 CD LYS A 66 21.542 24.803 21.583 1.00 60.26 C ATOM 512 CE LYS A 66 20.535 25.708 21.074 1.00 63.51 C ATOM 513 NZ LYS A 66 19.196 24.901 20.865 0.00 0.00 N ATOM 0 H LYS A 66 24.979 25.216 23.752 1.00 22.61 H new ATOM 0 HA LYS A 66 25.208 27.290 22.181 1.00 7.88 H new ATOM 0 HB2 LYS A 66 22.895 26.258 23.557 1.00 13.69 H new ATOM 0 HB3 LYS A 66 22.782 27.409 22.511 1.00 13.69 H new ATOM 0 HG2 LYS A 66 23.145 25.992 20.747 1.00 56.29 H new ATOM 0 HG3 LYS A 66 23.703 24.866 21.670 1.00 56.29 H new ATOM 0 HD2 LYS A 66 21.581 24.007 21.030 1.00 60.26 H new ATOM 0 HD3 LYS A 66 21.306 24.515 22.479 1.00 60.26 H new ATOM 0 HE2 LYS A 66 20.394 26.439 21.695 1.00 63.51 H new ATOM 0 HE3 LYS A 66 20.827 26.100 20.236 1.00 63.51 H new ATOM 0 HZ1 LYS A 66 18.566 25.446 20.552 0.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.334 24.242 20.283 0.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.931 24.559 21.643 0.00 0.00 H new ATOM 514 N VAL A 67 24.739 27.784 25.297 1.00 10.56 N ATOM 515 CA VAL A 67 24.879 28.835 26.392 1.00 16.41 C ATOM 516 C VAL A 67 26.228 29.781 26.336 1.00 13.73 C ATOM 517 O VAL A 67 26.296 31.048 26.174 1.00 16.02 O ATOM 518 CB VAL A 67 24.706 28.249 27.835 1.00 20.01 C ATOM 519 CG1 VAL A 67 25.006 29.404 28.885 1.00 13.27 C ATOM 520 CG2 VAL A 67 23.262 27.442 28.069 1.00 20.57 C ATOM 0 H VAL A 67 24.563 26.984 25.560 1.00 10.56 H new ATOM 0 HA VAL A 67 24.136 29.425 26.189 1.00 16.41 H new ATOM 0 HB VAL A 67 25.354 27.541 27.973 1.00 20.01 H new ATOM 0 HG11 VAL A 67 24.903 29.058 29.785 1.00 13.27 H new ATOM 0 HG12 VAL A 67 25.914 29.724 28.764 1.00 13.27 H new ATOM 0 HG13 VAL A 67 24.384 30.136 28.748 1.00 13.27 H new ATOM 0 HG21 VAL A 67 23.222 27.107 28.979 1.00 20.57 H new ATOM 0 HG22 VAL A 67 22.522 28.051 27.916 1.00 20.57 H new ATOM 0 HG23 VAL A 67 23.202 26.699 27.449 1.00 20.57 H new ATOM 521 N PHE A 68 27.277 29.137 26.215 1.00 12.17 N ATOM 522 CA PHE A 68 28.674 29.895 26.185 1.00 9.71 C ATOM 523 C PHE A 68 29.010 30.658 24.881 1.00 10.49 C ATOM 524 O PHE A 68 29.666 31.831 24.901 1.00 21.67 O ATOM 525 CB PHE A 68 29.709 28.940 26.396 1.00 3.30 C ATOM 526 CG PHE A 68 29.848 28.583 27.880 1.00 18.37 C ATOM 527 CD1 PHE A 68 30.957 29.198 28.585 1.00 15.39 C ATOM 528 CD2 PHE A 68 28.887 27.636 28.499 1.00 10.04 C ATOM 529 CE1 PHE A 68 31.118 28.899 29.936 1.00 9.34 C ATOM 530 CE2 PHE A 68 29.041 27.311 29.847 1.00 10.22 C ATOM 531 CZ PHE A 68 30.155 27.939 30.561 1.00 20.61 C ATOM 0 H PHE A 68 27.323 28.281 26.143 1.00 12.17 H new ATOM 0 HA PHE A 68 28.607 30.568 26.880 1.00 9.71 H new ATOM 0 HB2 PHE A 68 29.520 28.137 25.885 1.00 3.30 H new ATOM 0 HB3 PHE A 68 30.550 29.294 26.067 1.00 3.30 H new ATOM 0 HD1 PHE A 68 31.542 29.774 28.148 1.00 15.39 H new ATOM 0 HD2 PHE A 68 28.196 27.267 27.998 1.00 10.04 H new ATOM 0 HE1 PHE A 68 31.803 29.284 30.434 1.00 9.34 H new ATOM 0 HE2 PHE A 68 28.462 26.722 30.273 1.00 10.22 H new ATOM 0 HZ PHE A 68 30.271 27.728 31.459 1.00 20.61 H new ATOM 532 N LYS A 69 28.432 30.086 23.825 1.00 6.85 N ATOM 533 CA LYS A 69 28.634 30.729 22.548 1.00 5.76 C ATOM 534 C LYS A 69 27.986 32.004 22.469 1.00 7.57 C ATOM 535 O LYS A 69 28.605 32.973 21.824 1.00 13.46 O ATOM 536 CB LYS A 69 28.092 29.796 21.378 1.00 11.72 C ATOM 537 CG LYS A 69 28.714 30.351 20.023 1.00 14.40 C ATOM 538 CD LYS A 69 27.824 29.780 18.854 1.00 43.70 C ATOM 539 CE LYS A 69 26.374 30.153 19.017 1.00 61.76 C ATOM 540 NZ LYS A 69 25.586 29.835 17.789 0.00 0.00 N ATOM 0 H LYS A 69 27.951 29.373 23.828 1.00 6.85 H new ATOM 0 HA LYS A 69 29.588 30.874 22.452 1.00 5.76 H new ATOM 0 HB2 LYS A 69 28.354 28.873 21.524 1.00 11.72 H new ATOM 0 HB3 LYS A 69 27.123 29.814 21.345 1.00 11.72 H new ATOM 0 HG2 LYS A 69 28.713 31.321 20.015 1.00 14.40 H new ATOM 0 HG3 LYS A 69 29.636 30.067 19.925 1.00 14.40 H new ATOM 0 HD2 LYS A 69 28.151 30.117 18.005 1.00 43.70 H new ATOM 0 HD3 LYS A 69 27.908 28.814 18.827 1.00 43.70 H new ATOM 0 HE2 LYS A 69 26.000 29.678 19.775 1.00 61.76 H new ATOM 0 HE3 LYS A 69 26.302 31.100 19.213 1.00 61.76 H new ATOM 0 HZ1 LYS A 69 24.735 30.065 17.914 0.00 0.00 H new ATOM 0 HZ2 LYS A 69 25.917 30.288 17.098 0.00 0.00 H new ATOM 0 HZ3 LYS A 69 25.635 28.962 17.622 0.00 0.00 H new ATOM 541 N LEU A 70 26.803 31.986 23.070 1.00 7.00 N ATOM 542 CA LEU A 70 26.061 33.147 23.100 1.00 14.46 C ATOM 543 C LEU A 70 26.785 34.298 23.973 1.00 17.78 C ATOM 544 O LEU A 70 26.914 35.487 23.532 1.00 14.41 O ATOM 545 CB LEU A 70 24.595 32.773 23.592 1.00 8.38 C ATOM 546 CG LEU A 70 23.678 32.001 22.524 1.00 11.65 C ATOM 547 CD1 LEU A 70 22.291 31.481 23.142 1.00 20.30 C ATOM 548 CD2 LEU A 70 23.494 32.934 21.320 1.00 17.22 C ATOM 0 H LEU A 70 26.447 31.303 23.452 1.00 7.00 H new ATOM 0 HA LEU A 70 25.992 33.538 22.215 1.00 14.46 H new ATOM 0 HB2 LEU A 70 24.669 32.223 24.387 1.00 8.38 H new ATOM 0 HB3 LEU A 70 24.141 33.590 23.853 1.00 8.38 H new ATOM 0 HG LEU A 70 24.119 31.185 22.241 1.00 11.65 H new ATOM 0 HD11 LEU A 70 21.781 31.025 22.455 1.00 20.30 H new ATOM 0 HD12 LEU A 70 22.471 30.867 23.871 1.00 20.30 H new ATOM 0 HD13 LEU A 70 21.781 32.236 23.474 1.00 20.30 H new ATOM 0 HD21 LEU A 70 22.942 32.497 20.653 1.00 17.22 H new ATOM 0 HD22 LEU A 70 23.063 33.754 21.608 1.00 17.22 H new ATOM 0 HD23 LEU A 70 24.360 33.142 20.936 1.00 17.22 H new ATOM 549 N VAL A 71 27.320 33.927 25.105 1.00 8.43 N ATOM 550 CA VAL A 71 28.179 34.938 25.939 1.00 9.60 C ATOM 551 C VAL A 71 29.463 35.646 25.247 1.00 23.95 C ATOM 552 O VAL A 71 29.751 36.914 25.172 1.00 14.28 O ATOM 553 CB VAL A 71 28.444 34.424 27.342 1.00 12.38 C ATOM 554 CG1 VAL A 71 29.390 35.531 28.138 1.00 9.17 C ATOM 555 CG2 VAL A 71 27.068 33.999 28.084 1.00 4.44 C ATOM 0 H VAL A 71 27.241 33.143 25.451 1.00 8.43 H new ATOM 0 HA VAL A 71 27.591 35.708 25.987 1.00 9.60 H new ATOM 0 HB VAL A 71 28.949 33.596 27.327 1.00 12.38 H new ATOM 0 HG11 VAL A 71 29.569 35.217 29.038 1.00 9.17 H new ATOM 0 HG12 VAL A 71 30.228 35.642 27.662 1.00 9.17 H new ATOM 0 HG13 VAL A 71 28.927 36.382 28.179 1.00 9.17 H new ATOM 0 HG21 VAL A 71 27.268 33.675 28.976 1.00 4.44 H new ATOM 0 HG22 VAL A 71 26.481 34.769 28.144 1.00 4.44 H new ATOM 0 HG23 VAL A 71 26.630 33.298 27.577 1.00 4.44 H new ATOM 556 N TYR A 72 30.092 34.838 24.515 1.00 18.59 N ATOM 557 CA TYR A 72 31.273 35.304 23.655 1.00 15.24 C ATOM 558 C TYR A 72 30.965 36.190 22.480 1.00 15.62 C ATOM 559 O TYR A 72 31.742 37.272 22.233 1.00 20.09 O ATOM 560 CB TYR A 72 31.949 34.038 23.250 1.00 11.38 C ATOM 561 CG TYR A 72 32.726 34.209 21.915 1.00 4.64 C ATOM 562 CD1 TYR A 72 32.142 33.592 20.786 1.00 20.64 C ATOM 563 CD2 TYR A 72 33.947 35.062 21.824 1.00 8.42 C ATOM 564 CE1 TYR A 72 32.782 33.806 19.567 1.00 23.26 C ATOM 565 CE2 TYR A 72 34.599 35.278 20.611 1.00 14.00 C ATOM 566 CZ TYR A 72 34.022 34.629 19.487 1.00 15.69 C ATOM 567 OH TYR A 72 34.656 34.875 18.224 1.00 30.03 O ATOM 0 H TYR A 72 29.909 34.000 24.450 1.00 18.59 H new ATOM 0 HA TYR A 72 31.828 35.903 24.178 1.00 15.24 H new ATOM 0 HB2 TYR A 72 32.561 33.759 23.949 1.00 11.38 H new ATOM 0 HB3 TYR A 72 31.289 33.334 23.154 1.00 11.38 H new ATOM 0 HD1 TYR A 72 31.374 33.072 20.853 1.00 20.64 H new ATOM 0 HD2 TYR A 72 34.281 35.459 22.596 1.00 8.42 H new ATOM 0 HE1 TYR A 72 32.431 33.430 18.792 1.00 23.26 H new ATOM 0 HE2 TYR A 72 35.359 35.810 20.542 1.00 14.00 H new ATOM 0 HH TYR A 72 35.338 35.352 18.341 1.00 30.03 H new ATOM 568 N GLU A 73 29.835 35.808 21.802 1.00 12.57 N ATOM 569 CA GLU A 73 29.463 36.629 20.700 1.00 14.66 C ATOM 570 C GLU A 73 29.087 37.973 21.186 1.00 11.32 C ATOM 571 O GLU A 73 29.440 38.990 20.459 1.00 15.96 O ATOM 572 CB GLU A 73 28.269 35.840 19.949 1.00 15.74 C ATOM 573 CG GLU A 73 28.702 34.634 19.198 1.00 26.38 C ATOM 574 CD GLU A 73 27.504 33.930 18.366 1.00 46.25 C ATOM 575 OE1 GLU A 73 27.758 33.100 17.497 1.00 37.21 O ATOM 576 OE2 GLU A 73 26.283 34.090 18.581 1.00 38.52 O ATOM 0 H GLU A 73 29.334 35.130 21.973 1.00 12.57 H new ATOM 0 HA GLU A 73 30.185 36.782 20.070 1.00 14.66 H new ATOM 0 HB2 GLU A 73 27.607 35.576 20.607 1.00 15.74 H new ATOM 0 HB3 GLU A 73 27.831 36.449 19.334 1.00 15.74 H new ATOM 0 HG2 GLU A 73 29.411 34.881 18.584 1.00 26.38 H new ATOM 0 HG3 GLU A 73 29.076 33.991 19.820 1.00 26.38 H new ATOM 577 N ALA A 74 28.495 37.963 22.395 1.00 6.16 N ATOM 578 CA ALA A 74 28.119 39.181 23.029 1.00 13.63 C ATOM 579 C ALA A 74 29.380 40.221 23.262 1.00 13.56 C ATOM 580 O ALA A 74 29.412 41.469 23.083 1.00 11.27 O ATOM 581 CB ALA A 74 27.488 38.810 24.413 1.00 14.47 C ATOM 0 H ALA A 74 28.314 37.251 22.842 1.00 6.16 H new ATOM 0 HA ALA A 74 27.494 39.644 22.449 1.00 13.63 H new ATOM 0 HB1 ALA A 74 27.219 39.620 24.874 1.00 14.47 H new ATOM 0 HB2 ALA A 74 26.712 38.245 24.274 1.00 14.47 H new ATOM 0 HB3 ALA A 74 28.141 38.335 24.950 1.00 14.47 H new ATOM 582 N ALA A 75 30.394 39.670 23.696 1.00 12.58 N ATOM 583 CA ALA A 75 31.703 40.473 23.987 1.00 7.74 C ATOM 584 C ALA A 75 32.421 41.143 22.767 1.00 7.38 C ATOM 585 O ALA A 75 33.008 42.351 22.828 1.00 17.66 O ATOM 586 CB ALA A 75 32.662 39.636 24.692 1.00 6.71 C ATOM 0 H ALA A 75 30.449 38.828 23.864 1.00 12.58 H new ATOM 0 HA ALA A 75 31.389 41.215 24.527 1.00 7.74 H new ATOM 0 HB1 ALA A 75 33.469 40.145 24.867 1.00 6.71 H new ATOM 0 HB2 ALA A 75 32.278 39.341 25.533 1.00 6.71 H new ATOM 0 HB3 ALA A 75 32.879 38.863 24.147 1.00 6.71 H new ATOM 587 N ILE A 76 32.308 40.436 21.684 1.00 16.84 N ATOM 588 CA ILE A 76 32.861 41.038 20.417 1.00 11.10 C ATOM 589 C ILE A 76 32.000 42.054 19.878 1.00 24.17 C ATOM 590 O ILE A 76 32.587 43.209 19.533 1.00 13.47 O ATOM 591 CB ILE A 76 32.957 39.906 19.381 1.00 16.73 C ATOM 592 CG1 ILE A 76 33.725 38.781 19.952 1.00 12.54 C ATOM 593 CG2 ILE A 76 33.489 40.453 18.007 1.00 10.82 C ATOM 594 CD1 ILE A 76 35.228 39.274 20.238 1.00 10.64 C ATOM 0 H ILE A 76 31.949 39.658 21.617 1.00 16.84 H new ATOM 0 HA ILE A 76 33.719 41.445 20.615 1.00 11.10 H new ATOM 0 HB ILE A 76 32.078 39.550 19.176 1.00 16.73 H new ATOM 0 HG12 ILE A 76 33.310 38.473 20.773 1.00 12.54 H new ATOM 0 HG13 ILE A 76 33.729 38.030 19.338 1.00 12.54 H new ATOM 0 HG21 ILE A 76 33.543 39.725 17.368 1.00 10.82 H new ATOM 0 HG22 ILE A 76 32.883 41.133 17.673 1.00 10.82 H new ATOM 0 HG23 ILE A 76 34.370 40.839 18.131 1.00 10.82 H new ATOM 0 HD11 ILE A 76 35.743 38.543 20.614 1.00 10.64 H new ATOM 0 HD12 ILE A 76 35.637 39.564 19.408 1.00 10.64 H new ATOM 0 HD13 ILE A 76 35.212 40.014 20.865 1.00 10.64 H new ATOM 595 N GLN A 77 30.651 41.707 19.992 1.00 4.96 N ATOM 596 CA GLN A 77 29.808 42.682 19.539 1.00 5.55 C ATOM 597 C GLN A 77 30.015 43.956 20.403 1.00 10.35 C ATOM 598 O GLN A 77 30.183 45.080 19.851 1.00 17.62 O ATOM 599 CB GLN A 77 28.312 41.980 19.453 1.00 10.70 C ATOM 600 CG GLN A 77 27.416 42.890 18.762 1.00 17.12 C ATOM 601 CD GLN A 77 26.104 41.959 18.476 1.00 23.74 C ATOM 602 OE1 GLN A 77 25.790 41.630 17.294 1.00 21.88 O ATOM 603 NE2 GLN A 77 25.429 41.574 19.555 1.00 7.41 N ATOM 0 H GLN A 77 30.310 40.981 20.302 1.00 4.96 H new ATOM 0 HA GLN A 77 29.972 43.022 18.645 1.00 