USER MOD reduce.3.24.130724 H: found=0, std=0, add=1236, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER OXYGEN TRANSPORT 23-APR-82 1LH3 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 (CYANO 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 1LH3 1 VERSN REVDAT 2 30-SEP-83 1LH3 1 REVDAT REVDAT 1 20-JAN-83 1LH3 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 : 45 REMARK 3 SOLVENT ATOMS : 66 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 1LH3 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 (%): 55.43 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.76 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 46.59500 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 26.03500 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 46.59500 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 26.03500 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 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 = 7.56 ANGSTROMS 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 CYN A 154 C REMARK 620 2 HIS A 97 NE2 175.2 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 CYN A 154 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 155 DBREF 1LH3 A 1 153 UNP P02240 LGB2_LUPLU 1 153 SEQADV 1LH3 GLU A 79 UNP P02240 GLN 79 CONFLICT SEQADV 1LH3 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 CYN A 154 2 HET HEM A 155 43 HETNAM CYN CYANIDE ION HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETSYN HEM HEME FORMUL 2 CYN C N 1- FORMUL 3 HEM C34 H32 FE N4 O4 FORMUL 4 HOH *66(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 C CYN A 154 FE HEM A 155 1555 1555 2.08 LINK NE2 HIS A 97 FE HEM A 155 1555 1555 2.12 SITE *** AC1 3 HIS A 63 VAL A 67 HEM A 155 SITE *** AC2 14 LEU A 43 PHE A 44 SER A 45 HIS A 63 SITE *** AC2 14 VAL A 67 LEU A 93 HIS A 97 LYS A 100 SITE *** AC2 14 VAL A 102 HIS A 106 PHE A 107 VAL A 110 SITE *** AC2 14 TYR A 138 CYN A 154 CRYST1 93.190 38.410 52.070 90.00 90.00 98.90 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 0.010731 0.001680 0.000000 0.00000 SCALE2 0.000000 0.026352 0.000000 0.00000 SCALE3 0.000000 0.000000 0.019205 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= 0.481 K(o=1.4,f=-5.5!) USER MOD Set 1.2: A 132 SER OG A: rot -33:sc= 0.9 USER MOD Set 2.1: A 86 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 72 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 4 THR OG1 : rot 134:sc= 0.604 USER MOD Set 4.2: A 6 SER OG : rot 180:sc= 0.23 USER MOD Single : A 1 GLY N :NH3+ -166:sc= -0.0742 (180deg=-0.286) USER MOD Single : A 13 SER OG : rot 60:sc= 0.0044 USER MOD Single : A 14 SER OG : rot -6:sc= 0.888 USER MOD Single : A 19 ASN : amide:sc= 1.03 K(o=1,f=-0.86) USER MOD Single : A 21 ASN : amide:sc= -3.97! C(o=-4!,f=-1.1!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -1.96 K(o=-2,f=-0.73) USER MOD Single : A 26 THR OG1 : rot -73:sc= 1.33 USER MOD Single : A 27 HIS : no HD1:sc= -0.63 X(o=-0.63,f=-0.34) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -86:sc= 0.0168 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -68:sc= 1.74 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.171 K(o=-0.17,f=-1.9!) USER MOD Single : A 56 ASN : amide:sc= -0.0793 X(o=-0.079,f=-0.25) USER MOD Single : A 57 ASN : amide:sc= -1.59! C(o=-1.6!,f=-7.6!) USER MOD Single : A 61 GLN : amide:sc= -2.17! K(o=-2.2!,f=-0.11) USER MOD Single : A 63 HIS : no HD1:sc= -2.64! C(o=-2.6!,f=-4.4!) 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= -2.95! K(o=-2.9!,f=0.6) USER MOD Single : A 81 THR OG1 : rot -41:sc= 1.28 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.68 K(o=-0.68,f=-0.15) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= 1.08 K(o=1.1,f=-6!) USER MOD Single : A 111 LYS NZ :NH3+ 173:sc= 1.23 (180deg=1.11) USER MOD Single : A 116 LYS NZ :NH3+ 149:sc= -0.528 (180deg=-2.15) USER MOD Single : A 117 THR OG1 : rot 71:sc= 0.583 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 157:sc= 0.0212 (180deg=-0.248) USER MOD Single : A 127 SER OG : rot -63:sc= 1.65 USER MOD Single : A 131 ASN : amide:sc= 0.238 X(o=0.24,f=0.58) USER MOD Single : A 132 SER OG B: rot 75:sc= 1.13 USER MOD Single : A 132 SER OG C: rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot 82:sc= 2.28 USER MOD Single : A 138 TYR OH : rot -40:sc= 0.502 USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 MET CE :methyl 149:sc= -0.271 (180deg=-1.51!) USER MOD Single : A 155 HEM CMA :methyl -30:sc= -0.592 (180deg=-1.49) USER MOD Single : A 155 HEM CMB :methyl -30:sc= -1.74 (180deg=-4.15!) USER MOD Single : A 155 HEM CMC :methyl -30:sc= -0.39 (180deg=-1.94) USER MOD Single : A 155 HEM CMD :methyl -30:sc= -1.07 (180deg=-1.15) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 35.596 49.292 32.283 1.00 67.33 N ATOM 2 CA GLY A 1 36.753 48.869 31.538 1.00 64.64 C ATOM 3 C GLY A 1 36.625 49.038 30.025 1.00 68.26 C ATOM 4 O GLY A 1 37.667 49.262 29.306 0.00 0.00 O ATOM 0 H1 GLY A 1 35.806 49.359 33.145 1.00 67.33 H new ATOM 0 H2 GLY A 1 35.322 50.084 31.982 1.00 67.33 H new ATOM 0 H3 GLY A 1 34.944 48.695 32.183 1.00 67.33 H new ATOM 0 HA2 GLY A 1 37.523 49.372 31.845 1.00 64.64 H new ATOM 0 HA3 GLY A 1 36.927 47.935 31.735 1.00 64.64 H new ATOM 5 N ALA A 2 35.355 49.110 29.643 1.00 71.33 N ATOM 6 CA ALA A 2 34.838 49.404 28.312 1.00 61.44 C ATOM 7 C ALA A 2 34.673 48.221 27.337 1.00 47.12 C ATOM 8 O ALA A 2 33.671 48.061 26.578 1.00 55.83 O ATOM 9 CB ALA A 2 35.674 50.658 27.656 0.00 0.00 C ATOM 0 H ALA A 2 34.718 48.976 30.205 1.00 71.33 H new ATOM 0 HA ALA A 2 33.913 49.656 28.457 1.00 61.44 H new ATOM 0 HB1 ALA A 2 35.327 50.851 26.771 0.00 0.00 H new ATOM 0 HB2 ALA A 2 35.576 51.442 28.219 0.00 0.00 H new ATOM 0 HB3 ALA A 2 36.613 50.423 27.591 0.00 0.00 H new ATOM 10 N LEU A 3 35.731 47.618 27.197 1.00 56.04 N ATOM 11 CA LEU A 3 35.991 46.743 26.068 1.00 30.14 C ATOM 12 C LEU A 3 36.944 47.472 25.040 1.00 34.81 C ATOM 13 O LEU A 3 36.564 47.892 23.947 1.00 29.81 O ATOM 14 CB LEU A 3 34.813 45.758 25.522 1.00 34.51 C ATOM 15 CG LEU A 3 34.573 44.504 26.429 1.00 33.15 C ATOM 16 CD1 LEU A 3 33.057 44.081 26.703 1.00 45.81 C ATOM 17 CD2 LEU A 3 35.151 43.363 25.691 1.00 35.20 C ATOM 0 H LEU A 3 36.384 47.673 27.754 1.00 56.04 H new ATOM 0 HA LEU A 3 36.485 45.983 26.412 1.00 30.14 H new ATOM 0 HB2 LEU A 3 33.987 46.261 25.454 1.00 34.51 H new ATOM 0 HB3 LEU A 3 35.039 45.462 24.627 1.00 34.51 H new ATOM 0 HG LEU A 3 34.957 44.729 27.291 1.00 33.15 H new ATOM 0 HD11 LEU A 3 33.038 43.297 27.273 1.00 45.81 H new ATOM 0 HD12 LEU A 3 32.591 44.810 27.141 1.00 45.81 H new ATOM 0 HD13 LEU A 3 32.620 43.879 25.861 1.00 45.81 H new ATOM 0 HD21 LEU A 3 35.032 42.550 26.207 1.00 35.20 H new ATOM 0 HD22 LEU A 3 34.704 43.271 24.835 1.00 35.20 H new ATOM 0 HD23 LEU A 3 36.097 43.518 25.545 1.00 35.20 H new ATOM 18 N THR A 4 38.201 47.535 25.431 1.00 19.21 N ATOM 19 CA THR A 4 39.341 47.969 24.583 1.00 27.72 C ATOM 20 C THR A 4 39.656 46.848 23.670 1.00 17.70 C ATOM 21 O THR A 4 39.138 45.635 23.855 1.00 21.21 O ATOM 22 CB THR A 4 40.571 48.422 25.486 1.00 35.90 C ATOM 23 OG1 THR A 4 41.000 47.204 25.944 1.00 39.53 O ATOM 24 CG2 THR A 4 40.179 49.276 26.684 1.00 26.90 C ATOM 0 H THR A 4 38.443 47.321 26.228 1.00 19.21 H new ATOM 0 HA THR A 4 39.118 48.749 24.052 1.00 27.72 H new ATOM 0 HB THR A 4 41.207 48.965 24.995 1.00 35.90 H new ATOM 0 HG1 THR A 4 41.835 47.154 25.867 1.00 39.53 H new ATOM 0 HG21 THR A 4 40.974 49.514 27.186 1.00 26.90 H new ATOM 0 HG22 THR A 4 39.738 50.083 26.376 1.00 26.90 H new ATOM 0 HG23 THR A 4 39.575 48.776 27.254 1.00 26.90 H new ATOM 25 N GLU A 5 40.437 47.260 22.692 1.00 13.76 N ATOM 26 CA GLU A 5 40.798 46.335 21.713 1.00 18.20 C ATOM 27 C GLU A 5 41.535 45.287 22.391 1.00 29.88 C ATOM 28 O GLU A 5 41.327 44.093 21.976 1.00 26.20 O ATOM 29 CB GLU A 5 41.708 47.165 20.663 1.00 31.62 C ATOM 30 CG GLU A 5 41.885 46.335 19.378 1.00 58.59 C ATOM 31 CD GLU A 5 42.313 47.301 18.206 1.00 66.32 C ATOM 32 OE1 GLU A 5 41.432 47.890 17.636 1.00 55.75 O ATOM 33 OE2 GLU A 5 43.549 47.786 18.062 1.00 57.17 O ATOM 0 H GLU A 5 40.750 48.055 22.597 1.00 13.76 H new ATOM 0 HA GLU A 5 40.059 45.923 21.239 1.00 18.20 H new ATOM 0 HB2 GLU A 5 41.289 48.015 20.457 1.00 31.62 H new ATOM 0 HB3 GLU A 5 42.573 47.363 21.054 1.00 31.62 H new ATOM 0 HG2 GLU A 5 42.558 45.649 19.511 1.00 58.59 H new ATOM 0 HG3 GLU A 5 41.057 45.881 19.154 1.00 58.59 H new ATOM 34 N SER A 6 42.237 45.681 23.473 1.00 24.30 N ATOM 35 CA SER A 6 42.942 44.731 24.200 1.00 12.63 C ATOM 36 C SER A 6 41.999 43.783 25.097 1.00 11.40 C ATOM 37 O SER A 6 42.084 42.546 25.084 1.00 18.44 O ATOM 38 CB SER A 6 44.114 45.447 25.034 1.00 16.32 C ATOM 39 OG SER A 6 43.565 45.871 26.243 1.00 52.59 O ATOM 0 H SER A 6 42.291 46.489 23.764 1.00 24.30 H new ATOM 0 HA SER A 6 43.355 44.117 23.573 1.00 12.63 H new ATOM 0 HB2 SER A 6 44.848 44.832 25.189 1.00 16.32 H new ATOM 0 HB3 SER A 6 44.474 46.200 24.540 1.00 16.32 H new ATOM 0 HG SER A 6 44.158 46.249 26.703 1.00 52.59 H new ATOM 40 N GLN A 7 40.982 44.297 25.622 1.00 8.34 N ATOM 41 CA GLN A 7 40.008 43.416 26.415 1.00 14.09 C ATOM 42 C GLN A 7 39.249 42.332 25.523 1.00 14.53 C ATOM 43 O GLN A 7 38.985 41.134 25.940 1.00 19.78 O ATOM 44 CB GLN A 7 38.962 44.183 27.091 1.00 13.29 C ATOM 45 CG GLN A 7 39.549 44.835 28.392 1.00 21.45 C ATOM 46 CD GLN A 7 38.569 45.697 28.981 1.00 32.54 C ATOM 47 OE1 GLN A 7 38.204 46.608 28.270 1.00 34.21 O ATOM 48 NE2 GLN A 7 38.489 45.681 30.302 1.00 39.26 N ATOM 0 H GLN A 7 40.772 45.130 25.577 1.00 8.34 H new ATOM 0 HA GLN A 7 40.589 42.978 27.056 1.00 14.09 H new ATOM 0 HB2 GLN A 7 38.618 44.871 26.500 1.00 13.29 H new ATOM 0 HB3 GLN A 7 38.217 43.604 27.316 1.00 13.29 H new ATOM 0 HG2 GLN A 7 39.807 44.145 29.023 1.00 21.45 H new ATOM 0 HG3 GLN A 7 40.350 45.339 28.179 1.00 21.45 H new ATOM 0 HE21 GLN A 7 38.769 44.997 30.742 1.00 39.26 H new ATOM 0 HE22 GLN A 7 38.157 46.355 30.721 1.00 39.26 H new ATOM 49 N ALA A 8 38.963 42.764 24.339 1.00 18.20 N ATOM 50 CA ALA A 8 38.184 41.858 23.379 1.00 35.86 C ATOM 51 C ALA A 8 38.983 40.744 22.929 1.00 30.98 C ATOM 52 O ALA A 8 38.414 39.535 22.792 1.00 19.47 O ATOM 53 CB ALA A 8 37.675 42.656 22.187 1.00 17.94 C ATOM 0 H ALA A 8 39.176 43.537 24.029 1.00 18.20 H new ATOM 0 HA ALA A 8 37.426 41.500 23.867 1.00 35.86 H new ATOM 0 HB1 ALA A 8 37.185 42.069 21.590 1.00 17.94 H new ATOM 0 HB2 ALA A 8 37.089 43.363 22.498 1.00 17.94 H new ATOM 0 HB3 ALA A 8 38.427 43.045 21.713 1.00 17.94 H new ATOM 54 N ALA A 9 40.301 41.153 22.771 1.00 24.53 N ATOM 55 CA ALA A 9 41.178 40.207 22.344 1.00 17.90 C ATOM 56 C ALA A 9 41.289 39.143 23.425 1.00 22.87 C ATOM 57 O ALA A 9 41.338 37.936 23.099 1.00 24.17 O ATOM 58 CB ALA A 9 42.574 40.974 22.094 1.00 15.94 C ATOM 0 H ALA A 9 40.616 41.940 22.915 1.00 24.53 H new ATOM 0 HA ALA A 9 40.902 39.763 21.527 1.00 17.90 H new ATOM 0 HB1 ALA A 9 43.241 40.341 21.786 1.00 15.94 H new ATOM 0 HB2 ALA A 9 42.449 41.664 21.423 1.00 15.94 H new ATOM 0 HB3 ALA A 9 42.873 41.380 22.923 1.00 15.94 H new ATOM 59 N LEU A 10 41.211 39.581 24.666 1.00 18.74 N ATOM 60 CA LEU A 10 41.191 38.647 25.793 1.00 18.63 C ATOM 61 C LEU A 10 39.874 37.677 25.851 1.00 16.89 C ATOM 62 O LEU A 10 39.940 36.467 26.144 1.00 11.80 O ATOM 63 CB LEU A 10 41.460 39.380 27.120 1.00 20.12 C ATOM 64 CG LEU A 10 42.925 40.123 27.213 1.00 20.87 C ATOM 65 CD1 LEU A 10 43.088 41.015 28.467 1.00 27.20 C ATOM 66 CD2 LEU A 10 43.887 39.073 27.275 1.00 23.88 C ATOM 0 H LEU A 10 41.168 40.411 24.886 1.00 18.74 H new ATOM 0 HA LEU A 10 41.922 38.028 25.642 1.00 18.63 H new ATOM 0 HB2 LEU A 10 40.766 40.044 27.255 1.00 20.12 H new ATOM 0 HB3 LEU A 10 41.388 38.742 27.847 1.00 20.12 H new ATOM 0 HG LEU A 10 43.031 40.710 26.448 1.00 20.87 H new ATOM 0 HD11 LEU A 10 43.968 41.422 28.462 1.00 27.20 H new ATOM 0 HD12 LEU A 10 42.411 41.710 28.461 1.00 27.20 H new ATOM 0 HD13 LEU A 10 42.987 40.473 29.265 1.00 27.20 H new ATOM 0 HD21 LEU A 10 44.778 39.453 27.332 1.00 23.88 H new ATOM 0 HD22 LEU A 10 43.719 38.526 28.058 1.00 23.88 H new ATOM 0 HD23 LEU A 10 43.820 38.525 26.478 1.00 23.88 H new ATOM 67 N VAL A 11 38.738 38.183 25.589 1.00 15.54 N ATOM 68 CA VAL A 11 37.472 37.212 25.571 1.00 15.35 C ATOM 69 C VAL A 11 37.494 36.165 24.444 1.00 23.80 C ATOM 70 O VAL A 11 37.096 34.935 24.654 1.00 20.13 O ATOM 71 CB VAL A 11 36.224 37.941 25.482 1.00 13.24 C ATOM 72 CG1 VAL A 11 34.870 36.951 25.339 1.00 8.63 C ATOM 73 CG2 VAL A 11 36.126 38.766 26.748 1.00 12.02 C ATOM 0 H VAL A 11 38.583 39.011 25.418 1.00 15.54 H new ATOM 0 HA VAL A 11 37.531 36.745 26.419 1.00 15.35 H new ATOM 0 HB VAL A 11 36.231 38.482 24.677 1.00 13.24 H new ATOM 0 HG11 VAL A 11 34.072 37.500 25.284 1.00 8.63 H new ATOM 0 HG12 VAL A 11 34.947 36.412 24.536 1.00 8.63 H new ATOM 0 HG13 VAL A 11 34.810 36.370 26.114 1.00 8.63 H new ATOM 0 HG21 VAL A 11 35.302 39.277 26.738 1.00 12.02 H new ATOM 0 HG22 VAL A 11 36.132 38.178 27.519 1.00 12.02 H new ATOM 0 HG23 VAL A 11 36.881 39.372 26.799 1.00 12.02 H new ATOM 74 N LYS A 12 37.993 36.621 23.272 1.00 21.89 N ATOM 75 CA LYS A 12 37.978 35.722 22.122 1.00 11.53 C ATOM 76 C LYS A 12 38.855 34.637 22.337 1.00 11.94 C ATOM 77 O LYS A 12 38.390 33.427 22.105 1.00 16.98 O ATOM 78 CB LYS A 12 38.472 36.544 20.854 1.00 18.87 C ATOM 79 CG LYS A 12 38.198 35.614 19.642 1.00 26.76 C ATOM 80 CD LYS A 12 38.456 36.329 18.301 1.00 38.90 C ATOM 81 CE LYS A 12 38.409 35.273 17.166 1.00 42.24 C ATOM 82 NZ LYS A 12 37.148 34.304 17.225 0.00 0.00 N ATOM 0 H LYS A 12 38.324 37.403 23.137 1.00 21.89 H new ATOM 0 HA LYS A 12 37.082 35.376 21.986 1.00 11.53 H new ATOM 0 HB2 LYS A 12 37.991 37.382 20.769 1.00 18.87 H new ATOM 0 HB3 LYS A 12 39.414 36.763 20.923 1.00 18.87 H new ATOM 0 HG2 LYS A 12 38.763 34.828 19.703 1.00 26.76 H new ATOM 0 HG3 LYS A 12 37.279 35.306 19.672 1.00 26.76 H new ATOM 0 HD2 LYS A 12 37.788 37.016 18.151 1.00 38.90 H new ATOM 0 HD3 LYS A 12 39.319 36.771 18.315 1.00 38.90 H new ATOM 0 HE2 LYS A 12 38.411 35.732 16.311 1.00 42.24 H new ATOM 0 HE3 LYS A 12 39.217 34.738 17.203 1.00 42.24 H new ATOM 0 HZ1 LYS A 12 37.185 33.727 16.548 0.00 0.00 H new ATOM 0 HZ2 LYS A 12 37.152 33.858 17.995 0.00 0.00 H new ATOM 0 HZ3 LYS A 12 36.401 34.784 17.164 0.00 0.00 H new ATOM 83 N SER A 13 40.070 35.077 22.817 1.00 7.37 N ATOM 84 CA SER A 13 40.993 34.103 23.112 1.00 12.60 C ATOM 85 C SER A 13 40.491 33.010 24.159 1.00 24.72 C ATOM 86 O SER A 13 40.609 31.780 23.997 1.00 13.23 O ATOM 87 CB SER A 13 42.277 34.930 23.663 1.00 5.10 C ATOM 88 OG SER A 13 43.227 34.023 23.820 1.00 48.45 O ATOM 0 H SER A 13 40.307 35.893 22.949 1.00 7.37 H new ATOM 0 HA SER A 13 41.190 33.568 22.327 1.00 12.60 H new ATOM 0 HB2 SER A 13 42.548 35.617 23.034 1.00 5.10 H new ATOM 0 HB3 SER A 13 42.075 35.375 24.501 1.00 5.10 H new ATOM 0 HG SER A 13 43.388 33.655 23.082 1.00 48.45 H new ATOM 89 N SER A 14 39.887 33.430 25.231 1.00 21.53 N ATOM 90 CA SER A 14 39.319 32.497 26.308 1.00 10.70 C ATOM 91 C SER A 14 38.030 31.620 25.878 1.00 12.10 C ATOM 92 O SER A 14 37.804 30.407 26.200 1.00 13.21 O ATOM 93 CB SER A 14 39.023 33.226 27.613 1.00 18.07 C ATOM 94 OG SER A 14 38.096 34.135 27.367 1.00 20.97 O ATOM 0 H SER A 14 39.768 34.264 25.404 1.00 21.53 H new ATOM 0 HA SER A 14 40.042 31.863 26.438 1.00 10.70 H new ATOM 0 HB2 SER A 14 