5.55 H new ATOM 0 HB2 GLN A 77 28.363 41.134 18.981 1.00 10.70 H new ATOM 0 HB3 GLN A 77 27.978 41.789 20.343 1.00 10.70 H new ATOM 0 HG2 GLN A 77 27.197 43.662 19.306 1.00 17.12 H new ATOM 0 HG3 GLN A 77 27.806 43.224 17.939 1.00 17.12 H new ATOM 0 HE21 GLN A 77 25.686 41.827 20.336 1.00 7.41 H new ATOM 0 HE22 GLN A 77 24.735 41.072 19.472 1.00 7.41 H new ATOM 604 N LEU A 78 30.263 43.844 21.697 1.00 12.89 N ATOM 605 CA LEU A 78 30.541 45.076 22.548 1.00 13.22 C ATOM 606 C LEU A 78 31.874 45.969 22.204 1.00 9.98 C ATOM 607 O LEU A 78 31.946 47.218 22.020 1.00 20.01 O ATOM 608 CB LEU A 78 30.690 44.655 24.015 1.00 11.87 C ATOM 609 CG LEU A 78 29.358 44.362 24.749 1.00 14.70 C ATOM 610 CD1 LEU A 78 29.615 43.583 26.013 1.00 17.00 C ATOM 611 CD2 LEU A 78 28.816 45.683 25.078 1.00 4.99 C ATOM 0 H LEU A 78 30.283 43.098 22.125 1.00 12.89 H new ATOM 0 HA LEU A 78 29.778 45.642 22.351 1.00 13.22 H new ATOM 0 HB2 LEU A 78 31.247 43.862 24.055 1.00 11.87 H new ATOM 0 HB3 LEU A 78 31.160 45.356 24.493 1.00 11.87 H new ATOM 0 HG LEU A 78 28.751 43.835 24.207 1.00 14.70 H new ATOM 0 HD11 LEU A 78 28.773 43.407 26.462 1.00 17.00 H new ATOM 0 HD12 LEU A 78 30.046 42.742 25.793 1.00 17.00 H new ATOM 0 HD13 LEU A 78 30.192 44.098 26.599 1.00 17.00 H new ATOM 0 HD21 LEU A 78 27.972 45.580 25.545 1.00 4.99 H new ATOM 0 HD22 LEU A 78 29.443 46.158 25.646 1.00 4.99 H new ATOM 0 HD23 LEU A 78 28.674 46.187 24.262 1.00 4.99 H new ATOM 612 N GLU A 79 32.843 45.314 21.851 1.00 12.18 N ATOM 613 CA GLU A 79 34.172 46.003 21.424 1.00 6.01 C ATOM 614 C GLU A 79 34.188 46.612 20.033 1.00 12.12 C ATOM 615 O GLU A 79 34.707 47.824 19.921 1.00 20.47 O ATOM 616 CB GLU A 79 35.249 45.059 21.485 1.00 17.01 C ATOM 617 CG GLU A 79 36.728 45.801 21.278 1.00 10.86 C ATOM 618 CD GLU A 79 37.238 45.579 19.859 1.00 30.80 C ATOM 619 OE1 GLU A 79 36.867 44.468 19.253 1.00 34.05 O ATOM 620 OE2 GLU A 79 37.641 46.625 19.172 1.00 34.80 O ATOM 0 H GLU A 79 32.858 44.455 21.815 1.00 12.18 H new ATOM 0 HA GLU A 79 34.268 46.736 22.052 1.00 6.01 H new ATOM 0 HB2 GLU A 79 35.232 44.603 22.341 1.00 17.01 H new ATOM 0 HB3 GLU A 79 35.127 44.383 20.800 1.00 17.01 H new ATOM 0 HG2 GLU A 79 36.647 46.751 21.454 1.00 10.86 H new ATOM 0 HG3 GLU A 79 37.366 45.447 21.917 1.00 10.86 H new ATOM 621 N VAL A 80 33.475 45.924 19.095 1.00 8.52 N ATOM 622 CA VAL A 80 33.295 46.515 17.769 1.00 17.93 C ATOM 623 C VAL A 80 32.410 47.643 17.745 1.00 25.28 C ATOM 624 O VAL A 80 32.705 48.571 16.905 1.00 23.46 O ATOM 625 CB VAL A 80 32.723 45.365 16.810 1.00 4.79 C ATOM 626 CG1 VAL A 80 32.539 45.901 15.382 1.00 12.29 C ATOM 627 CG2 VAL A 80 33.850 44.469 16.754 1.00 13.12 C ATOM 0 H VAL A 80 33.111 45.154 19.213 1.00 8.52 H new ATOM 0 HA VAL A 80 34.155 46.853 17.474 1.00 17.93 H new ATOM 0 HB VAL A 80 31.879 44.997 17.116 1.00 4.79 H new ATOM 0 HG11 VAL A 80 32.193 45.195 14.813 1.00 12.29 H new ATOM 0 HG12 VAL A 80 31.914 46.643 15.393 1.00 12.29 H new ATOM 0 HG13 VAL A 80 33.394 46.204 15.037 1.00 12.29 H new ATOM 0 HG21 VAL A 80 33.632 43.710 16.191 1.00 13.12 H new ATOM 0 HG22 VAL A 80 34.616 44.935 16.385 1.00 13.12 H new ATOM 0 HG23 VAL A 80 34.061 44.158 17.648 1.00 13.12 H new ATOM 628 N THR A 81 31.221 47.381 18.358 1.00 11.21 N ATOM 629 CA THR A 81 30.103 48.093 18.034 1.00 12.30 C ATOM 630 C THR A 81 29.896 49.038 19.169 1.00 4.89 C ATOM 631 O THR A 81 29.209 49.953 18.947 1.00 19.50 O ATOM 632 CB THR A 81 28.777 47.142 17.683 1.00 7.33 C ATOM 633 OG1 THR A 81 28.245 46.378 18.791 1.00 16.16 O ATOM 634 CG2 THR A 81 28.874 46.130 16.539 1.00 11.12 C ATOM 0 H THR A 81 31.105 46.778 18.960 1.00 11.21 H new ATOM 0 HA THR A 81 30.223 48.577 17.202 1.00 12.30 H new ATOM 0 HB THR A 81 28.199 47.873 17.414 1.00 7.33 H new ATOM 0 HG1 THR A 81 28.875 46.007 19.204 1.00 16.16 H new ATOM 0 HG21 THR A 81 28.033 45.655 16.455 1.00 11.12 H new ATOM 0 HG22 THR A 81 29.066 46.596 15.710 1.00 11.12 H new ATOM 0 HG23 THR A 81 29.585 45.497 16.726 1.00 11.12 H new ATOM 635 N GLY A 82 30.196 48.610 20.362 1.00 10.40 N ATOM 636 CA GLY A 82 29.885 49.262 21.625 1.00 9.63 C ATOM 637 C GLY A 82 28.610 48.646 22.368 1.00 10.25 C ATOM 638 O GLY A 82 28.246 49.152 23.437 1.00 16.46 O ATOM 0 H GLY A 82 30.621 47.872 20.478 1.00 10.40 H new ATOM 0 HA2 GLY A 82 30.655 49.197 22.212 1.00 9.63 H new ATOM 0 HA3 GLY A 82 29.731 50.206 21.463 1.00 9.63 H new ATOM 639 N VAL A 83 27.822 47.708 21.742 1.00 14.94 N ATOM 640 CA VAL A 83 26.538 47.126 22.344 1.00 20.27 C ATOM 641 C VAL A 83 26.381 45.563 22.286 1.00 15.65 C ATOM 642 O VAL A 83 26.913 45.001 21.344 1.00 18.30 O ATOM 643 CB VAL A 83 25.332 47.702 21.641 1.00 10.16 C ATOM 644 CG1 VAL A 83 25.441 49.241 21.764 1.00 12.92 C ATOM 645 CG2 VAL A 83 25.104 47.254 20.156 1.00 14.85 C ATOM 0 H VAL A 83 28.007 47.389 20.965 1.00 14.94 H new ATOM 0 HA VAL A 83 26.602 47.370 23.281 1.00 20.27 H new ATOM 0 HB VAL A 83 24.544 47.346 22.079 1.00 10.16 H new ATOM 0 HG11 VAL A 83 24.683 49.656 21.324 1.00 12.92 H new ATOM 0 HG12 VAL A 83 25.447 49.491 22.701 1.00 12.92 H new ATOM 0 HG13 VAL A 83 26.262 49.542 21.344 1.00 12.92 H new ATOM 0 HG21 VAL A 83 24.307 47.683 19.807 1.00 14.85 H new ATOM 0 HG22 VAL A 83 25.870 47.511 19.619 1.00 14.85 H new ATOM 0 HG23 VAL A 83 24.994 46.291 20.122 1.00 14.85 H new ATOM 646 N VAL A 84 25.350 44.890 22.931 1.00 18.99 N ATOM 647 CA VAL A 84 24.661 43.504 22.524 1.00 16.73 C ATOM 648 C VAL A 84 23.314 43.600 21.817 1.00 4.56 C ATOM 649 O VAL A 84 22.457 44.218 22.388 1.00 18.27 O ATOM 650 CB VAL A 84 24.354 42.599 23.782 1.00 19.70 C ATOM 651 CG1 VAL A 84 23.626 41.182 23.473 1.00 12.01 C ATOM 652 CG2 VAL A 84 25.627 42.439 24.566 1.00 17.41 C ATOM 0 H VAL A 84 24.998 45.214 23.646 1.00 18.99 H new ATOM 0 HA VAL A 84 25.327 43.138 21.921 1.00 16.73 H new ATOM 0 HB VAL A 84 23.683 43.060 24.309 1.00 19.70 H new ATOM 0 HG11 VAL A 84 23.482 40.704 24.305 1.00 12.01 H new ATOM 0 HG12 VAL A 84 22.772 41.344 23.041 1.00 12.01 H new ATOM 0 HG13 VAL A 84 24.188 40.650 22.888 1.00 12.01 H new ATOM 0 HG21 VAL A 84 25.460 41.885 25.345 1.00 17.41 H new ATOM 0 HG22 VAL A 84 26.300 42.018 24.008 1.00 17.41 H new ATOM 0 HG23 VAL A 84 25.943 43.310 24.851 1.00 17.41 H new ATOM 653 N VAL A 85 23.234 43.176 20.536 1.00 12.18 N ATOM 654 CA VAL A 85 22.031 43.208 19.652 1.00 18.80 C ATOM 655 C VAL A 85 20.869 42.082 19.987 1.00 17.62 C ATOM 656 O VAL A 85 21.055 40.878 19.854 1.00 19.67 O ATOM 657 CB VAL A 85 22.418 43.136 18.162 1.00 18.33 C ATOM 658 CG1 VAL A 85 21.242 43.145 17.146 1.00 19.31 C ATOM 659 CG2 VAL A 85 23.589 44.296 17.864 1.00 30.55 C ATOM 0 H VAL A 85 23.917 42.843 20.134 1.00 12.18 H new ATOM 0 HA VAL A 85 21.626 44.067 19.849 1.00 18.80 H new ATOM 0 HB VAL A 85 22.784 42.252 18.002 1.00 18.33 H new ATOM 0 HG11 VAL A 85 21.594 43.097 16.243 1.00 19.31 H new ATOM 0 HG12 VAL A 85 20.667 42.381 17.310 1.00 19.31 H new ATOM 0 HG13 VAL A 85 20.731 43.963 17.250 1.00 19.31 H new ATOM 0 HG21 VAL A 85 23.845 44.265 16.929 1.00 30.55 H new ATOM 0 HG22 VAL A 85 23.235 45.175 18.073 1.00 30.55 H new ATOM 0 HG23 VAL A 85 24.366 44.121 18.417 1.00 30.55 H new ATOM 660 N THR A 86 19.693 42.428 20.305 1.00 25.00 N ATOM 661 CA THR A 86 18.532 41.364 20.568 1.00 34.69 C ATOM 662 C THR A 86 17.891 40.846 19.269 1.00 24.77 C ATOM 663 O THR A 86 17.381 41.668 18.547 1.00 39.99 O ATOM 664 CB THR A 86 17.408 41.920 21.343 1.00 49.57 C ATOM 665 OG1 THR A 86 17.972 42.827 22.371 1.00 40.42 O ATOM 666 CG2 THR A 86 16.292 40.762 21.840 1.00 40.10 C ATOM 0 H THR A 86 19.447 43.247 20.399 1.00 25.00 H new ATOM 0 HA THR A 86 18.985 40.656 21.052 1.00 34.69 H new ATOM 0 HB THR A 86 16.831 42.465 20.786 1.00 49.57 H new ATOM 0 HG1 THR A 86 17.348 43.158 22.826 1.00 40.42 H new ATOM 0 HG21 THR A 86 15.582 41.191 22.342 1.00 40.10 H new ATOM 0 HG22 THR A 86 15.916 40.320 21.063 1.00 40.10 H new ATOM 0 HG23 THR A 86 16.734 40.107 22.402 1.00 40.10 H new ATOM 667 N ASP A 87 18.047 39.607 18.937 1.00 26.12 N ATOM 668 CA ASP A 87 17.429 39.032 17.697 1.00 20.91 C ATOM 669 C ASP A 87 16.249 37.868 17.898 1.00 32.42 C ATOM 670 O ASP A 87 15.724 37.713 19.048 1.00 28.77 O ATOM 671 CB ASP A 87 18.509 38.666 16.750 1.00 16.97 C ATOM 672 CG ASP A 87 18.960 37.371 17.240 1.00 40.28 C ATOM 673 OD1 ASP A 87 18.766 37.026 18.447 1.00 41.95 O ATOM 674 OD2 ASP A 87 19.930 36.988 16.621 1.00 40.48 O ATOM 0 H ASP A 87 18.506 39.043 19.396 1.00 26.12 H new ATOM 0 HA ASP A 87 16.885 39.736 17.310 1.00 20.91 H new ATOM 0 HB2 ASP A 87 18.182 38.610 15.839 1.00 16.97 H new ATOM 0 HB3 ASP A 87 19.226 39.320 16.754 1.00 16.97 H new ATOM 675 N ALA A 88 15.807 37.130 16.822 1.00 27.81 N ATOM 676 CA ALA A 88 14.624 36.066 16.991 1.00 44.07 C ATOM 677 C ALA A 88 14.872 34.946 17.965 1.00 44.83 C ATOM 678 O ALA A 88 14.003 34.493 18.825 1.00 40.29 O ATOM 679 CB ALA A 88 14.122 35.421 15.671 1.00 40.08 C ATOM 0 H ALA A 88 16.126 37.192 16.026 1.00 27.81 H new ATOM 0 HA ALA A 88 13.939 36.649 17.355 1.00 44.07 H new ATOM 0 HB1 ALA A 88 13.409 34.793 15.868 1.00 40.08 H new ATOM 0 HB2 ALA A 88 13.788 36.113 15.079 1.00 40.08 H new ATOM 0 HB3 ALA A 88 14.854 34.953 15.240 1.00 40.08 H new ATOM 680 N THR A 89 16.091 34.647 17.908 1.00 25.48 N ATOM 681 CA THR A 89 16.558 33.655 18.797 1.00 41.71 C ATOM 682 C THR A 89 16.515 33.996 20.278 1.00 33.22 C ATOM 683 O THR A 89 16.035 33.144 21.145 1.00 30.69 O ATOM 684 CB THR A 89 18.020 33.620 18.402 1.00 43.53 C ATOM 685 OG1 THR A 89 17.966 33.157 17.037 1.00 50.76 O ATOM 686 CG2 THR A 89 18.752 32.707 19.297 1.00 32.82 C ATOM 0 H THR A 89 16.673 34.990 17.376 1.00 25.48 H new ATOM 0 HA THR A 89 16.019 32.852 18.723 1.00 41.71 H new ATOM 0 HB THR A 89 18.487 34.467 18.474 1.00 43.53 H new ATOM 0 HG1 THR A 89 18.745 33.106 16.727 1.00 50.76 H new ATOM 0 HG21 THR A 89 19.688 32.686 19.043 1.00 32.82 H new ATOM 0 HG22 THR A 89 18.673 33.018 20.212 1.00 32.82 H new ATOM 0 HG23 THR A 89 18.378 31.815 19.226 1.00 32.82 H new ATOM 687 N LEU A 90 16.871 35.250 20.558 1.00 22.59 N ATOM 688 CA LEU A 90 16.950 35.593 21.952 1.00 16.73 C ATOM 689 C LEU A 90 15.533 35.683 22.441 1.00 26.16 C ATOM 690 O LEU A 90 15.248 35.425 23.656 1.00 18.91 O ATOM 691 CB LEU A 90 17.915 36.946 22.166 1.00 19.22 C ATOM 692 CG LEU A 90 19.395 36.867 21.759 1.00 21.70 C ATOM 693 CD1 LEU A 90 20.367 38.172 22.123 1.00 34.89 C ATOM 694 CD2 LEU A 90 19.951 35.719 22.495 1.00 27.04 C ATOM 0 H LEU A 90 17.057 35.870 19.992 1.00 22.59 H new ATOM 0 HA LEU A 90 17.397 34.928 22.498 1.00 16.73 H new ATOM 0 HB2 LEU A 90 17.512 37.676 21.671 1.00 19.22 H new ATOM 0 HB3 LEU A 90 17.880 37.187 23.105 1.00 19.22 H new ATOM 0 HG LEU A 90 19.397 36.813 20.790 1.00 21.70 H new ATOM 0 HD11 LEU A 90 21.271 37.998 21.816 1.00 34.89 H new ATOM 0 HD12 LEU A 90 20.023 38.965 21.682 1.00 34.89 H new ATOM 0 HD13 LEU A 90 20.373 38.313 23.083 1.00 34.89 H new ATOM 0 HD21 LEU A 90 20.891 35.619 22.276 1.00 27.04 H new ATOM 0 HD22 LEU A 90 19.855 35.869 23.449 1.00 27.04 H new ATOM 0 HD23 LEU A 90 19.474 34.912 22.245 1.00 27.04 H new ATOM 695 N LYS A 91 14.717 36.105 21.507 1.00 25.48 N ATOM 696 CA LYS A 91 13.281 36.170 21.856 1.00 39.99 C ATOM 697 C LYS A 91 12.544 34.750 22.187 1.00 37.88 C ATOM 698 O LYS A 91 11.761 34.496 23.172 1.00 34.62 O ATOM 699 CB LYS A 91 12.511 36.781 20.720 1.00 32.65 C ATOM 700 CG LYS A 91 13.103 38.258 20.390 1.00 21.52 C ATOM 701 CD LYS A 91 11.996 39.026 19.845 0.00 0.00 C ATOM 702 CE LYS A 91 12.516 40.537 19.605 0.00 0.00 C ATOM 703 NZ LYS A 91 13.590 40.689 18.591 0.00 0.00 N ATOM 0 H LYS A 91 14.933 36.348 20.711 1.00 25.48 H new ATOM 0 HA LYS A 91 13.274 36.694 22.672 1.00 39.99 H new ATOM 0 HB2 LYS A 91 12.573 36.215 19.935 1.00 32.65 H new ATOM 0 HB3 LYS A 91 11.571 36.844 20.951 1.00 32.65 H new ATOM 0 HG2 LYS A 91 13.454 38.677 21.191 1.00 21.52 H new ATOM 0 HG3 LYS A 91 13.834 38.204 19.754 1.00 21.52 H new ATOM 0 HD2 LYS A 91 11.689 38.636 19.012 0.00 0.00 H new ATOM 0 HD3 LYS A 91 11.243 39.018 20.457 0.00 0.00 H new ATOM 0 HE2 LYS A 91 11.761 41.084 19.338 0.00 0.00 H new ATOM 0 HE3 LYS A 91 12.837 40.890 20.449 0.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.815 41.547 18.523 0.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.301 40.215 18.838 0.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.298 40.396 17.803 0.00 0.00 H new ATOM 704 N ASN A 92 12.918 33.821 21.442 1.00 17.08 N ATOM 705 CA ASN A 92 12.328 32.418 21.605 1.00 14.94 C ATOM 706 C ASN A 92 12.920 31.775 22.797 1.00 25.25 C ATOM 707 O ASN A 92 12.135 30.981 23.531 1.00 28.43 O ATOM 708 CB ASN A 92 12.619 31.602 20.391 1.00 33.56 C ATOM 709 CG ASN A 92 11.865 30.160 20.567 1.00 59.00 C ATOM 710 OD1 ASN A 92 10.584 29.928 20.509 1.00 54.33 O ATOM 711 ND2 ASN A 92 12.602 29.308 21.088 1.00 53.33 N ATOM 0 H ASN A 92 13.503 33.900 20.817 1.00 17.08 H new ATOM 0 HA ASN A 92 11.367 32.482 21.717 1.00 14.94 H new ATOM 0 HB2 ASN A 92 12.305 32.055 19.593 1.00 33.56 H new ATOM 0 HB3 ASN A 92 13.575 31.476 20.287 1.00 33.56 H new ATOM 0 HD21 ASN A 92 12.265 28.582 21.402 1.00 53.33 H new ATOM 0 HD22 ASN A 92 13.450 29.444 21.135 1.00 53.33 H new ATOM 712 N LEU A 93 14.206 32.286 23.087 1.00 20.53 N ATOM 713 CA LEU A 93 14.818 31.897 24.339 1.00 17.64 C ATOM 714 C LEU A 93 14.105 32.319 25.544 1.00 11.70 C ATOM 715 O LEU A 93 14.043 31.565 26.542 1.00 16.05 O ATOM 716 CB LEU A 93 16.334 32.401 24.603 1.00 23.97 C ATOM 717 CG LEU A 93 17.251 31.536 23.876 1.00 31.80 C ATOM 718 CD1 LEU A 93 18.761 32.027 24.163 1.00 39.64 C ATOM 719 CD2 LEU A 93 16.857 30.053 24.275 1.00 40.16 C ATOM 0 H LEU A 93 14.666 32.812 22.585 1.00 20.53 H new ATOM 0 HA LEU A 93 14.790 30.937 24.204 1.00 17.64 H new ATOM 0 HB2 LEU A 93 16.438 33.320 24.311 1.00 23.97 H new ATOM 0 HB3 LEU A 93 16.534 32.380 25.552 1.00 23.97 H new ATOM 0 HG LEU A 93 17.191 31.574 22.909 1.00 31.80 H new ATOM 0 HD11 LEU A 93 19.383 31.458 23.684 1.00 39.64 H new ATOM 0 HD12 LEU A 93 18.866 32.944 23.864 1.00 39.64 H new ATOM 0 HD13 LEU A 93 18.943 31.975 25.114 1.00 39.64 H new ATOM 0 HD21 LEU A 93 17.440 29.428 23.816 1.00 40.16 H new ATOM 0 HD22 LEU A 93 16.953 29.939 25.234 1.00 40.16 H new ATOM 0 HD23 LEU A 93 15.937 29.883 24.020 1.00 40.16 H new ATOM 720 N GLY A 94 13.651 33.486 25.485 1.00 22.34 N ATOM 721 CA GLY A 94 12.968 33.934 26.654 1.00 13.42 C ATOM 722 C GLY A 94 11.644 32.974 26.879 1.00 15.81 C ATOM 723 O GLY A 94 11.265 32.627 28.037 1.00 22.97 O ATOM 0 H GLY A 94 13.708 34.034 24.825 1.00 22.34 H new ATOM 0 HA2 GLY A 94 13.554 33.889 27.426 1.00 13.42 H new ATOM 0 HA3 GLY A 94 12.701 34.861 26.555 1.00 13.42 H new ATOM 724 N SER A 95 10.965 32.579 25.800 1.00 25.35 N ATOM 725 CA SER A 95 9.660 31.698 25.915 1.00 24.86 C ATOM 726 C SER A 95 9.862 30.354 26.553 1.00 25.50 C ATOM 727 O SER A 95 9.131 29.858 27.507 1.00 27.28 O ATOM 728 CB SER A 95 9.107 31.446 24.467 1.00 26.45 C ATOM 729 OG SER A 95 7.879 30.506 24.579 1.00 51.34 O ATOM 0 H SER A 95 11.190 32.775 24.994 1.00 25.35 H new ATOM 0 HA SER A 95 9.052 32.195 26.484 1.00 24.86 H new ATOM 0 HB2 SER A 95 8.855 32.285 24.050 1.00 26.45 H new ATOM 0 HB3 SER A 95 9.791 31.045 23.908 1.00 26.45 H new ATOM 0 HG SER A 95 7.567 30.360 23.813 1.00 51.34 H new ATOM 730 N VAL A 96 10.839 29.775 26.018 1.00 20.85 N ATOM 731 CA VAL A 96 11.139 28.460 26.512 1.00 11.95 C ATOM 732 C VAL A 96 11.552 28.415 27.980 1.00 28.57 C ATOM 733 O VAL A 96 11.067 27.413 28.700 1.00 23.70 O ATOM 734 CB VAL A 96 12.077 27.763 25.589 1.00 11.50 C ATOM 735 CG1 VAL A 96 13.215 28.746 24.974 1.00 45.59 C ATOM 736 CG2 VAL A 96 12.730 26.701 26.396 1.00 33.18 C ATOM 0 H VAL A 96 11.342 30.083 25.392 1.00 20.85 H new ATOM 0 HA VAL A 96 10.309 27.958 26.514 1.00 11.95 H new ATOM 0 HB VAL A 96 11.583 27.416 24.829 1.00 11.50 H new ATOM 0 HG11 VAL A 96 13.795 28.240 24.383 1.00 45.59 H new ATOM 0 HG12 VAL A 96 12.790 29.461 24.475 1.00 45.59 H new ATOM 0 HG13 VAL A 96 13.741 29.124 25.696 1.00 45.59 H new ATOM 0 HG21 VAL A 96 13.356 26.211 25.840 1.00 33.18 H new ATOM 0 HG22 VAL A 96 13.205 27.105 27.139 1.00 33.18 H new ATOM 0 HG23 VAL A 96 12.056 26.092 26.736 1.00 33.18 H new ATOM 737 N HIS A 97 12.261 29.530 28.473 1.00 14.11 N ATOM 738 CA HIS A 97 12.570 29.571 29.913 1.00 10.37 C ATOM 739 C HIS A 97 11.363 29.712 30.794 1.00 7.58 C ATOM 740 O HIS A 97 11.205 29.030 31.860 1.00 24.70 O ATOM 741 CB HIS A 97 13.718 30.738 30.268 1.00 18.67 C ATOM 742 CG HIS A 97 15.061 30.415 29.693 1.00 19.78 C ATOM 743 ND1 HIS A 97 15.494 30.787 28.423 1.00 30.26 N ATOM 744 CD2 HIS A 97 15.939 29.669 30.204 1.00 12.42 C ATOM 745 CE1 HIS A 97 16.675 30.238 28.112 1.00 16.61 C ATOM 746 NE2 HIS A 97 16.922 29.568 29.248 1.00 7.13 N ATOM 0 H HIS A 97 12.535 30.199 28.007 1.00 14.11 H new ATOM 0 HA HIS A 97 12.945 28.700 30.117 1.00 10.37 H new ATOM 0 HB2 HIS A 97 13.420 31.595 29.925 1.00 18.67 H new ATOM 0 HB3 HIS A 97 13.795 30.829 31.231 1.00 18.67 H new ATOM 0 HD1 HIS A 97 15.054 31.309 27.899 1.00 30.26 H new ATOM 0 HD2 HIS A 97 15.925 29.273 31.045 1.00 12.42 H new ATOM 0 HE1 HIS A 97 17.179 30.302 27.333 1.00 16.61 H new ATOM 747 N VAL A 98 10.537 30.517 30.342 1.00 12.90 N ATOM 748 CA VAL A 98 9.330 30.624 31.127 1.00 9.16 C ATOM 749 C VAL A 98 8.492 29.203 31.215 1.00 16.62 C ATOM 750 O VAL A 98 8.060 28.750 32.333 1.00 21.55 O ATOM 751 CB VAL A 98 8.542 31.648 30.434 1.00 9.34 C ATOM 752 CG1 VAL A 98 7.206 31.761 31.137 1.00 27.30 C ATOM 753 CG2 VAL A 98 9.412 33.029 30.616 1.00 15.24 C ATOM 0 H VAL A 98 10.604 31.002 29.635 1.00 12.90 H new ATOM 0 HA VAL A 98 9.530 30.850 32.049 1.00 9.16 H new ATOM 0 HB VAL A 98 8.377 31.454 29.498 1.00 9.34 H new ATOM 0 HG11 VAL A 98 6.664 32.434 30.696 1.00 27.30 H new ATOM 0 HG12 VAL A 98 6.749 30.906 31.103 1.00 27.30 H new ATOM 0 HG13 VAL A 98 7.348 32.015 32.062 1.00 27.30 H new ATOM 0 HG21 VAL A 98 8.951 33.762 30.179 1.00 15.24 H new ATOM 0 HG22 VAL A 98 9.512 33.227 31.560 1.00 15.24 H new ATOM 0 HG23 VAL A 98 10.288 32.915 30.216 1.00 15.24 H new ATOM 754 N SER A 99 8.384 28.499 30.109 1.00 20.82 N ATOM 755 CA SER A 99 7.573 27.119 30.067 1.00 27.77 C ATOM 756 C SER A 99 8.099 26.162 31.030 1.00 26.74 C ATOM 757 O SER A 99 7.280 25.238 31.524 1.00 34.87 O ATOM 758 CB SER A 99 7.559 26.430 28.693 1.00 19.10 C ATOM 759 OG SER A 99 6.965 27.244 27.733 1.00 52.19 O ATOM 0 H SER A 99 8.733 28.729 29.357 1.00 20.82 H new ATOM 0 HA SER A 99 6.664 27.377 30.285 1.00 27.77 H new ATOM 0 HB2 SER A 99 8.467 26.217 28.425 1.00 19.10 H new ATOM 0 HB3 SER A 99 7.077 25.590 28.753 1.00 19.10 H new ATOM 0 HG SER A 99 6.969 26.851 26.991 1.00 52.19 H new ATOM 760 N LYS A 100 9.406 26.318 31.185 1.00 24.15 N ATOM 761 CA LYS A 100 10.078 25.365 31.949 1.00 14.93 C ATOM 762 C LYS A 100 10.171 25.740 33.416 1.00 15.38 C ATOM 763 O LYS A 100 10.746 25.034 34.190 1.00 31.28 O ATOM 764 CB LYS A 100 11.541 25.342 31.426 1.00 20.55 C ATOM 765 CG LYS A 100 11.536 24.694 30.040 1.00 31.44 C ATOM 766 CD LYS A 100 10.771 23.232 30.055 1.00 43.56 C ATOM 767 CE LYS A 100 10.885 22.479 28.721 1.00 36.45 C ATOM 768 NZ LYS A 100 10.315 21.043 28.852 0.00 0.00 N ATOM 0 H LYS A 100 9.884 26.954 30.858 1.00 24.15 H new ATOM 0 HA LYS A 100 9.600 24.524 31.873 1.00 14.93 H new ATOM 0 HB2 LYS A 100 11.899 26.242 31.378 1.00 20.55 H new ATOM 0 HB3 LYS A 100 12.110 24.843 32.032 1.00 20.55 H new ATOM 0 HG2 LYS A 100 11.096 25.284 29.408 1.00 31.44 H new ATOM 0 HG3 LYS A 100 12.449 24.579 29.733 1.00 31.44 H new ATOM 0 HD2 LYS A 100 11.146 22.684 30.762 1.00 43.56 H new ATOM 0 HD3 LYS A 100 9.834 23.366 30.266 1.00 43.56 H new ATOM 0 HE2 LYS A 100 10.404 22.961 28.030 1.00 36.45 H new ATOM 0 HE3 LYS A 100 11.814 22.439 28.445 1.00 36.45 H new ATOM 0 HZ1 LYS A 100 10.389 20.622 28.072 0.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.771 20.598 29.473 0.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.457 21.084 29.087 0.00 0.00 H new ATOM 769 N GLY A 101 9.576 26.749 33.802 1.00 22.06 N ATOM 770 CA GLY A 101 9.618 27.125 35.214 1.00 15.42 C ATOM 771 C GLY A 101 10.969 27.909 35.683 1.00 20.59 C ATOM 772 O GLY A 101 11.208 27.994 36.909 1.00 21.30 O ATOM 0 H GLY A 101 9.120 27.274 33.296 1.00 22.06 H new ATOM 0 HA2 GLY A 101 8.851 27.687 35.407 1.00 15.42 H new ATOM 0 HA3 GLY A 101 9.524 26.323 35.751 1.00 15.42 H new ATOM 773 N VAL A 102 11.758 28.602 34.774 1.00 24.91 N ATOM 774 CA VAL A 102 13.025 29.470 35.141 1.00 14.52 C ATOM 775 C VAL A 102 12.758 30.861 35.562 1.00 10.50 C ATOM 776 O VAL A 102 11.974 31.394 34.848 1.00 25.31 O ATOM 777 CB VAL A 102 13.999 29.610 33.939 1.00 16.60 C ATOM 778 CG1 VAL A 102 15.374 30.506 34.290 1.00 11.49 C ATOM 779 CG2 VAL A 102 14.230 28.191 33.467 1.00 9.18 C ATOM 0 H VAL A 102 11.594 28.596 33.930 1.00 24.91 H new ATOM 0 HA VAL A 102 13.393 28.972 35.887 1.00 14.52 H new ATOM 0 HB VAL A 102 13.628 30.141 33.217 1.00 16.60 H new ATOM 0 HG11 VAL A 102 15.938 30.556 33.502 1.00 11.49 H new ATOM 0 HG12 VAL A 102 15.117 31.401 34.560 1.00 11.49 H new ATOM 0 HG13 VAL A 102 15.863 30.079 35.011 1.00 11.49 H new ATOM 0 HG21 VAL A 102 14.835 28.196 32.709 1.00 9.18 H new ATOM 0 HG22 VAL A 102 14.618 27.669 34.187 1.00 9.18 H new ATOM 0 HG23 VAL A 102 13.385 27.796 33.202 1.00 9.18 H new ATOM 780 N ALA A 103 13.305 31.415 36.669 1.00 9.12 N ATOM 781 CA ALA A 103 13.123 32.780 37.076 1.00 3.00 C ATOM 782 C ALA A 103 14.488 33.711 37.039 1.00 17.84 C ATOM 783 O ALA A 103 15.569 33.235 36.899 1.00 10.58 O ATOM 784 CB ALA A 103 12.549 32.750 38.505 1.00 11.01 C ATOM 0 H ALA A 103 13.807 30.969 37.207 1.00 9.12 H new ATOM 0 HA ALA A 103 12.526 33.199 36.436 1.00 3.00 H new ATOM 0 HB1 ALA A 103 12.411 33.658 38.818 1.00 11.01 H new ATOM 0 HB2 ALA A 103 11.702 32.277 38.504 1.00 11.01 H new ATOM 0 HB3 ALA A 103 13.172 32.297 39.095 1.00 11.01 H new ATOM 785 N ASP A 104 14.477 35.007 37.138 1.00 12.62 N ATOM 786 CA ASP A 104 15.720 35.976 37.182 1.00 6.24 C ATOM 787 C ASP A 104 16.733 35.573 38.192 1.00 18.76 C ATOM 788 O ASP A 104 17.962 36.037 38.032 1.00 19.44 O ATOM 789 CB ASP A 104 15.351 37.317 37.722 1.00 13.49 C ATOM 790 CG ASP A 104 14.555 37.944 36.662 