38.716 32.602 28.289 1.00 18.07 H new ATOM 0 HB3 SER A 14 39.827 33.645 27.958 1.00 18.07 H new ATOM 0 HG SER A 14 37.946 34.167 26.541 1.00 20.97 H new ATOM 95 N TRP A 15 37.354 32.130 24.950 1.00 14.58 N ATOM 96 CA TRP A 15 36.201 31.322 24.345 1.00 21.10 C ATOM 97 C TRP A 15 36.587 30.224 23.420 1.00 28.14 C ATOM 98 O TRP A 15 35.899 29.042 23.405 1.00 10.19 O ATOM 99 CB TRP A 15 35.309 32.241 23.638 1.00 15.28 C ATOM 100 CG TRP A 15 34.052 31.331 23.117 1.00 39.87 C ATOM 101 CD1 TRP A 15 32.976 30.618 23.777 1.00 28.42 C ATOM 102 CD2 TRP A 15 33.920 30.942 21.783 1.00 18.55 C ATOM 103 NE1 TRP A 15 32.138 29.819 22.838 1.00 27.82 N ATOM 104 CE2 TRP A 15 32.683 30.055 21.668 1.00 37.36 C ATOM 105 CE3 TRP A 15 34.779 31.306 20.721 1.00 12.34 C ATOM 106 CZ2 TRP A 15 32.209 29.548 20.446 1.00 33.08 C ATOM 107 CZ3 TRP A 15 34.313 30.766 19.497 1.00 44.98 C ATOM 108 CH2 TRP A 15 33.057 29.930 19.371 1.00 56.69 C ATOM 0 H TRP A 15 37.480 32.911 24.613 1.00 14.58 H new ATOM 0 HA TRP A 15 35.775 30.881 25.097 1.00 21.10 H new ATOM 0 HB2 TRP A 15 35.005 32.951 24.225 1.00 15.28 H new ATOM 0 HB3 TRP A 15 35.764 32.664 22.893 1.00 15.28 H new ATOM 0 HD1 TRP A 15 32.824 30.655 24.694 1.00 28.42 H new ATOM 0 HE1 TRP A 15 31.460 29.322 23.020 1.00 27.82 H new ATOM 0 HE3 TRP A 15 35.544 31.827 20.813 1.00 12.34 H new ATOM 0 HZ2 TRP A 15 31.442 29.031 20.353 1.00 33.08 H new ATOM 0 HZ3 TRP A 15 34.807 30.935 18.727 1.00 44.98 H new ATOM 0 HH2 TRP A 15 32.820 29.642 18.519 1.00 56.69 H new ATOM 109 N GLU A 16 37.706 30.603 22.735 1.00 19.70 N ATOM 110 CA GLU A 16 38.203 29.566 21.929 1.00 28.26 C ATOM 111 C GLU A 16 38.688 28.467 22.809 1.00 30.82 C ATOM 112 O GLU A 16 38.259 27.248 22.531 1.00 22.43 O ATOM 113 CB GLU A 16 39.257 30.192 20.905 1.00 21.85 C ATOM 114 CG GLU A 16 38.635 31.070 19.867 1.00 30.80 C ATOM 115 CD GLU A 16 39.758 31.828 18.994 1.00 45.83 C ATOM 116 OE1 GLU A 16 40.949 32.157 19.434 1.00 46.38 O ATOM 117 OE2 GLU A 16 39.414 32.473 18.019 1.00 47.30 O ATOM 0 H GLU A 16 38.115 31.360 22.742 1.00 19.70 H new ATOM 0 HA GLU A 16 37.529 29.148 21.370 1.00 28.26 H new ATOM 0 HB2 GLU A 16 39.913 30.706 21.402 1.00 21.85 H new ATOM 0 HB3 GLU A 16 39.735 29.472 20.464 1.00 21.85 H new ATOM 0 HG2 GLU A 16 38.074 30.537 19.283 1.00 30.80 H new ATOM 0 HG3 GLU A 16 38.059 31.723 20.295 1.00 30.80 H new ATOM 118 N GLU A 17 39.403 28.878 23.922 1.00 12.42 N ATOM 119 CA GLU A 17 39.735 27.874 24.864 1.00 5.18 C ATOM 120 C GLU A 17 38.503 26.949 25.408 1.00 16.86 C ATOM 121 O GLU A 17 38.541 25.709 25.475 1.00 17.37 O ATOM 122 CB GLU A 17 40.517 28.498 26.053 1.00 7.36 C ATOM 123 CG GLU A 17 42.006 28.881 25.652 1.00 33.58 C ATOM 124 CD GLU A 17 42.822 29.095 26.952 1.00 48.42 C ATOM 125 OE1 GLU A 17 43.223 28.105 27.529 1.00 45.51 O ATOM 126 OE2 GLU A 17 42.596 30.050 27.679 1.00 46.20 O ATOM 0 H GLU A 17 39.664 29.678 24.098 1.00 12.42 H new ATOM 0 HA GLU A 17 40.290 27.251 24.369 1.00 5.18 H new ATOM 0 HB2 GLU A 17 40.053 29.291 26.364 1.00 7.36 H new ATOM 0 HB3 GLU A 17 40.533 27.871 26.793 1.00 7.36 H new ATOM 0 HG2 GLU A 17 42.403 28.177 25.116 1.00 33.58 H new ATOM 0 HG3 GLU A 17 42.014 29.687 25.112 1.00 33.58 H new ATOM 127 N PHE A 18 37.423 27.503 25.680 1.00 21.16 N ATOM 128 CA PHE A 18 36.147 26.694 26.139 1.00 9.85 C ATOM 129 C PHE A 18 35.590 25.638 25.085 1.00 12.52 C ATOM 130 O PHE A 18 35.144 24.430 25.365 1.00 17.41 O ATOM 131 CB PHE A 18 35.097 27.644 26.445 1.00 11.74 C ATOM 132 CG PHE A 18 33.665 26.884 26.783 1.00 15.12 C ATOM 133 CD1 PHE A 18 33.378 26.455 28.073 1.00 19.58 C ATOM 134 CD2 PHE A 18 32.669 26.633 25.814 1.00 20.71 C ATOM 135 CE1 PHE A 18 32.099 25.764 28.403 1.00 17.44 C ATOM 136 CE2 PHE A 18 31.390 25.928 26.124 1.00 13.99 C ATOM 137 CZ PHE A 18 31.115 25.502 27.427 1.00 8.76 C ATOM 0 H PHE A 18 37.301 28.353 25.637 1.00 21.16 H new ATOM 0 HA PHE A 18 36.423 26.170 26.907 1.00 9.85 H new ATOM 0 HB2 PHE A 18 35.362 28.187 27.203 1.00 11.74 H new ATOM 0 HB3 PHE A 18 34.975 28.246 25.694 1.00 11.74 H new ATOM 0 HD1 PHE A 18 34.000 26.603 28.748 1.00 19.58 H new ATOM 0 HD2 PHE A 18 32.817 26.920 24.942 1.00 20.71 H new ATOM 0 HE1 PHE A 18 31.945 25.497 29.280 1.00 17.44 H new ATOM 0 HE2 PHE A 18 30.773 25.771 25.446 1.00 13.99 H new ATOM 0 HZ PHE A 18 30.321 25.067 27.640 1.00 8.76 H new ATOM 138 N ASN A 19 35.546 26.075 23.873 1.00 19.94 N ATOM 139 CA ASN A 19 34.814 25.194 22.868 1.00 14.69 C ATOM 140 C ASN A 19 35.659 24.085 22.522 1.00 23.87 C ATOM 141 O ASN A 19 35.221 23.158 21.718 1.00 27.20 O ATOM 142 CB ASN A 19 34.750 26.111 21.648 1.00 17.56 C ATOM 143 CG ASN A 19 33.429 25.669 20.939 1.00 35.14 C ATOM 144 OD1 ASN A 19 32.379 25.878 21.541 1.00 39.45 O ATOM 145 ND2 ASN A 19 33.558 25.632 19.634 1.00 44.50 N ATOM 0 H ASN A 19 35.885 26.808 23.577 1.00 19.94 H new ATOM 0 HA ASN A 19 33.961 24.856 23.184 1.00 14.69 H new ATOM 0 HB2 ASN A 19 34.724 27.046 21.904 1.00 17.56 H new ATOM 0 HB3 ASN A 19 35.522 25.996 21.072 1.00 17.56 H new ATOM 0 HD21 ASN A 19 32.873 25.760 19.130 1.00 44.50 H new ATOM 0 HD22 ASN A 19 34.328 25.480 19.282 1.00 44.50 H new ATOM 146 N ALA A 20 36.911 24.253 23.038 1.00 20.69 N ATOM 147 CA ALA A 20 37.826 23.324 22.710 1.00 11.76 C ATOM 148 C ALA A 20 37.439 22.015 23.441 1.00 28.05 C ATOM 149 O ALA A 20 37.999 21.010 23.143 1.00 28.67 O ATOM 150 CB ALA A 20 39.335 23.837 23.060 1.00 28.65 C ATOM 0 H ALA A 20 37.173 24.892 23.551 1.00 20.69 H new ATOM 0 HA ALA A 20 37.832 23.160 21.754 1.00 11.76 H new ATOM 0 HB1 ALA A 20 39.975 23.151 22.815 1.00 28.65 H new ATOM 0 HB2 ALA A 20 39.525 24.648 22.563 1.00 28.65 H new ATOM 0 HB3 ALA A 20 39.403 24.017 24.011 1.00 28.65 H new ATOM 151 N ASN A 21 36.599 22.075 24.439 1.00 17.03 N ATOM 152 CA ASN A 21 36.138 20.797 25.199 1.00 14.11 C ATOM 153 C ASN A 21 34.731 20.722 25.781 1.00 10.88 C ATOM 154 O ASN A 21 34.556 20.801 27.015 1.00 16.63 O ATOM 155 CB ASN A 21 37.090 20.605 26.312 1.00 5.26 C ATOM 156 CG ASN A 21 36.951 19.113 26.669 1.00 8.59 C ATOM 157 OD1 ASN A 21 37.815 18.750 27.437 1.00 30.84 O ATOM 158 ND2 ASN A 21 35.827 18.361 26.355 1.00 12.46 N ATOM 0 H ASN A 21 36.255 22.806 24.733 1.00 17.03 H new ATOM 0 HA ASN A 21 36.119 20.114 24.510 1.00 14.11 H new ATOM 0 HB2 ASN A 21 37.997 20.823 26.045 1.00 5.26 H new ATOM 0 HB3 ASN A 21 36.872 21.173 27.068 1.00 5.26 H new ATOM 0 HD21 ASN A 21 35.713 17.588 26.713 1.00 12.46 H new ATOM 0 HD22 ASN A 21 35.245 18.669 25.802 1.00 12.46 H new ATOM 159 N ILE A 22 33.815 20.737 24.903 1.00 9.67 N ATOM 160 CA ILE A 22 32.394 20.736 25.208 1.00 10.88 C ATOM 161 C ILE A 22 31.891 19.625 26.165 1.00 5.15 C ATOM 162 O ILE A 22 31.240 19.960 27.127 1.00 11.66 O ATOM 163 CB ILE A 22 31.438 20.636 23.973 1.00 12.76 C ATOM 164 CG1 ILE A 22 31.697 21.949 23.101 1.00 22.83 C ATOM 165 CG2 ILE A 22 29.908 20.033 24.247 1.00 11.45 C ATOM 166 CD1 ILE A 22 31.225 23.234 23.725 1.00 22.73 C ATOM 0 H ILE A 22 33.981 20.749 24.059 1.00 9.67 H new ATOM 0 HA ILE A 22 32.347 21.606 25.634 1.00 10.88 H new ATOM 0 HB ILE A 22 31.645 19.888 23.391 1.00 12.76 H new ATOM 0 HG12 ILE A 22 32.648 22.021 22.926 1.00 22.83 H new ATOM 0 HG13 ILE A 22 31.258 21.842 22.243 1.00 22.83 H new ATOM 0 HG21 ILE A 22 29.412 20.019 23.414 1.00 11.45 H new ATOM 0 HG22 ILE A 22 29.974 19.132 24.599 1.00 11.45 H new ATOM 0 HG23 ILE A 22 29.448 20.597 24.888 1.00 11.45 H new ATOM 0 HD11 ILE A 22 31.422 23.974 23.130 1.00 22.73 H new ATOM 0 HD12 ILE A 22 30.268 23.188 23.877 1.00 22.73 H new ATOM 0 HD13 ILE A 22 31.680 23.370 24.571 1.00 22.73 H new ATOM 167 N PRO A 23 32.187 18.411 26.012 1.00 17.25 N ATOM 168 CA PRO A 23 31.527 17.380 26.937 1.00 14.69 C ATOM 169 C PRO A 23 32.005 17.635 28.364 1.00 23.07 C ATOM 170 O PRO A 23 31.148 17.492 29.302 1.00 21.26 O ATOM 171 CB PRO A 23 31.840 15.991 26.466 1.00 21.89 C ATOM 172 CG PRO A 23 32.292 16.203 25.023 1.00 19.06 C ATOM 173 CD PRO A 23 32.644 17.747 24.800 1.00 11.01 C ATOM 0 HA PRO A 23 30.561 17.468 26.919 1.00 14.69 H new ATOM 0 HB2 PRO A 23 32.536 15.579 27.002 1.00 21.89 H new ATOM 0 HB3 PRO A 23 31.063 15.412 26.516 1.00 21.89 H new ATOM 0 HG2 PRO A 23 33.068 15.653 24.832 1.00 19.06 H new ATOM 0 HG3 PRO A 23 31.592 15.928 24.410 1.00 19.06 H new ATOM 0 HD2 PRO A 23 33.596 17.875 24.666 1.00 11.01 H new ATOM 0 HD3 PRO A 23 32.197 18.100 24.015 1.00 11.01 H new ATOM 174 N LYS A 24 33.292 18.130 28.492 1.00 15.32 N ATOM 175 CA LYS A 24 33.807 18.448 29.812 1.00 14.81 C ATOM 176 C LYS A 24 33.275 19.688 30.395 1.00 28.90 C ATOM 177 O LYS A 24 32.729 19.621 31.534 1.00 18.17 O ATOM 178 CB LYS A 24 35.378 18.670 29.783 1.00 13.39 C ATOM 179 CG LYS A 24 35.967 18.889 31.205 1.00 28.67 C ATOM 180 CD LYS A 24 37.532 18.957 31.281 1.00 33.41 C ATOM 181 CE LYS A 24 38.343 20.043 30.392 0.00 0.00 C ATOM 182 NZ LYS A 24 39.795 19.990 30.533 0.00 0.00 N ATOM 0 H LYS A 24 33.834 18.272 27.840 1.00 15.32 H new ATOM 0 HA LYS A 24 33.534 17.683 30.343 1.00 14.81 H new ATOM 0 HB2 LYS A 24 35.804 17.901 29.373 1.00 13.39 H new ATOM 0 HB3 LYS A 24 35.584 19.438 29.228 1.00 13.39 H new ATOM 0 HG2 LYS A 24 35.605 19.713 31.565 1.00 28.67 H new ATOM 0 HG3 LYS A 24 35.661 18.170 31.780 1.00 28.67 H new ATOM 0 HD2 LYS A 24 37.769 19.110 32.209 1.00 33.41 H new ATOM 0 HD3 LYS A 24 37.870 18.080 31.043 1.00 33.41 H new ATOM 0 HE2 LYS A 24 38.117 19.911 29.458 0.00 0.00 H new ATOM 0 HE3 LYS A 24 38.040 20.932 30.635 0.00 0.00 H new ATOM 0 HZ1 LYS A 24 40.167 20.613 30.017 0.00 0.00 H new ATOM 0 HZ2 LYS A 24 40.017 20.138 31.382 0.00 0.00 H new ATOM 0 HZ3 LYS A 24 40.088 19.187 30.286 0.00 0.00 H new ATOM 183 N HIS A 25 33.517 20.806 29.667 1.00 16.08 N ATOM 184 CA HIS A 25 33.218 22.120 30.162 1.00 10.36 C ATOM 185 C HIS A 25 31.721 22.223 30.378 1.00 10.69 C ATOM 186 O HIS A 25 31.372 22.874 31.354 1.00 13.73 O ATOM 187 CB HIS A 25 33.846 23.224 29.227 1.00 3.00 C ATOM 188 CG HIS A 25 35.390 23.272 29.201 1.00 18.11 C ATOM 189 ND1 HIS A 25 36.100 22.992 30.328 1.00 25.31 N ATOM 190 CD2 HIS A 25 36.256 23.539 28.194 1.00 16.66 C ATOM 191 CE1 HIS A 25 37.470 23.086 29.981 1.00 16.92 C ATOM 192 NE2 HIS A 25 37.547 23.415 28.652 1.00 18.45 N ATOM 0 H HIS A 25 33.859 20.796 28.878 1.00 16.08 H new ATOM 0 HA HIS A 25 33.631 22.280 31.025 1.00 10.36 H new ATOM 0 HB2 HIS A 25 33.527 23.080 28.322 1.00 3.00 H new ATOM 0 HB3 HIS A 25 33.515 24.091 29.509 1.00 3.00 H new ATOM 0 HD2 HIS A 25 36.015 23.771 27.326 1.00 16.66 H new ATOM 0 HE1 HIS A 25 38.190 22.949 30.553 1.00 16.92 H new ATOM 0 HE2 HIS A 25 38.266 23.523 28.192 1.00 18.45 H new ATOM 193 N THR A 26 30.850 21.545 29.566 1.00 13.68 N ATOM 194 CA THR A 26 29.385 21.517 29.725 1.00 10.00 C ATOM 195 C THR A 26 28.808 20.665 30.909 1.00 6.93 C ATOM 196 O THR A 26 27.889 21.034 31.581 1.00 10.13 O ATOM 197 CB THR A 26 28.591 21.096 28.434 1.00 26.39 C ATOM 198 OG1 THR A 26 28.750 19.760 28.042 1.00 16.79 O ATOM 199 CG2 THR A 26 29.080 22.069 27.287 1.00 9.88 C ATOM 0 H THR A 26 31.119 21.081 28.894 1.00 13.68 H new ATOM 0 HA THR A 26 29.241 22.454 29.931 1.00 10.00 H new ATOM 0 HB THR A 26 27.642 21.168 28.622 1.00 26.39 H new ATOM 0 HG1 THR A 26 29.517 19.653 27.717 1.00 16.79 H new ATOM 0 HG21 THR A 26 28.619 21.853 26.461 1.00 9.88 H new ATOM 0 HG22 THR A 26 28.885 22.986 27.535 1.00 9.88 H new ATOM 0 HG23 THR A 26 30.036 21.965 27.160 1.00 9.88 H new ATOM 200 N HIS A 27 29.423 19.622 31.257 1.00 14.11 N ATOM 201 CA HIS A 27 28.885 18.757 32.358 1.00 9.12 C ATOM 202 C HIS A 27 29.329 19.552 33.623 1.00 6.38 C ATOM 203 O HIS A 27 28.536 19.605 34.586 1.00 8.88 O ATOM 204 CB HIS A 27 29.504 17.432 32.263 1.00 11.41 C ATOM 205 CG HIS A 27 29.529 16.636 33.578 1.00 14.42 C ATOM 206 ND1 HIS A 27 28.389 15.735 34.039 1.00 23.61 N ATOM 207 CD2 HIS A 27 30.545 16.581 34.404 1.00 10.78 C ATOM 208 CE1 HIS A 27 28.749 15.182 35.251 1.00 16.83 C ATOM 209 NE2 HIS A 27 30.105 15.720 35.462 1.00 24.84 N ATOM 0 H HIS A 27 30.158 19.347 30.905 1.00 14.11 H new ATOM 0 HA HIS A 27 27.929 18.593 32.347 1.00 9.12 H new ATOM 0 HB2 HIS A 27 29.028 16.914 31.595 1.00 11.41 H new ATOM 0 HB3 HIS A 27 30.415 17.536 31.945 1.00 11.41 H new ATOM 0 HD2 HIS A 27 31.368 17.006 34.322 1.00 10.78 H new ATOM 0 HE1 HIS A 27 28.258 14.612 35.798 1.00 16.83 H new ATOM 0 HE2 HIS A 27 30.585 15.536 36.152 1.00 24.84 H new ATOM 210 N ARG A 28 30.551 20.240 33.552 1.00 11.51 N ATOM 211 CA ARG A 28 31.135 21.042 34.672 1.00 9.03 C ATOM 212 C ARG A 28 30.343 22.195 35.034 1.00 16.71 C ATOM 213 O ARG A 28 30.070 22.404 36.238 1.00 15.71 O ATOM 214 CB ARG A 28 32.637 21.562 34.405 1.00 14.65 C ATOM 215 CG ARG A 28 33.321 22.278 35.660 1.00 35.41 C ATOM 216 CD ARG A 28 33.414 21.331 36.857 1.00 27.17 C ATOM 217 NE ARG A 28 33.923 22.178 37.984 1.00 43.07 N ATOM 218 CZ ARG A 28 33.688 21.898 39.263 1.00 49.11 C ATOM 219 NH1 ARG A 28 33.051 20.711 39.605 1.00 48.94 N ATOM 220 NH2 ARG A 28 34.188 22.775 40.195 1.00 44.36 N ATOM 0 H ARG A 28 31.042 20.239 32.846 1.00 11.51 H new ATOM 0 HA ARG A 28 31.142 20.401 35.400 1.00 9.03 H new ATOM 0 HB2 ARG A 28 33.186 20.808 34.138 1.00 14.65 H new ATOM 0 HB3 ARG A 28 32.625 22.182 33.659 1.00 14.65 H new ATOM 0 HG2 ARG A 28 34.209 22.583 35.417 1.00 35.41 H new ATOM 0 HG3 ARG A 28 32.808 23.064 35.906 1.00 35.41 H new ATOM 0 HD2 ARG A 28 32.549 20.947 37.069 1.00 27.17 H new ATOM 0 HD3 ARG A 28 34.015 20.592 36.674 1.00 27.17 H new ATOM 0 HE ARG A 28 34.388 22.876 37.795 1.00 43.07 H new ATOM 0 HH11 ARG A 28 32.810 20.160 38.990 1.00 48.94 H new ATOM 0 HH12 ARG A 28 32.898 20.528 40.431 1.00 48.94 H new ATOM 0 HH21 ARG A 28 34.630 23.467 39.940 1.00 44.36 H new ATOM 0 HH22 ARG A 28 34.059 22.632 41.033 1.00 44.36 H new ATOM 221 N PHE A 29 29.993 22.909 34.000 1.00 17.83 N ATOM 222 CA PHE A 29 29.060 23.944 34.059 1.00 16.51 C ATOM 223 C PHE A 29 27.752 23.480 34.858 1.00 18.03 C ATOM 224 O PHE A 29 27.535 24.106 35.910 1.00 14.53 O ATOM 225 CB PHE A 29 28.734 24.421 32.622 1.00 13.78 C ATOM 226 CG PHE A 29 27.571 25.267 32.592 1.00 13.26 C ATOM 227 CD1 PHE A 29 27.758 26.581 33.105 1.00 6.69 C ATOM 228 CD2 PHE A 29 26.316 24.678 32.137 1.00 8.85 C ATOM 229 CE1 PHE A 29 26.695 27.322 33.129 1.00 12.94 C ATOM 230 CE2 PHE A 29 25.239 25.424 32.158 1.00 14.19 C ATOM 231 CZ PHE A 29 25.437 26.754 32.643 1.00 4.19 C ATOM 0 H PHE A 29 30.318 22.785 33.214 1.00 17.83 H new ATOM 0 HA PHE A 29 29.432 24.695 34.548 1.00 16.51 H new ATOM 0 HB2 PHE A 29 29.494 24.903 32.261 1.00 13.78 H new ATOM 0 HB3 PHE A 29 28.589 23.651 32.050 1.00 13.78 H new ATOM 0 HD1 PHE A 29 28.585 26.886 33.402 1.00 6.69 H new ATOM 0 HD2 PHE A 29 26.281 23.797 31.840 1.00 8.85 H new ATOM 0 HE1 PHE A 29 26.731 28.195 33.448 1.00 12.94 H new ATOM 0 HE2 PHE A 29 24.409 25.112 31.879 1.00 14.19 H new ATOM 0 HZ PHE A 29 24.694 27.313 32.650 1.00 4.19 H new ATOM 232 N PHE A 30 26.988 22.331 34.499 1.00 11.94 N ATOM 233 CA PHE A 30 25.769 21.700 35.288 1.00 9.69 C ATOM 234 C PHE A 30 26.011 21.213 36.711 1.00 7.50 C ATOM 235 O PHE A 30 25.178 21.388 37.588 1.00 11.34 O ATOM 236 CB PHE A 30 24.832 20.610 34.500 1.00 4.89 C ATOM 237 CG PHE A 30 23.961 21.245 33.490 1.00 13.23 C ATOM 238 CD1 PHE A 30 24.239 21.216 32.141 1.00 8.78 C ATOM 239 CD2 PHE A 30 22.907 21.864 33.950 1.00 19.15 C ATOM 240 CE1 PHE A 30 23.436 21.767 31.230 1.00 15.39 C ATOM 241 CE2 PHE A 30 22.107 22.437 33.054 1.00 17.25 C ATOM 242 CZ PHE A 30 22.362 22.375 31.692 1.00 22.18 C ATOM 0 H PHE A 30 27.164 21.890 33.782 1.00 11.94 H new ATOM 0 HA PHE A 30 25.265 22.527 35.351 1.00 9.69 H new ATOM 0 HB2 PHE A 30 25.399 19.952 34.068 1.00 4.89 H new ATOM 0 HB3 PHE A 30 24.284 20.133 35.143 1.00 4.89 H new ATOM 0 HD1 PHE A 30 25.017 20.796 31.854 1.00 8.78 H new ATOM 0 HD2 PHE A 30 22.724 21.903 34.861 1.00 19.15 H new ATOM 0 HE1 PHE A 30 23.623 21.725 30.320 1.00 15.39 H new ATOM 0 HE2 PHE A 30 21.353 22.894 33.351 1.00 17.25 H new ATOM 0 HZ PHE A 30 21.766 22.768 31.096 1.00 22.18 H new ATOM 243 N ILE A 31 27.188 20.784 36.989 1.00 10.00 N ATOM 244 CA ILE A 31 27.583 20.517 38.340 1.00 9.29 C ATOM 245 C ILE A 31 27.747 21.826 39.122 1.00 3.00 C ATOM 246 O ILE A 31 27.320 21.825 40.286 1.00 8.02 O ATOM 247 CB ILE A 31 28.958 19.920 38.389 1.00 18.32 C ATOM 248 CG1 ILE A 31 28.865 18.504 37.685 1.00 15.75 C ATOM 249 CG2 ILE A 31 29.470 19.813 39.840 1.00 11.48 C ATOM 250 CD1 ILE A 31 27.679 17.447 38.169 1.00 22.98 C ATOM 0 H ILE A 31 27.798 20.633 36.402 1.00 10.00 H new ATOM 0 HA ILE A 31 26.901 19.932 38.705 1.00 9.29 H new ATOM 0 HB ILE A 31 29.599 20.483 37.927 1.00 18.32 H new ATOM 0 HG12 ILE A 31 28.753 18.656 36.734 1.00 15.75 H new ATOM 0 HG13 ILE A 31 29.720 18.061 37.803 1.00 15.75 H new ATOM 0 HG21 ILE A 31 30.359 19.425 39.842 1.00 11.48 H new ATOM 0 HG22 ILE A 31 29.503 20.697 40.238 1.00 11.48 H new ATOM 0 HG23 ILE A 31 28.871 19.250 40.354 1.00 11.48 H new ATOM 0 HD11 ILE A 31 27.745 16.628 37.653 1.00 22.98 H new ATOM 0 HD12 ILE A 31 27.790 17.245 39.111 1.00 22.98 H new ATOM 0 HD13 ILE A 31 26.808 17.850 38.025 1.00 22.98 H new ATOM 251 N LEU A 32 28.423 22.884 38.530 1.00 3.00 N ATOM 252 CA LEU A 32 28.628 24.175 39.291 1.00 4.24 C ATOM 253 C LEU A 32 27.320 24.785 39.406 1.00 8.58 C ATOM 254 O LEU A 32 27.050 25.393 40.441 1.00 11.79 O ATOM 255 CB LEU A 32 29.614 25.186 38.487 1.00 12.19 C ATOM 256 CG LEU A 32 31.094 24.916 38.524 1.00 16.10 C ATOM 257 CD1 LEU A 32 31.908 25.710 37.395 1.00 20.86 C ATOM 258 CD2 LEU A 32 31.754 25.329 39.894 1.00 18.11 C ATOM 0 H LEU A 32 28.751 22.873 37.735 1.00 3.00 H new ATOM 0 HA LEU A 32 29.034 23.997 40.154 1.00 4.24 H new ATOM 0 HB2 LEU A 32 29.337 25.193 37.557 1.00 12.19 H new ATOM 0 HB3 LEU A 32 29.467 26.080 38.833 1.00 12.19 H new ATOM 0 HG LEU A 32 31.152 23.958 38.381 1.00 16.10 H new ATOM 0 HD11 LEU A 32 32.852 25.498 37.467 1.00 20.86 H new ATOM 0 HD12 LEU A 32 31.584 25.449 36.519 1.00 20.86 H new ATOM 0 HD13 LEU A 32 31.781 26.664 37.515 1.00 20.86 H new ATOM 0 HD21 LEU A 32 32.704 25.136 39.867 1.00 18.11 H new ATOM 0 HD22 LEU A 32 31.622 26.278 40.044 1.00 18.11 H new ATOM 0 HD23 LEU A 32 31.343 24.828 40.616 1.00 18.11 H new ATOM 259 N VAL A 33 26.430 24.576 38.458 1.00 13.03 N ATOM 260 CA VAL A 33 25.059 24.949 38.732 1.00 16.10 C ATOM 261 C VAL A 33 24.383 24.323 39.994 1.00 16.30 C ATOM 262 O VAL A 33 23.851 25.036 40.796 1.00 13.35 O ATOM 263 CB VAL A 33 24.023 24.619 37.583 1.00 13.98 C ATOM 264 CG1 VAL A 33 22.564 24.848 38.031 1.00 5.69 C ATOM 265 CG2 VAL A 33 24.495 25.399 36.288 1.00 12.47 C ATOM 0 H VAL A 33 26.586 24.236 37.684 1.00 13.03 H new ATOM 0 HA VAL A 33 25.213 25.899 38.850 1.00 16.10 H new ATOM 0 HB VAL A 33 24.015 23.675 37.362 1.00 13.98 H new ATOM 0 HG11 VAL A 33 21.963 24.635 37.300 1.00 5.69 H new ATOM 0 HG12 VAL A 33 22.365 24.277 38.789 1.00 5.69 H new ATOM 0 HG13 VAL A 33 22.445 25.776 38.286 1.00 5.69 H new ATOM 0 HG21 VAL A 33 23.880 25.219 35.560 1.00 12.47 H new ATOM 0 HG22 VAL A 33 24.509 26.351 36.471 1.00 12.47 H new ATOM 0 HG23 VAL A 33 25.385 25.105 36.039 1.00 12.47 H new ATOM 266 N LEU A 34 24.301 23.011 40.071 1.00 17.66 N ATOM 267 CA LEU A 34 23.579 22.170 41.119 1.00 14.16 C ATOM 268 C LEU A 34 24.348 22.401 42.445 1.00 11.56 C ATOM 269 O LEU A 34 23.661 22.365 43.484 1.00 18.51 O ATOM 270 CB LEU A 34 23.473 20.684 40.668 1.00 8.08 C ATOM 271 CG LEU A 34 22.232 20.112 39.820 1.00 18.82 C ATOM 272 CD1 LEU A 34 21.338 21.059 39.207 1.00 14.27 C ATOM 273 CD2 LEU A 34 22.303 18.791 39.041 1.00 9.53 C ATOM 0 H LEU A 34 24.684 22.514 39.483 1.00 17.66 H new ATOM 0 HA LEU A 34 22.653 22.431 41.244 1.00 14.16 H new ATOM 0 HB2 LEU A 34 24.271 20.496 40.149 1.00 8.08 H new ATOM 0 HB3 LEU A 34 23.526 20.147 41.474 1.00 8.08 H new ATOM 0 HG LEU A 34 21.831 19.800 40.647 1.00 18.82 H new ATOM 0 HD11 LEU A 34 20.640 20.583 38.730 1.00 14.27 H new ATOM 0 HD12 LEU A 34 20.938 21.617 39.892 1.00 14.27 H new ATOM 0 HD13 LEU A 34 21.832 21.615 38.585 1.00 14.27 H new ATOM 0 HD21 LEU A 34 21.454 18.629 38.601 1.00 9.53 H new ATOM 0 HD22 LEU A 34 23.007 18.845 38.376 1.00 9.53 H new ATOM 0 HD23 LEU A 34 22.493 18.064 39.654 1.00 9.53 H new ATOM 274 N GLU A 35 25.692 22.823 42.420 1.00 9.79 N ATOM 275 CA GLU A 35 26.432 23.302 43.636 1.00 12.13 C ATOM 276 C GLU A 35 25.961 24.550 44.268 1.00 14.99 C ATOM 277 O GLU A 35 26.094 24.761 45.490 1.00 15.50 O ATOM 278 CB GLU A 35 27.972 23.589 43.345 1.00 20.93 C ATOM 279 CG GLU A 35 28.530 22.277 42.938 1.00 46.35 C ATOM 280 CD GLU A 35 30.067 22.473 43.124 1.00 49.47 C ATOM 281 OE1 GLU A 35 30.629 21.434 43.104 1.00 42.48 O ATOM 282 OE2 GLU A 35 30.653 23.505 43.736 1.00 43.55 O ATOM 0 H GLU A 35 26.167 22.830 41.703 1.00 9.79 H new ATOM 0 HA GLU A 35 26.268 22.555 44.232 1.00 12.13 H new ATOM 0 HB2 GLU A 35 28.081 24.251 42.644 1.00 20.93 H new ATOM 0 HB3 GLU A 35 28.421 23.934 44.133 1.00 20.93 H new ATOM 0 HG2 GLU A 35 28.191 21.556 43.491 1.00 46.35 H new ATOM 0 HG3 GLU A 35 28.304 22.061 42.020 1.00 46.35 H new ATOM 283 N ILE A 36 25.627 25.464 43.449 1.00 16.50 N ATOM 284 CA ILE A 36 25.288 26.799 43.856 1.00 12.60 C ATOM 285 C ILE A 36 23.788 26.652 44.244 1.00 13.50 C ATOM 286 O ILE A 36 23.389 27.238 45.233 1.00 13.47 O ATOM 287 CB ILE A 36 25.584 27.800 42.639 1.00 14.48 C ATOM 288 CG1 ILE A 36 27.163 28.137 42.356 1.00 9.25 C ATOM 289 CG2 ILE A 36 25.006 29.125 42.938 1.00 11.90 C ATOM 290 CD1 ILE A 36 27.550 28.957 41.059 1.00 13.31 C ATOM 0 H ILE A 36 25.583 25.341 42.599 1.00 16.50 H new ATOM 0 HA ILE A 36 25.794 27.171 44.595 1.00 12.60 H new ATOM 0 HB ILE A 36 25.209 27.336 41.874 1.00 14.48 H new ATOM 0 HG12 ILE A 36 27.501 28.625 43.123 1.00 9.25 H new ATOM 0 HG13 ILE A 36 27.641 27.294 42.323 1.00 9.25 H new ATOM 0 HG21 ILE A 36 25.185 29.730 42.201 1.00 11.90 H new ATOM 0 HG22 ILE A 36 24.047 29.040 43.060 1.00 11.90 H new ATOM 0 HG23 ILE A 36 25.405 29.477 43.749 1.00 11.90 H new ATOM 0 HD11 ILE A 36 28.512 29.078 41.027 1.00 13.31 H new ATOM 0 HD12 ILE A 36 27.259 28.472 40.271 1.00 13.31 H new ATOM 0 HD13 ILE A 36 27.116 29.824 41.083 1.00 13.31 H new ATOM 291 N ALA A 37 22.963 25.782 43.559 1.00 8.68 N ATOM 292 CA ALA A 37 21.475 25.514 43.820 1.00 18.07 C ATOM 293 C ALA A 37 20.859 24.105 43.307 1.00 8.51 C ATOM 294 O ALA A 37 20.380 23.898 42.124 1.00 7.42 O ATOM 295 CB ALA A 37 20.731 26.608 43.123 1.00 13.39 C ATOM 0 H ALA A 37 23.261 25.311 42.904 1.00 8.68 H new ATOM 0 HA ALA A 37 21.382 25.476 44.785 1.00 18.07 H new ATOM 0 HB1 ALA A 37 19.778 26.487 43.256 1.00 13.39 H new ATOM 0 HB2 ALA A 37 21.001 27.466 43.486 1.00 13.39 H new ATOM 0 HB3 ALA A 37 20.931 26.582 42.174 1.00 13.39 H new ATOM 296 N PRO A 38 20.960 23.179 44.185 1.00 13.68 N ATOM 297 CA PRO A 38 20.390 21.755 43.972 1.00 14.05 C ATOM 298 C PRO A 38 18.962 21.563 43.430 1.00 17.71 C ATOM 299 O PRO A 38 18.617 20.681 42.552 1.00 21.41 O ATOM 300 CB PRO A 38 20.382 21.073 45.365 1.00 17.01 C ATOM 301 CG PRO A 38 21.276 22.045 46.289 1.00 8.31 C ATOM 302 CD PRO A 38 21.558 23.397 45.542 1.00 8.22 C ATOM 0 HA PRO A 38 20.963 21.394 43.278 1.00 14.05 H new ATOM 0 HB2 PRO A 38 19.480 20.986 45.711 1.00 17.01 H new ATOM 0 HB3 PRO A 38 20.757 20.180 45.324 1.00 17.01 H new ATOM 0 HG2 PRO A 38 20.816 22.220 47.125 1.00 8.31 H new ATOM 0 HG3 PRO A 38 22.114 21.610 46.511 1.00 8.31 H new ATOM 0 HD2 PRO A 38 21.147 24.149 45.997 1.00 8.22 H new ATOM 0 HD3 PRO A 38 22.508 23.583 45.488 1.00 8.22 H new ATOM 303 N ALA A 39 18.154 22.381 43.934 1.00 13.18 N ATOM 304 CA ALA A 39 16.731 22.295 43.506 1.00 21.01 C ATOM 305 C ALA A 39 16.541 22.378 41.990 1.00 17.53 C ATOM 306 O ALA A 39 15.394 22.091 41.459 1.00 13.60 O ATOM 307 CB ALA A 39 16.051 23.387 44.229 1.00 17.04 C ATOM 0 H ALA A 39 18.344 22.992 44.508 1.00 13.18 H new ATOM 0 HA ALA A 39 16.354 21.428 43.723 1.00 21.01 H new ATOM 0 HB1 ALA A 39 15.109 23.392 43.996 1.00 17.04 H new ATOM 0 HB2 ALA A 39 16.147 23.252 45.185 1.00 17.04 H new ATOM 0 HB3 ALA A 39 16.449 24.236 43.982 1.00 17.04 H new ATOM 308 N ALA A 40 17.585 23.030 41.337 1.00 16.06 N ATOM 309 CA ALA A 40 17.445 23.423 39.912 1.00 18.67 C ATOM 310 C ALA A 40 17.283 22.161 39.031 1.00 23.84 C ATOM 311 O ALA A 40 17.012 22.239 37.806 1.00 17.70 O ATOM 312 CB ALA A 40 18.711 24.381 39.446 1.00 20.65 C ATOM 0 H ALA A 40 18.337 23.235 41.700 1.00 16.06 H new ATOM 0 HA ALA A 40 16.643 23.956 39.796 1.00 18.67 H new ATOM 0 HB1 ALA A 40 18.604 24.628 38.514 1.00 20.65 H new ATOM 0 HB2 ALA A 40 18.729 25.182 39.993 1.00 20.65 H new ATOM 0 HB3 ALA A 40 19.543 23.895 39.558 1.00 20.65 H new ATOM 313 N LYS A 41 17.535 21.041 39.648 1.00 14.30 N ATOM 314 CA LYS A 41 17.603 19.833 38.842 1.00 17.28 C ATOM 315 C LYS A 41 16.240 19.373 38.170 1.00 27.65 C ATOM 316 O LYS A 41 16.197 18.996 36.967 1.00 29.49 O ATOM 317 CB LYS A 41 17.940 18.684 39.756 1.00 22.58 C ATOM 318 CG LYS A 41 17.810 17.299 39.038 1.00 33.97 C ATOM 319 CD LYS A 41 18.168 16.211 40.019 1.00 42.68 C ATOM 320 CE LYS A 41 18.164 14.840 39.341 1.00 27.51 C ATOM 321 NZ LYS A 41 16.765 14.219 39.057 0.00 0.00 N ATOM 0 H LYS A 41 17.666 20.946 40.493 1.00 14.30 H new ATOM 0 HA LYS A 41 18.246 20.042 38.146 1.00 17.28 H new ATOM 0 HB2 LYS A 41 18.845 18.791 40.087 1.00 22.58 H new ATOM 0 HB3 LYS A 41 17.352 18.703 40.527 1.00 22.58 H new ATOM 0 HG2 LYS A 41 16.905 17.173 38.711 1.00 33.97 H new ATOM 0 HG3 LYS A 41 18.397 17.263 38.267 1.00 33.97 H new ATOM 0 HD2 LYS A 41 19.044 16.386 40.397 1.00 42.68 H new ATOM 0 HD3 LYS A 41 17.536 16.214 40.755 1.00 42.68 H new ATOM 0 HE2 LYS A 41 18.641 14.914 38.500 1.00 27.51 H new ATOM 0 HE3 LYS A 41 18.664 14.223 39.898 1.00 27.51 H new ATOM 0 HZ1 LYS A 41 16.866 13.427 38.664 0.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.325 14.115 39.824 0.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.303 14.759 38.521 0.00 0.00 H new ATOM 322 N ASP A 42 15.184 19.531 38.923 1.00 20.03 N ATOM 323 CA ASP A 42 13.789 19.173 38.457 1.00 25.23 C ATOM 324 C ASP A 42 13.455 19.879 37.188 1.00 22.90 C ATOM 325 O ASP A 42 12.454 19.317 36.548 1.00 23.07 O ATOM 326 CB ASP A 42 12.774 19.372 39.571 1.00 37.30 C ATOM 327 CG ASP A 42 13.080 18.482 40.741 1.00 59.52 C ATOM 328 OD1 ASP A 42 13.871 19.043 41.631 1.00 53.91 O ATOM 329 OD2 ASP A 42 13.102 17.245 40.479 1.00 51.35 O ATOM 0 H ASP A 42 15.215 19.845 39.723 1.00 20.03 H new ATOM 0 HA ASP A 42 13.756 18.227 38.244 1.00 25.23 H new ATOM 0 HB2 ASP A 42 12.778 20.299 39.856 1.00 37.30 H new ATOM 0 HB3 ASP A 42 11.883 19.181 39.239 1.00 37.30 H new ATOM 330 N LEU A 43 14.213 21.065 36.880 1.00 16.60 N ATOM 331 CA LEU A 43 13.871 21.904 35.729 1.00 3.45 C ATOM 332 C LEU A 43 14.267 21.329 34.394 1.00 23.58 C ATOM 333 O LEU A 43 13.665 21.558 33.339 1.00 16.15 O ATOM 334 CB LEU A 43 14.647 23.380 35.822 1.00 18.77 C ATOM 335 CG LEU A 43 14.274 24.189 37.055 1.00 11.98 C ATOM 336 CD1 LEU A 43 15.206 25.587 37.118 1.00 11.81 C ATOM 337 CD2 LEU A 43 12.757 24.306 36.998 1.00 14.42 C ATOM 0 H LEU A 43 14.887 21.341 37.337 1.00 16.60 H new ATOM 0 HA LEU A 43 12.905 21.975 35.774 1.00 3.45 H new ATOM 0 HB2 LEU A 43 15.606 23.233 35.819 1.00 18.77 H new ATOM 0 HB3 LEU A 43 14.437 23.898 35.029 1.00 18.77 H new ATOM 0 HG LEU A 43 14.483 23.790 37.914 1.00 11.98 H new ATOM 0 HD11 LEU A 43 14.966 26.101 37.905 1.00 11.81 H new ATOM 0 HD12 LEU A 43 16.145 25.348 37.162 1.00 11.81 H new ATOM 0 HD13 LEU A 43 15.045 26.119 36.323 1.00 11.81 H new ATOM 0 HD21 LEU A 43 12.443 24.815 37.761 1.00 14.42 H new ATOM 0 HD22 LEU A 43 12.498 24.758 36.180 1.00 14.42 H new ATOM 0 HD23 LEU A 43 12.363 23.420 37.017 1.00 14.42 H new ATOM 338 N PHE A 44 15.270 20.615 34.392 1.00 18.08 N ATOM 339 CA PHE A 44 15.816 20.186 33.101 1.00 16.01 C ATOM 340 C PHE A 44 15.278 18.709 32.770 1.00 27.06 C ATOM 341 O PHE A 44 15.411 17.798 33.600 1.00 20.64 O ATOM 342 CB PHE A 44 17.382 20.330 33.188 1.00 19.37 C ATOM 343 CG PHE A 44 18.034 21.835 33.347 1.00 24.68 C ATOM 344 CD1 PHE A 44 18.304 22.396 34.604 1.00 15.35 C ATOM 345 CD2 PHE A 44 18.351 22.624 32.225 1.00 15.23 C ATOM 346 CE1 PHE A 44 18.902 23.765 34.734 1.00 19.10 C ATOM 347 CE2 PHE A 44 18.939 24.002 32.355 1.00 6.90 C ATOM 348 CZ PHE A 44 19.212 24.564 33.601 1.00 4.70 C ATOM 0 H PHE A 44 15.690 20.338 35.090 1.00 18.08 H new ATOM 0 HA PHE A 44 15.523 20.733 32.355 1.00 16.01 H new ATOM 0 HB2 PHE A 44 17.684 19.798 33.941 1.00 19.37 H new ATOM 0 HB3 PHE A 44 17.758 19.930 32.389 1.00 19.37 H new ATOM 0 HD1 PHE A 44 18.108 21.909 35.372 1.00 15.35 H new ATOM 0 HD2 PHE A 44 18.191 22.282 31.375 1.00 15.23 H new ATOM 0 HE1 PHE A 44 19.075 24.102 35.583 1.00 19.10 H new ATOM 0 HE2 PHE A 44 19.125 24.491 31.586 1.00 6.90 H new ATOM 0 HZ PHE A 44 19.577 25.415 33.686 1.00 4.70 H new ATOM 349 N SER A 45 14.735 18.506 31.597 1.00 22.39 N ATOM 350 CA SER A 45 13.985 17.197 31.124 1.00 26.29 C ATOM 351 C SER A 45 14.812 16.056 31.068 1.00 22.89 C ATOM 352 O SER A 45 14.339 14.899 31.513 1.00 24.37 O ATOM 353 CB SER A 45 13.256 17.337 29.760 1.00 38.25 C ATOM 354 OG SER A 45 14.181 17.813 28.693 1.00 35.56 O ATOM 0 H SER A 45 14.757 19.107 30.982 1.00 22.39 H new ATOM 0 HA SER A 45 13.320 17.074 31.820 1.00 26.29 H new ATOM 0 HB2 SER A 45 12.878 16.481 29.504 1.00 38.25 H new ATOM 0 HB3 SER A 45 12.516 17.958 29.849 1.00 38.25 H new ATOM 0 HG SER A 45 14.209 18.653 28.700 1.00 35.56 H new ATOM 355 N PHE A 46 16.067 16.455 30.706 1.00 10.53 N ATOM 356 CA PHE A 46 17.060 15.543 30.721 1.00 9.18 C ATOM 357 C PHE A 46 17.710 15.399 32.082 1.00 32.63 C ATOM 358 O PHE A 46 18.467 14.530 32.182 1.00 22.84 O ATOM 359 CB PHE A 46 18.168 15.923 29.649 1.00 9.16 C ATOM 360 CG PHE A 46 18.799 17.426 29.695 1.00 20.98 C ATOM 361 CD1 PHE A 46 18.345 18.330 28.825 1.00 21.99 C ATOM 362 CD2 PHE A 46 19.774 17.887 30.632 1.00 30.85 C ATOM 363 CE1 PHE A 46 18.859 19.695 28.890 1.00 19.57 C ATOM 364 CE2 PHE A 46 20.328 19.265 30.688 1.00 26.50 C ATOM 365 CZ PHE A 46 19.866 20.169 29.809 1.00 16.74 C ATOM 0 H PHE A 46 16.290 17.250 30.464 1.00 10.53 H new ATOM 0 HA PHE A 46 16.654 14.690 30.501 1.00 9.18 H new ATOM 0 HB2 PHE A 46 18.899 15.292 29.741 1.00 9.16 H new ATOM 0 HB3 PHE A 46 17.786 15.788 28.767 1.00 9.16 H new ATOM 0 HD1 PHE A 46 17.711 18.094 28.187 1.00 21.99 H new ATOM 0 HD2 PHE A 46 20.088 17.275 31.258 1.00 30.85 H new ATOM 0 HE1 PHE A 46 18.508 20.311 28.288 1.00 19.57 H new ATOM 0 HE2 PHE A 46 20.976 19.495 31.314 1.00 26.50 H new ATOM 0 HZ PHE A 46 20.176 21.046 29.793 1.00 16.74 H new ATOM 366 N LEU A 47 17.424 16.137 33.140 1.00 29.65 N ATOM 367 CA LEU A 47 17.922 15.797 34.505 1.00 19.52 C ATOM 368 C LEU A 47 16.788 15.035 35.398 1.00 30.30 C ATOM 369 O LEU A 47 17.059 14.326 36.371 1.00 21.57 O ATOM 370 CB LEU A 47 18.486 17.078 35.281 1.00 22.26 C ATOM 371 CG LEU A 47 19.705 17.850 34.552 1.00 31.18 C ATOM 372 CD1 LEU A 47 20.286 19.182 35.272 1.00 22.17 C ATOM 373 CD2 LEU A 47 20.752 16.901 34.338 1.00 27.77 C ATOM 0 H LEU A 47 16.941 16.848 33.109 1.00 29.65 H new ATOM 0 HA LEU A 47 18.662 15.183 34.377 1.00 19.52 H new ATOM 0 HB2 LEU A 47 17.758 17.705 35.411 1.00 22.26 H new ATOM 0 HB3 LEU A 47 18.781 16.800 36.162 1.00 22.26 H new ATOM 0 HG LEU A 47 19.333 18.204 33.729 1.00 31.18 H new ATOM 0 HD11 LEU A 47 21.009 19.549 34.739 1.00 22.17 H new ATOM 0 HD12 LEU A 47 19.579 19.841 35.354 1.00 22.17 H new ATOM 0 HD13 LEU A 47 20.619 18.954 36.154 1.00 22.17 H new ATOM 0 HD21 LEU A 47 21.500 17.337 33.900 1.00 27.77 H new ATOM 0 HD22 LEU A 47 21.042 16.541 35.191 1.00 27.77 H new ATOM 0 HD23 LEU A 47 20.426 16.180 33.777 1.00 27.77 H new ATOM 374 N LYS A 48 15.562 15.303 35.149 1.00 51.97 N ATOM 375 CA LYS A 48 14.384 14.667 35.931 1.00 58.91 C ATOM 376 C LYS A 48 14.290 13.130 35.896 1.00 51.69 C ATOM 377 O LYS A 48 14.220 12.526 34.792 1.00 49.86 O ATOM 378 CB LYS A 48 13.014 14.960 35.392 1.00 45.82 C ATOM 379 CG LYS A 48 12.881 16.465 35.348 0.00 0.00 C ATOM 380 CD LYS A 48 11.465 16.661 34.856 0.00 0.00 C ATOM 381 CE LYS A 48 11.142 16.049 33.459 0.00 0.00 C ATOM 382 NZ LYS A 48 9.777 16.253 33.050 0.00 0.00 N ATOM 0 H LYS A 48 15.314 15.851 34.534 1.00 51.97 H new ATOM 0 HA LYS A 48 14.593 15.051 36.797 1.00 58.91 H new ATOM 0 HB2 LYS A 48 12.902 14.578 34.507 1.00 45.82 H new ATOM 0 HB3 LYS A 48 12.330 14.570 35.958 1.00 45.82 H new ATOM 0 HG2 LYS A 48 13.017 16.864 36.221 0.00 0.00 H new ATOM 0 HG3 LYS A 48 13.529 16.866 34.748 0.00 0.00 H new ATOM 0 HD2 LYS A 48 10.858 16.276 35.507 0.00 0.00 H new ATOM 0 HD3 LYS A 48 11.280 17.613 34.824 0.00 0.00 H new ATOM 0 HE2 LYS A 48 11.733 16.440 32.797 0.00 0.00 H new ATOM 0 HE3 LYS A 48 11.328 15.097 33.479 0.