1.00 32.80 C ATOM 791 OD1 ASP A 104 14.228 39.101 36.823 1.00 47.41 O ATOM 792 OD2 ASP A 104 14.476 37.430 35.526 1.00 41.56 O ATOM 0 H ASP A 104 13.736 35.440 37.189 1.00 12.62 H new ATOM 0 HA ASP A 104 16.040 35.964 36.266 1.00 6.24 H new ATOM 0 HB2 ASP A 104 14.842 37.237 38.544 1.00 13.49 H new ATOM 0 HB3 ASP A 104 16.140 37.843 37.927 1.00 13.49 H new ATOM 793 N ALA A 105 16.255 35.023 39.336 1.00 9.77 N ATOM 794 CA ALA A 105 17.165 34.779 40.465 1.00 13.17 C ATOM 795 C ALA A 105 17.919 33.585 40.222 1.00 11.05 C ATOM 796 O ALA A 105 18.999 33.502 40.822 1.00 16.14 O ATOM 797 CB ALA A 105 16.509 34.619 41.846 1.00 6.55 C ATOM 0 H ALA A 105 15.436 34.795 39.468 1.00 9.77 H new ATOM 0 HA ALA A 105 17.706 35.583 40.506 1.00 13.17 H new ATOM 0 HB1 ALA A 105 17.195 34.463 42.514 1.00 6.55 H new ATOM 0 HB2 ALA A 105 16.020 35.427 42.068 1.00 6.55 H new ATOM 0 HB3 ALA A 105 15.898 33.866 41.829 1.00 6.55 H new ATOM 798 N HIS A 106 17.557 32.868 39.173 1.00 13.67 N ATOM 799 CA HIS A 106 18.338 31.822 38.713 1.00 13.67 C ATOM 800 C HIS A 106 19.656 32.391 38.009 1.00 24.69 C ATOM 801 O HIS A 106 20.600 31.694 37.978 1.00 15.65 O ATOM 802 CB HIS A 106 17.524 30.833 37.693 1.00 12.56 C ATOM 803 CG HIS A 106 16.433 29.784 38.353 1.00 8.59 C ATOM 804 ND1 HIS A 106 15.040 29.732 38.064 1.00 16.88 N ATOM 805 CD2 HIS A 106 16.571 28.832 39.244 1.00 16.20 C ATOM 806 CE1 HIS A 106 14.307 28.695 38.826 1.00 16.82 C ATOM 807 NE2 HIS A 106 15.286 28.129 39.582 1.00 16.25 N ATOM 0 H HIS A 106 16.836 33.001 38.723 1.00 13.67 H new ATOM 0 HA HIS A 106 18.588 31.287 39.483 1.00 13.67 H new ATOM 0 HB2 HIS A 106 17.054 31.387 37.050 1.00 12.56 H new ATOM 0 HB3 HIS A 106 18.176 30.313 37.197 1.00 12.56 H new ATOM 0 HD2 HIS A 106 17.388 28.612 39.631 1.00 16.20 H new ATOM 0 HE1 HIS A 106 13.402 28.483 38.795 1.00 16.82 H new ATOM 0 HE2 HIS A 106 15.188 27.489 40.148 1.00 16.25 H new ATOM 808 N PHE A 107 19.688 33.516 37.352 1.00 18.41 N ATOM 809 CA PHE A 107 20.906 34.113 36.565 1.00 27.22 C ATOM 810 C PHE A 107 22.279 34.372 37.285 1.00 11.97 C ATOM 811 O PHE A 107 23.284 34.038 36.715 1.00 10.46 O ATOM 812 CB PHE A 107 20.697 35.335 35.666 1.00 20.39 C ATOM 813 CG PHE A 107 19.695 34.954 34.513 1.00 9.00 C ATOM 814 CD1 PHE A 107 18.300 34.750 34.732 1.00 14.49 C ATOM 815 CD2 PHE A 107 20.207 34.800 33.242 1.00 7.53 C ATOM 816 CE1 PHE A 107 17.397 34.351 33.683 1.00 19.40 C ATOM 817 CE2 PHE A 107 19.307 34.394 32.177 1.00 15.57 C ATOM 818 CZ PHE A 107 17.898 34.154 32.400 1.00 9.35 C ATOM 0 H PHE A 107 18.998 34.027 37.310 1.00 18.41 H new ATOM 0 HA PHE A 107 20.962 33.298 36.043 1.00 27.22 H new ATOM 0 HB2 PHE A 107 20.346 36.076 36.184 1.00 20.39 H new ATOM 0 HB3 PHE A 107 21.544 35.625 35.292 1.00 20.39 H new ATOM 0 HD1 PHE A 107 17.960 34.880 35.588 1.00 14.49 H new ATOM 0 HD2 PHE A 107 21.108 34.953 33.071 1.00 7.53 H new ATOM 0 HE1 PHE A 107 16.493 34.227 33.861 1.00 19.40 H new ATOM 0 HE2 PHE A 107 19.649 34.284 31.319 1.00 15.57 H new ATOM 0 HZ PHE A 107 17.344 33.876 31.707 1.00 9.35 H new ATOM 819 N PRO A 108 22.378 34.780 38.527 1.00 11.47 N ATOM 820 CA PRO A 108 23.680 34.904 39.190 1.00 8.84 C ATOM 821 C PRO A 108 24.139 33.525 39.375 1.00 22.45 C ATOM 822 O PRO A 108 25.378 33.457 39.472 1.00 8.15 O ATOM 823 CB PRO A 108 23.497 35.576 40.556 1.00 18.40 C ATOM 824 CG PRO A 108 22.218 36.227 40.405 1.00 5.81 C ATOM 825 CD PRO A 108 21.399 35.369 39.347 1.00 3.12 C ATOM 0 HA PRO A 108 24.309 35.436 38.678 1.00 8.84 H new ATOM 0 HB2 PRO A 108 23.492 34.930 41.280 1.00 18.40 H new ATOM 0 HB3 PRO A 108 24.206 36.210 40.746 1.00 18.40 H new ATOM 0 HG2 PRO A 108 21.749 36.269 41.253 1.00 5.81 H new ATOM 0 HG3 PRO A 108 22.329 37.140 40.097 1.00 5.81 H new ATOM 0 HD2 PRO A 108 20.855 34.696 39.785 1.00 3.12 H new ATOM 0 HD3 PRO A 108 20.797 35.928 38.831 1.00 3.12 H new ATOM 826 N VAL A 109 23.190 32.451 39.432 1.00 10.88 N ATOM 827 CA VAL A 109 23.559 31.072 39.560 1.00 5.30 C ATOM 828 C VAL A 109 24.332 30.651 38.365 1.00 12.37 C ATOM 829 O VAL A 109 25.447 30.195 38.500 1.00 15.03 O ATOM 830 CB VAL A 109 22.272 30.012 39.734 1.00 19.71 C ATOM 831 CG1 VAL A 109 22.533 28.542 39.550 1.00 9.16 C ATOM 832 CG2 VAL A 109 21.589 30.208 41.078 1.00 14.09 C ATOM 0 H VAL A 109 22.340 32.576 39.392 1.00 10.88 H new ATOM 0 HA VAL A 109 24.080 31.024 40.377 1.00 5.30 H new ATOM 0 HB VAL A 109 21.710 30.259 38.983 1.00 19.71 H new ATOM 0 HG11 VAL A 109 21.708 28.048 39.678 1.00 9.16 H new ATOM 0 HG12 VAL A 109 22.869 28.382 38.654 1.00 9.16 H new ATOM 0 HG13 VAL A 109 23.190 28.246 40.199 1.00 9.16 H new ATOM 0 HG21 VAL A 109 20.849 29.586 41.159 1.00 14.09 H new ATOM 0 HG22 VAL A 109 22.226 30.046 41.792 1.00 14.09 H new ATOM 0 HG23 VAL A 109 21.256 31.117 41.143 1.00 14.09 H new ATOM 833 N VAL A 110 23.764 30.794 37.201 1.00 14.54 N ATOM 834 CA VAL A 110 24.448 30.426 35.973 1.00 15.39 C ATOM 835 C VAL A 110 25.737 31.445 35.694 1.00 20.05 C ATOM 836 O VAL A 110 26.788 31.046 35.289 1.00 10.49 O ATOM 837 CB VAL A 110 23.461 30.257 34.744 1.00 14.51 C ATOM 838 CG1 VAL A 110 24.130 30.110 33.361 1.00 9.89 C ATOM 839 CG2 VAL A 110 22.270 29.104 34.872 1.00 4.37 C ATOM 0 H VAL A 110 22.971 31.106 37.088 1.00 14.54 H new ATOM 0 HA VAL A 110 24.823 29.539 36.087 1.00 15.39 H new ATOM 0 HB VAL A 110 23.029 31.124 34.800 1.00 14.51 H new ATOM 0 HG11 VAL A 110 23.447 30.013 32.679 1.00 9.89 H new ATOM 0 HG12 VAL A 110 24.663 30.898 33.174 1.00 9.89 H new ATOM 0 HG13 VAL A 110 24.701 29.326 33.359 1.00 9.89 H new ATOM 0 HG21 VAL A 110 21.736 29.098 34.062 1.00 4.37 H new ATOM 0 HG22 VAL A 110 22.676 28.232 34.997 1.00 4.37 H new ATOM 0 HG23 VAL A 110 21.702 29.308 35.631 1.00 4.37 H new ATOM 840 N LYS A 111 25.790 32.698 36.144 1.00 11.32 N ATOM 841 CA LYS A 111 27.020 33.664 35.969 1.00 6.65 C ATOM 842 C LYS A 111 28.231 33.228 36.704 1.00 4.12 C ATOM 843 O LYS A 111 29.293 33.145 36.032 1.00 5.36 O ATOM 844 CB LYS A 111 26.765 35.060 36.501 1.00 8.05 C ATOM 845 CG LYS A 111 27.998 36.187 36.431 1.00 19.40 C ATOM 846 CD LYS A 111 27.522 37.529 36.855 1.00 12.98 C ATOM 847 CE LYS A 111 28.661 38.713 36.914 1.00 32.46 C ATOM 848 NZ LYS A 111 27.978 39.893 37.183 1.00 37.48 N ATOM 0 H LYS A 111 25.136 33.062 36.568 1.00 11.32 H new ATOM 0 HA LYS A 111 27.153 33.651 35.008 1.00 6.65 H new ATOM 0 HB2 LYS A 111 26.007 35.424 36.018 1.00 8.05 H new ATOM 0 HB3 LYS A 111 26.496 34.976 37.429 1.00 8.05 H new ATOM 0 HG2 LYS A 111 28.730 35.905 37.002 1.00 19.40 H new ATOM 0 HG3 LYS A 111 28.345 36.235 35.527 1.00 19.40 H new ATOM 0 HD2 LYS A 111 26.820 37.810 36.248 1.00 12.98 H new ATOM 0 HD3 LYS A 111 27.120 37.447 37.734 1.00 12.98 H new ATOM 0 HE2 LYS A 111 29.318 38.528 37.603 1.00 32.46 H new ATOM 0 HE3 LYS A 111 29.141 38.774 36.073 1.00 32.46 H new ATOM 0 HZ1 LYS A 111 28.550 40.574 37.182 1.00 37.48 H new ATOM 0 HZ2 LYS A 111 27.358 40.026 36.559 1.00 37.48 H new ATOM 0 HZ3 LYS A 111 27.588 39.835 37.981 1.00 37.48 H new ATOM 849 N GLU A 112 28.058 32.960 37.986 1.00 6.90 N ATOM 850 CA GLU A 112 29.102 32.458 38.785 1.00 9.44 C ATOM 851 C GLU A 112 29.552 31.168 38.285 1.00 16.50 C ATOM 852 O GLU A 112 30.795 31.116 38.131 1.00 9.78 O ATOM 853 CB GLU A 112 28.862 32.355 40.293 1.00 3.00 C ATOM 854 CG GLU A 112 28.499 33.704 40.867 1.00 25.26 C ATOM 855 CD GLU A 112 29.674 34.862 40.666 1.00 39.22 C ATOM 856 OE1 GLU A 112 30.841 34.675 40.986 1.00 22.68 O ATOM 857 OE2 GLU A 112 29.514 35.970 40.133 1.00 17.57 O ATOM 0 H GLU A 112 27.315 33.073 38.403 1.00 6.90 H new ATOM 0 HA GLU A 112 29.781 33.146 38.700 1.00 9.44 H new ATOM 0 HB2 GLU A 112 28.150 31.721 40.470 1.00 3.00 H new ATOM 0 HB3 GLU A 112 29.659 32.016 40.730 1.00 3.00 H new ATOM 0 HG2 GLU A 112 27.679 34.013 40.450 1.00 25.26 H new ATOM 0 HG3 GLU A 112 28.316 33.604 41.814 1.00 25.26 H new ATOM 858 N ALA A 113 28.596 30.273 37.782 1.00 14.43 N ATOM 859 CA ALA A 113 28.960 29.005 37.285 1.00 3.00 C ATOM 860 C ALA A 113 29.734 29.222 35.979 1.00 4.37 C ATOM 861 O ALA A 113 30.665 28.529 35.798 1.00 8.16 O ATOM 862 CB ALA A 113 27.659 27.979 37.059 1.00 11.58 C ATOM 0 H ALA A 113 27.753 30.440 37.748 1.00 14.43 H new ATOM 0 HA ALA A 113 29.514 28.560 37.946 1.00 3.00 H new ATOM 0 HB1 ALA A 113 27.974 27.127 36.717 1.00 11.58 H new ATOM 0 HB2 ALA A 113 27.206 27.840 37.905 1.00 11.58 H new ATOM 0 HB3 ALA A 113 27.042 28.374 36.423 1.00 11.58 H new ATOM 863 N ILE A 114 29.486 30.207 35.162 1.00 8.77 N ATOM 864 CA ILE A 114 30.260 30.507 33.897 1.00 7.63 C ATOM 865 C ILE A 114 31.702 31.224 34.194 1.00 16.52 C ATOM 866 O ILE A 114 32.724 30.850 33.637 1.00 8.97 O ATOM 867 CB ILE A 114 29.581 31.411 32.927 1.00 5.42 C ATOM 868 CG1 ILE A 114 28.280 30.644 32.314 1.00 8.84 C ATOM 869 CG2 ILE A 114 30.561 32.146 31.869 1.00 6.69 C ATOM 870 CD1 ILE A 114 27.627 31.521 31.324 1.00 6.64 C ATOM 0 H ILE A 114 28.845 30.764 35.299 1.00 8.77 H new ATOM 0 HA ILE A 114 30.351 29.621 33.513 1.00 7.63 H new ATOM 0 HB ILE A 114 29.252 32.191 33.401 1.00 5.42 H new ATOM 0 HG12 ILE A 114 28.548 29.810 31.897 1.00 8.84 H new ATOM 0 HG13 ILE A 114 27.658 30.419 33.024 1.00 8.84 H new ATOM 0 HG21 ILE A 114 30.036 32.711 31.280 1.00 6.69 H new ATOM 0 HG22 ILE A 114 31.206 32.690 32.348 1.00 6.69 H new ATOM 0 HG23 ILE A 114 31.029 31.478 31.343 1.00 6.69 H new ATOM 0 HD11 ILE A 114 26.851 31.071 30.955 1.00 6.64 H new ATOM 0 HD12 ILE A 114 27.348 32.344 31.755 1.00 6.64 H new ATOM 0 HD13 ILE A 114 28.252 31.726 30.611 1.00 6.64 H new ATOM 871 N LEU A 115 31.807 32.092 35.205 1.00 11.93 N ATOM 872 CA LEU A 115 33.129 32.837 35.610 1.00 12.15 C ATOM 873 C LEU A 115 33.969 31.829 36.197 1.00 8.32 C ATOM 874 O LEU A 115 35.173 31.864 35.859 1.00 15.99 O ATOM 875 CB LEU A 115 33.013 33.996 36.617 1.00 10.53 C ATOM 876 CG LEU A 115 32.410 35.199 35.996 1.00 11.02 C ATOM 877 CD1 LEU A 115 32.204 36.241 37.087 1.00 12.28 C ATOM 878 CD2 LEU A 115 33.270 35.875 34.816 1.00 6.57 C ATOM 0 H LEU A 115 31.139 32.298 35.706 1.00 11.93 H new ATOM 0 HA LEU A 115 33.462 33.261 34.804 1.00 12.15 H new ATOM 0 HB2 LEU A 115 32.473 33.716 37.373 1.00 10.53 H new ATOM 0 HB3 LEU A 115 33.893 34.215 36.962 1.00 10.53 H new ATOM 0 HG LEU A 115 31.585 34.899 35.584 1.00 11.02 H new ATOM 0 HD11 LEU A 115 31.809 37.039 36.702 1.00 12.28 H new ATOM 0 HD12 LEU A 115 31.612 35.884 37.768 1.00 12.28 H new ATOM 0 HD13 LEU A 115 33.059 36.464 37.487 1.00 12.28 H new ATOM 0 HD21 LEU A 115 32.797 36.650 34.474 1.00 6.57 H new ATOM 0 HD22 LEU A 115 34.134 36.150 35.161 1.00 6.57 H new ATOM 0 HD23 LEU A 115 33.398 35.233 34.100 1.00 6.57 H new ATOM 879 N LYS A 116 33.360 30.971 37.088 1.00 10.52 N ATOM 880 CA LYS A 116 34.100 29.966 37.680 1.00 3.44 C ATOM 881 C LYS A 116 34.538 28.970 36.664 1.00 9.14 C ATOM 882 O LYS A 116 35.733 28.750 36.677 1.00 16.12 O ATOM 883 CB LYS A 116 33.362 29.186 38.832 1.00 4.66 C ATOM 884 CG LYS A 116 33.170 30.135 40.010 1.00 41.22 C ATOM 885 CD LYS A 116 32.403 29.385 41.210 1.00 45.67 C ATOM 886 CE LYS A 116 32.023 30.359 42.296 1.00 46.09 C ATOM 887 NZ LYS A 