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.649 15.885 32.250 0.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.230 15.874 33.641 0.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.607 17.126 33.006 0.00 0.00 H new ATOM 383 N GLY A 49 14.304 12.549 37.068 1.00 50.11 N ATOM 384 CA GLY A 49 14.089 11.082 37.183 1.00 55.72 C ATOM 385 C GLY A 49 15.426 10.569 37.354 1.00 56.34 C ATOM 386 O GLY A 49 15.435 9.500 38.013 1.00 54.20 O ATOM 0 H GLY A 49 14.432 12.957 37.814 1.00 50.11 H new ATOM 0 HA2 GLY A 49 13.520 10.861 37.937 1.00 55.72 H new ATOM 0 HA3 GLY A 49 13.664 10.718 36.391 1.00 55.72 H new ATOM 387 N THR A 50 16.514 11.329 36.814 1.00 40.66 N ATOM 388 CA THR A 50 17.853 10.926 37.010 1.00 53.69 C ATOM 389 C THR A 50 18.268 11.011 38.496 1.00 59.94 C ATOM 390 O THR A 50 17.689 11.724 39.285 1.00 55.32 O ATOM 391 CB THR A 50 18.973 11.721 36.106 1.00 44.61 C ATOM 392 OG1 THR A 50 19.482 12.983 36.682 1.00 32.67 O ATOM 393 CG2 THR A 50 18.492 12.017 34.711 1.00 27.33 C ATOM 0 H THR A 50 16.420 12.050 36.355 1.00 40.66 H new ATOM 0 HA THR A 50 17.851 10.005 36.705 1.00 53.69 H new ATOM 0 HB THR A 50 19.707 11.087 36.092 1.00 44.61 H new ATOM 0 HG1 THR A 50 18.866 13.554 36.693 1.00 32.67 H new ATOM 0 HG21 THR A 50 19.187 12.485 34.221 1.00 27.33 H new ATOM 0 HG22 THR A 50 18.281 11.186 34.258 1.00 27.33 H new ATOM 0 HG23 THR A 50 17.697 12.572 34.753 1.00 27.33 H new ATOM 394 N SER A 51 19.322 10.449 38.887 1.00 48.81 N ATOM 395 CA SER A 51 19.859 10.764 40.243 1.00 48.61 C ATOM 396 C SER A 51 21.164 11.746 40.169 1.00 52.53 C ATOM 397 O SER A 51 21.359 12.857 40.822 1.00 50.93 O ATOM 398 CB SER A 51 20.180 9.475 40.924 1.00 57.84 C ATOM 399 OG SER A 51 20.658 9.813 42.252 0.00 0.00 O ATOM 0 H SER A 51 19.778 9.880 38.431 1.00 48.81 H new ATOM 0 HA SER A 51 19.191 11.249 40.752 1.00 48.61 H new ATOM 0 HB2 SER A 51 19.395 8.907 40.975 1.00 57.84 H new ATOM 0 HB3 SER A 51 20.854 8.983 40.430 1.00 57.84 H new ATOM 0 HG SER A 51 20.849 9.109 42.669 0.00 0.00 H new ATOM 400 N GLU A 52 21.943 11.353 39.247 1.00 41.31 N ATOM 401 CA GLU A 52 23.222 12.206 38.871 1.00 50.13 C ATOM 402 C GLU A 52 23.102 12.861 37.500 1.00 47.05 C ATOM 403 O GLU A 52 22.285 12.264 36.653 1.00 36.99 O ATOM 404 CB GLU A 52 24.406 11.371 38.882 1.00 42.98 C ATOM 405 CG GLU A 52 24.660 10.755 40.250 0.00 0.00 C ATOM 406 CD GLU A 52 25.872 10.011 40.096 0.00 0.00 C ATOM 407 OE1 GLU A 52 26.684 10.314 39.144 0.00 0.00 O ATOM 408 OE2 GLU A 52 26.217 9.318 41.048 0.00 0.00 O ATOM 0 H GLU A 52 21.835 10.634 38.787 1.00 41.31 H new ATOM 0 HA GLU A 52 23.293 12.906 39.539 1.00 50.13 H new ATOM 0 HB2 GLU A 52 24.308 10.665 38.224 1.00 42.98 H new ATOM 0 HB3 GLU A 52 25.176 11.900 38.619 1.00 42.98 H new ATOM 0 HG2 GLU A 52 24.751 11.438 40.932 0.00 0.00 H new ATOM 0 HG3 GLU A 52 23.926 10.181 40.519 0.00 0.00 H new ATOM 409 N VAL A 53 23.902 14.032 37.289 1.00 22.83 N ATOM 410 CA VAL A 53 23.974 14.676 35.976 1.00 23.58 C ATOM 411 C VAL A 53 24.629 13.799 34.989 1.00 23.69 C ATOM 412 O VAL A 53 25.798 13.481 35.177 1.00 20.24 O ATOM 413 CB VAL A 53 24.718 16.163 36.176 1.00 25.49 C ATOM 414 CG1 VAL A 53 25.092 17.029 34.889 1.00 11.17 C ATOM 415 CG2 VAL A 53 23.806 16.833 37.116 1.00 13.52 C ATOM 0 H VAL A 53 24.371 14.413 37.901 1.00 22.83 H new ATOM 0 HA VAL A 53 23.089 14.831 35.611 1.00 23.58 H new ATOM 0 HB VAL A 53 25.628 16.042 36.491 1.00 25.49 H new ATOM 0 HG11 VAL A 53 25.513 17.857 35.167 1.00 11.17 H new ATOM 0 HG12 VAL A 53 25.704 16.528 34.328 1.00 11.17 H new ATOM 0 HG13 VAL A 53 24.286 17.229 34.388 1.00 11.17 H new ATOM 0 HG21 VAL A 53 24.139 17.723 37.312 1.00 13.52 H new ATOM 0 HG22 VAL A 53 22.923 16.899 36.719 1.00 13.52 H new ATOM 0 HG23 VAL A 53 23.753 16.320 37.937 1.00 13.52 H new ATOM 416 N PRO A 54 23.821 13.321 33.994 1.00 16.25 N ATOM 417 CA PRO A 54 24.268 12.535 32.871 1.00 11.44 C ATOM 418 C PRO A 54 25.570 13.200 32.194 1.00 23.91 C ATOM 419 O PRO A 54 25.867 14.471 32.077 1.00 22.85 O ATOM 420 CB PRO A 54 23.134 12.304 31.837 1.00 13.62 C ATOM 421 CG PRO A 54 22.225 13.354 32.166 1.00 23.52 C ATOM 422 CD PRO A 54 22.517 13.755 33.632 1.00 12.15 C ATOM 0 HA PRO A 54 24.520 11.659 33.204 1.00 11.44 H new ATOM 0 HB2 PRO A 54 23.454 12.372 30.924 1.00 13.62 H new ATOM 0 HB3 PRO A 54 22.728 11.428 31.931 1.00 13.62 H new ATOM 0 HG2 PRO A 54 22.345 14.111 31.572 1.00 23.52 H new ATOM 0 HG3 PRO A 54 21.307 13.058 32.067 1.00 23.52 H new ATOM 0 HD2 PRO A 54 22.446 14.717 33.734 1.00 12.15 H new ATOM 0 HD3 PRO A 54 21.858 13.358 34.223 1.00 12.15 H new ATOM 423 N GLN A 55 26.433 12.348 31.883 1.00 20.83 N ATOM 424 CA GLN A 55 27.735 12.895 31.342 1.00 16.45 C ATOM 425 C GLN A 55 27.825 12.916 29.821 1.00 18.13 C ATOM 426 O GLN A 55 28.636 13.811 29.209 1.00 26.04 O ATOM 427 CB GLN A 55 28.778 12.139 31.990 1.00 22.48 C ATOM 428 CG GLN A 55 28.549 12.057 33.494 1.00 23.70 C ATOM 429 CD GLN A 55 29.735 11.502 34.114 1.00 52.30 C ATOM 430 OE1 GLN A 55 30.892 11.778 33.590 1.00 54.57 O ATOM 431 NE2 GLN A 55 29.531 11.167 35.360 1.00 52.48 N ATOM 0 H GLN A 55 26.362 11.493 31.945 1.00 20.83 H new ATOM 0 HA GLN A 55 27.820 13.839 31.549 1.00 16.45 H new ATOM 0 HB2 GLN A 55 28.812 11.244 31.617 1.00 22.48 H new ATOM 0 HB3 GLN A 55 29.637 12.553 31.814 1.00 22.48 H new ATOM 0 HG2 GLN A 55 28.362 12.938 33.854 1.00 23.70 H new ATOM 0 HG3 GLN A 55 27.777 11.502 33.687 1.00 23.70 H new ATOM 0 HE21 GLN A 55 28.734 10.998 35.635 1.00 52.48 H new ATOM 0 HE22 GLN A 55 30.194 11.115 35.905 1.00 52.48 H new ATOM 432 N ASN A 56 27.054 11.942 29.200 1.00 15.18 N ATOM 433 CA ASN A 56 27.060 11.803 27.723 1.00 13.70 C ATOM 434 C ASN A 56 25.668 11.859 27.120 1.00 15.10 C ATOM 435 O ASN A 56 25.135 11.006 26.278 1.00 17.38 O ATOM 436 CB ASN A 56 27.569 10.475 27.259 1.00 9.81 C ATOM 437 CG ASN A 56 29.044 10.496 27.666 1.00 30.97 C ATOM 438 OD1 ASN A 56 29.333 10.136 28.839 1.00 18.53 O ATOM 439 ND2 ASN A 56 29.859 11.397 26.954 1.00 22.87 N ATOM 0 H ASN A 56 26.548 11.384 29.614 1.00 15.18 H new ATOM 0 HA ASN A 56 27.625 12.540 27.443 1.00 13.70 H new ATOM 0 HB2 ASN A 56 27.093 9.743 27.680 1.00 9.81 H new ATOM 0 HB3 ASN A 56 27.464 10.367 26.301 1.00 9.81 H new ATOM 0 HD21 ASN A 56 30.571 11.714 27.319 1.00 22.87 H new ATOM 0 HD22 ASN A 56 29.645 11.631 26.154 1.00 22.87 H new ATOM 440 N ASN A 57 25.038 12.823 27.566 1.00 10.70 N ATOM 441 CA ASN A 57 23.705 12.963 27.063 1.00 11.03 C ATOM 442 C ASN A 57 23.833 14.074 26.006 1.00 15.23 C ATOM 443 O ASN A 57 24.288 15.226 26.390 1.00 18.46 O ATOM 444 CB ASN A 57 22.788 13.237 28.242 1.00 10.89 C ATOM 445 CG ASN A 57 21.347 13.226 27.727 1.00 15.71 C ATOM 446 OD1 ASN A 57 21.085 14.249 27.114 1.00 23.38 O ATOM 447 ND2 ASN A 57 20.397 12.453 28.416 1.00 14.02 N ATOM 0 H ASN A 57 25.311 13.407 28.135 1.00 10.70 H new ATOM 0 HA ASN A 57 23.309 12.186 26.638 1.00 11.03 H new ATOM 0 HB2 ASN A 57 22.908 12.564 28.930 1.00 10.89 H new ATOM 0 HB3 ASN A 57 22.999 14.094 28.644 1.00 10.89 H new ATOM 0 HD21 ASN A 57 19.571 12.692 28.423 1.00 14.02 H new ATOM 0 HD22 ASN A 57 20.642 11.740 28.831 1.00 14.02 H new ATOM 448 N PRO A 58 23.353 13.814 24.788 1.00 15.08 N ATOM 449 CA PRO A 58 23.494 14.811 23.674 1.00 13.47 C ATOM 450 C PRO A 58 22.602 15.923 23.763 1.00 15.59 C ATOM 451 O PRO A 58 23.007 17.059 23.223 1.00 14.81 O ATOM 452 CB PRO A 58 23.164 14.042 22.375 1.00 13.64 C ATOM 453 CG PRO A 58 22.502 12.643 22.838 1.00 13.56 C ATOM 454 CD PRO A 58 22.717 12.491 24.341 1.00 12.93 C ATOM 0 HA PRO A 58 24.391 15.180 23.709 1.00 13.47 H new ATOM 0 HB2 PRO A 58 22.552 14.548 21.819 1.00 13.64 H new ATOM 0 HB3 PRO A 58 23.965 13.890 21.849 1.00 13.64 H new ATOM 0 HG2 PRO A 58 21.555 12.631 22.628 1.00 13.56 H new ATOM 0 HG3 PRO A 58 22.908 11.902 22.361 1.00 13.56 H new ATOM 0 HD2 PRO A 58 21.878 12.332 24.801 1.00 12.93 H new ATOM 0 HD3 PRO A 58 23.296 11.739 24.538 1.00 12.93 H new ATOM 455 N GLU A 59 21.514 15.661 24.529 1.00 16.51 N ATOM 456 CA GLU A 59 20.658 16.715 24.793 1.00 10.57 C ATOM 457 C GLU A 59 21.343 17.770 25.760 1.00 11.24 C ATOM 458 O GLU A 59 21.477 18.990 25.450 1.00 14.37 O ATOM 459 CB GLU A 59 19.321 16.181 25.476 1.00 14.12 C ATOM 460 CG GLU A 59 18.156 15.598 24.535 1.00 51.96 C ATOM 461 CD GLU A 59 16.839 15.728 25.282 1.00 68.81 C ATOM 462 OE1 GLU A 59 16.602 16.896 25.600 1.00 61.08 O ATOM 463 OE2 GLU A 59 16.272 14.734 25.952 1.00 52.30 O ATOM 0 H GLU A 59 21.303 14.900 24.869 1.00 16.51 H new ATOM 0 HA GLU A 59 20.447 17.145 23.950 1.00 10.57 H new ATOM 0 HB2 GLU A 59 19.569 15.484 26.104 1.00 14.12 H new ATOM 0 HB3 GLU A 59 18.944 16.909 25.995 1.00 14.12 H new ATOM 0 HG2 GLU A 59 18.120 16.086 23.698 1.00 51.96 H new ATOM 0 HG3 GLU A 59 18.331 14.670 24.315 1.00 51.96 H new ATOM 464 N LEU A 60 21.806 17.287 26.828 1.00 11.43 N ATOM 465 CA LEU A 60 22.641 18.161 27.717 1.00 9.12 C ATOM 466 C LEU A 60 23.828 19.002 26.987 1.00 7.78 C ATOM 467 O LEU A 60 24.168 20.235 27.257 1.00 14.12 O ATOM 468 CB LEU A 60 23.044 17.341 28.923 1.00 14.40 C ATOM 469 CG LEU A 60 23.914 18.160 30.025 1.00 18.96 C ATOM 470 CD1 LEU A 60 23.672 17.492 31.416 1.00 7.99 C ATOM 471 CD2 LEU A 60 25.461 18.519 29.713 1.00 9.70 C ATOM 0 H LEU A 60 21.685 16.481 27.103 1.00 11.43 H new ATOM 0 HA LEU A 60 22.101 18.909 28.017 1.00 9.12 H new ATOM 0 HB2 LEU A 60 22.244 16.996 29.349 1.00 14.40 H new ATOM 0 HB3 LEU A 60 23.559 16.575 28.624 1.00 14.40 H new ATOM 0 HG LEU A 60 23.574 19.068 30.000 1.00 18.96 H new ATOM 0 HD11 LEU A 60 24.181 17.963 32.094 1.00 7.99 H new ATOM 0 HD12 LEU A 60 22.728 17.533 31.635 1.00 7.99 H new ATOM 0 HD13 LEU A 60 23.956 16.565 31.384 1.00 7.99 H new ATOM 0 HD21 LEU A 60 25.838 19.005 30.463 1.00 9.70 H new ATOM 0 HD22 LEU A 60 25.962 17.700 29.575 1.00 9.70 H new ATOM 0 HD23 LEU A 60 25.511 19.067 28.914 1.00 9.70 H new ATOM 472 N GLN A 61 24.551 18.341 26.248 1.00 5.54 N ATOM 473 CA GLN A 61 25.769 19.004 25.584 1.00 9.83 C ATOM 474 C GLN A 61 25.504 20.086 24.592 1.00 15.66 C ATOM 475 O GLN A 61 26.296 21.201 24.614 1.00 6.99 O ATOM 476 CB GLN A 61 26.570 17.995 24.888 1.00 9.63 C ATOM 477 CG GLN A 61 27.205 17.142 25.930 1.00 9.02 C ATOM 478 CD GLN A 61 27.892 16.068 25.213 1.00 15.30 C ATOM 479 OE1 GLN A 61 28.256 15.124 25.890 1.00 20.21 O ATOM 480 NE2 GLN A 61 27.627 15.947 23.956 1.00 7.92 N ATOM 0 H GLN A 61 24.436 17.510 26.060 1.00 5.54 H new ATOM 0 HA GLN A 61 26.217 19.423 26.335 1.00 9.83 H new ATOM 0 HB2 GLN A 61 26.013 17.461 24.301 1.00 9.63 H new ATOM 0 HB3 GLN A 61 27.244 18.416 24.333 1.00 9.63 H new ATOM 0 HG2 GLN A 61 27.829 17.656 26.466 1.00 9.02 H new ATOM 0 HG3 GLN A 61 26.539 16.783 26.537 1.00 9.02 H new ATOM 0 HE21 GLN A 61 27.372 16.632 23.503 1.00 7.92 H new ATOM 0 HE22 GLN A 61 27.706 15.182 23.572 1.00 7.92 H new ATOM 481 N ALA A 62 24.407 19.751 23.823 1.00 14.07 N ATOM 482 CA ALA A 62 24.002 20.693 22.812 1.00 19.01 C ATOM 483 C ALA A 62 23.362 21.839 23.430 1.00 21.34 C ATOM 484 O ALA A 62 23.832 23.015 23.075 1.00 15.25 O ATOM 485 CB ALA A 62 22.933 19.980 21.909 1.00 16.56 C ATOM 0 H ALA A 62 23.940 19.032 23.889 1.00 14.07 H new ATOM 0 HA ALA A 62 24.775 20.986 22.304 1.00 19.01 H new ATOM 0 HB1 ALA A 62 22.638 20.589 21.214 1.00 16.56 H new ATOM 0 HB2 ALA A 62 23.327 19.193 21.502 1.00 16.56 H new ATOM 0 HB3 ALA A 62 22.174 19.717 22.452 1.00 16.56 H new ATOM 486 N HIS A 63 22.603 21.544 24.530 1.00 11.96 N ATOM 487 CA HIS A 63 22.182 22.634 25.342 1.00 15.61 C ATOM 488 C HIS A 63 23.362 23.675 25.939 1.00 19.33 C ATOM 489 O HIS A 63 23.489 24.925 25.664 1.00 13.78 O ATOM 490 CB HIS A 63 21.278 21.973 26.476 1.00 4.87 C ATOM 491 CG HIS A 63 20.854 23.103 27.388 1.00 11.15 C ATOM 492 ND1 HIS A 63 19.617 23.494 27.280 1.00 24.20 N ATOM 493 CD2 HIS A 63 21.501 23.790 28.416 1.00 18.17 C ATOM 494 CE1 HIS A 63 19.469 24.403 28.297 1.00 21.65 C ATOM 495 NE2 HIS A 63 20.671 24.611 29.025 1.00 12.92 N ATOM 0 H HIS A 63 22.354 20.760 24.780 1.00 11.96 H new ATOM 0 HA HIS A 63 21.699 23.265 24.786 1.00 15.61 H new ATOM 0 HB2 HIS A 63 20.506 21.531 26.090 1.00 4.87 H new ATOM 0 HB3 HIS A 63 21.775 21.299 26.966 1.00 4.87 H new ATOM 0 HD2 HIS A 63 22.397 23.683 28.641 1.00 18.17 H new ATOM 0 HE1 HIS A 63 18.669 24.836 28.489 1.00 21.65 H new ATOM 0 HE2 HIS A 63 20.818 25.136 29.690 1.00 12.92 H new ATOM 496 N ALA A 64 24.201 23.173 26.801 1.00 15.06 N ATOM 497 CA ALA A 64 25.315 24.050 27.419 1.00 9.28 C ATOM 498 C ALA A 64 26.340 24.801 26.425 1.00 16.21 C ATOM 499 O ALA A 64 26.831 26.005 26.668 1.00 16.20 O ATOM 500 CB ALA A 64 25.991 23.303 28.488 1.00 10.77 C ATOM 0 H ALA A 64 24.191 22.357 27.071 1.00 15.06 H new ATOM 0 HA ALA A 64 24.843 24.817 27.781 1.00 9.28 H new ATOM 0 HB1 ALA A 64 26.690 23.853 28.876 1.00 10.77 H new ATOM 0 HB2 ALA A 64 25.348 23.067 29.175 1.00 10.77 H new ATOM 0 HB3 ALA A 64 26.383 22.495 28.121 1.00 10.77 H new ATOM 501 N GLY A 65 26.520 24.181 25.260 1.00 12.00 N ATOM 502 CA GLY A 65 27.378 24.837 24.197 1.00 13.51 C ATOM 503 C GLY A 65 26.819 26.087 23.659 1.00 34.28 C ATOM 504 O GLY A 65 27.628 27.180 23.489 1.00 16.61 O ATOM 0 H GLY A 65 26.184 23.418 25.047 1.00 12.00 H new ATOM 0 HA2 GLY A 65 28.254 25.021 24.570 1.00 13.51 H new ATOM 0 HA3 GLY A 65 27.506 24.211 23.467 1.00 13.51 H new ATOM 505 N LYS A 66 25.467 25.954 23.501 1.00 18.40 N ATOM 506 CA LYS A 66 24.769 27.059 22.959 1.00 11.99 C ATOM 507 C LYS A 66 24.838 28.229 23.942 1.00 25.30 C ATOM 508 O LYS A 66 24.994 29.410 23.492 1.00 19.06 O ATOM 509 CB LYS A 66 23.249 26.591 22.737 1.00 15.55 C ATOM 510 CG LYS A 66 22.995 25.625 21.527 1.00 57.86 C ATOM 511 CD LYS A 66 21.520 24.861 21.501 1.00 60.29 C ATOM 512 CE LYS A 66 20.487 25.751 21.020 1.00 57.85 C ATOM 513 NZ LYS A 66 19.151 24.923 20.861 0.00 0.00 N ATOM 0 H LYS A 66 24.997 25.262 23.699 1.00 18.40 H new ATOM 0 HA LYS A 66 25.156 27.350 22.118 1.00 11.99 H new ATOM 0 HB2 LYS A 66 22.943 26.153 23.547 1.00 15.55 H new ATOM 0 HB3 LYS A 66 22.700 27.382 22.617 1.00 15.55 H new ATOM 0 HG2 LYS A 66 23.091 26.132 20.706 1.00 57.86 H new ATOM 0 HG3 LYS A 66 23.690 24.948 21.525 1.00 57.86 H new ATOM 0 HD2 LYS A 66 21.568 24.077 20.932 1.00 60.29 H new ATOM 0 HD3 LYS A 66 21.296 24.551 22.393 1.00 60.29 H new ATOM 0 HE2 LYS A 66 20.358 26.485 21.641 1.00 57.85 H new ATOM 0 HE3 LYS A 66 20.746 26.141 20.170 1.00 57.85 H new ATOM 0 HZ1 LYS A 66 18.504 25.457 20.565 0.