116 31.370 29.599 43.436 0.00 0.00 N ATOM 0 H LYS A 116 32.532 31.004 37.318 1.00 10.52 H new ATOM 0 HA LYS A 116 34.852 30.429 38.082 1.00 3.44 H new ATOM 0 HB2 LYS A 116 32.504 28.857 38.521 1.00 4.66 H new ATOM 0 HB3 LYS A 116 33.882 28.413 39.103 1.00 4.66 H new ATOM 0 HG2 LYS A 116 34.032 30.456 40.319 1.00 41.22 H new ATOM 0 HG3 LYS A 116 32.662 30.912 39.728 1.00 41.22 H new ATOM 0 HD2 LYS A 116 31.607 28.949 40.868 1.00 45.67 H new ATOM 0 HD3 LYS A 116 32.971 28.690 41.578 1.00 45.67 H new ATOM 0 HE2 LYS A 116 32.809 30.829 42.614 1.00 46.09 H new ATOM 0 HE3 LYS A 116 31.414 31.028 41.947 1.00 46.09 H new ATOM 0 HZ1 LYS A 116 31.143 30.169 44.081 0.00 0.00 H new ATOM 0 HZ2 LYS A 116 30.642 29.184 43.137 0.00 0.00 H new ATOM 0 HZ3 LYS A 116 31.942 28.998 43.759 0.00 0.00 H new ATOM 888 N THR A 117 33.716 28.578 35.672 1.00 12.93 N ATOM 889 CA THR A 117 34.000 27.700 34.559 1.00 8.73 C ATOM 890 C THR A 117 35.171 28.422 33.717 1.00 13.66 C ATOM 891 O THR A 117 36.123 27.811 33.378 1.00 18.19 O ATOM 892 CB THR A 117 32.754 27.229 33.626 1.00 8.22 C ATOM 893 OG1 THR A 117 31.683 26.456 34.314 1.00 10.19 O ATOM 894 CG2 THR A 117 32.999 26.332 32.410 1.00 6.92 C ATOM 0 H THR A 117 32.903 28.856 35.647 1.00 12.93 H new ATOM 0 HA THR A 117 34.265 26.842 34.925 1.00 8.73 H new ATOM 0 HB THR A 117 32.525 28.133 33.359 1.00 8.22 H new ATOM 0 HG1 THR A 117 31.258 26.964 34.830 1.00 10.19 H new ATOM 0 HG21 THR A 117 32.155 26.148 31.968 1.00 6.92 H new ATOM 0 HG22 THR A 117 33.596 26.781 31.791 1.00 6.92 H new ATOM 0 HG23 THR A 117 33.401 25.498 32.699 1.00 6.92 H new ATOM 895 N ILE A 118 35.105 29.651 33.299 1.00 16.21 N ATOM 896 CA ILE A 118 36.213 30.336 32.480 1.00 12.09 C ATOM 897 C ILE A 118 37.548 30.570 33.276 1.00 13.96 C ATOM 898 O ILE A 118 38.616 30.313 32.748 1.00 10.70 O ATOM 899 CB ILE A 118 35.884 31.715 31.999 1.00 15.31 C ATOM 900 CG1 ILE A 118 34.730 31.442 30.979 1.00 11.99 C ATOM 901 CG2 ILE A 118 37.146 32.519 31.323 1.00 18.23 C ATOM 902 CD1 ILE A 118 35.068 30.483 29.826 1.00 13.91 C ATOM 0 H ILE A 118 34.431 30.162 33.456 1.00 16.21 H new ATOM 0 HA ILE A 118 36.305 29.702 31.752 1.00 12.09 H new ATOM 0 HB ILE A 118 35.639 32.308 32.726 1.00 15.31 H new ATOM 0 HG12 ILE A 118 33.971 31.082 31.464 1.00 11.99 H new ATOM 0 HG13 ILE A 118 34.449 32.290 30.600 1.00 11.99 H new ATOM 0 HG21 ILE A 118 36.854 33.399 31.038 1.00 18.23 H new ATOM 0 HG22 ILE A 118 37.858 32.610 31.975 1.00 18.23 H new ATOM 0 HG23 ILE A 118 37.472 32.023 30.556 1.00 18.23 H new ATOM 0 HD11 ILE A 118 34.292 30.380 29.253 1.00 13.91 H new ATOM 0 HD12 ILE A 118 35.805 30.845 29.310 1.00 13.91 H new ATOM 0 HD13 ILE A 118 35.320 29.619 30.187 1.00 13.91 H new ATOM 903 N LYS A 119 37.447 30.671 34.564 1.00 14.54 N ATOM 904 CA LYS A 119 38.664 30.808 35.394 1.00 14.39 C ATOM 905 C LYS A 119 39.310 29.524 35.450 1.00 19.84 C ATOM 906 O LYS A 119 40.554 29.572 35.197 1.00 12.05 O ATOM 907 CB LYS A 119 38.328 31.214 36.814 1.00 20.80 C ATOM 908 CG LYS A 119 39.612 31.518 37.654 1.00 20.73 C ATOM 909 CD LYS A 119 39.332 31.969 39.076 1.00 31.11 C ATOM 910 CE LYS A 119 38.580 33.196 39.177 0.00 0.00 C ATOM 911 NZ LYS A 119 38.460 33.565 40.591 0.00 0.00 N ATOM 0 H LYS A 119 36.706 30.666 35.000 1.00 14.54 H new ATOM 0 HA LYS A 119 39.230 31.490 34.999 1.00 14.39 H new ATOM 0 HB2 LYS A 119 37.758 31.999 36.799 1.00 20.80 H new ATOM 0 HB3 LYS A 119 37.823 30.505 37.242 1.00 20.80 H new ATOM 0 HG2 LYS A 119 40.165 30.721 37.681 1.00 20.73 H new ATOM 0 HG3 LYS A 119 40.126 32.205 37.203 1.00 20.73 H new ATOM 0 HD2 LYS A 119 38.847 31.267 39.536 1.00 31.11 H new ATOM 0 HD3 LYS A 119 40.176 32.081 39.540 1.00 31.11 H new ATOM 0 HE2 LYS A 119 39.024 33.903 38.682 0.00 0.00 H new ATOM 0 HE3 LYS A 119 37.700 33.084 38.784 0.00 0.00 H new ATOM 0 HZ1 LYS A 119 37.997 34.322 40.662 0.00 0.00 H new ATOM 0 HZ2 LYS A 119 38.039 32.917 41.032 0.00 0.00 H new ATOM 0 HZ3 LYS A 119 39.271 33.681 40.938 0.00 0.00 H new ATOM 912 N GLU A 120 38.433 28.395 35.427 1.00 15.49 N ATOM 913 CA GLU A 120 38.941 27.106 35.308 1.00 8.17 C ATOM 914 C GLU A 120 39.448 26.853 33.908 1.00 13.54 C ATOM 915 O GLU A 120 40.476 26.301 33.775 1.00 24.95 O ATOM 916 CB GLU A 120 37.978 25.873 35.886 1.00 13.13 C ATOM 917 CG GLU A 120 37.546 26.157 37.326 1.00 39.34 C ATOM 918 CD GLU A 120 36.433 25.022 37.784 1.00 54.17 C ATOM 919 OE1 GLU A 120 35.930 25.074 38.941 1.00 41.26 O ATOM 920 OE2 GLU A 120 36.256 23.924 37.141 1.00 35.33 O ATOM 0 H GLU A 120 37.576 28.443 35.483 1.00 15.49 H new ATOM 0 HA GLU A 120 39.693 27.081 35.921 1.00 8.17 H new ATOM 0 HB2 GLU A 120 37.195 25.775 35.321 1.00 13.13 H new ATOM 0 HB3 GLU A 120 38.462 25.033 35.848 1.00 13.13 H new ATOM 0 HG2 GLU A 120 38.314 26.132 37.918 1.00 39.34 H new ATOM 0 HG3 GLU A 120 37.165 27.047 37.393 1.00 39.34 H new ATOM 921 N VAL A 121 38.793 27.216 32.889 1.00 12.74 N ATOM 922 CA VAL A 121 39.219 26.972 31.518 1.00 4.63 C ATOM 923 C VAL A 121 40.641 27.742 31.286 1.00 14.35 C ATOM 924 O VAL A 121 41.417 27.186 30.577 1.00 16.68 O ATOM 925 CB VAL A 121 38.191 27.329 30.460 1.00 7.17 C ATOM 926 CG1 VAL A 121 38.726 27.579 29.017 1.00 6.19 C ATOM 927 CG2 VAL A 121 36.816 26.338 30.469 1.00 15.75 C ATOM 0 H VAL A 121 38.044 27.636 32.943 1.00 12.74 H new ATOM 0 HA VAL A 121 39.328 26.015 31.406 1.00 4.63 H new ATOM 0 HB VAL A 121 37.912 28.209 30.758 1.00 7.17 H new ATOM 0 HG11 VAL A 121 37.985 27.798 28.430 1.00 6.19 H new ATOM 0 HG12 VAL A 121 39.357 28.316 29.029 1.00 6.19 H new ATOM 0 HG13 VAL A 121 39.169 26.779 28.693 1.00 6.19 H new ATOM 0 HG21 VAL A 121 36.207 26.623 29.770 1.00 15.75 H new ATOM 0 HG22 VAL A 121 37.079 25.418 30.312 1.00 15.75 H new ATOM 0 HG23 VAL A 121 36.374 26.405 31.330 1.00 15.75 H new ATOM 928 N VAL A 122 40.963 29.017 31.706 1.00 17.95 N ATOM 929 CA VAL A 122 42.207 29.846 31.169 1.00 4.39 C ATOM 930 C VAL A 122 43.400 29.709 32.065 1.00 13.32 C ATOM 931 O VAL A 122 44.605 30.042 31.680 1.00 18.58 O ATOM 932 CB VAL A 122 42.058 31.343 30.952 1.00 5.19 C ATOM 933 CG1 VAL A 122 41.067 31.441 29.767 1.00 9.25 C ATOM 934 CG2 VAL A 122 41.632 31.940 32.260 1.00 4.02 C ATOM 0 H VAL A 122 40.500 29.443 32.293 1.00 17.95 H new ATOM 0 HA VAL A 122 42.301 29.437 30.295 1.00 4.39 H new ATOM 0 HB VAL A 122 42.852 31.846 30.712 1.00 5.19 H new ATOM 0 HG11 VAL A 122 40.909 32.374 29.554 1.00 9.25 H new ATOM 0 HG12 VAL A 122 41.442 30.992 28.993 1.00 9.25 H new ATOM 0 HG13 VAL A 122 40.228 31.019 30.010 1.00 9.25 H new ATOM 0 HG21 VAL A 122 41.527 32.899 32.159 1.00 4.02 H new ATOM 0 HG22 VAL A 122 40.788 31.549 32.535 1.00 4.02 H new ATOM 0 HG23 VAL A 122 42.306 31.758 32.934 1.00 4.02 H new ATOM 935 N GLY A 123 43.043 29.261 33.244 1.00 16.68 N ATOM 936 CA GLY A 123 44.052 29.101 34.226 1.00 21.66 C ATOM 937 C GLY A 123 44.993 30.412 34.459 1.00 21.90 C ATOM 938 O GLY A 123 44.537 31.397 34.967 1.00 19.61 O ATOM 0 H GLY A 123 42.244 29.052 33.483 1.00 16.68 H new ATOM 0 HA2 GLY A 123 43.632 28.866 35.068 1.00 21.66 H new ATOM 0 HA3 GLY A 123 44.617 28.354 33.973 1.00 21.66 H new ATOM 939 N ALA A 124 46.282 30.280 34.361 1.00 25.26 N ATOM 940 CA ALA A 124 47.382 31.346 34.830 1.00 18.65 C ATOM 941 C ALA A 124 47.446 32.591 33.989 1.00 12.03 C ATOM 942 O ALA A 124 48.187 33.631 34.413 1.00 19.99 O ATOM 943 CB ALA A 124 48.821 30.966 34.744 1.00 19.38 C ATOM 0 H ALA A 124 46.637 29.575 34.020 1.00 25.26 H new ATOM 0 HA ALA A 124 47.061 31.439 35.741 1.00 18.65 H new ATOM 0 HB1 ALA A 124 49.370 31.702 35.058 1.00 19.38 H new ATOM 0 HB2 ALA A 124 48.983 30.184 35.295 1.00 19.38 H new ATOM 0 HB3 ALA A 124 49.048 30.765 33.823 1.00 19.38 H new ATOM 944 N LYS A 125 46.702 32.449 32.866 1.00 13.65 N ATOM 945 CA LYS A 125 46.549 33.636 32.058 1.00 18.02 C ATOM 946 C LYS A 125 45.556 34.504 32.652 1.00 15.12 C ATOM 947 O LYS A 125 45.251 35.470 31.992 1.00 16.22 O ATOM 948 CB LYS A 125 46.191 33.224 30.607 1.00 22.72 C ATOM 949 CG LYS A 125 47.250 32.388 30.067 1.00 37.12 C ATOM 950 CD LYS A 125 47.164 32.183 28.550 1.00 25.24 C ATOM 951 CE LYS A 125 45.762 31.468 28.106 1.00 36.11 C ATOM 952 NZ LYS A 125 45.543 30.053 28.572 1.00 34.81 N ATOM 0 H LYS A 125 46.316 31.732 32.589 1.00 13.65 H new ATOM 0 HA LYS A 125 47.380 34.135 32.023 1.00 18.02 H new ATOM 0 HB2 LYS A 125 45.348 32.744 30.595 1.00 22.72 H new ATOM 0 HB3 LYS A 125 46.075 34.013 30.055 1.00 22.72 H new ATOM 0 HG2 LYS A 125 48.107 32.787 30.283 1.00 37.12 H new ATOM 0 HG3 LYS A 125 47.222 31.522 30.504 1.00 37.12 H new ATOM 0 HD2 LYS A 125 47.244 33.040 28.104 1.00 25.24 H new ATOM 0 HD3 LYS A 125 47.911 31.639 28.255 1.00 25.24 H new ATOM 0 HE2 LYS A 125 45.029 32.011 28.435 1.00 36.11 H new ATOM 0 HE3 LYS A 125 45.711 31.478 27.137 1.00 36.11 H new ATOM 0 HZ1 LYS A 125 44.674 29.915 28.706 1.00 34.81 H new ATOM 0 HZ2 LYS A 125 45.841 29.487 27.953 1.00 34.81 H new ATOM 0 HZ3 LYS A 125 45.985 29.919 29.333 1.00 34.81 H new ATOM 953 N TRP A 126 44.897 34.072 33.766 1.00 10.81 N ATOM 954 CA TRP A 126 43.779 34.771 34.219 1.00 17.20 C ATOM 955 C TRP A 126 44.326 36.219 34.668 1.00 22.69 C ATOM 956 O TRP A 126 45.496 36.407 35.153 1.00 16.76 O ATOM 957 CB TRP A 126 43.043 33.951 35.381 1.00 10.73 C ATOM 958 CG TRP A 126 41.744 34.510 35.732 1.00 20.64 C ATOM 959 CD1 TRP A 126 40.512 34.281 35.123 1.00 21.83 C ATOM 960 CD2 TRP A 126 41.598 35.351 36.807 1.00 28.21 C ATOM 961 NE1 TRP A 126 39.596 34.945 35.836 1.00 24.95 N ATOM 962 CE2 TRP A 126 40.231 35.544 36.829 1.00 11.22 C ATOM 963 CE3 TRP A 126 42.527 35.935 37.730 1.00 26.04 C ATOM 964 CZ2 TRP A 126 39.757 36.355 37.757 1.00 34.95 C ATOM 965 CZ3 TRP A 126 42.031 36.774 38.671 1.00 48.09 C ATOM 966 CH2 TRP A 126 40.692 36.976 38.676 1.00 45.53 C ATOM 0 H TRP A 126 45.115 33.383 34.232 1.00 10.81 H new ATOM 0 HA TRP A 126 43.097 34.886 33.539 1.00 17.20 H new ATOM 0 HB2 TRP A 126 42.928 33.030 35.098 1.00 10.73 H new ATOM 0 HB3 TRP A 126 43.608 33.937 36.169 1.00 10.73 H new ATOM 0 HD1 TRP A 126 40.356 33.765 34.365 1.00 21.83 H new ATOM 0 HE1 TRP A 126 38.751 34.977 35.678 1.00 24.95 H new ATOM 0 HE3 TRP A 126 43.436 35.745 37.684 1.00 26.04 H new ATOM 0 HZ2 TRP A 126 38.845 36.524 37.820 1.00 34.95 H new ATOM 0 HZ3 TRP A 126 42.587 37.194 39.288 1.00 48.09 H new ATOM 0 HH2 TRP A 126 40.346 37.556 39.316 1.00 45.53 H new ATOM 967 N SER A 127 43.603 37.208 34.391 1.00 16.39 N ATOM 968 CA SER A 127 44.005 38.636 34.802 1.00 17.58 C ATOM 969 C SER A 127 42.769 39.273 35.211 1.00 18.70 C ATOM 970 O SER A 127 41.606 38.651 34.912 1.00 11.45 O ATOM 971 CB SER A 127 44.752 39.446 33.648 1.00 9.30 C ATOM 972 OG SER A 127 43.851 39.590 32.574 1.00 14.62 O ATOM 0 H SER A 127 42.857 37.156 33.966 1.00 16.39 H new ATOM 0 HA SER A 127 44.658 38.616 35.519 1.00 17.58 H new ATOM 0 HB2 SER A 127 45.037 40.315 33.972 1.00 9.30 H new ATOM 0 HB3 SER A 127 45.550 38.974 33.362 1.00 9.30 H new ATOM 0 HG SER A 127 44.222 40.016 31.952 1.00 14.62 H new ATOM 973 N GLU A 128 43.022 40.412 35.904 1.00 17.02 N ATOM 974 CA GLU A 128 41.930 41.190 36.263 1.00 15.78 C ATOM 975 C GLU A 128 41.262 41.633 35.029 1.00 5.21 C ATOM 976 O GLU A 128 40.022 41.670 35.023 1.00 19.15 O ATOM 977 CB GLU A 128 42.428 42.424 37.142 1.00 19.11 C ATOM 978 CG GLU A 128 42.820 41.938 38.532 1.00 53.10 C ATOM 979 CD GLU A 128 43.359 43.151 39.404 0.00 0.00 C ATOM 980 OE1 GLU A 128 44.346 43.080 40.165 0.00 0.00 O ATOM 981 OE2 GLU A 128 42.624 44.039 39.628 0.00 0.00 O ATOM 0 H GLU A 128 43.796 40.701 36.144 1.00 17.02 H new ATOM 0 HA GLU A 128 41.298 40.686 36.798 1.00 15.78 H new ATOM 0 HB2 GLU A 128 43.186 42.853 36.714 1.00 19.11 H new ATOM 0 HB3 GLU A 128 41.726 43.090 37.208 1.00 19.11 H new ATOM 0 HG2 GLU A 128 42.054 41.532 38.968 1.00 53.10 H new ATOM 0 HG3 GLU A 128 43.503 41.253 38.462 1.00 53.10 H new ATOM 982 N GLU A 129 42.117 42.082 34.072 1.00 5.28 N ATOM 983 CA GLU A 129 41.640 42.603 32.819 1.00 7.52 C ATOM 984 C GLU A 129 40.642 41.529 32.097 1.00 11.05 C ATOM 985 O GLU A 129 39.613 41.786 31.488 1.00 15.79 O ATOM 986 CB GLU A 129 42.884 42.929 31.911 1.00 8.45 C ATOM 987 CG GLU A 129 42.470 43.610 30.623 1.00 31.89 C ATOM 988 CD GLU A 129 42.508 45.111 30.902 1.00 45.02 C ATOM 989 OE1 GLU A 129 43.146 45.904 30.069 1.00 45.32 O ATOM 990 OE2 GLU A 129 41.754 45.545 31.767 1.00 37.80 O ATOM 0 H GLU A 129 42.973 42.082 34.154 1.00 5.28 H new ATOM 0 HA GLU A 129 41.129 43.414 32.966 1.00 7.52 H new ATOM 0 HB2 GLU A 129 43.499 43.500 32.397 1.00 8.45 H new ATOM 0 HB3 GLU A 129 43.360 42.109 31.706 1.00 8.45 H new ATOM 0 HG2 GLU A 129 43.072 43.377 29.899 1.00 31.89 H new ATOM 0 HG3 GLU A 129 41.581 43.330 30.354 1.00 31.89 H new ATOM 991 N LEU A 130 40.908 40.318 32.228 1.00 18.57 N ATOM 992 CA LEU A 130 39.999 39.171 31.625 1.00 20.48 C ATOM 993 C LEU A 130 38.658 38.851 32.382 1.00 3.00 C ATOM 994 O LEU A 130 37.596 38.651 31.735 1.00 16.59 O ATOM 995 CB LEU A 130 40.753 37.924 31.616 1.00 17.11 C ATOM 996 CG LEU A 130 39.940 36.592 31.058 1.00 10.67 C ATOM 997 CD1 LEU A 130 39.645 36.666 29.535 1.00 12.52 C ATOM 998 CD2 LEU A 130 40.732 35.431 31.305 1.00 24.91 C ATOM 0 H LEU A 130 41.598 40.029 32.652 1.00 18.57 H new ATOM 0 HA LEU A 130 39.755 39.513 30.751 1.00 20.48 H new ATOM 0 HB2 LEU A 130 41.546 38.049 31.071 1.00 17.11 H new ATOM 0 HB3 LEU A 130 41.055 37.742 32.520 1.00 17.11 H new ATOM 0 HG LEU A 130 39.091 36.555 31.525 1.00 10.67 H new ATOM 0 HD11 LEU A 130 39.170 35.867 29.258 1.00 12.52 H new ATOM 0 HD12 LEU A 130 39.100 37.447 29.348 1.00 12.52 H new ATOM 0 HD13 LEU A 130 40.480 36.731 29.046 1.00 12.52 H new ATOM 0 HD21 LEU A 130 40.264 34.645 30.982 1.00 24.91 H new ATOM 0 HD22 LEU A 130 41.581 35.514 30.843 1.00 24.91 H new ATOM 0 HD23 LEU A 130 40.890 35.343 32.258 1.00 24.91 H new ATOM 999 N ASN A 131 38.718 38.826 33.696 1.00 14.50 N ATOM 1000 CA ASN A 131 37.568 38.631 34.541 1.00 8.57 C ATOM 1001 C ASN A 131 36.705 39.743 34.290 1.00 15.99 C ATOM 1002 O ASN A 131 35.442 39.428 34.226 1.00 15.50 O ATOM 1003 CB ASN A 131 38.071 38.672 36.000 1.00 7.56 C ATOM 1004 CG ASN A 131 36.811 38.406 36.875 1.00 16.90 C ATOM 1005 OD1 ASN A 131 36.400 39.353 37.495 1.00 26.99 O ATOM 1006 ND2 ASN A 131 36.251 37.138 36.918 1.00 21.46 N ATOM 0 H ASN A 131 39.452 38.925 34.133 1.00 14.50 H new ATOM 0 HA ASN A 131 37.105 37.795 34.378 1.00 8.57 H new ATOM 0 HB2 ASN A 131 38.753 38.000 36.154 1.00 7.56 H new ATOM 0 HB3 ASN A 131 38.468 39.532 36.210 1.00 7.56 H new ATOM 0 HD21 ASN A 131 35.563 36.988 37.412 1.00 21.46 H new ATOM 0 HD22 ASN A 131 36.592 36.501 36.451 1.00 21.46 H new ATOM 1007 N SER A 132 37.373 41.002 34.095 1.00 11.06 N ATOM 1008 CA SER A 132 36.596 42.127 33.928 1.00 5.12 C ATOM 1009 C SER A 132 35.878 41.955 32.593 1.00 4.42 C ATOM 1010 O SER A 132 34.692 42.224 32.413 1.00 18.84 O ATOM 1011 CB SER A 132 37.530 43.476 33.995 1.00 3.00 C ATOM 1012 OG ASER A 132 38.419 43.583 32.871 0.33 4.47 O ATOM 1013 OG BSER A 132 38.117 43.509 35.251 0.33 3.00 O ATOM 1014 OG CSER A 132 36.939 44.434 33.194 0.33 10.13 O ATOM 0 H SER A 132 38.224 41.122 34.072 1.00 11.06 H new ATOM 0 HA SER A 132 35.940 42.234 34.634 1.00 5.12 H new ATOM 0 HB2ASER A 132 36.960 44.260 34.029 0.33 3.00 H new ATOM 0 HB2BSER A 132 38.208 43.458 33.301 0.33 3.00 H new ATOM 0 HB2CSER A 132 37.604 43.794 34.908 0.33 3.00 H new ATOM 0 HB3ASER A 132 38.049 43.467 34.815 0.33 3.00 H new ATOM 0 HB3BSER A 132 36.994 44.271 33.847 0.33 3.00 H new ATOM 0 HB3CSER A 132 38.430 43.283 33.688 0.33 3.00 H new ATOM 0 HG ASER A 132 38.557 42.819 32.549 0.33 10.13 H new ATOM 0 HG BSER A 132 38.816 43.044 35.246 0.33 10.13 H new ATOM 0 HG CSER A 132 37.399 45.137 33.212 0.33 10.13 H new ATOM 1015 N ALA A 133 36.625 41.544 31.645 1.00 8.73 N ATOM 1016 CA ALA A 133 36.018 41.383 30.295 1.00 16.59 C ATOM 1017 C ALA A 133 34.735 40.303 30.169 1.00 17.96 C ATOM 1018 O ALA A 133 33.667 40.531 29.608 1.00 12.90 O ATOM 1019 CB ALA A 133 37.078 41.093 29.278 1.00 7.76 C ATOM 0 H ALA A 133 37.460 41.347 31.711 1.00 8.73 H new ATOM 0 HA ALA A 133 35.602 42.241 30.115 1.00 16.59 H new ATOM 0 HB1 ALA A 133 36.669 40.991 28.404 1.00 7.76 H new ATOM 0 HB2 ALA A 133 37.713 41.826 29.254 1.00 7.76 H new ATOM 0 HB3 ALA A 133 37.540 40.274 29.516 1.00 7.76 H new ATOM 1020 N TRP A 134 34.787 39.135 30.752 1.00 15.24 N ATOM 1021 CA TRP A 134 33.586 38.075 30.705 1.00 9.38 C ATOM 1022 C TRP A 134 32.469 38.495 31.575 1.00 14.11 C ATOM 1023 O TRP A 134 31.268 38.079 31.235 1.00 16.40 O ATOM 1024 CB TRP A 134 33.942 36.753 31.283 1.00 6.71 C ATOM 1025 CG TRP A 134 34.576 35.901 30.238 1.00 7.67 C ATOM 1026 CD1 TRP A 134 35.904 35.862 30.041 1.00 7.31 C ATOM 1027 CD2 TRP A 134 33.897 34.975 29.302 1.00 9.44 C ATOM 1028 NE1 TRP A 134 36.073 34.973 28.975 1.00 7.01 N ATOM 1029 CE2 TRP A 134 34.897 34.460 28.540 1.00 12.36 C ATOM 1030 CE3 TRP A 134 32.530 34.545 29.081 1.00 22.88 C ATOM 1031 CZ2 TRP A 134 34.570 33.501 27.513 1.00 9.18 C ATOM 1032 CZ3 TRP A 134 32.190 33.643 28.017 1.00 11.26 C ATOM 1033 CH2 TRP A 134 33.183 33.138 27.246 1.00 13.86 C ATOM 0 H TRP A 134 35.470 38.862 31.198 1.00 15.24 H new ATOM 0 HA TRP A 134 33.368 38.022 29.761 1.00 9.38 H new ATOM 0 HB2 TRP A 134 34.550 36.870 32.030 1.00 6.71 H new ATOM 0 HB3 TRP A 134 33.148 36.317 31.630 1.00 6.71 H new ATOM 0 HD1 TRP A 134 36.563 36.323 30.508 1.00 7.31 H new ATOM 0 HE1 TRP A 134 36.837 34.774 28.634 1.00 7.01 H new ATOM 0 HE3 TRP A 134 31.858 34.861 29.641 1.00 22.88 H new ATOM 0 HZ2 TRP A 134 35.251 33.110 27.016 1.00 9.18 H new ATOM 0 HZ3 TRP A 134 31.304 33.409 27.860 1.00 11.26 H new ATOM 0 HH2 TRP A 134 32.980 32.560 26.546 1.00 13.86 H new ATOM 1034 N THR A 135 32.867 39.290 32.632 1.00 11.79 N ATOM 1035 CA THR A 135 31.842 39.782 33.498 1.00 16.99 C ATOM 1036 C THR A 135 31.046 40.763 32.780 1.00 5.76 C ATOM 1037 O THR A 135 29.789 40.575 32.830 1.00 13.76 O ATOM 1038 CB THR A 135 32.537 40.386 34.759 1.00 8.93 C ATOM 1039 OG1 THR A 135 33.073 39.353 35.483 1.00 10.42 O ATOM 1040 CG2 THR A 135 31.613 41.029 35.703 1.00 22.19 C ATOM 0 H THR A 135 33.674 39.519 32.821 1.00 11.79 H new ATOM 0 HA THR A 135 31.239 39.078 33.785 1.00 16.99 H new ATOM 0 HB THR A 135 33.171 41.038 34.422 1.00 8.93 H new ATOM 0 HG1 THR A 135 33.860 39.209 35.226 1.00 10.42 H new ATOM 0 HG21 THR A 135 32.112 41.379 36.457 1.00 22.19 H new ATOM 0 HG22 THR A 135 31.149 41.755 35.258 1.00 22.19 H new ATOM 0 HG23 THR A 135 30.967 40.378 36.018 1.00 22.19 H new ATOM 1041 N ILE A 136 31.744 41.705 32.014 1.00 6.12 N ATOM 1042 CA ILE A 136 31.078 42.638 31.327 1.00 6.35 C ATOM 1043 C ILE A 136 30.146 41.900 30.300 1.00 3.00 C ATOM 1044 O ILE A 136 29.006 42.227 30.108 1.00 18.45 O ATOM 1045 CB ILE A 136 32.167 43.709 30.669 1.00 14.41 C ATOM 1046 CG1 ILE A 136 32.985 44.559 31.768 1.00 23.92 C ATOM 1047 CG2 ILE A 136 31.566 44.658 29.714 1.00 19.60 C ATOM 1048 CD1 ILE A 136 34.265 45.470 31.195 1.00 20.70 C ATOM 0 H ILE A 136 32.600 41.740 31.942 1.00 6.12 H new ATOM 0 HA ILE A 136 30.497 43.181 31.882 1.00 6.35 H new ATOM 0 HB ILE A 136 32.780 43.127 30.194 1.00 14.41 H new ATOM 0 HG12 ILE A 136 32.364 45.154 32.217 1.00 23.92 H new ATOM 0 HG13 ILE A 136 33.324 43.945 32.438 1.00 23.92 H new ATOM 0 HG21 ILE A 136 32.253 45.250 29.370 1.00 19.60 H new ATOM 0 HG22 ILE A 136 31.165 44.168 28.979 1.00 19.60 H new ATOM 0 HG23 ILE A 136 30.884 45.181 30.163 1.00 19.60 H new ATOM 0 HD11 ILE A 136 34.685 45.938 31.933 1.00 20.70 H new ATOM 0 HD12 ILE A 136 34.914 44.886 30.772 1.00 20.70 H new ATOM 0 HD13 ILE A 136 33.939 46.114 30.547 1.00 20.70 H new ATOM 1049 N ALA A 137 30.686 41.080 29.548 1.00 11.53 N ATOM 1050 CA ALA A 137 29.898 40.394 28.423 1.00 15.56 C ATOM 1051 C ALA A 137 28.576 39.512 28.895 1.00 16.19 C ATOM 1052 O ALA A 137 27.493 39.455 28.237 1.00 10.82 O ATOM 1053 CB ALA A 137 30.785 39.527 27.659 1.00 6.24 C ATOM 0 H ALA A 137 31.512 40.846 29.602 1.00 11.53 H new ATOM 0 HA ALA A 137 29.548 41.127 27.892 1.00 15.56 H new ATOM 0 HB1 ALA A 137 30.284 39.095 26.949 1.00 6.24 H new ATOM 0 HB2 ALA A 137 31.501 40.055 27.273 1.00 6.24 H new ATOM 0 HB3 ALA A 137 31.162 38.852 28.245 1.00 6.24 H new ATOM 1054 N TYR A 138 28.677 38.835 30.027 1.00 6.60 N ATOM 1055 CA TYR A 138 27.516 37.987 30.618 1.00 7.12 C ATOM 1056 C TYR A 138 26.513 38.903 31.118 1.00 11.32 C ATOM 1057 O TYR A 138 25.307 38.638 30.757 1.00 19.62 O ATOM 1058 CB TYR A 138 27.958 37.208 31.839 1.00 4.97 C ATOM 1059 CG TYR A 138 26.690 36.233 32.355 1.00 18.28 C ATOM 1060 CD1 TYR A 138 25.828 36.683 33.288 1.00 14.76 C ATOM 1061 CD2 TYR A 138 26.395 34.926 31.864 1.00 14.09 C ATOM 1062 CE1 TYR A 138 24.701 35.824 33.748 1.00 9.62 C ATOM 1063 CE2 TYR A 138 25.273 34.027 32.363 1.00 16.25 C ATOM 1064 CZ TYR A 138 24.449 34.482 33.322 1.00 11.12 C ATOM 1065 OH TYR A 138 23.311 33.583 33.854 1.00 9.80 O ATOM 0 H TYR A 138 29.392 38.823 30.505 1.00 6.60 H new ATOM 0 HA TYR A 138 27.204 37.388 29.922 1.00 7.12 H new ATOM 0 HB2 TYR A 138 28.733 36.665 31.627 1.00 4.97 H new ATOM 0 HB3 TYR A 138 28.222 37.816 32.547 1.00 4.97 H new ATOM 0 HD1 TYR A 138 25.937 37.534 33.647 1.00 14.76 H new ATOM 0 HD2 TYR A 138 26.934 34.596 31.182 1.00 14.09 H new ATOM 0 HE1 TYR A 138 24.111 36.192 34.365 1.00 9.62 H new ATOM 0 HE2 TYR A 138 25.159 33.175 32.009 1.00 16.25 H new ATOM 0 HH TYR A 138 23.251 33.670 34.687 1.00 9.80 H new ATOM 1066 N ASP A 139 26.978 39.925 31.960 1.00 15.78 N ATOM 1067 CA ASP A 139 26.063 40.833 32.462 1.00 11.59 C ATOM 1068 C ASP A 139 25.315 41.466 31.339 1.00 4.30 C ATOM 1069 O ASP A 139 24.102 41.608 31.507 1.00 13.01 O ATOM 1070 CB ASP A 139 26.951 42.025 33.100 1.00 9.89 C ATOM 1071 CG ASP A 139 27.237 41.549 34.468 1.00 11.69 C ATOM 1072 OD1 ASP A 139 26.626 40.436 34.874 1.00 12.27 O ATOM 1073 OD2 ASP A 139 28.181 42.196 35.130 1.00 17.67 O ATOM 0 H ASP A 139 27.796 40.044 32.199 1.00 15.78 H new ATOM 0 HA ASP A 139 25.455 40.400 33.081 1.00 11.59 H new ATOM 0 HB2 ASP A 139 27.766 42.172 32.595 1.00 9.89 H new ATOM 0 HB3 ASP A 139 26.467 42.866 33.108 1.00 9.89 H new ATOM 1074 N GLU A 140 26.025 41.916 30.295 1.00 3.93 N ATOM 1075 CA GLU A 140 