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.279 24.262 20.279 0.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.917 24.583 21.649 0.00 0.00 H new ATOM 514 N VAL A 67 24.690 27.899 25.216 1.00 15.22 N ATOM 515 CA VAL A 67 24.859 28.933 26.275 1.00 21.09 C ATOM 516 C VAL A 67 26.238 29.834 26.241 1.00 17.15 C ATOM 517 O VAL A 67 26.297 31.106 26.182 1.00 16.31 O ATOM 518 CB VAL A 67 24.603 28.329 27.684 1.00 15.55 C ATOM 519 CG1 VAL A 67 24.872 29.470 28.743 1.00 11.37 C ATOM 520 CG2 VAL A 67 23.131 27.562 27.798 1.00 8.50 C ATOM 0 H VAL A 67 24.497 27.111 25.500 1.00 15.22 H new ATOM 0 HA VAL A 67 24.176 29.588 26.061 1.00 21.09 H new ATOM 0 HB VAL A 67 25.218 27.602 27.871 1.00 15.55 H new ATOM 0 HG11 VAL A 67 24.721 29.125 29.637 1.00 11.37 H new ATOM 0 HG12 VAL A 67 25.790 29.774 28.666 1.00 11.37 H new ATOM 0 HG13 VAL A 67 24.271 30.213 28.578 1.00 11.37 H new ATOM 0 HG21 VAL A 67 23.021 27.204 28.693 1.00 8.50 H new ATOM 0 HG22 VAL A 67 22.420 28.196 27.614 1.00 8.50 H new ATOM 0 HG23 VAL A 67 23.092 26.838 27.154 1.00 8.50 H new ATOM 521 N PHE A 68 27.292 29.168 26.145 1.00 12.01 N ATOM 522 CA PHE A 68 28.651 29.940 26.119 1.00 15.38 C ATOM 523 C PHE A 68 28.953 30.739 24.832 1.00 18.03 C ATOM 524 O PHE A 68 29.629 31.898 24.921 1.00 17.25 O ATOM 525 CB PHE A 68 29.738 29.078 26.405 1.00 11.69 C ATOM 526 CG PHE A 68 29.820 28.765 27.913 1.00 19.55 C ATOM 527 CD1 PHE A 68 30.913 29.400 28.650 1.00 15.85 C ATOM 528 CD2 PHE A 68 28.850 27.807 28.499 1.00 8.41 C ATOM 529 CE1 PHE A 68 31.051 29.060 29.986 1.00 9.72 C ATOM 530 CE2 PHE A 68 28.990 27.441 29.828 1.00 7.53 C ATOM 531 CZ PHE A 68 30.083 28.066 30.559 1.00 18.59 C ATOM 0 H PHE A 68 27.342 28.311 26.091 1.00 12.01 H new ATOM 0 HA PHE A 68 28.545 30.605 26.817 1.00 15.38 H new ATOM 0 HB2 PHE A 68 29.639 28.252 25.906 1.00 11.69 H new ATOM 0 HB3 PHE A 68 30.566 29.489 26.112 1.00 11.69 H new ATOM 0 HD1 PHE A 68 31.489 30.004 28.240 1.00 15.85 H new ATOM 0 HD2 PHE A 68 28.160 27.458 27.983 1.00 8.41 H new ATOM 0 HE1 PHE A 68 31.721 29.435 30.510 1.00 9.72 H new ATOM 0 HE2 PHE A 68 28.417 26.829 30.231 1.00 7.53 H new ATOM 0 HZ PHE A 68 30.190 27.831 31.452 1.00 18.59 H new ATOM 532 N LYS A 69 28.391 30.170 23.741 1.00 11.46 N ATOM 533 CA LYS A 69 28.549 30.861 22.465 1.00 7.08 C ATOM 534 C LYS A 69 27.913 32.165 22.414 1.00 9.72 C ATOM 535 O LYS A 69 28.571 33.203 21.908 1.00 11.70 O ATOM 536 CB LYS A 69 28.019 29.935 21.323 1.00 9.23 C ATOM 537 CG LYS A 69 28.666 30.529 20.002 1.00 18.74 C ATOM 538 CD LYS A 69 27.782 29.985 18.811 1.00 48.40 C ATOM 539 CE LYS A 69 26.292 30.205 19.048 1.00 56.54 C ATOM 540 NZ LYS A 69 25.491 29.879 17.829 0.00 0.00 N ATOM 0 H LYS A 69 27.946 29.434 23.725 1.00 11.46 H new ATOM 0 HA LYS A 69 29.495 31.040 22.349 1.00 7.08 H new ATOM 0 HB2 LYS A 69 28.285 29.013 21.463 1.00 9.23 H new ATOM 0 HB3 LYS A 69 27.050 29.947 21.279 1.00 9.23 H new ATOM 0 HG2 LYS A 69 28.667 31.499 20.020 1.00 18.74 H new ATOM 0 HG3 LYS A 69 29.589 30.246 19.908 1.00 18.74 H new ATOM 0 HD2 LYS A 69 28.045 30.426 17.988 1.00 48.40 H new ATOM 0 HD3 LYS A 69 27.952 29.037 18.692 1.00 48.40 H new ATOM 0 HE2 LYS A 69 25.996 29.653 19.789 1.00 56.54 H new ATOM 0 HE3 LYS A 69 26.136 31.128 19.302 1.00 56.54 H new ATOM 0 HZ1 LYS A 69 24.628 30.016 17.995 0.00 0.00 H new ATOM 0 HZ2 LYS A 69 25.749 30.400 17.156 0.00 0.00 H new ATOM 0 HZ3 LYS A 69 25.618 29.026 17.609 0.00 0.00 H new ATOM 541 N LEU A 70 26.728 32.150 22.994 1.00 10.57 N ATOM 542 CA LEU A 70 26.019 33.337 23.076 1.00 8.07 C ATOM 543 C LEU A 70 26.744 34.449 23.955 1.00 19.49 C ATOM 544 O LEU A 70 26.833 35.634 23.528 1.00 14.71 O ATOM 545 CB LEU A 70 24.568 33.062 23.640 1.00 4.39 C ATOM 546 CG LEU A 70 23.625 32.139 22.733 1.00 21.85 C ATOM 547 CD1 LEU A 70 22.209 31.845 23.377 1.00 26.44 C ATOM 548 CD2 LEU A 70 23.618 32.829 21.358 1.00 27.22 C ATOM 0 H LEU A 70 26.345 31.459 23.333 1.00 10.57 H new ATOM 0 HA LEU A 70 25.967 33.690 22.174 1.00 8.07 H new ATOM 0 HB2 LEU A 70 24.653 32.648 24.513 1.00 4.39 H new ATOM 0 HB3 LEU A 70 24.125 33.915 23.773 1.00 4.39 H new ATOM 0 HG LEU A 70 23.960 31.233 22.647 1.00 21.85 H new ATOM 0 HD11 LEU A 70 21.691 31.284 22.779 1.00 26.44 H new ATOM 0 HD12 LEU A 70 22.327 31.390 24.225 1.00 26.44 H new ATOM 0 HD13 LEU A 70 21.739 32.681 23.522 1.00 26.44 H new ATOM 0 HD21 LEU A 70 23.061 32.324 20.745 1.00 27.22 H new ATOM 0 HD22 LEU A 70 23.265 33.728 21.449 1.00 27.22 H new ATOM 0 HD23 LEU A 70 24.523 32.871 21.012 1.00 27.22 H new ATOM 549 N VAL A 71 27.320 34.083 25.068 1.00 8.81 N ATOM 550 CA VAL A 71 28.163 35.148 25.880 1.00 10.98 C ATOM 551 C VAL A 71 29.461 35.815 25.194 1.00 21.60 C ATOM 552 O VAL A 71 29.795 37.085 25.165 1.00 13.59 O ATOM 553 CB VAL A 71 28.405 34.673 27.326 1.00 11.33 C ATOM 554 CG1 VAL A 71 29.269 35.810 28.161 1.00 4.01 C ATOM 555 CG2 VAL A 71 27.040 34.210 28.029 1.00 3.64 C ATOM 0 H VAL A 71 27.284 33.295 25.412 1.00 8.81 H new ATOM 0 HA VAL A 71 27.578 35.922 25.880 1.00 10.98 H new ATOM 0 HB VAL A 71 28.954 33.874 27.321 1.00 11.33 H new ATOM 0 HG11 VAL A 71 29.416 35.502 29.069 1.00 4.01 H new ATOM 0 HG12 VAL A 71 30.124 35.951 27.725 1.00 4.01 H new ATOM 0 HG13 VAL A 71 28.774 36.644 28.179 1.00 4.01 H new ATOM 0 HG21 VAL A 71 27.225 33.918 28.935 1.00 3.64 H new ATOM 0 HG22 VAL A 71 26.418 34.954 28.051 1.00 3.64 H new ATOM 0 HG23 VAL A 71 26.649 33.478 27.527 1.00 3.64 H new ATOM 556 N TYR A 72 30.091 34.982 24.507 1.00 21.55 N ATOM 557 CA TYR A 72 31.293 35.437 23.663 1.00 11.99 C ATOM 558 C TYR A 72 30.950 36.360 22.550 1.00 12.40 C ATOM 559 O TYR A 72 31.775 37.391 22.252 1.00 16.96 O ATOM 560 CB TYR A 72 31.895 34.162 23.168 1.00 11.36 C ATOM 561 CG TYR A 72 32.701 34.399 21.861 1.00 5.46 C ATOM 562 CD1 TYR A 72 32.151 33.827 20.705 1.00 24.66 C ATOM 563 CD2 TYR A 72 33.937 35.236 21.833 1.00 10.46 C ATOM 564 CE1 TYR A 72 32.835 34.073 19.515 1.00 24.31 C ATOM 565 CE2 TYR A 72 34.633 35.477 20.653 1.00 8.48 C ATOM 566 CZ TYR A 72 34.074 34.886 19.491 1.00 21.56 C ATOM 567 OH TYR A 72 34.766 35.139 18.237 1.00 34.94 O ATOM 0 H TYR A 72 29.907 34.143 24.461 1.00 21.55 H new ATOM 0 HA TYR A 72 31.905 35.967 24.197 1.00 11.99 H new ATOM 0 HB2 TYR A 72 32.477 33.790 23.848 1.00 11.36 H new ATOM 0 HB3 TYR A 72 31.195 33.511 23.007 1.00 11.36 H new ATOM 0 HD1 TYR A 72 31.376 33.314 20.730 1.00 24.66 H new ATOM 0 HD2 TYR A 72 34.250 35.606 22.626 1.00 10.46 H new ATOM 0 HE1 TYR A 72 32.507 33.720 18.720 1.00 24.31 H new ATOM 0 HE2 TYR A 72 35.409 35.989 20.628 1.00 8.48 H new ATOM 0 HH TYR A 72 35.445 35.611 18.382 1.00 34.94 H new ATOM 568 N GLU A 73 29.805 35.963 21.873 1.00 16.27 N ATOM 569 CA GLU A 73 29.467 36.747 20.705 1.00 13.49 C ATOM 570 C GLU A 73 29.056 38.091 21.166 1.00 14.57 C ATOM 571 O GLU A 73 29.476 39.158 20.531 1.00 15.41 O ATOM 572 CB GLU A 73 28.272 35.950 19.937 1.00 11.70 C ATOM 573 CG GLU A 73 28.683 34.732 19.171 1.00 30.57 C ATOM 574 CD GLU A 73 27.531 34.053 18.270 1.00 38.32 C ATOM 575 OE1 GLU A 73 27.832 33.283 17.363 1.00 40.55 O ATOM 576 OE2 GLU A 73 26.302 34.087 18.530 1.00 34.04 O ATOM 0 H GLU A 73 29.284 35.309 22.074 1.00 16.27 H new ATOM 0 HA GLU A 73 30.207 36.864 20.089 1.00 13.49 H new ATOM 0 HB2 GLU A 73 27.608 35.689 20.594 1.00 11.70 H new ATOM 0 HB3 GLU A 73 27.839 36.565 19.324 1.00 11.70 H new ATOM 0 HG2 GLU A 73 29.426 34.968 18.593 1.00 30.57 H new ATOM 0 HG3 GLU A 73 29.012 34.070 19.799 1.00 30.57 H new ATOM 577 N ALA A 74 28.438 38.051 22.338 1.00 12.42 N ATOM 578 CA ALA A 74 28.128 39.302 23.023 1.00 14.79 C ATOM 579 C ALA A 74 29.380 40.321 23.308 1.00 8.32 C ATOM 580 O ALA A 74 29.401 41.553 23.033 1.00 12.98 O ATOM 581 CB ALA A 74 27.371 39.010 24.346 1.00 16.37 C ATOM 0 H ALA A 74 28.195 37.334 22.746 1.00 12.42 H new ATOM 0 HA ALA A 74 27.573 39.784 22.390 1.00 14.79 H new ATOM 0 HB1 ALA A 74 27.169 39.846 24.795 1.00 16.37 H new ATOM 0 HB2 ALA A 74 26.545 38.541 24.150 1.00 16.37 H new ATOM 0 HB3 ALA A 74 27.925 38.460 24.922 1.00 16.37 H new ATOM 582 N ALA A 75 30.382 39.809 23.844 1.00 10.41 N ATOM 583 CA ALA A 75 31.678 40.653 24.104 1.00 7.31 C ATOM 584 C ALA A 75 32.348 41.308 22.840 1.00 12.23 C ATOM 585 O ALA A 75 32.969 42.487 22.900 1.00 18.11 O ATOM 586 CB ALA A 75 32.675 39.872 24.787 1.00 4.69 C ATOM 0 H ALA A 75 30.430 38.989 24.098 1.00 10.41 H new ATOM 0 HA ALA A 75 31.355 41.387 24.650 1.00 7.31 H new ATOM 0 HB1 ALA A 75 33.465 40.415 24.936 1.00 4.69 H new ATOM 0 HB2 ALA A 75 32.323 39.572 25.640 1.00 4.69 H new ATOM 0 HB3 ALA A 75 32.910 39.102 24.246 1.00 4.69 H new ATOM 587 N ILE A 76 32.281 40.606 21.736 1.00 17.49 N ATOM 588 CA ILE A 76 32.927 41.246 20.520 1.00 14.30 C ATOM 589 C ILE A 76 32.062 42.243 19.974 1.00 25.10 C ATOM 590 O ILE A 76 32.630 43.404 19.623 1.00 12.02 O ATOM 591 CB ILE A 76 33.032 40.169 19.416 1.00 19.75 C ATOM 592 CG1 ILE A 76 33.778 39.011 19.916 1.00 20.87 C ATOM 593 CG2 ILE A 76 33.624 40.815 18.086 1.00 16.69 C ATOM 594 CD1 ILE A 76 35.218 39.545 20.410 1.00 15.26 C ATOM 0 H ILE A 76 31.916 39.835 21.631 1.00 17.49 H new ATOM 0 HA ILE A 76 33.783 41.619 20.783 1.00 14.30 H new ATOM 0 HB ILE A 76 32.154 39.832 19.178 1.00 19.75 H new ATOM 0 HG12 ILE A 76 33.302 38.587 20.647 1.00 20.87 H new ATOM 0 HG13 ILE A 76 33.881 38.344 19.219 1.00 20.87 H new ATOM 0 HG21 ILE A 76 33.688 40.136 17.397 1.00 16.69 H new ATOM 0 HG22 ILE A 76 33.039 41.527 17.784 1.00 16.69 H new ATOM 0 HG23 ILE A 76 34.506 41.176 18.266 1.00 16.69 H new ATOM 0 HD11 ILE A 76 35.740 38.801 20.749 1.00 15.26 H new ATOM 0 HD12 ILE A 76 35.685 39.954 19.665 1.00 15.26 H new ATOM 0 HD13 ILE A 76 35.096 40.201 21.114 1.00 15.26 H new ATOM 595 N GLN A 77 30.715 41.812 19.992 1.00 4.50 N ATOM 596 CA GLN A 77 29.849 42.766 19.570 1.00 8.41 C ATOM 597 C GLN A 77 30.016 44.079 20.431 1.00 21.07 C ATOM 598 O GLN A 77 30.172 45.228 19.919 1.00 15.59 O ATOM 599 CB GLN A 77 28.361 42.006 19.499 1.00 11.74 C ATOM 600 CG GLN A 77 27.467 42.921 18.805 1.00 20.31 C ATOM 601 CD GLN A 77 26.117 42.086 18.499 1.00 21.68 C ATOM 602 OE1 GLN A 77 25.782 41.771 17.312 1.00 21.90 O ATOM 603 NE2 GLN A 77 25.462 41.713 19.586 1.00 4.66 N ATOM 0 H GLN A 77 30.401 41.048 20.230 1.00 4.50 H new ATOM 0 HA GLN A 77 30.007 43.122 18.682 1.00 8.41 H new ATOM 0 HB2 GLN A 77 28.426 41.161 19.027 1.00 11.74 H new ATOM 0 HB3 GLN A 77 28.031 41.808 20.389 1.00 11.74 H new ATOM 0 HG2 GLN A 77 27.276 43.700 19.351 1.00 20.31 H new ATOM 0 HG3 GLN A 77 27.870 43.242 17.983 1.00 20.31 H new ATOM 0 HE21 GLN A 77 25.740 41.960 20.362 1.00 4.66 H new ATOM 0 HE22 GLN A 77 24.758 41.224 19.517 1.00 4.66 H new ATOM 604 N LEU A 78 30.287 44.012 21.712 1.00 17.79 N ATOM 605 CA LEU A 78 30.603 45.260 22.541 1.00 10.83 C ATOM 606 C LEU A 78 31.962 46.106 22.219 1.00 8.20 C ATOM 607 O LEU A 78 32.035 47.353 22.028 1.00 21.08 O ATOM 608 CB LEU A 78 30.673 44.887 24.014 1.00 15.78 C ATOM 609 CG LEU A 78 29.313 44.572 24.718 1.00 18.95 C ATOM 610 CD1 LEU A 78 29.457 43.671 25.957 1.00 16.51 C ATOM 611 CD2 LEU A 78 28.860 45.953 25.089 1.00 9.93 C ATOM 0 H LEU A 78 30.304 43.278 22.159 1.00 17.79 H new ATOM 0 HA LEU A 78 29.873 45.849 22.292 1.00 10.83 H new ATOM 0 HB2 LEU A 78 31.248 44.111 24.104 1.00 15.78 H new ATOM 0 HB3 LEU A 78 31.101 45.615 24.492 1.00 15.78 H new ATOM 0 HG LEU A 78 28.698 44.073 24.158 1.00 18.95 H new ATOM 0 HD11 LEU A 78 28.583 43.514 26.346 1.00 16.51 H new ATOM 0 HD12 LEU A 78 29.852 42.824 25.697 1.00 16.51 H new ATOM 0 HD13 LEU A 78 30.027 44.107 26.610 1.00 16.51 H new ATOM 0 HD21 LEU A 78 28.005 45.902 25.545 1.00 9.93 H new ATOM 0 HD22 LEU A 78 29.515 46.362 25.676 1.00 9.93 H new ATOM 0 HD23 LEU A 78 28.766 46.490 24.286 1.00 9.93 H new ATOM 612 N GLU A 79 32.918 45.423 21.871 1.00 11.43 N ATOM 613 CA GLU A 79 34.209 46.153 21.489 1.00 4.52 C ATOM 614 C GLU A 79 34.144 46.821 20.130 1.00 17.80 C ATOM 615 O GLU A 79 34.681 48.027 20.025 1.00 23.04 O ATOM 616 CB GLU A 79 35.270 45.199 21.429 1.00 14.71 C ATOM 617 CG GLU A 79 36.743 45.952 21.343 1.00 10.56 C ATOM 618 CD GLU A 79 37.277 45.735 19.944 1.00 39.06 C ATOM 619 OE1 GLU A 79 36.973 44.601 19.375 1.00 36.77 O ATOM 620 OE2 GLU A 79 37.737 46.770 19.262 1.00 36.87 O ATOM 0 H GLU A 79 32.935 44.565 21.820 1.00 11.43 H new ATOM 0 HA GLU A 79 34.348 46.839 22.161 1.00 4.52 H new ATOM 0 HB2 GLU A 79 35.240 44.628 22.213 1.00 14.71 H new ATOM 0 HB3 GLU A 79 35.151 44.626 20.656 1.00 14.71 H new ATOM 0 HG2 GLU A 79 36.655 46.899 21.532 1.00 10.56 H new ATOM 0 HG3 GLU A 79 37.353 45.587 22.003 1.00 10.56 H new ATOM 621 N VAL A 80 33.523 46.113 19.166 1.00 11.29 N ATOM 622 CA VAL A 80 33.364 46.639 17.790 1.00 20.43 C ATOM 623 C VAL A 80 32.494 47.775 17.715 1.00 28.29 C ATOM 624 O VAL A 80 32.885 48.807 17.026 1.00 24.52 O ATOM 625 CB VAL A 80 32.741 45.425 16.887 1.00 5.35 C ATOM 626 CG1 VAL A 80 32.350 45.868 15.479 1.00 14.93 C ATOM 627 CG2 VAL A 80 33.927 44.641 16.759 1.00 14.25 C ATOM 0 H VAL A 80 33.188 45.330 19.287 1.00 11.29 H new ATOM 0 HA VAL A 80 34.230 46.938 17.471 1.00 20.43 H new ATOM 0 HB VAL A 80 31.946 45.023 17.270 1.00 5.35 H new ATOM 0 HG11 VAL A 80 31.988 45.112 14.990 1.00 14.93 H new ATOM 0 HG12 VAL A 80 31.680 46.567 15.534 1.00 14.93 H new ATOM 0 HG13 VAL A 80 33.133 46.206 15.017 1.00 14.93 H new ATOM 0 HG21 VAL A 80 33.736 43.849 16.232 1.00 14.25 H new ATOM 0 HG22 VAL A 80 34.615 45.164 16.319 1.00 14.25 H new ATOM 0 HG23 VAL A 80 34.237 44.376 17.639 1.00 14.25 H new ATOM 628 N THR A 81 31.265 47.495 18.218 1.00 11.10 N ATOM 629 CA THR A 81 30.218 48.303 17.986 1.00 16.50 C ATOM 630 C THR A 81 30.039 49.225 19.173 1.00 12.06 C ATOM 631 O THR A 81 29.378 50.183 19.010 1.00 15.44 O ATOM 632 CB THR A 81 28.864 47.408 17.624 1.00 3.64 C ATOM 633 OG1 THR A 81 28.276 46.652 18.758 1.00 17.24 O ATOM 634 CG2 THR A 81 29.045 46.437 16.501 1.00 11.93 C ATOM 0 H THR A 81 31.086 46.806 18.700 1.00 11.10 H new ATOM 0 HA THR A 81 30.379 48.861 17.209 1.00 16.50 H new ATOM 0 HB THR A 81 28.251 48.113 17.362 1.00 3.64 H new ATOM 0 HG1 THR A 81 28.892 46.317 19.221 1.00 17.24 H new ATOM 0 HG21 THR A 81 28.216 45.956 16.352 1.00 11.93 H new ATOM 0 HG22 THR A 81 29.290 46.917 15.694 1.00 11.93 H new ATOM 0 HG23 THR A 81 29.747 45.807 16.728 1.00 11.93 H new ATOM 635 N GLY A 82 30.347 48.766 20.356 1.00 11.09 N ATOM 636 CA GLY A 82 30.000 49.441 21.592 1.00 8.94 C ATOM 637 C GLY A 82 28.678 48.874 22.308 1.00 13.00 C ATOM 638 O GLY A 82 28.320 49.353 23.402 1.00 14.54 O ATOM 0 H GLY A 82 30.777 48.031 20.476 1.00 11.09 H new ATOM 0 HA2 GLY A 82 30.745 49.368 22.208 1.00 8.94 H new ATOM 0 HA3 GLY A 82 29.876 50.385 21.408 1.00 8.94 H new ATOM 639 N VAL A 83 27.866 47.949 21.674 1.00 15.33 N ATOM 640 CA VAL A 83 26.559 47.327 22.281 1.00 17.15 C ATOM 641 C VAL A 83 26.386 45.779 22.235 1.00 14.22 C ATOM 642 O VAL A 83 26.993 45.225 21.349 1.00 16.66 O ATOM 643 CB VAL A 83 25.326 47.837 21.614 1.00 8.46 C ATOM 644 CG1 VAL A 83 25.478 49.376 21.743 1.00 17.66 C ATOM 645 CG2 VAL A 83 25.221 47.466 20.103 1.00 14.89 C ATOM 0 H VAL A 83 28.039 47.654 20.885 1.00 15.33 H new ATOM 0 HA VAL A 83 26.671 47.600 23.205 1.00 17.15 H new ATOM 0 HB VAL A 83 24.532 47.455 22.020 1.00 8.46 H new ATOM 0 HG11 VAL A 83 24.715 49.812 21.333 1.00 17.66 H new ATOM 0 HG12 VAL A 83 25.524 49.619 22.681 1.00 17.66 H new ATOM 0 HG13 VAL A 83 26.290 49.660 21.295 1.00 17.66 H new ATOM 0 HG21 VAL A 83 24.399 47.828 19.737 1.00 14.89 H new ATOM 0 HG22 VAL A 83 25.979 47.838 19.625 1.00 14.89 H new ATOM 0 HG23 VAL A 83 25.220 46.501 20.006 1.00 14.89 H new ATOM 646 N VAL A 84 25.360 45.117 22.925 1.00 15.85 N ATOM 647 CA VAL A 84 24.742 43.721 22.520 1.00 22.06 C ATOM 648 C VAL A 84 23.451 43.795 21.737 1.00 12.88 C ATOM 649 O VAL A 84 22.586 44.396 22.287 1.00 20.73 O ATOM 650 CB VAL A 84 24.362 42.836 23.781 1.00 15.13 C ATOM 651 CG1 VAL A 84 23.587 41.469 23.399 1.00 14.88 C ATOM 652 CG2 VAL A 84 25.638 42.589 24.515 1.00 19.37 C ATOM 0 H VAL A 84 24.998 45.447 23.632 1.00 15.85 H new ATOM 0 HA VAL A 84 25.453 43.341 21.980 1.00 22.06 H new ATOM 0 HB VAL A 84 23.724 43.306 24.340 1.00 15.13 H new ATOM 0 HG11 VAL A 84 23.383 40.975 24.209 1.00 14.88 H new ATOM 0 HG12 VAL A 84 22.762 41.683 22.935 1.00 14.88 H new ATOM 0 HG13 VAL A 84 24.150 40.928 22.823 1.00 14.88 H new ATOM 0 HG21 VAL A 84 25.460 42.048 25.300 1.00 19.37 H new ATOM 0 HG22 VAL A 84 26.260 42.122 23.935 1.00 19.37 H new ATOM 0 HG23 VAL A 84 26.024 43.436 24.787 1.00 19.37 H new ATOM 653 N VAL A 85 23.356 43.337 20.487 1.00 13.02 N ATOM 654 CA VAL A 85 22.139 43.375 19.622 1.00 16.50 C ATOM 655 C VAL A 85 20.967 42.239 19.933 1.00 17.06 C ATOM 656 O VAL A 85 21.117 41.020 19.811 1.00 23.08 O ATOM 657 CB VAL A 85 22.520 43.335 18.123 1.00 16.21 C ATOM 658 CG1 VAL A 85 21.329 43.318 17.110 1.00 20.06 C ATOM 659 CG2 VAL A 85 23.653 44.514 17.820 1.00 27.40 C ATOM 0 H VAL A 85 24.027 42.975 20.088 1.00 13.02 H new ATOM 0 HA VAL A 85 21.729 44.222 19.856 1.00 16.50 H new ATOM 0 HB VAL A 85 22.913 42.464 17.956 1.00 16.21 H new ATOM 0 HG11 VAL A 85 21.675 43.293 16.204 1.00 20.06 H new ATOM 0 HG12 VAL A 85 20.781 42.534 17.268 1.00 20.06 H new ATOM 0 HG13 VAL A 85 20.792 44.117 17.229 1.00 20.06 H new ATOM 0 HG21 VAL A 85 23.897 44.495 16.881 1.00 27.40 H new ATOM 0 HG22 VAL A 85 23.283 45.383 18.040 1.00 27.40 H new ATOM 0 HG23 VAL A 85 24.441 44.352 18.362 1.00 27.40 H new ATOM 660 N THR A 86 19.833 42.616 20.350 1.00 20.73 N ATOM 661 CA THR A 86 18.639 41.602 20.552 1.00 38.64 C ATOM 662 C THR A 86 18.058 41.071 19.218 1.00 26.97 C ATOM 663 O THR A 86 17.536 41.876 18.488 1.00 40.02 O ATOM 664 CB THR A 86 17.525 42.192 21.299 1.00 34.66 C ATOM 665 OG1 THR A 86 18.071 43.003 22.397 1.00 40.82 O ATOM 666 CG2 THR A 86 16.382 41.056 21.741 1.00 39.65 C ATOM 0 H THR A 86 19.642 43.431 20.547 1.00 20.73 H new ATOM 0 HA THR A 86 19.034 40.871 21.052 1.00 38.64 H new ATOM 0 HB THR A 86 17.018 42.793 20.731 1.00 34.66 H new ATOM 0 HG1 THR A 86 17.440 43.348 22.832 1.00 40.82 H new ATOM 0 HG21 THR A 86 15.666 41.490 22.231 1.00 39.65 H new ATOM 0 HG22 THR A 86 16.020 40.635 20.946 1.00 39.65 H new ATOM 0 HG23 THR A 86 16.796 40.382 22.303 1.00 39.65 H new ATOM 667 N ASP A 87 18.149 39.796 18.907 1.00 25.14 N ATOM 668 CA ASP A 87 17.469 39.201 17.706 1.00 24.02 C ATOM 669 C ASP A 87 16.282 38.070 17.943 1.00 35.59 C ATOM 670 O ASP A 87 15.831 37.870 19.122 1.00 30.42 O ATOM 671 CB ASP A 87 18.491 38.782 16.742 1.00 15.42 C ATOM 672 CG ASP A 87 19.060 37.580 17.310 1.00 43.80 C ATOM 673 OD1 ASP A 87 18.845 37.226 18.515 1.00 45.40 O ATOM 674 OD2 ASP A 87 19.950 37.109 16.648 1.00 42.92 O ATOM 0 H ASP A 87 18.600 39.228 19.369 1.00 25.14 H new ATOM 0 HA ASP A 87 16.925 39.920 17.349 1.00 24.02 H new ATOM 0 HB2 ASP A 87 18.103 38.610 15.870 1.00 15.42 H new ATOM 0 HB3 ASP A 87 19.165 39.469 16.622 1.00 15.42 H new ATOM 675 N ALA A 88 15.867 37.339 16.859 1.00 28.01 N ATOM 676 CA ALA A 88 14.727 36.212 16.964 1.00 44.26 C ATOM 677 C ALA A 88 14.972 35.045 17.866 1.00 39.27 C ATOM 678 O ALA A 88 14.114 34.630 18.732 1.00 39.31 O ATOM 679 CB ALA A 88 14.250 35.626 15.610 1.00 45.37 C ATOM 0 H ALA A 88 16.188 37.439 16.068 1.00 28.01 H new ATOM 0 HA ALA A 88 14.042 36.765 17.370 1.00 44.26 H new ATOM 0 HB1 ALA A 88 13.566 34.957 15.770 1.00 45.37 H new ATOM 0 HB2 ALA A 88 13.885 36.337 15.060 1.00 45.37 H new ATOM 0 HB3 ALA A 88 15.001 35.217 15.152 1.00 45.37 H new ATOM 680 N THR A 89 16.190 34.760 17.823 1.00 20.42 N ATOM 681 CA THR A 89 16.670 33.812 18.732 1.00 29.94 C ATOM 682 C THR A 89 16.582 34.167 20.210 1.00 34.77 C ATOM 683 O THR A 89 16.118 33.252 21.027 1.00 33.77 O ATOM 684 CB THR A 89 18.141 33.763 18.337 1.00 40.36 C ATOM 685 OG1 THR A 89 18.127 33.423 16.932 1.00 48.91 O ATOM 686 CG2 THR A 89 18.798 32.717 19.143 1.00 41.74 C ATOM 0 H THR A 89 16.768 35.095 17.282 1.00 20.42 H new ATOM 0 HA THR A 89 16.147 32.997 18.675 1.00 29.94 H new ATOM 0 HB THR A 89 18.622 34.592 18.488 1.00 40.36 H new ATOM 0 HG1 THR A 89 18.916 33.380 16.646 1.00 48.91 H new ATOM 0 HG21 THR A 89 19.738 32.669 18.907 1.00 41.74 H new ATOM 0 HG22 THR A 89 18.712 32.932 20.085 1.00 41.74 H new ATOM 0 HG23 THR A 89 18.377 31.861 18.968 1.00 41.74 H new ATOM 687 N LEU A 90 16.966 35.451 20.535 1.00 16.86 N ATOM 688 CA LEU A 90 17.062 35.759 21.948 1.00 13.98 C ATOM 689 C LEU A 90 15.662 35.875 22.450 1.00 28.54 C ATOM 690 O LEU A 90 15.328 35.554 23.634 1.00 22.70 O ATOM 691 CB LEU A 90 17.977 37.080 22.278 1.00 16.87 C ATOM 692 CG LEU A 90 19.479 37.053 21.921 1.00 34.73 C ATOM 693 CD1 LEU A 90 20.427 38.377 22.313 1.00 32.51 C ATOM 694 CD2 LEU A 90 20.019 35.787 22.419 1.00 31.31 C ATOM 0 H LEU A 90 17.154 36.085 19.985 1.00 16.86 H new ATOM 0 HA LEU A 90 17.535 35.050 22.411 1.00 13.98 H new ATOM 0 HB2 LEU A 90 17.579 37.835 21.817 1.00 16.87 H new ATOM 0 HB3 LEU A 90 17.904 37.257 23.229 1.00 16.87 H new ATOM 0 HG LEU A 90 19.524 37.121 20.954 1.00 34.73 H new ATOM 0 HD11 LEU A 90 21.341 38.216 22.029 1.00 32.51 H new ATOM 0 HD12 LEU A 90 20.084 39.165 21.864 1.00 32.51 H new ATOM 0 HD13 LEU A 90 20.407 38.517 23.273 1.00 32.51 H new ATOM 0 HD21 LEU A 90 20.965 35.735 22.212 1.00 31.31 H new ATOM 0 HD22 LEU A 90 19.896 35.738 23.380 1.00 31.31 H new ATOM 0 HD23 LEU A 90 19.554 35.048 21.996 1.00 31.31 H new ATOM 695 N LYS A 91 14.876 36.309 21.548 1.00 24.78 N ATOM 696 CA LYS A 91 13.445 36.304 21.950 1.00 38.05 C ATOM 697 C LYS A 91 12.698 34.843 22.158 1.00 34.51 C ATOM 698 O LYS A 91 11.868 34.515 23.081 1.00 36.16 O ATOM 699 CB LYS A 91 12.643 36.976 20.891 1.00 32.62 C ATOM 700 CG LYS A 91 13.264 38.424 20.491 1.00 25.81 C ATOM 701 CD LYS A 91 12.146 39.174 19.938 0.00 0.00 C ATOM 702 CE LYS A 91 12.655 40.679 19.657 0.00 0.00 C ATOM 703 NZ LYS A 91 13.695 40.812 18.610 0.00 0.00 N ATOM 0 H LYS A 91 15.077 36.594 20.762 1.00 24.78 H new ATOM 0 HA LYS A 91 13.473 36.738 22.817 1.00 38.05 H new ATOM 0 HB2 LYS A 91 12.608 36.410 20.104 1.00 32.62 H new ATOM 0 HB3 LYS A 91 11.730 37.089 21.199 1.00 32.62 H new ATOM 0 HG2 LYS A 91 13.638 38.872 21.266 1.00 25.81 H new ATOM 0 HG3 LYS A 91 13.980 38.332 19.843 1.00 25.81 H new ATOM 0 HD2 LYS A 91 11.833 38.762 19.118 0.00 0.00 H new ATOM 0 HD3 LYS A 91 11.399 39.177 20.557 0.00 0.00 H new ATOM 0 HE2 LYS A 91 11.891 41.221 19.404 0.00 0.00 H new ATOM 0 HE3 LYS A 91 13.002 41.047 20.485 0.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.917 41.669 18.519 0.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.414 40.343 18.844 0.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.379 40.504 17.837 0.00 0.00 H new ATOM 704 N ASN A 92 13.050 33.930 21.375 1.00 23.11 N ATOM 705 CA ASN A 92 12.469 32.522 21.527 1.00 15.47 C ATOM 706 C ASN A 92 13.037 31.906 22.744 1.00 15.96 C ATOM 707 O ASN A 92 12.195 31.269 23.540 1.00 28.19 O ATOM 708 CB ASN A 92 12.781 31.734 20.302 1.00 33.65 C ATOM 709 CG ASN A 92 12.083 30.287 20.588 1.00 57.45 C ATOM 710 OD1 ASN A 92 10.805 30.067 20.669 1.00 54.63 O ATOM 711 ND2 ASN A 92 12.892 29.492 21.129 1.00 52.86 N ATOM 0 H ASN A 92 13.613 34.026 20.732 1.00 23.11 H new ATOM 0 HA ASN A 92 11.504 32.548 21.624 1.00 15.47 H new ATOM 0 HB2 ASN A 92 12.419 32.154 19.506 1.00 33.65 H new ATOM 0 HB3 ASN A 92 13.738 31.648 20.167 1.00 33.65 H new ATOM 0 HD21 ASN A 92 12.600 28.803 21.552 1.00 52.86 H new ATOM 0 HD22 ASN A 92 13.738 29.637 21.076 1.00 52.86 H new ATOM 712 N LEU A 93 14.361 32.369 23.006 1.00 16.82 N ATOM 713 CA LEU A 93 14.979 32.049 24.290 1.00 15.25 C ATOM 714 C LEU A 93 14.255 32.443 25.519 1.00 17.08 C ATOM 715 O LEU A 93 14.029 31.607 26.460 1.00 22.13 O ATOM 716 CB LEU A 93 16.476 32.645 24.516 1.00 17.26 C ATOM 717 CG LEU A 93 17.464 31.801 23.927 1.00 31.64 C ATOM 718 CD1 LEU A 93 18.899 32.408 24.400 1.00 34.23 C ATOM 719 CD2 LEU A 93 17.088 30.299 24.333 1.00 37.19 C ATOM 0 H LEU A 93 14.843 32.832 22.464 1.00 16.82 H new ATOM 0 HA LEU A 93 14.970 31.084 24.188 1.00 15.25 H new ATOM 0 HB2 LEU A 93 16.535 33.533 24.130 1.00 17.26 H new ATOM 0 HB3 LEU A 93 16.650 32.736 25.466 1.00 17.26 H new ATOM 0 HG LEU A 93 17.511 31.775 22.958 1.00 31.64 H new ATOM 0 HD11 LEU A 93 19.616 31.871 24.028 1.00 34.23 H new ATOM 0 HD12 LEU A 93 18.983 33.322 24.086 1.00 34.23 H new ATOM 0 HD13 LEU A 93 18.954 32.393 25.368 1.00 34.23 H new ATOM 0 HD21 LEU A 93 17.738 29.688 23.951 1.00 37.19 H new ATOM 0 HD22 LEU A 93 17.093 30.214 25.299 1.00 37.19 H new ATOM 0 HD23 LEU A 93 16.205 30.084 23.995 1.00 37.19 H new ATOM 720 N GLY A 94 13.847 33.640 25.481 1.00 25.17 N ATOM 721 CA GLY A 94 13.072 34.106 26.598 1.00 17.51 C ATOM 722 C GLY A 94 11.700 33.227 26.867 1.00 19.39 C ATOM 723 O GLY A 94 11.300 32.925 28.042 1.00 23.04 O ATOM 0 H GLY A 94 13.989 34.206 24.849 1.00 25.17 H new ATOM 0 HA2 GLY A 94 13.623 34.083 27.396 1.00 17.51 H new ATOM 0 HA3 GLY A 94 12.829 35.033 26.448 1.00 17.51 H new ATOM 724 N SER A 95 11.042 32.757 25.795 1.00 26.82 N ATOM 725 CA SER A 95 9.742 31.851 25.889 1.00 28.35 C ATOM 726 C SER A 95 9.945 30.495 26.505 1.00 22.52 C ATOM 727 O SER A 95 9.173 29.998 27.421 1.00 29.33 O ATOM 728 CB SER A 95 9.161 31.644 24.452 1.00 24.03 C ATOM 729 OG SER A 95 8.015 30.606 24.497 1.00 50.49 O ATOM 0 H SER A 95 11.288 32.920 24.987 1.00 26.82 H new ATOM 0 HA SER A 95 9.139 32.331 26.478 1.00 28.35 H new ATOM 0 HB2 SER A 95 8.832 32.487 24.102 1.00 24.03 H new ATOM 0 HB3 SER A 95 9.860 31.341 23.852 1.00 24.03 H new ATOM 0 HG SER A 95 7.704 30.498 23.724 1.00 50.49 H new ATOM 730 N VAL A 96 10.948 29.919 26.004 1.00 19.55 N ATOM 731 CA VAL A 96 11.231 28.598 26.507 1.00 10.87 C ATOM 732 C VAL A 96 11.588 28.610 27.985 1.00 28.26 C ATOM 733 O VAL A 96 11.033 27.647 28.717 1.00 27.79 O ATOM 734 CB VAL A 96 12.168 27.882 25.587 1.00 16.71 C ATOM 735 CG1 VAL A 96 13.307 28.855 24.947 1.00 46.61 C ATOM 736 CG2 VAL A 96 12.812 26.765 26.333 1.00 33.00 C ATOM 0 H VAL A 96 11.475 30.230 25.400 1.00 19.55 H new ATOM 0 HA VAL A 96 10.425 28.058 26.497 1.00 10.87 H new ATOM 0 HB VAL A 96 11.647 27.546 24.841 1.00 16.71 H new ATOM 0 HG11 VAL A 96 13.883 28.338 24.362 1.00 46.61 H new ATOM 0 HG12 VAL A 96 12.880 29.562 24.438 1.00 46.61 H new ATOM 0 HG13 VAL A 96 13.837 29.245 25.659 1.00 46.61 H new ATOM 0 HG21 VAL A 96 13.423 26.293 25.746 1.00 33.00 H new ATOM 0 HG22 VAL A 96 13.303 27.122 27.090 1.00 33.00 H new ATOM 0 HG23 VAL A 96 12.130 26.152 26.650 1.00 33.00 H new ATOM 737 N HIS A 97 12.239 29.764 28.476 1.00 12.08 N ATOM 738 CA HIS A 97 12.575 29.786 29.928 1.00 9.02 C ATOM 739 C HIS A 97 11.401 29.986 30.809 1.00 13.07 C ATOM 740 O HIS A 97 11.225 29.334 31.882 1.00 23.05 O ATOM 741 CB HIS A 97 13.752 30.913 30.261 1.00 15.17 C ATOM 742 CG HIS A 97 15.099 30.568 29.723 1.00 18.61 C ATOM 743 ND1 HIS A 97 15.642 31.054 28.507 1.00 24.20 N ATOM 744 CD2 HIS A 97 15.907 29.780 30.241 1.00 13.33 C ATOM 745 CE1 HIS A 97 16.809 30.547 28.268 1.00 18.40 C ATOM 746 NE2 HIS A 97 16.996 29.751 29.354 1.00 8.02 N ATOM 0 H HIS A 97 12.461 30.457 28.018 1.00 12.08 H new ATOM 0 HA HIS A 97 12.919 28.901 30.127 1.00 9.02 H new ATOM 0 HB2 HIS A 97 13.479 31.769 29.896 1.00 15.17 H new ATOM 0 HB3 HIS A 97 13.817 31.023 31.223 1.00 15.17 H new ATOM 0 HD1 HIS A 97 15.245 31.616 27.992 1.00 24.20 H new ATOM 0 HD2 HIS A 97 15.812 29.313 31.039 1.00 13.33 H new ATOM 0 HE1 HIS A 97 17.373 30.690 27.542 1.00 18.40 H new ATOM 747 N VAL A 98 10.545 30.739 30.292 1.00 17.39 N ATOM 748 CA VAL A 98 9.294 30.783 31.038 1.00 9.27 C ATOM 749 C VAL A 98 8.470 29.347 31.118 1.00 19.42 C ATOM 750 O VAL A 98 8.009 28.863 32.213 1.00 25.08 O ATOM 751 CB VAL A 98 8.482 31.834 30.413 1.00 15.01 C ATOM 752 CG1 VAL A 98 7.183 31.902 31.197 1.00 26.40 C ATOM 753 CG2 VAL A 98 9.245 33.274 30.565 1.00 4.89 C ATOM 0 H VAL A 98 10.613 31.212 29.577 1.00 17.39 H new ATOM 0 HA VAL A 98 9.495 30.972 31.968 1.00 9.27 H new ATOM 0 HB VAL A 98 8.333 31.645 29.473 1.00 15.01 H new ATOM 0 HG11 VAL A 98 6.611 32.587 30.817 1.00 26.40 H new ATOM 0 HG12 VAL A 98 6.732 31.044 31.152 1.00 26.40 H new ATOM 0 HG13 VAL A 98 7.375 32.118 32.123 1.00 26.40 H new ATOM 0 HG21 VAL A 98 8.709 33.969 30.152 1.00 4.89 H new ATOM 0 HG22 VAL A 98 9.369 33.477 31.505 1.00 4.89 H new ATOM 0 HG23 VAL A 98 10.110 33.230 30.128 1.00 4.89 H new ATOM 754 N SER A 99 8.341 28.646 30.014 1.00 18.85 N ATOM 755 CA SER A 99 7.602 27.237 29.969 1.00 26.52 C ATOM 756 C SER A 99 8.140 26.300 30.954 1.00 31.44 C ATOM 757 O SER A 99 7.338 25.346 31.442 1.00 35.00 O ATOM 758 CB SER A 99 7.702 26.572 28.593 1.00 15.07 C ATOM 759 OG SER A 99 7.149 27.405 27.638 1.00 52.90 O ATOM 0 H SER A 99 8.646 28.903 29.252 1.00 18.85 H new ATOM 0 HA SER A 99 6.674 27.433 30.172 1.00 26.52 H new ATOM 0 HB2 SER A 99 8.630 26.389 28.378 1.00 15.07 H new ATOM 0 HB3 SER A 99 7.239 25.720 28.600 1.00 15.07 H new ATOM 0 HG SER A 99 7.205 27.042 26.883 1.00 52.90 H new ATOM 760 N LYS A 100 9.445 26.533 31.185 1.00 23.26 N ATOM 761 CA LYS A 100 10.128 25.623 31.998 1.00 14.97 C ATOM 762 C LYS A 100 10.145 25.950 33.485 1.00 16.04 C ATOM 763 O LYS A 100 10.712 25.270 34.299 1.00 31.32 O ATOM 764 CB LYS A 100 11.608 25.652 31.477 1.00 21.44 C ATOM 765 CG LYS A 100 11.629 24.884 30.153 1.00 30.85 C ATOM 766 CD LYS A 100 11.040 23.371 30.299 1.00 45.00 C ATOM 767 CE LYS A 100 11.209 22.580 29.007 1.00 40.69 C ATOM 768 NZ LYS A 100 10.684 21.137 29.174 0.00 0.00 N ATOM 0 H LYS A 100 9.904 27.193 30.879 1.00 23.26 H new ATOM 0 HA LYS A 100 9.677 24.767 31.937 1.00 14.97 H new ATOM 0 HB2 LYS A 100 11.909 26.565 31.349 1.00 21.44 H new ATOM 0 HB3 LYS A 100 12.207 25.243 32.121 1.00 21.44 H new ATOM 0 HG2 LYS A 100 11.108 25.368 29.493 1.00 30.85 H new ATOM 0 HG3 LYS A 100 12.539 24.843 29.821 1.00 30.85 H new ATOM 0 HD2 LYS A 100 11.496 22.913 31.022 1.00 45.00 H new ATOM 0 HD3 LYS A 100 10.100 23.410 30.536 1.00 45.00 H new ATOM 0 HE2 LYS A 100 10.731 23.021 28.288 1.00 40.69 H new ATOM 0 HE3 LYS A 100 12.145 22.561 28.755 1.00 40.69 H new ATOM 0 HZ1 LYS A 100 10.791 20.692 28.411 0.