25.405 42.559 29.169 1.00 10.62 C ATOM 1076 C GLU A 140 24.371 41.579 28.416 1.00 19.39 C ATOM 1077 O GLU A 140 23.272 41.918 28.036 1.00 12.75 O ATOM 1078 CB GLU A 140 26.514 43.231 28.211 1.00 3.59 C ATOM 1079 CG GLU A 140 27.379 44.485 28.927 1.00 18.56 C ATOM 1080 CD GLU A 140 26.582 45.600 29.429 1.00 32.53 C ATOM 1081 OE1 GLU A 140 25.475 45.832 28.942 1.00 16.18 O ATOM 1082 OE2 GLU A 140 27.130 46.416 30.294 1.00 22.11 O ATOM 0 H GLU A 140 26.880 41.849 30.235 1.00 3.93 H new ATOM 0 HA GLU A 140 24.857 43.293 29.488 1.00 10.62 H new ATOM 0 HB2 GLU A 140 27.137 42.545 27.924 1.00 3.59 H new ATOM 0 HB3 GLU A 140 26.076 43.568 27.414 1.00 3.59 H new ATOM 0 HG2 GLU A 140 27.895 44.121 29.663 1.00 18.56 H new ATOM 0 HG3 GLU A 140 28.014 44.829 28.279 1.00 18.56 H new ATOM 1083 N LEU A 141 24.741 40.390 28.220 1.00 12.92 N ATOM 1084 CA LEU A 141 23.804 39.334 27.573 1.00 6.67 C ATOM 1085 C LEU A 141 22.526 38.928 28.439 1.00 7.91 C ATOM 1086 O LEU A 141 21.373 38.696 27.904 1.00 17.49 O ATOM 1087 CB LEU A 141 24.518 38.081 27.236 1.00 8.40 C ATOM 1088 CG LEU A 141 23.574 36.968 26.413 1.00 4.38 C ATOM 1089 CD1 LEU A 141 23.046 37.558 25.113 1.00 5.93 C ATOM 1090 CD2 LEU A 141 24.415 35.848 26.009 1.00 3.00 C ATOM 0 H LEU A 141 25.520 40.091 28.427 1.00 12.92 H new ATOM 0 HA LEU A 141 23.494 39.792 26.776 1.00 6.67 H new ATOM 0 HB2 LEU A 141 25.295 38.296 26.696 1.00 8.40 H new ATOM 0 HB3 LEU A 141 24.844 37.674 28.054 1.00 8.40 H new ATOM 0 HG LEU A 141 22.847 36.708 27.000 1.00 4.38 H new ATOM 0 HD11 LEU A 141 22.503 36.897 24.654 1.00 5.93 H new ATOM 0 HD12 LEU A 141 22.506 38.340 25.308 1.00 5.93 H new ATOM 0 HD13 LEU A 141 23.791 37.813 24.547 1.00 5.93 H new ATOM 0 HD21 LEU A 141 23.879 35.196 25.531 1.00 3.00 H new ATOM 0 HD22 LEU A 141 25.125 36.168 25.431 1.00 3.00 H new ATOM 0 HD23 LEU A 141 24.802 35.433 26.796 1.00 3.00 H new ATOM 1091 N ALA A 142 22.724 38.796 29.735 1.00 8.15 N ATOM 1092 CA ALA A 142 21.626 38.424 30.679 1.00 13.70 C ATOM 1093 C ALA A 142 20.674 39.485 30.769 1.00 25.08 C ATOM 1094 O ALA A 142 19.416 39.114 30.879 1.00 11.92 O ATOM 1095 CB ALA A 142 22.248 38.191 32.055 1.00 4.47 C ATOM 0 H ALA A 142 23.487 38.914 30.114 1.00 8.15 H new ATOM 0 HA ALA A 142 21.174 37.626 30.363 1.00 13.70 H new ATOM 0 HB1 ALA A 142 21.554 37.948 32.687 1.00 4.47 H new ATOM 0 HB2 ALA A 142 22.899 37.474 31.999 1.00 4.47 H new ATOM 0 HB3 ALA A 142 22.686 39.003 32.354 1.00 4.47 H new ATOM 1096 N ILE A 143 21.221 40.779 30.575 1.00 18.45 N ATOM 1097 CA ILE A 143 20.322 41.842 30.651 1.00 15.82 C ATOM 1098 C ILE A 143 19.266 41.642 29.544 1.00 15.72 C ATOM 1099 O ILE A 143 18.068 41.836 29.769 1.00 17.39 O ATOM 1100 CB ILE A 143 21.210 43.263 30.563 1.00 13.11 C ATOM 1101 CG1 ILE A 143 21.925 43.580 31.891 1.00 9.08 C ATOM 1102 CG2 ILE A 143 20.403 44.411 30.241 1.00 22.92 C ATOM 1103 CD1 ILE A 143 22.875 44.954 31.745 1.00 21.96 C ATOM 0 H ILE A 143 22.044 40.973 30.417 1.00 18.45 H new ATOM 0 HA ILE A 143 19.827 41.888 31.484 1.00 15.82 H new ATOM 0 HB ILE A 143 21.852 43.103 29.854 1.00 13.11 H new ATOM 0 HG12 ILE A 143 21.269 43.709 32.593 1.00 9.08 H new ATOM 0 HG13 ILE A 143 22.477 42.827 32.153 1.00 9.08 H new ATOM 0 HG21 ILE A 143 20.964 45.201 30.203 1.00 22.92 H new ATOM 0 HG22 ILE A 143 19.977 44.276 29.380 1.00 22.92 H new ATOM 0 HG23 ILE A 143 19.723 44.530 30.922 1.00 22.92 H new ATOM 0 HD11 ILE A 143 23.315 45.135 32.590 1.00 21.96 H new ATOM 0 HD12 ILE A 143 23.544 44.814 31.057 1.00 21.96 H new ATOM 0 HD13 ILE A 143 22.317 45.710 31.503 1.00 21.96 H new ATOM 1104 N VAL A 144 19.751 41.242 28.394 1.00 8.19 N ATOM 1105 CA VAL A 144 18.956 41.061 27.161 1.00 18.97 C ATOM 1106 C VAL A 144 17.905 39.781 27.222 1.00 23.97 C ATOM 1107 O VAL A 144 16.690 39.839 26.999 1.00 22.95 O ATOM 1108 CB VAL A 144 19.869 40.970 25.919 1.00 18.38 C ATOM 1109 CG1 VAL A 144 19.012 40.668 24.664 1.00 21.63 C ATOM 1110 CG2 VAL A 144 20.924 42.246 25.692 1.00 24.24 C ATOM 0 H VAL A 144 20.584 41.056 28.286 1.00 8.19 H new ATOM 0 HA VAL A 144 18.402 41.854 27.086 1.00 18.97 H new ATOM 0 HB VAL A 144 20.474 40.230 26.086 1.00 18.38 H new ATOM 0 HG11 VAL A 144 19.587 40.611 23.885 1.00 21.63 H new ATOM 0 HG12 VAL A 144 18.547 39.825 24.784 1.00 21.63 H new ATOM 0 HG13 VAL A 144 18.364 41.378 24.536 1.00 21.63 H new ATOM 0 HG21 VAL A 144 21.449 42.094 24.891 1.00 24.24 H new ATOM 0 HG22 VAL A 144 20.420 43.069 25.596 1.00 24.24 H new ATOM 0 HG23 VAL A 144 21.516 42.317 26.457 1.00 24.24 H new ATOM 1111 N ILE A 145 18.323 38.713 27.743 1.00 17.70 N ATOM 1112 CA ILE A 145 17.368 37.465 27.939 1.00 24.97 C ATOM 1113 C ILE A 145 16.270 37.591 28.979 1.00 27.45 C ATOM 1114 O ILE A 145 15.055 37.214 28.671 1.00 26.61 O ATOM 1115 CB ILE A 145 18.129 36.240 28.208 1.00 30.11 C ATOM 1116 CG1 ILE A 145 19.014 36.020 26.979 1.00 13.39 C ATOM 1117 CG2 ILE A 145 17.119 34.923 28.481 1.00 28.64 C ATOM 1118 CD1 ILE A 145 19.936 34.958 27.221 1.00 14.64 C ATOM 0 H ILE A 145 19.129 38.594 28.018 1.00 17.70 H new ATOM 0 HA ILE A 145 16.911 37.424 27.084 1.00 24.97 H new ATOM 0 HB ILE A 145 18.659 36.330 29.015 1.00 30.11 H new ATOM 0 HG12 ILE A 145 18.463 35.810 26.209 1.00 13.39 H new ATOM 0 HG13 ILE A 145 19.496 36.835 26.769 1.00 13.39 H new ATOM 0 HG21 ILE A 145 17.656 34.134 28.655 1.00 28.64 H new ATOM 0 HG22 ILE A 145 16.552 35.103 29.247 1.00 28.64 H new ATOM 0 HG23 ILE A 145 16.566 34.771 27.699 1.00 28.64 H new ATOM 0 HD11 ILE A 145 20.492 34.827 26.437 1.00 14.64 H new ATOM 0 HD12 ILE A 145 20.497 35.183 27.980 1.00 14.64 H new ATOM 0 HD13 ILE A 145 19.447 34.142 27.411 1.00 14.64 H new ATOM 1119 N LYS A 146 16.686 38.200 30.115 1.00 10.35 N ATOM 1120 CA LYS A 146 15.794 38.460 31.162 1.00 5.02 C ATOM 1121 C LYS A 146 14.808 39.370 30.665 1.00 21.18 C ATOM 1122 O LYS A 146 13.656 39.233 31.198 1.00 28.93 O ATOM 1123 CB LYS A 146 16.670 39.148 32.306 1.00 15.80 C ATOM 1124 CG LYS A 146 17.003 38.064 33.266 1.00 14.79 C ATOM 1125 CD LYS A 146 18.292 38.485 34.063 1.00 10.63 C ATOM 1126 CE LYS A 146 18.373 39.829 34.748 1.00 28.31 C ATOM 1127 NZ LYS A 146 19.710 40.097 35.429 1.00 35.42 N ATOM 0 H LYS A 146 17.494 38.456 30.259 1.00 10.35 H new ATOM 0 HA LYS A 146 15.348 37.669 31.502 1.00 5.02 H new ATOM 0 HB2 LYS A 146 17.474 39.546 31.937 1.00 15.80 H new ATOM 0 HB3 LYS A 146 16.176 39.860 32.742 1.00 15.80 H new ATOM 0 HG2 LYS A 146 16.263 37.914 33.875 1.00 14.79 H new ATOM 0 HG3 LYS A 146 17.155 37.230 32.794 1.00 14.79 H new ATOM 0 HD2 LYS A 146 18.440 37.809 34.743 1.00 10.63 H new ATOM 0 HD3 LYS A 146 19.038 38.434 33.445 1.00 10.63 H new ATOM 0 HE2 LYS A 146 18.208 40.526 34.094 1.00 28.31 H new ATOM 0 HE3 LYS A 146 17.666 39.888 35.409 1.00 28.31 H new ATOM 0 HZ1 LYS A 146 19.719 40.927 35.749 1.00 35.42 H new ATOM 0 HZ2 LYS A 146 19.824 39.521 36.098 1.00 35.42 H new ATOM 0 HZ3 LYS A 146 20.369 39.999 34.839 1.00 35.42 H new ATOM 1128 N LYS A 147 15.230 40.241 29.718 1.00 19.72 N ATOM 1129 CA LYS A 147 14.319 41.140 29.198 1.00 24.26 C ATOM 1130 C LYS A 147 13.192 40.263 28.451 1.00 20.65 C ATOM 1131 O LYS A 147 11.971 40.457 28.526 1.00 29.35 O ATOM 1132 CB LYS A 147 15.084 42.216 28.224 1.00 31.69 C ATOM 1133 CG LYS A 147 14.210 43.287 27.788 1.00 42.28 C ATOM 1134 CD LYS A 147 14.977 44.457 26.960 0.00 0.00 C ATOM 1135 CE LYS A 147 15.468 43.974 25.612 0.00 0.00 C ATOM 1136 NZ LYS A 147 16.082 45.139 24.814 0.00 0.00 N ATOM 0 H LYS A 147 16.028 40.289 29.402 1.00 19.72 H new ATOM 0 HA LYS A 147 13.891 41.681 29.881 1.00 24.26 H new ATOM 0 HB2 LYS A 147 15.843 42.593 28.696 1.00 31.69 H new ATOM 0 HB3 LYS A 147 15.435 41.753 27.448 1.00 31.69 H new ATOM 0 HG2 LYS A 147 13.508 42.915 27.232 1.00 42.28 H new ATOM 0 HG3 LYS A 147 13.780 43.679 28.564 1.00 42.28 H new ATOM 0 HD2 LYS A 147 14.377 45.208 26.834 0.00 0.00 H new ATOM 0 HD3 LYS A 147 15.730 44.779 27.480 0.00 0.00 H new ATOM 0 HE2 LYS A 147 16.129 43.274 25.734 0.00 0.00 H new ATOM 0 HE3 LYS A 147 14.732 43.586 25.114 0.00 0.00 H new ATOM 0 HZ1 LYS A 147 16.366 44.841 24.025 0.00 0.00 H new ATOM 0 HZ2 LYS A 147 15.467 45.770 24.689 0.00 0.00 H new ATOM 0 HZ3 LYS A 147 16.768 45.480 25.267 0.00 0.00 H new ATOM 1137 N GLU A 148 13.664 39.387 27.670 1.00 15.04 N ATOM 1138 CA GLU A 148 12.726 38.530 26.769 1.00 14.33 C ATOM 1139 C GLU A 148 11.736 37.447 27.476 1.00 34.90 C ATOM 1140 O GLU A 148 10.560 37.059 27.007 1.00 32.25 O ATOM 1141 CB GLU A 148 13.518 37.868 25.730 1.00 5.45 C ATOM 1142 CG GLU A 148 14.458 38.918 24.915 1.00 29.92 C ATOM 1143 CD GLU A 148 13.609 39.888 24.277 1.00 45.62 C ATOM 1144 OE1 GLU A 148 12.694 39.448 23.468 1.00 37.71 O ATOM 1145 OE2 GLU A 148 13.920 41.146 24.430 1.00 47.30 O ATOM 0 H GLU A 148 14.502 39.212 27.587 1.00 15.04 H new ATOM 0 HA GLU A 148 12.105 39.187 26.417 1.00 14.33 H new ATOM 0 HB2 GLU A 148 14.075 37.185 26.135 1.00 5.45 H new ATOM 0 HB3 GLU A 148 12.924 37.418 25.109 1.00 5.45 H new ATOM 0 HG2 GLU A 148 15.076 39.357 25.520 1.00 29.92 H new ATOM 0 HG3 GLU A 148 14.992 38.450 24.254 1.00 29.92 H new ATOM 1146 N MET A 149 12.174 37.105 28.666 1.00 21.65 N ATOM 1147 CA MET A 149 11.335 36.214 29.600 1.00 20.57 C ATOM 1148 C MET A 149 10.218 36.882 30.239 1.00 28.71 C ATOM 1149 O MET A 149 9.042 36.229 30.379 1.00 27.01 O ATOM 1150 CB MET A 149 12.209 35.829 30.753 1.00 15.69 C ATOM 1151 CG MET A 149 13.112 34.814 30.259 1.00 15.11 C ATOM 1152 SD MET A 149 14.301 34.403 31.491 1.00 20.57 S ATOM 1153 CE MET A 149 13.257 33.961 32.931 1.00 15.48 C ATOM 0 H MET A 149 12.933 37.349 28.990 1.00 21.65 H new ATOM 0 HA MET A 149 11.004 35.492 29.043 1.00 20.57 H new ATOM 0 HB2 MET A 149 12.700 36.596 31.086 1.00 15.69 H new ATOM 0 HB3 MET A 149 11.678 35.490 31.491 1.00 15.69 H new ATOM 0 HG2 MET A 149 12.612 34.022 30.006 1.00 15.11 H new ATOM 0 HG3 MET A 149 13.561 35.133 29.460 1.00 15.11 H new ATOM 0 HE1 MET A 149 13.736 33.337 33.499 1.00 15.48 H new ATOM 0 HE2 MET A 149 13.047 34.762 33.437 1.00 15.48 H new ATOM 0 HE3 MET A 149 12.435 33.550 32.621 1.00 15.48 H new ATOM 1154 N ASP A 150 10.585 38.121 30.642 1.00 33.81 N ATOM 1155 CA ASP A 150 9.583 38.902 31.229 1.00 53.91 C ATOM 1156 C ASP A 150 8.492 39.121 30.223 1.00 44.43 C ATOM 1157 O ASP A 150 7.252 38.887 30.524 1.00 45.31 O ATOM 1158 CB ASP A 150 10.274 40.303 31.731 1.00 54.72 C ATOM 1159 CG ASP A 150 10.984 40.123 33.051 1.00 50.33 C ATOM 1160 OD1 ASP A 150 11.288 38.977 33.311 0.00 0.00 O ATOM 1161 OD2 ASP A 150 10.762 40.862 34.017 0.00 0.00 O ATOM 0 H ASP A 150 11.366 38.474 30.574 1.00 33.81 H new ATOM 0 HA ASP A 150 9.181 38.469 31.998 1.00 53.91 H new ATOM 0 HB2 ASP A 150 10.904 40.613 31.062 1.00 54.72 H new ATOM 0 HB3 ASP A 150 9.593 40.989 31.818 1.00 54.72 H new ATOM 1162 N ASP A 151 8.975 39.370 29.023 1.00 39.23 N ATOM 1163 CA ASP A 151 8.084 39.483 27.889 1.00 54.30 C ATOM 1164 C ASP A 151 7.275 38.137 27.451 1.00 58.88 C ATOM 1165 O ASP A 151 6.151 38.115 26.865 1.00 57.39 O ATOM 1166 CB ASP A 151 8.879 40.232 26.710 1.00 56.84 C ATOM 1167 CG ASP A 151 9.157 41.756 27.021 1.00 49.02 C ATOM 1168 OD1 ASP A 151 9.694 42.143 28.118 0.00 0.00 O ATOM 1169 OD2 ASP A 151 8.421 42.502 26.460 0.00 0.00 O ATOM 0 H ASP A 151 9.809 39.476 28.843 1.00 39.23 H new ATOM 0 HA ASP A 151 7.325 40.024 28.159 1.00 54.30 H new ATOM 0 HB2 ASP A 151 9.723 39.779 26.558 1.00 56.84 H new ATOM 0 HB3 ASP A 151 8.368 40.163 25.888 1.00 56.84 H new ATOM 1170 N ALA A 152 7.806 37.041 27.740 1.00 51.56 N ATOM 1171 CA ALA A 152 7.056 35.719 27.353 1.00 50.54 C ATOM 1172 C ALA A 152 5.992 35.175 28.388 1.00 56.45 C ATOM 1173 O ALA A 152 5.173 34.130 28.118 1.00 49.97 O ATOM 1174 CB ALA A 152 7.989 34.653 27.171 1.00 45.98 C ATOM 0 H ALA A 152 8.561 36.941 28.140 1.00 51.56 H new ATOM 0 HA ALA A 152 6.579 35.976 26.548 1.00 50.54 H new ATOM 0 HB1 ALA A 152 7.512 33.843 26.932 1.00 45.98 H new ATOM 0 HB2 ALA A 152 8.609 34.883 26.462 1.00 45.98 H new ATOM 0 HB3 ALA A 152 8.480 34.508 27.995 1.00 45.98 H new ATOM 1175 N ALA A 153 6.099 35.798 29.560 1.00 56.36 N ATOM 1176 CA ALA A 153 5.283 35.315 30.739 1.00 55.49 C ATOM 1177 C ALA A 153 3.902 35.796 30.800 1.00 50.86 C ATOM 1178 O ALA A 153 3.825 36.931 31.311 0.00 0.00 O ATOM 1179 CB ALA A 153 6.100 35.893 31.962 1.00 54.26 C ATOM 1180 OXT ALA A 153 2.943 35.245 30.082 0.00 0.00 O ATOM 0 H ALA A 153 6.607 36.474 29.715 1.00 56.36 H new ATOM 0 HA ALA A 153 5.176 34.352 30.704 1.00 55.49 H new ATOM 0 HB1 ALA A 153 5.663 35.642 32.791 1.00 54.26 H new ATOM 0 HB2 ALA A 153 7.000 35.532 31.950 1.00 54.26 H new ATOM 0 HB3 ALA A 153 6.139 36.860 31.897 1.00 54.26 H new TER 1181 ALA A 153 HETATM 1182 F F A 154 20.199 27.260 29.788 1.00 20.05 F HETATM 1183 FE HEM A 155 18.713 28.398 29.481 1.00 14.52 FE HETATM 1184 CHA HEM A 155 16.860 25.941 27.687 1.00 12.10 C HETATM 1185 CHB HEM A 155 20.550 29.738 26.843 1.00 13.08 C HETATM 1186 CHC HEM A 155 20.386 31.106 31.504 1.00 5.40 C HETATM 1187 CHD HEM A 155 17.266 26.978 32.426 1.00 15.17 C HETATM 1188 NA HEM A 155 18.678 27.950 27.686 1.00 3.00 N HETATM 1189 C1A HEM A 155 17.817 26.893 27.070 1.00 8.57 C HETATM 1190 C2A HEM A 155 18.157 26.887 25.672 1.00 19.54 C HETATM 1191 C3A HEM A 155 19.195 27.923 25.440 1.00 7.67 C HETATM 1192 C4A HEM A 155 19.534 28.603 26.702 1.00 23.58 C HETATM 1193 CMA HEM A 155 19.900 28.338 24.094 1.00 13.55 C HETATM 1194 CAA HEM A 155 17.489 25.836 24.664 1.00 33.07 C HETATM 1195 CBA HEM A 155 18.532 24.881 24.299 1.00 43.41 C HETATM 1196 CGA HEM A 155 17.871 23.782 23.348 0.00 0.00 C HETATM 1197 O1A HEM A 155 16.927 24.011 22.594 0.00 0.00 O HETATM 1198 O2A HEM A 155 18.435 22.763 23.128 0.00 0.00 O HETATM 1199 NB HEM A 155 20.255 30.164 29.223 1.00 12.85 N HETATM 1200 C1B HEM A 155 20.829 30.495 28.002 1.00 11.90 C HETATM 1201 C2B HEM A 155 21.805 31.708 28.141 1.00 11.84 C HETATM 1202 C3B HEM A 155 21.745 32.137 29.454 1.00 11.56 C HETATM 1203 C4B HEM A 155 20.723 31.126 30.125 1.00 4.71 C HETATM 1204 CMB HEM A 155 22.721 32.290 26.986 1.00 3.00 C HETATM 1205 CAB HEM A 155 22.578 33.393 30.147 1.00 14.32 C HETATM 1206 CBB HEM A 155 23.167 34.478 29.421 1.00 6.35 C HETATM 1207 NC HEM A 155 18.826 28.981 31.593 1.00 13.53 N HETATM 1208 C1C HEM A 155 19.516 30.139 32.185 1.00 12.39 C HETATM 1209 C2C HEM A 155 19.215 30.114 33.614 1.00 13.26 C HETATM 1210 C3C HEM A 155 18.391 28.939 33.859 1.00 20.88 C HETATM 1211 C4C HEM A 155 18.112 28.226 32.591 1.00 25.96 C HETATM 1212 CMC HEM A 155 19.738 31.163 34.698 1.00 4.22 C HETATM 1213 CAC HEM A 155 17.866 28.436 35.251 1.00 16.19 C HETATM 1214 CBC HEM A 155 18.393 27.462 35.895 1.00 3.71 C HETATM 1215 ND HEM A 155 17.318 26.735 30.001 1.00 24.88 N HETATM 1216 C1D HEM A 155 16.895 26.293 31.252 1.00 13.80 C HETATM 1217 C2D HEM A 155 15.892 25.045 31.118 1.00 13.54 C HETATM 1218 C3D HEM A 155 15.748 24.806 29.773 1.00 12.10 C HETATM 1219 C4D HEM A 155 16.659 25.837 29.070 1.00 16.29 C HETATM 1220 CMD HEM A 155 15.134 24.288 32.311 1.00 8.20 C HETATM 1221 CAD HEM A 155 14.798 23.676 29.067 1.00 13.80 C HETATM 1222 CBD HEM A 155 15.629 22.517 28.907 1.00 24.23 C HETATM 1223 CGD HEM A 155 14.648 21.216 28.656 1.00 47.71 C HETATM 1224 O1D HEM A 155 13.909 20.731 29.607 1.00 39.57 O HETATM 1225 O2D HEM A 155 14.956 20.418 27.779 1.00 46.21 O HETATM 0 HMA1 HEM A 155 20.136 29.278 24.129 1.00 13.55 H new HETATM 0 HMA2 HEM A 155 19.296 28.184 23.351 1.00 13.55 H new HETATM 0 HMA3 HEM A 155 20.703 27.808 23.972 1.00 13.55 H new HETATM 0 HMB1 HEM A 155 22.963 31.577 26.375 1.00 3.00 H new HETATM 0 HMB2 HEM A 155 23.525 32.672 27.372 1.00 3.00 H new HETATM 0 HMB3 HEM A 155 22.236 32.978 26.504 1.00 3.00 H new HETATM 0 HMC1 HEM A 155 20.602 31.509 34.424 1.00 4.22 H new HETATM 0 HMC2 HEM A 155 19.825 30.724 35.558 1.00 4.22 H new HETATM 0 HMC3 HEM A 155 19.106 31.895 34.772 1.00 4.22 H new HETATM 0 HMD1 HEM A 155 14.291 23.935 31.986 1.00 8.20 H new HETATM 0 HMD2 HEM A 155 14.965 24.912 33.035 1.00 8.20 H new HETATM 0 HMD3 HEM A 155 15.686 23.559 32.635 1.00 8.20 H new HETATM 0 HBB1 HEM A 155 23.640 35.179 29.896 1.00 6.35 H new HETATM 0 HBB2 HEM A 155 23.092 34.512 28.454 1.00 6.35 H new HETATM 0 HBC1 HEM A 155 18.027 27.193 36.752 1.00 3.71 H new HETATM 0 HBC2 HEM A 155 19.158 26.993 35.525 1.00 3.71 H new HETATM 0 HBA1 HEM A 155 18.905 24.465 25.092 1.00 43.41 H new HETATM 0 HBA2 HEM A 155 19.261 25.331 23.844 1.00 43.41 H new HETATM 0 HAA1 HEM A 155 17.143 26.286 23.877 1.00 33.07 H new HETATM 0 HAA2 HEM A 155 16.740 25.384 25.084 1.00 33.07 H new HETATM 0 HBD1 HEM A 155 16.177 22.381 29.696 1.00 24.23 H new HETATM 0 HBD2 HEM A 155 16.234 22.635 28.158 1.00 24.23 H new HETATM 0 HAD1 HEM A 155 14.464 23.987 28.211 1.00 13.80 H new HETATM 0 HAD2 HEM A 155 14.025 23.477 29.618 1.00 13.80 H new HETATM 0 HHA HEM A 155 16.368 25.385 27.127 1.00 12.10 H new HETATM 0 HHB HEM A 155 21.038 29.953 26.081 1.00 13.08 H new HETATM 0 HHC HEM A 155 20.756 31.777 32.032 1.00 5.40 H new HETATM 0 HHD HEM A 155 16.944 26.610 33.217 1.00 15.17 H new HETATM 0 HAB HEM A 155 22.673 33.393 31.112 1.00 14.32 H new HETATM 0 HAC HEM A 155 17.102 28.887 35.644 1.00 16.19 H new HETATM 1226 O HOH A 156 25.930 14.934 29.349 1.00 9.99 O HETATM 1227 O HOH A 157 28.417 16.560 28.866 1.00 12.94 O HETATM 1228 O HOH A 158 23.420 44.827 27.406 1.00 17.60 O HETATM 1229 O HOH A 159 47.279 35.377 36.809 1.00 24.46 O HETATM 1230 O HOH A 160 25.033 36.513 21.764 1.00 21.52 O HETATM 1231 O HOH A 161 26.820 36.277 40.281 1.00 29.70 O HETATM 1232 O HOH A 162 26.630 19.288 41.888 1.00 36.63 O HETATM 1233 O HOH A 163 31.496 50.609 15.229 1.00 27.00 O HETATM 1234 O HOH A 164 29.322 38.810 17.661 1.00 25.05 O HETATM 1235 O HOH A 165 27.933 51.923 19.938 1.00 12.72 O HETATM 1236 O HOH A 166 19.417 45.312 20.142 1.00 26.77 O HETATM 1237 O HOH A 167 21.429 47.562 20.860 1.00 16.87 O HETATM 1238 O HOH A 168 21.937 46.847 23.483 1.00 28.42 O HETATM 1239 O HOH A 169 24.485 46.624 25.256 1.00 22.90 O HETATM 1240 O HOH A 170 21.610 48.166 29.393 1.00 25.87 O HETATM 1241 O HOH A 171 24.608 48.120 29.843 1.00 11.89 O HETATM 1242 O HOH A 172 25.614 47.784 32.319 1.00 19.98 O HETATM 1243 O HOH A 173 15.913 30.435 20.536 1.00 43.71 O HETATM 1244 O HOH A 174 34.199 19.977 22.013 1.00 32.11 O HETATM 1245 O HOH A 175 19.395 19.917 24.018 1.00 53.09 O HETATM 1246 O HOH A 176 30.386 38.655 40.021 1.00 28.64 O HETATM 1247 O HOH A 177 33.031 39.798 38.224 1.00 18.35 O HETATM 1248 O HOH A 178 42.297 26.022 36.117 1.00 45.48 O HETATM 1249 O HOH A 179 29.706 51.222 25.058 1.00 15.15 O HETATM 1250 O HOH A 180 23.497 39.666 17.374 1.00 32.30 O HETATM 1251 O HOH A 181 29.727 25.744 20.280 1.00 51.17 O HETATM 1252 O HOH A 182 40.773 45.411 34.652 1.00 48.90 O HETATM 1253 O HOH A 183 13.438 35.517 40.444 1.00 24.11 O HETATM 1254 O HOH A 184 22.735 41.421 34.100 1.00 26.64 O HETATM 1255 O HOH A 185 13.288 23.636 41.589 1.00 48.30 O HETATM 1256 O HOH A 186 17.082 42.904 32.024 1.00 32.69 O HETATM 1257 O HOH A 187 25.722 38.752 39.422 1.00 44.15 O HETATM 1258 O HOH A 188 17.372 21.524 25.867 1.00 41.90 O HETATM 1259 O HOH A 189 21.428 46.604 27.149 1.00 40.51 O HETATM 1260 O HOH A 190 29.257 44.450 33.818 1.00 37.27 O HETATM 1261 O HOH A 191 38.150 41.974 37.520 1.00 43.13 O HETATM 1262 O HOH A 192 44.000 37.713 30.865 1.00 40.11 O HETATM 1263 O HOH A 193 47.271 27.813 33.419 1.00 50.81 O HETATM 1264 O HOH A 194 38.016 48.952 21.116 1.00 47.95 O HETATM 1265 O HOH A 195 25.074 39.317 21.012 1.00 49.37 O HETATM 1266 O HOH A 196 25.621 23.392 20.960 1.00 41.63 O HETATM 1267 O HOH A 197 31.843 48.606 24.885 1.00 42.09 O HETATM 1268 O HOH A 198 21.795 9.768 34.701 1.00 37.61 O HETATM 1269 O HOH A 199 20.050 9.616 31.507 1.00 36.91 O HETATM 1270 O HOH A 200 18.328 11.753 31.111 1.00 47.00 O HETATM 1271 O HOH A 201 35.642 15.446 25.994 1.00 39.41 O HETATM 1272 O HOH A 202 40.037 23.737 26.795 1.00 43.62 O HETATM 1273 O HOH A 203 42.575 32.316 26.393 1.00 43.63 O HETATM 1274 O HOH A 204 42.257 34.705 19.231 1.00 44.73 O HETATM 1275 O HOH A 205 42.044 37.420 20.256 1.00 49.55 O HETATM 1276 O HOH A 206 42.681 30.749 22.467 1.00 37.32 O HETATM 1277 O HOH A 207 16.886 12.261 43.208 1.00 56.05 O HETATM 1278 O HOH A 208 26.997 38.442 16.184 1.00 39.78 O HETATM 1279 O HOH A 209 29.225 14.860 21.939 1.00 40.31 O HETATM 1280 O HOH A 210 23.388 37.646 37.195 1.00 46.73 O HETATM 1281 O HOH A 211 20.623 38.505 37.739 1.00 36.65 O HETATM 1282 O HOH A 212 36.950 34.612 35.450 1.00 33.83 O HETATM 1283 O HOH A 213 11.672 35.892 37.291 1.00 32.57 O HETATM 1284 O HOH A 214 24.079 39.311 35.068 1.00 39.88 O HETATM 1285 O HOH A 215 30.386 27.109 22.863 1.00 36.96 O HETATM 1286 O HOH A 216 36.141 23.604 33.441 1.00 43.27 O HETATM 1287 O HOH A 217 27.976 51.123 36.187 1.00 38.54 O HETATM 1288 O HOH A 218 21.841 27.322 31.498 1.00 29.24 O HETATM 1289 O HOH A 219 46.315 37.306 29.919 1.00 52.48 O HETATM 1290 O HOH A 220 20.408 15.260 37.221 1.00 49.30 O HETATM 1291 O HOH A 221 45.540 42.305 24.506 1.00 51.58 O HETATM 1292 O HOH A 222 43.729 49.658 24.151 1.00 54.23 O CONECT 746 1183 CONECT 1182 1183 CONECT 1183 746 1182 1188 1199 CONECT 1183 1207 1215 CONECT 1184 1189 1219 CONECT 1185 1192 1200 CONECT 1186 1203 1208 CONECT 1187 1211 1216 CONECT 1188 1183 1189 1192 CONECT 1189 1184 1188 1190 CONECT 1190 1189 1191 1194 CONECT 1191 1190 1192 1193 CONECT 1192 1185 1188 1191 CONECT 1193 1191 CONECT 1194 1190 1195 CONECT 1195 1194 1196 CONECT 1196 1195 1197 1198 CONECT 1197 1196 CONECT 1198 1196 CONECT 1199 1183 1200 1203 CONECT 1200 1185 1199 1201 CONECT 1201 1200 1202 1204 CONECT 1202 1201 1203 1205 CONECT 1203 1186 1199 1202 CONECT 1204 1201 CONECT 1205 1202 1206 CONECT 1206 1205 CONECT 1207 1183 1208 1211 CONECT 1208 1186 1207 1209 CONECT 1209 1208 1210 1212 CONECT 1210 1209 1211 1213 CONECT 1211 1187 1207 1210 CONECT 1212 1209 CONECT 1213 1210 1214 CONECT 1214 1213 CONECT 1215 1183 1216 1219 CONECT 1216 1187 1215 1217 CONECT 1217 1216 1218 1220 CONECT 1218 1217 1219 1221 CONECT 1219 1184 1215 1218 CONECT 1220 1217 CONECT 1221 1218 1222 CONECT 1222 1221 1223 CONECT 1223 1222 1224 1225 CONECT 1224 1223 CONECT 1225 1223 END