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.138 20.729 29.821 0.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.820 21.158 29.386 0.00 0.00 H new ATOM 769 N GLY A 101 9.563 26.971 33.855 1.00 19.91 N ATOM 770 CA GLY A 101 9.604 27.323 35.277 1.00 15.12 C ATOM 771 C GLY A 101 10.897 28.185 35.787 1.00 24.70 C ATOM 772 O GLY A 101 11.097 28.295 37.031 1.00 21.25 O ATOM 0 H GLY A 101 9.125 27.509 33.347 1.00 19.91 H new ATOM 0 HA2 GLY A 101 8.803 27.828 35.487 1.00 15.12 H new ATOM 0 HA3 GLY A 101 9.565 26.502 35.793 1.00 15.12 H new ATOM 773 N VAL A 102 11.690 28.866 34.860 1.00 20.44 N ATOM 774 CA VAL A 102 12.964 29.741 35.221 1.00 11.09 C ATOM 775 C VAL A 102 12.710 31.141 35.667 1.00 19.12 C ATOM 776 O VAL A 102 11.956 31.706 34.952 1.00 24.51 O ATOM 777 CB VAL A 102 13.946 29.836 34.037 1.00 16.79 C ATOM 778 CG1 VAL A 102 15.291 30.778 34.354 1.00 13.70 C ATOM 779 CG2 VAL A 102 14.211 28.413 33.644 1.00 11.64 C ATOM 0 H VAL A 102 11.526 28.848 34.016 1.00 20.44 H new ATOM 0 HA VAL A 102 13.328 29.254 35.977 1.00 11.09 H new ATOM 0 HB VAL A 102 13.574 30.320 33.283 1.00 16.79 H new ATOM 0 HG11 VAL A 102 15.865 30.796 33.572 1.00 13.70 H new ATOM 0 HG12 VAL A 102 15.010 31.681 34.569 1.00 13.70 H new ATOM 0 HG13 VAL A 102 15.779 30.404 35.104 1.00 13.70 H new ATOM 0 HG21 VAL A 102 14.828 28.393 32.896 1.00 11.64 H new ATOM 0 HG22 VAL A 102 14.598 27.937 34.395 1.00 11.64 H new ATOM 0 HG23 VAL A 102 13.378 27.988 33.387 1.00 11.64 H new ATOM 780 N ALA A 103 13.270 31.723 36.761 1.00 17.19 N ATOM 781 CA ALA A 103 13.112 33.097 37.157 1.00 3.00 C ATOM 782 C ALA A 103 14.491 33.978 37.129 1.00 12.11 C ATOM 783 O ALA A 103 15.558 33.488 36.973 1.00 11.35 O ATOM 784 CB ALA A 103 12.565 33.063 38.581 1.00 7.45 C ATOM 0 H ALA A 103 13.773 31.282 37.302 1.00 17.19 H new ATOM 0 HA ALA A 103 12.523 33.533 36.521 1.00 3.00 H new ATOM 0 HB1 ALA A 103 12.438 33.970 38.901 1.00 7.45 H new ATOM 0 HB2 ALA A 103 11.715 32.596 38.590 1.00 7.45 H new ATOM 0 HB3 ALA A 103 13.193 32.602 39.158 1.00 7.45 H new ATOM 785 N ASP A 104 14.467 35.255 37.266 1.00 13.09 N ATOM 786 CA ASP A 104 15.714 36.206 37.315 1.00 9.85 C ATOM 787 C ASP A 104 16.692 35.897 38.392 1.00 17.47 C ATOM 788 O ASP A 104 17.927 36.308 38.239 1.00 20.16 O ATOM 789 CB ASP A 104 15.324 37.568 37.730 1.00 15.48 C ATOM 790 CG ASP A 104 14.502 38.098 36.621 1.00 33.58 C ATOM 791 OD1 ASP A 104 14.307 39.306 36.623 1.00 45.38 O ATOM 792 OD2 ASP A 104 14.367 37.490 35.539 1.00 44.39 O ATOM 0 H ASP A 104 13.727 35.686 37.343 1.00 13.09 H new ATOM 0 HA ASP A 104 16.082 36.106 36.423 1.00 9.85 H new ATOM 0 HB2 ASP A 104 14.822 37.550 38.560 1.00 15.48 H new ATOM 0 HB3 ASP A 104 16.104 38.124 37.883 1.00 15.48 H new ATOM 793 N ALA A 105 16.206 35.324 39.515 1.00 11.49 N ATOM 794 CA ALA A 105 17.170 35.127 40.627 1.00 13.10 C ATOM 795 C ALA A 105 17.886 33.908 40.351 1.00 11.29 C ATOM 796 O ALA A 105 18.898 33.763 41.035 1.00 17.85 O ATOM 797 CB ALA A 105 16.502 34.966 42.021 1.00 4.58 C ATOM 0 H ALA A 105 15.398 35.063 39.650 1.00 11.49 H new ATOM 0 HA ALA A 105 17.732 35.916 40.669 1.00 13.10 H new ATOM 0 HB1 ALA A 105 17.187 34.842 42.696 1.00 4.58 H new ATOM 0 HB2 ALA A 105 15.986 35.761 42.227 1.00 4.58 H new ATOM 0 HB3 ALA A 105 15.915 34.194 42.011 1.00 4.58 H new ATOM 798 N HIS A 106 17.491 33.184 39.244 1.00 15.55 N ATOM 799 CA HIS A 106 18.214 32.085 38.796 1.00 15.21 C ATOM 800 C HIS A 106 19.573 32.601 38.162 1.00 20.42 C ATOM 801 O HIS A 106 20.504 31.891 38.193 1.00 21.99 O ATOM 802 CB HIS A 106 17.377 31.154 37.778 1.00 5.00 C ATOM 803 CG HIS A 106 16.355 30.060 38.468 1.00 12.37 C ATOM 804 ND1 HIS A 106 14.969 29.977 38.219 1.00 17.57 N ATOM 805 CD2 HIS A 106 16.541 29.024 39.275 1.00 21.99 C ATOM 806 CE1 HIS A 106 14.259 28.844 38.904 1.00 16.61 C ATOM 807 NE2 HIS A 106 15.268 28.258 39.575 1.00 17.66 N ATOM 0 H HIS A 106 16.792 33.364 38.777 1.00 15.55 H new ATOM 0 HA HIS A 106 18.408 31.509 39.552 1.00 15.21 H new ATOM 0 HB2 HIS A 106 16.859 31.730 37.194 1.00 5.00 H new ATOM 0 HB3 HIS A 106 18.006 30.673 37.217 1.00 5.00 H new ATOM 0 HD2 HIS A 106 17.371 28.790 39.623 1.00 21.99 H new ATOM 0 HE1 HIS A 106 13.360 28.609 38.873 1.00 16.61 H new ATOM 0 HE2 HIS A 106 15.202 27.569 40.085 1.00 17.66 H new ATOM 808 N PHE A 107 19.607 33.733 37.483 1.00 15.92 N ATOM 809 CA PHE A 107 20.772 34.355 36.647 1.00 22.89 C ATOM 810 C PHE A 107 22.179 34.541 37.286 1.00 9.80 C ATOM 811 O PHE A 107 23.158 34.249 36.639 1.00 11.13 O ATOM 812 CB PHE A 107 20.509 35.614 35.811 1.00 22.22 C ATOM 813 CG PHE A 107 19.526 35.283 34.621 1.00 15.38 C ATOM 814 CD1 PHE A 107 18.135 35.064 34.826 1.00 16.84 C ATOM 815 CD2 PHE A 107 20.038 35.149 33.348 1.00 13.74 C ATOM 816 CE1 PHE A 107 17.237 34.662 33.751 1.00 18.43 C ATOM 817 CE2 PHE A 107 19.162 34.738 32.269 1.00 14.15 C ATOM 818 CZ PHE A 107 17.740 34.480 32.466 1.00 4.71 C ATOM 0 H PHE A 107 18.914 34.242 37.464 1.00 15.92 H new ATOM 0 HA PHE A 107 20.790 33.575 36.071 1.00 22.89 H new ATOM 0 HB2 PHE A 107 20.127 36.308 36.371 1.00 22.22 H new ATOM 0 HB3 PHE A 107 21.346 35.959 35.462 1.00 22.22 H new ATOM 0 HD1 PHE A 107 17.785 35.182 35.680 1.00 16.84 H new ATOM 0 HD2 PHE A 107 20.937 35.321 33.183 1.00 13.74 H new ATOM 0 HE1 PHE A 107 16.333 34.528 33.923 1.00 18.43 H new ATOM 0 HE2 PHE A 107 19.521 34.635 31.417 1.00 14.15 H new ATOM 0 HZ PHE A 107 17.194 34.206 31.765 1.00 4.71 H new ATOM 819 N PRO A 108 22.327 34.885 38.547 1.00 13.39 N ATOM 820 CA PRO A 108 23.677 34.991 39.173 1.00 8.82 C ATOM 821 C PRO A 108 24.106 33.594 39.376 1.00 21.11 C ATOM 822 O PRO A 108 25.346 33.508 39.436 1.00 11.00 O ATOM 823 CB PRO A 108 23.545 35.704 40.547 1.00 16.95 C ATOM 824 CG PRO A 108 22.244 36.335 40.482 1.00 5.47 C ATOM 825 CD PRO A 108 21.376 35.537 39.386 1.00 5.04 C ATOM 0 HA PRO A 108 24.306 35.494 38.631 1.00 8.82 H new ATOM 0 HB2 PRO A 108 23.599 35.074 41.282 1.00 16.95 H new ATOM 0 HB3 PRO A 108 24.251 36.356 40.680 1.00 16.95 H new ATOM 0 HG2 PRO A 108 21.808 36.309 41.348 1.00 5.47 H new ATOM 0 HG3 PRO A 108 22.329 37.269 40.236 1.00 5.47 H new ATOM 0 HD2 PRO A 108 20.785 34.894 39.809 1.00 5.04 H new ATOM 0 HD3 PRO A 108 20.817 36.143 38.875 1.00 5.04 H new ATOM 826 N VAL A 109 23.112 32.519 39.397 1.00 8.28 N ATOM 827 CA VAL A 109 23.462 31.146 39.498 1.00 3.51 C ATOM 828 C VAL A 109 24.201 30.718 38.289 1.00 9.35 C ATOM 829 O VAL A 109 25.333 30.317 38.425 1.00 15.77 O ATOM 830 CB VAL A 109 22.179 30.114 39.643 1.00 17.33 C ATOM 831 CG1 VAL A 109 22.581 28.698 39.541 1.00 14.43 C ATOM 832 CG2 VAL A 109 21.506 30.371 40.987 1.00 7.51 C ATOM 0 H VAL A 109 22.265 32.659 39.350 1.00 8.28 H new ATOM 0 HA VAL A 109 23.992 31.092 40.309 1.00 3.51 H new ATOM 0 HB VAL A 109 21.565 30.283 38.911 1.00 17.33 H new ATOM 0 HG11 VAL A 109 21.799 28.132 39.632 1.00 14.43 H new ATOM 0 HG12 VAL A 109 22.996 28.540 38.678 1.00 14.43 H new ATOM 0 HG13 VAL A 109 23.214 28.489 40.246 1.00 14.43 H new ATOM 0 HG21 VAL A 109 20.749 29.773 41.090 1.00 7.51 H new ATOM 0 HG22 VAL A 109 22.141 30.213 41.703 1.00 7.51 H new ATOM 0 HG23 VAL A 109 21.199 31.290 41.025 1.00 7.51 H new ATOM 833 N VAL A 110 23.614 30.903 37.140 1.00 8.97 N ATOM 834 CA VAL A 110 24.287 30.628 35.867 1.00 14.80 C ATOM 835 C VAL A 110 25.604 31.609 35.583 1.00 12.13 C ATOM 836 O VAL A 110 26.679 31.229 35.182 1.00 10.11 O ATOM 837 CB VAL A 110 23.289 30.472 34.649 1.00 16.03 C ATOM 838 CG1 VAL A 110 24.018 30.386 33.278 1.00 12.84 C ATOM 839 CG2 VAL A 110 22.144 29.246 34.741 1.00 4.71 C ATOM 0 H VAL A 110 22.809 31.193 37.057 1.00 8.97 H new ATOM 0 HA VAL A 110 24.677 29.745 35.961 1.00 14.80 H new ATOM 0 HB VAL A 110 22.786 31.298 34.718 1.00 16.03 H new ATOM 0 HG11 VAL A 110 23.363 30.292 32.569 1.00 12.84 H new ATOM 0 HG12 VAL A 110 24.535 31.194 33.135 1.00 12.84 H new ATOM 0 HG13 VAL A 110 24.611 29.618 33.274 1.00 12.84 H new ATOM 0 HG21 VAL A 110 21.596 29.254 33.940 1.00 4.71 H new ATOM 0 HG22 VAL A 110 22.592 28.389 34.818 1.00 4.71 H new ATOM 0 HG23 VAL A 110 21.581 29.386 35.518 1.00 4.71 H new ATOM 840 N LYS A 111 25.682 32.791 36.137 1.00 11.85 N ATOM 841 CA LYS A 111 26.941 33.752 36.000 1.00 5.51 C ATOM 842 C LYS A 111 28.138 33.335 36.722 1.00 7.57 C ATOM 843 O LYS A 111 29.214 33.230 36.086 1.00 8.65 O ATOM 844 CB LYS A 111 26.693 35.168 36.489 1.00 4.78 C ATOM 845 CG LYS A 111 27.953 36.253 36.416 1.00 24.40 C ATOM 846 CD LYS A 111 27.480 37.586 36.850 1.00 17.21 C ATOM 847 CE LYS A 111 28.580 38.779 36.888 1.00 23.05 C ATOM 848 NZ LYS A 111 27.831 39.897 37.180 1.00 30.86 N ATOM 0 H LYS A 111 25.049 33.124 36.615 1.00 11.85 H new ATOM 0 HA LYS A 111 27.084 33.707 35.042 1.00 5.51 H new ATOM 0 HB2 LYS A 111 25.956 35.534 35.976 1.00 4.78 H new ATOM 0 HB3 LYS A 111 26.399 35.116 37.412 1.00 4.78 H new ATOM 0 HG2 LYS A 111 28.681 35.957 36.984 1.00 24.40 H new ATOM 0 HG3 LYS A 111 28.300 36.301 35.511 1.00 24.40 H new ATOM 0 HD2 LYS A 111 26.760 37.858 36.259 1.00 17.21 H new ATOM 0 HD3 LYS A 111 27.100 37.497 37.738 1.00 17.21 H new ATOM 0 HE2 LYS A 111 29.259 38.618 37.562 1.00 23.05 H new ATOM 0 HE3 LYS A 111 29.039 38.869 36.038 1.00 23.05 H new ATOM 0 HZ1 LYS A 111 28.373 40.589 37.321 1.00 30.86 H new ATOM 0 HZ2 LYS A 111 27.290 40.078 36.497 1.00 30.86 H new ATOM 0 HZ3 LYS A 111 27.346 39.747 37.911 1.00 30.86 H new ATOM 849 N GLU A 112 27.935 33.048 37.974 1.00 9.88 N ATOM 850 CA GLU A 112 29.033 32.582 38.716 1.00 13.80 C ATOM 851 C GLU A 112 29.473 31.317 38.150 1.00 7.90 C ATOM 852 O GLU A 112 30.709 31.236 38.058 1.00 12.49 O ATOM 853 CB GLU A 112 28.735 32.450 40.219 1.00 8.39 C ATOM 854 CG GLU A 112 28.467 33.823 40.832 1.00 21.02 C ATOM 855 CD GLU A 112 29.707 34.922 40.683 1.00 35.06 C ATOM 856 OE1 GLU A 112 30.835 34.702 41.110 1.00 20.79 O ATOM 857 OE2 GLU A 112 29.589 36.068 40.192 1.00 19.16 O ATOM 0 H GLU A 112 27.189 33.116 38.396 1.00 9.88 H new ATOM 0 HA GLU A 112 29.743 33.240 38.653 1.00 13.80 H new ATOM 0 HB2 GLU A 112 27.966 31.874 40.353 1.00 8.39 H new ATOM 0 HB3 GLU A 112 29.485 32.030 40.668 1.00 8.39 H new ATOM 0 HG2 GLU A 112 27.673 34.196 40.419 1.00 21.02 H new ATOM 0 HG3 GLU A 112 28.269 33.707 41.774 1.00 21.02 H new ATOM 858 N ALA A 113 28.499 30.462 37.628 1.00 11.79 N ATOM 859 CA ALA A 113 28.831 29.146 37.211 1.00 4.79 C ATOM 860 C ALA A 113 29.659 29.364 35.957 1.00 3.00 C ATOM 861 O ALA A 113 30.598 28.687 35.804 1.00 9.94 O ATOM 862 CB ALA A 113 27.476 28.156 36.980 1.00 7.13 C ATOM 0 H ALA A 113 27.671 30.672 37.531 1.00 11.79 H new ATOM 0 HA ALA A 113 29.324 28.655 37.886 1.00 4.79 H new ATOM 0 HB1 ALA A 113 27.764 27.274 36.697 1.00 7.13 H new ATOM 0 HB2 ALA A 113 26.983 28.083 37.812 1.00 7.13 H new ATOM 0 HB3 ALA A 113 26.905 28.543 36.298 1.00 7.13 H new ATOM 863 N ILE A 114 29.375 30.355 35.158 1.00 11.68 N ATOM 864 CA ILE A 114 30.159 30.633 33.902 1.00 7.19 C ATOM 865 C ILE A 114 31.598 31.345 34.211 1.00 11.99 C ATOM 866 O ILE A 114 32.619 31.024 33.631 1.00 11.73 O ATOM 867 CB ILE A 114 29.468 31.548 32.927 1.00 8.54 C ATOM 868 CG1 ILE A 114 28.189 30.750 32.309 1.00 3.90 C ATOM 869 CG2 ILE A 114 30.440 32.203 31.819 1.00 7.81 C ATOM 870 CD1 ILE A 114 27.510 31.625 31.342 1.00 7.47 C ATOM 0 H ILE A 114 28.729 30.906 35.296 1.00 11.68 H new ATOM 0 HA ILE A 114 30.261 29.749 33.516 1.00 7.19 H new ATOM 0 HB ILE A 114 29.154 32.333 33.402 1.00 8.54 H new ATOM 0 HG12 ILE A 114 28.480 29.932 31.876 1.00 3.90 H new ATOM 0 HG13 ILE A 114 27.578 30.494 33.018 1.00 3.90 H new ATOM 0 HG21 ILE A 114 29.922 32.776 31.232 1.00 7.81 H new ATOM 0 HG22 ILE A 114 31.126 32.728 32.260 1.00 7.81 H new ATOM 0 HG23 ILE A 114 30.857 31.499 31.298 1.00 7.81 H new ATOM 0 HD11 ILE A 114 26.746 31.161 30.966 1.00 7.47 H new ATOM 0 HD12 ILE A 114 27.210 32.431 31.790 1.00 7.47 H new ATOM 0 HD13 ILE A 114 28.126 31.861 30.631 1.00 7.47 H new ATOM 871 N LEU A 115 31.710 32.221 35.221 1.00 11.88 N ATOM 872 CA LEU A 115 33.052 32.966 35.573 1.00 11.89 C ATOM 873 C LEU A 115 33.912 32.009 36.205 1.00 5.56 C ATOM 874 O LEU A 115 35.114 32.059 35.853 1.00 16.57 O ATOM 875 CB LEU A 115 32.930 34.160 36.539 1.00 10.23 C ATOM 876 CG LEU A 115 32.303 35.340 35.873 1.00 16.19 C ATOM 877 CD1 LEU A 115 32.087 36.403 36.906 1.00 12.68 C ATOM 878 CD2 LEU A 115 33.159 36.068 34.703 1.00 6.62 C ATOM 0 H LEU A 115 31.055 32.429 35.738 1.00 11.88 H new ATOM 0 HA LEU A 115 33.381 33.329 34.736 1.00 11.89 H new ATOM 0 HB2 LEU A 115 32.400 33.902 37.309 1.00 10.23 H new ATOM 0 HB3 LEU A 115 33.810 34.402 36.869 1.00 10.23 H new ATOM 0 HG LEU A 115 31.505 34.974 35.461 1.00 16.19 H new ATOM 0 HD11 LEU A 115 31.679 37.179 36.491 1.00 12.68 H new ATOM 0 HD12 LEU A 115 31.502 36.064 37.602 1.00 12.68 H new ATOM 0 HD13 LEU A 115 32.939 36.655 37.295 1.00 12.68 H new ATOM 0 HD21 LEU A 115 32.652 36.815 34.348 1.00 6.62 H new ATOM 0 HD22 LEU A 115 33.997 36.391 35.068 1.00 6.62 H new ATOM 0 HD23 LEU A 115 33.340 35.434 33.992 1.00 6.62 H new ATOM 879 N LYS A 116 33.284 31.095 37.040 1.00 8.70 N ATOM 880 CA LYS A 116 34.062 30.107 37.625 1.00 5.54 C ATOM 881 C LYS A 116 34.495 29.128 36.574 1.00 6.41 C ATOM 882 O LYS A 116 35.696 28.888 36.560 1.00 14.73 O ATOM 883 CB LYS A 116 33.236 29.299 38.731 1.00 7.23 C ATOM 884 CG LYS A 116 33.165 30.151 40.010 1.00 45.14 C ATOM 885 CD LYS A 116 32.204 29.424 41.093 1.00 48.36 C ATOM 886 CE LYS A 116 32.077 30.327 42.337 1.00 50.44 C ATOM 887 NZ LYS A 116 31.901 31.729 41.961 1.00 60.14 N ATOM 0 H LYS A 116 32.446 31.082 37.233 1.00 8.70 H new ATOM 0 HA LYS A 116 34.825 30.538 38.042 1.00 5.54 H new ATOM 0 HB2 LYS A 116 32.343 29.102 38.407 1.00 7.23 H new ATOM 0 HB3 LYS A 116 33.664 28.449 38.916 1.00 7.23 H new ATOM 0 HG2 LYS A 116 34.054 30.270 40.380 1.00 45.14 H new ATOM 0 HG3 LYS A 116 32.824 31.035 39.803 1.00 45.14 H new ATOM 0 HD2 LYS A 116 31.329 29.259 40.708 1.00 48.36 H new ATOM 0 HD3 LYS A 116 32.571 28.561 41.341 1.00 48.36 H new ATOM 0 HE2 LYS A 116 31.323 30.037 42.874 1.00 50.44 H new ATOM 0 HE3 LYS A 116 32.870 30.235 42.888 1.00 50.44 H new ATOM 0 HZ1 LYS A 116 31.407 32.142 42.576 1.00 60.14 H new ATOM 0 HZ2 LYS A 116 32.697 32.124 41.906 1.00 60.14 H new ATOM 0 HZ3 LYS A 116 31.492 31.776 41.172 1.00 60.14 H new ATOM 888 N THR A 117 33.603 28.692 35.645 1.00 10.75 N ATOM 889 CA THR A 117 33.878 27.818 34.540 1.00 3.67 C ATOM 890 C THR A 117 35.086 28.488 33.717 1.00 12.37 C ATOM 891 O THR A 117 36.067 27.883 33.487 1.00 21.62 O ATOM 892 CB THR A 117 32.642 27.352 33.630 1.00 12.80 C ATOM 893 OG1 THR A 117 31.585 26.574 34.368 1.00 10.32 O ATOM 894 CG2 THR A 117 32.992 26.537 32.371 1.00 8.11 C ATOM 0 H THR A 117 32.777 28.930 35.671 1.00 10.75 H new ATOM 0 HA THR A 117 34.126 26.954 34.904 1.00 3.67 H new ATOM 0 HB THR A 117 32.303 28.218 33.355 1.00 12.80 H new ATOM 0 HG1 THR A 117 31.164 27.089 34.881 1.00 10.32 H new ATOM 0 HG21 THR A 117 32.177 26.308 31.897 1.00 8.11 H new ATOM 0 HG22 THR A 117 33.565 27.064 31.793 1.00 8.11 H new ATOM 0 HG23 THR A 117 33.454 25.724 32.629 1.00 8.11 H new ATOM 895 N ILE A 118 35.031 29.709 33.259 1.00 15.01 N ATOM 896 CA ILE A 118 36.163 30.400 32.470 1.00 9.37 C ATOM 897 C ILE A 118 37.462 30.649 33.307 1.00 13.28 C ATOM 898 O ILE A 118 38.580 30.474 32.820 1.00 13.37 O ATOM 899 CB ILE A 118 35.808 31.754 31.978 1.00 14.31 C ATOM 900 CG1 ILE A 118 34.713 31.510 30.877 1.00 16.78 C ATOM 901 CG2 ILE A 118 37.077 32.675 31.490 1.00 11.85 C ATOM 902 CD1 ILE A 118 35.166 30.790 29.614 1.00 12.77 C ATOM 0 H ILE A 118 34.344 30.214 33.372 1.00 15.01 H new ATOM 0 HA ILE A 118 36.308 29.769 31.748 1.00 9.37 H new ATOM 0 HB ILE A 118 35.466 32.304 32.700 1.00 14.31 H new ATOM 0 HG12 ILE A 118 33.991 30.999 31.275 1.00 16.78 H new ATOM 0 HG13 ILE A 118 34.344 32.370 30.620 1.00 16.78 H new ATOM 0 HG21 ILE A 118 36.753 33.538 31.186 1.00 11.85 H new ATOM 0 HG22 ILE A 118 37.689 32.803 32.232 1.00 11.85 H new ATOM 0 HG23 ILE A 118 37.540 32.230 30.763 1.00 11.85 H new ATOM 0 HD11 ILE A 118 34.414 30.694 29.009 1.00 12.77 H new ATOM 0 HD12 ILE A 118 35.866 31.304 29.181 1.00 12.77 H new ATOM 0 HD13 ILE A 118 35.507 29.912 29.846 1.00 12.77 H new ATOM 903 N LYS A 119 37.306 30.713 34.609 1.00 12.84 N ATOM 904 CA LYS A 119 38.529 30.865 35.434 1.00 13.32 C ATOM 905 C LYS A 119 39.214 29.614 35.461 1.00 10.31 C ATOM 906 O LYS A 119 40.474 29.713 35.277 1.00 13.50 O ATOM 907 CB LYS A 119 38.250 31.279 36.877 1.00 23.06 C ATOM 908 CG LYS A 119 39.597 31.751 37.620 1.00 23.61 C ATOM 909 CD LYS A 119 39.404 32.210 39.060 1.00 31.56 C ATOM 910 CE LYS A 119 38.480 33.294 39.207 0.00 0.00 C ATOM 911 NZ LYS A 119 38.422 33.678 40.622 0.00 0.00 N ATOM 0 H LYS A 119 36.559 30.675 35.034 1.00 12.84 H new ATOM 0 HA LYS A 119 39.055 31.571 35.027 1.00 13.32 H new ATOM 0 HB2 LYS A 119 37.602 32.000 36.889 1.00 23.06 H new ATOM 0 HB3 LYS A 119 37.856 30.535 37.359 1.00 23.06 H new ATOM 0 HG2 LYS A 119 40.231 31.017 37.610 1.00 23.61 H new ATOM 0 HG3 LYS A 119 39.994 32.476 37.113 1.00 23.61 H new ATOM 0 HD2 LYS A 119 39.094 31.459 39.590 1.00 31.56 H new ATOM 0 HD3 LYS A 119 40.263 32.478 39.422 1.00 31.56 H new ATOM 0 HE2 LYS A 119 38.759 34.049 38.665 0.00 0.00 H new ATOM 0 HE3 LYS A 119 37.600 33.030 38.894 0.00 0.00 H new ATOM 0 HZ1 LYS A 119 37.850 34.352 40.724 0.00 0.00 H new ATOM 0 HZ2 LYS A 119 38.151 32.983 41.108 0.00 0.00 H new ATOM 0 HZ3 LYS A 119 39.230 33.932 40.894 0.00 0.00 H new ATOM 912 N GLU A 120 38.364 28.491 35.353 1.00 14.08 N ATOM 913 CA GLU A 120 38.898 27.206 35.235 1.00 13.32 C ATOM 914 C GLU A 120 39.428 26.969 33.841 1.00 16.57 C ATOM 915 O GLU A 120 40.480 26.446 33.714 1.00 27.38 O ATOM 916 CB GLU A 120 37.891 25.971 35.739 1.00 18.43 C ATOM 917 CG GLU A 120 37.471 26.175 37.201 1.00 43.35 C ATOM 918 CD GLU A 120 36.339 25.038 37.609 1.00 50.07 C ATOM 919 OE1 GLU A 120 35.942 24.950 38.810 1.00 43.18 O ATOM 920 OE2 GLU A 120 36.125 24.008 36.882 1.00 33.47 O ATOM 0 H GLU A 120 37.505 28.528 35.353 1.00 14.08 H new ATOM 0 HA GLU A 120 39.638 27.178 35.862 1.00 13.32 H new ATOM 0 HB2 GLU A 120 37.104 25.938 35.173 1.00 18.43 H new ATOM 0 HB3 GLU A 120 38.344 25.119 35.644 1.00 18.43 H new ATOM 0 HG2 GLU A 120 38.243 26.101 37.783 1.00 43.35 H new ATOM 0 HG3 GLU A 120 37.108 27.066 37.323 1.00 43.35 H new ATOM 921 N VAL A 121 38.715 27.236 32.831 1.00 16.87 N ATOM 922 CA VAL A 121 39.181 27.129 31.442 1.00 5.07 C ATOM 923 C VAL A 121 40.605 27.910 31.179 1.00 8.45 C ATOM 924 O VAL A 121 41.481 27.324 30.641 1.00 16.73 O ATOM 925 CB VAL A 121 38.135 27.570 30.511 1.00 7.52 C ATOM 926 CG1 VAL A 121 38.638 27.788 29.071 1.00 6.84 C ATOM 927 CG2 VAL A 121 36.785 26.527 30.557 1.00 11.25 C ATOM 0 H VAL A 121 37.899 27.501 32.896 1.00 16.87 H new ATOM 0 HA VAL A 121 39.363 26.191 31.274 1.00 5.07 H new ATOM 0 HB VAL A 121 37.853 28.445 30.822 1.00 7.52 H new ATOM 0 HG11 VAL A 121 37.901 28.077 28.511 1.00 6.84 H new ATOM 0 HG12 VAL A 121 39.330 28.467 29.069 1.00 6.84 H new ATOM 0 HG13 VAL A 121 39.000 26.957 28.725 1.00 6.84 H new ATOM 0 HG21 VAL A 121 36.111 26.842 29.934 1.00 11.25 H new ATOM 0 HG22 VAL A 121 37.060 25.630 30.310 1.00 11.25 H new ATOM 0 HG23 VAL A 121 36.415 26.516 31.454 1.00 11.25 H new ATOM 928 N VAL A 122 40.919 29.170 31.588 1.00 17.69 N ATOM 929 CA VAL A 122 42.198 30.015 31.186 1.00 3.64 C ATOM 930 C VAL A 122 43.370 29.879 32.100 1.00 12.52 C ATOM 931 O VAL A 122 44.564 30.220 31.682 1.00 20.01 O ATOM 932 CB VAL A 122 42.045 31.512 30.921 1.00 4.66 C ATOM 933 CG1 VAL A 122 40.971 31.559 29.818 1.00 5.55 C ATOM 934 CG2 VAL A 122 41.604 32.160 32.224 1.00 6.37 C ATOM 0 H VAL A 122 40.405 29.604 32.123 1.00 17.69 H new ATOM 0 HA VAL A 122 42.348 29.577 30.333 1.00 3.64 H new ATOM 0 HB VAL A 122 42.844 31.983 30.638 1.00 4.66 H new ATOM 0 HG11 VAL A 122 40.798 32.482 29.574 1.00 5.55 H new ATOM 0 HG12 VAL A 122 41.285 31.072 29.040 1.00 5.55 H new ATOM 0 HG13 VAL A 122 40.153 31.152 30.145 1.00 5.55 H new ATOM 0 HG21 VAL A 122 41.497 33.115 32.091 1.00 6.37 H new ATOM 0 HG22 VAL A 122 40.759 31.777 32.507 1.00 6.37 H new ATOM 0 HG23 VAL A 122 42.274 32.002 32.907 1.00 6.37 H new ATOM 935 N GLY A 123 42.991 29.367 33.282 1.00 15.67 N ATOM 936 CA GLY A 123 43.982 29.188 34.296 1.00 21.70 C ATOM 937 C GLY A 123 44.982 30.475 34.494 1.00 24.17 C ATOM 938 O GLY A 123 44.513 31.501 34.862 1.00 16.12 O ATOM 0 H GLY A 123 42.191 29.131 33.492 1.00 15.67 H new ATOM 0 HA2 GLY A 123 43.538 29.003 35.139 1.00 21.70 H new ATOM 0 HA3 GLY A 123 44.515 28.407 34.079 1.00 21.70 H new ATOM 939 N ALA A 124 46.281 30.365 34.475 1.00 21.19 N ATOM 940 CA ALA A 124 47.314 31.477 34.956 1.00 23.63 C ATOM 941 C ALA A 124 47.293 32.749 34.162 1.00 16.82 C ATOM 942 O ALA A 124 48.136 33.771 34.481 1.00 23.00 O ATOM 943 CB ALA A 124 48.765 31.194 34.843 1.00 20.35 C ATOM 0 H ALA A 124 46.672 29.654 34.189 1.00 21.19 H new ATOM 0 HA ALA A 124 46.996 31.518 35.871 1.00 23.63 H new ATOM 0 HB1 ALA A 124 49.270 31.955 35.171 1.00 20.35 H new ATOM 0 HB2 ALA A 124 48.984 30.410 35.370 1.00 20.35 H new ATOM 0 HB3 ALA A 124 48.992 31.032 33.914 1.00 20.35 H new ATOM 944 N LYS A 125 46.578 32.570 33.033 1.00 13.37 N ATOM 945 CA LYS A 125 46.521 33.728 32.152 1.00 21.11 C ATOM 946 C LYS A 125 45.554 34.620 32.699 1.00 22.78 C ATOM 947 O LYS A 125 45.260 35.576 32.020 1.00 16.04 O ATOM 948 CB LYS A 125 46.168 33.338 30.682 1.00 23.79 C ATOM 949 CG LYS A 125 47.294 32.644 30.034 1.00 37.08 C ATOM 950 CD LYS A 125 47.080 32.458 28.523 1.00 30.25 C ATOM 951 CE LYS A 125 45.692 31.642 28.166 1.00 40.08 C ATOM 952 NZ LYS A 125 45.598 30.226 28.615 1.00 37.75 N ATOM 0 H LYS A 125 46.162 31.859 32.785 1.00 13.37 H new ATOM 0 HA LYS A 125 47.393 34.150 32.104 1.00 21.11 H new ATOM 0 HB2 LYS A 125 45.384 32.766 30.675 1.00 23.79 H new ATOM 0 HB3 LYS A 125 45.942 34.135 30.178 1.00 23.79 H new ATOM 0 HG2 LYS A 125 48.109 33.148 30.183 1.00 37.08 H new ATOM 0 HG3 LYS A 125 47.417 31.776 30.449 1.00 37.08 H new ATOM 0 HD2 LYS A 125 47.057 33.328 28.095 1.00 30.25 H new ATOM 0 HD3 LYS A 125 47.836 31.978 28.151 1.00 30.25 H new ATOM 0 HE2 LYS A 125 44.949 32.130 28.554 1.00 40.08 H new ATOM 0 HE3 LYS A 125 45.572 31.660 27.204 1.00 40.08 H new ATOM 0 HZ1 LYS A 125 44.742 29.991 28.680 1.00 37.75 H new ATOM 0 HZ2 LYS A 125 46.006 29.699 28.025 1.00 37.75 H new ATOM 0 HZ3 LYS A 125 45.990 30.140 29.409 1.00 37.75 H new ATOM 953 N TRP A 126 44.867 34.164 33.782 1.00 15.25 N ATOM 954 CA TRP A 126 43.754 34.858 34.242 1.00 10.05 C ATOM 955 C TRP A 126 44.298 36.308 34.702 1.00 15.10 C ATOM 956 O TRP A 126 45.499 36.573 35.106 1.00 17.44 O ATOM 957 CB TRP A 126 43.063 34.030 35.419 1.00 11.41 C ATOM 958 CG TRP A 126 41.753 34.561 35.772 1.00 23.10 C ATOM 959 CD1 TRP A 126 40.529 34.324 35.171 1.00 20.11 C ATOM 960 CD2 TRP A 126 41.616 35.435 36.827 1.00 19.80 C ATOM 961 NE1 TRP A 126 39.622 34.998 35.866 1.00 26.61 N ATOM 962 CE2 TRP A 126 40.248 35.630 36.845 1.00 14.57 C ATOM 963 CE3 TRP A 126 42.554 36.069 37.727 1.00 29.86 C ATOM 964 CZ2 TRP A 126 39.770 36.473 37.761 1.00 35.96 C ATOM 965 CZ3 TRP A 126 42.063 36.947 38.650 1.00 43.53 C ATOM 966 CH2 TRP A 126 40.714 37.137 38.663 1.00 36.89 C ATOM 0 H TRP A 126 45.066 33.456 34.227 1.00 15.25 H new ATOM 0 HA TRP A 126 43.067 34.976 33.568 1.00 10.05 H new ATOM 0 HB2 TRP A 126 42.972 33.103 35.149 1.00 11.41 H new ATOM 0 HB3 TRP A 126 43.637 34.043 36.201 1.00 11.41 H new ATOM 0 HD1 TRP A 126 40.372 33.794 34.423 1.00 20.11 H new ATOM 0 HE1 TRP A 126 38.777 35.020 35.708 1.00 26.61 H new ATOM 0 HE3 TRP A 126 43.464 35.884 37.678 1.00 29.86 H new ATOM 0 HZ2 TRP A 126 38.857 36.636 37.826 1.00 35.96 H new ATOM 0 HZ3 TRP A 126 42.623 37.395 39.242 1.00 43.53 H new ATOM 0 HH2 TRP A 126 40.368 37.731 39.289 1.00 36.89 H new ATOM 967 N SER A 127 43.548 37.272 34.423 1.00 19.52 N ATOM 968 CA SER A 127 43.913 38.723 34.822 1.00 18.26 C ATOM 969 C SER A 127 42.688 39.339 35.266 1.00 20.34 C ATOM 970 O SER A 127 41.497 38.825 34.967 1.00 11.54 O ATOM 971 CB SER A 127 44.648 39.677 33.751 1.00 7.61 C ATOM 972 OG SER A 127 43.794 39.698 32.619 1.00 11.79 O ATOM 0 H SER A 127 42.801 37.195 34.003 1.00 19.52 H new ATOM 0 HA SER A 127 44.604 38.633 35.496 1.00 18.26 H new ATOM 0 HB2 SER A 127 44.777 40.569 34.108 1.00 7.61 H new ATOM 0 HB3 SER A 127 45.526 39.334 33.521 1.00 7.61 H new ATOM 0 HG SER A 127 43.740 38.925 32.294 1.00 11.79 H new ATOM 973 N GLU A 128 43.006 40.487 35.866 1.00 17.36 N ATOM 974 CA GLU A 128 41.923 41.237 36.285 1.00 18.05 C ATOM 975 C GLU A 128 41.251 41.717 35.077 1.00 5.80 C ATOM 976 O GLU A 128 39.989 41.626 35.060 1.00 15.51 O ATOM 977 CB GLU A 128 42.455 42.465 37.202 1.00 17.95 C ATOM 978 CG GLU A 128 42.866 41.961 38.577 1.00 56.84 C ATOM 979 CD GLU A 128 43.451 43.179 39.425 0.00 0.00 C ATOM 980 OE1 GLU A 128 44.469 43.119 40.147 0.00 0.00 O ATOM 981 OE2 GLU A 128 42.767 44.115 39.618 0.00 0.00 O ATOM 0 H GLU A 128 43.793 40.801 36.015 1.00 17.36 H new ATOM 0 HA GLU A 128 41.302 40.720 36.822 1.00 18.05 H new ATOM 0 HB2 GLU A 128 43.209 42.896 36.770 1.00 17.95 H new ATOM 0 HB3 GLU A 128 41.759 43.135 37.291 1.00 17.95 H new ATOM 0 HG2 GLU A 128 42.103 41.572 39.033 1.00 56.84 H new ATOM 0 HG3 GLU A 128 43.533 41.262 38.492 1.00 56.84 H new ATOM 982 N GLU A 129 42.117 42.240 34.151 1.00 8.94 N ATOM 983 CA GLU A 129 41.630 42.733 32.894 1.00 6.46 C ATOM 984 C GLU A 129 40.636 41.650 32.188 1.00 9.71 C ATOM 985 O GLU A 129 39.627 41.940 31.588 1.00 14.81 O ATOM 986 CB GLU A 129 42.878 43.088 32.008 1.00 10.40 C ATOM 987 CG GLU A 129 42.441 43.746 30.725 1.00 27.50 C ATOM 988 CD GLU A 129 42.508 45.254 30.977 1.00 44.10 C ATOM 989 OE1 GLU A 129 43.226 46.048 30.189 1.00 45.82 O ATOM 990 OE2 GLU A 129 41.795 45.707 31.866 1.00 37.82 O ATOM 0 H GLU A 129 42.968 42.303 34.260 1.00 8.94 H new ATOM 0 HA GLU A 129 41.094 43.532 33.018 1.00 6.46 H new ATOM 0 HB2 GLU A 129 43.471 43.680 32.496 1.00 10.40 H new ATOM 0 HB3 GLU A 129 43.381 42.283 31.810 1.00 10.40 H new ATOM 0 HG2 GLU A 129 43.020 43.491 29.990 1.00 27.50 H new ATOM 0 HG3 GLU A 129 41.541 43.474 30.485 1.00 27.50 H new ATOM 991 N LEU A 130 40.908 40.401 32.230 1.00 22.22 N ATOM 992 CA LEU A 130 39.988 39.301 31.575 1.00 14.02 C ATOM 993 C LEU A 130 38.645 39.059 32.336 1.00 6.71 C ATOM 994 O LEU A 130 37.535 38.765 31.773 1.00 14.49 O ATOM 995 CB LEU A 130 40.711 38.037 31.549 1.00 13.39 C ATOM 996 CG LEU A 130 39.875 36.710 31.007 1.00 9.55 C ATOM 997 CD1 LEU A 130 39.579 36.733 29.487 1.00 21.25 C ATOM 998 CD2 LEU A 130 40.554 35.494 31.343 1.00 21.09 C ATOM 0 H LEU A 130 41.607 40.083 32.617 1.00 22.22 H new ATOM 0 HA LEU A 130 39.767 39.627 30.688 1.00 14.02 H new ATOM 0 HB2 LEU A 130 41.496 38.149 30.990 1.00 13.39 H new ATOM 0 HB3 LEU A 130 41.026 37.850 32.447 1.00 13.39 H new ATOM 0 HG LEU A 130 39.020 36.747 31.464 1.00 9.55 H new ATOM 0 HD11 LEU A 130 39.091 35.932 29.240 1.00 21.25 H new ATOM 0 HD12 LEU A 130 39.046 37.515 29.273 1.00 21.25 H new ATOM 0 HD13 LEU A 130 40.414 36.767 28.995 1.00 21.25 H new ATOM 0 HD21 LEU A 130 40.044 34.737 31.015 1.00 21.09 H new ATOM 0 HD22 LEU A 130 41.434 35.491 30.935 1.00 21.09 H new ATOM 0 HD23 LEU A 130 40.644 35.429 32.307 1.00 21.09 H new ATOM 999 N ASN A 131 38.725 39.092 33.638 1.00 22.47 N ATOM 1000 CA ASN A 131 37.562 38.816 34.502 1.00 8.58 C ATOM 1001 C ASN A 131 36.674 39.887 34.344 1.00 8.90 C ATOM 1002 O ASN A 131 35.414 39.551 34.251 1.00 11.69 O ATOM 1003 CB ASN A 131 38.067 38.970 35.942 1.00 10.26 C ATOM 1004 CG ASN A 131 36.792 38.654 36.802 1.00 25.01 C ATOM 1005 OD1 ASN A 131 36.460 39.539 37.557 1.00 28.22 O ATOM 1006 ND2 ASN A 131 36.240 37.378 36.851 1.00 22.64 N ATOM 0 H ASN A 131 39.448 39.273 34.067 1.00 22.47 H new ATOM 0 HA ASN A 131 37.165 37.953 34.305 1.00 8.58 H new ATOM 0 HB2 ASN A 131 38.792 38.355 36.136 1.00 10.26 H new ATOM 0 HB3 ASN A 131 38.401 39.865 36.111 1.00 10.26 H new ATOM 0 HD21 ASN A 131 35.637 37.193 37.435 1.00 22.64 H new ATOM 0 HD22 ASN A 131 36.502 36.775 36.297 1.00 22.64 H new ATOM 1007 N SER A 132 37.345 41.142 34.216 1.00 12.86 N ATOM 1008 CA SER A 132 36.577 42.273 33.945 1.00 8.09 C ATOM 1009 C SER A 132 35.909 42.133 32.565 1.00 6.40 C ATOM 1010 O SER A 132 34.713 42.355 32.404 1.00 14.95 O ATOM 1011 CB SER A 132 37.463 43.662 34.101 1.00 3.00 C ATOM 1012 OG ASER A 132 38.336 43.917 32.966 0.33 17.00 O ATOM 1013 OG BSER A 132 38.132 43.576 35.311 0.33 6.93 O ATOM 1014 OG CSER A 132 37.039 44.660 33.224 0.33 3.06 O ATOM 0 H SER A 132 38.192 41.269 34.291 1.00 12.86 H new ATOM 0 HA SER A 132 35.869 42.341 34.604 1.00 8.09 H new ATOM 0 HB2ASER A 132 36.859 44.413 34.212 0.33 3.00 H new ATOM 0 HB2BSER A 132 38.090 43.754 33.367 0.33 3.00 H new ATOM 0 HB2CSER A 132 37.396 43.986 35.013 0.33 3.00 H new ATOM 0 HB3ASER A 132 37.999 43.608 34.908 0.33 3.00 H new ATOM 0 HB3BSER A 132 36.887 44.442 34.081 0.33 3.00 H new ATOM 0 HB3CSER A 132 38.399 43.467 33.937 0.33 3.00 H new ATOM 0 HG ASER A 132 38.607 43.187 32.651 0.33 3.06 H new ATOM 0 HG BSER A 132 38.770 43.034 35.241 0.33 3.06 H new ATOM 0 HG CSER A 132 37.509 45.347 33.333 0.33 3.06 H new ATOM 1015 N ALA A 133 36.647 41.787 31.550 1.00 12.35 N ATOM 1016 CA ALA A 133 36.030 41.587 30.214 1.00 13.38 C ATOM 1017 C ALA A 133 34.744 40.497 30.121 1.00 18.59 C ATOM 1018 O ALA A 133 33.675 40.743 29.577 1.00 16.27 O ATOM 1019 CB ALA A 133 37.111 41.284 29.219 1.00 9.44 C ATOM 0 H ALA A 133 37.497 41.658 31.583 1.00 12.35 H new ATOM 0 HA ALA A 133 35.590 42.425 30.001 1.00 13.38 H new ATOM 0 HB1 ALA A 133 36.717 41.152 28.343 1.00 9.44 H new ATOM 0 HB2 ALA A 133 37.736 42.025 29.184 1.00 9.44 H new ATOM 0 HB3 ALA A 133 37.581 40.479 29.487 1.00 9.44 H new ATOM 1020 N TRP A 134 34.758 39.320 30.740 1.00 16.15 N ATOM 1021 CA TRP A 134 33.586 38.294 30.687 1.00 5.19 C ATOM 1022 C TRP A 134 32.494 38.686 31.607 1.00 15.96 C ATOM 1023 O TRP A 134 31.289 38.276 31.309 1.00 17.22 O ATOM 1024 CB TRP A 134 33.926 36.945 31.181 1.00 8.43 C ATOM 1025 CG TRP A 134 34.597 36.125 30.153 1.00 8.00 C ATOM 1026 CD1 TRP A 134 35.916 36.071 29.995 1.00 3.92 C ATOM 1027 CD2 TRP A 134 33.906 35.151 29.267 1.00 12.72 C ATOM 1028 NE1 TRP A 134 36.051 35.164 28.941 1.00 9.43 N ATOM 1029 CE2 TRP A 134 34.876 34.627 28.516 1.00 12.49 C ATOM 1030 CE3 TRP A 134 32.530 34.705 29.070 1.00 24.77 C ATOM 1031 CZ2 TRP A 134 34.519 33.670 27.500 1.00 11.55 C ATOM 1032 CZ3 TRP A 134 32.162 33.780 28.034 1.00 9.97 C ATOM 1033 CH2 TRP A 134 33.135 33.293 27.253 1.00 14.95 C ATOM 0 H TRP A 134 35.424 39.051 31.213 1.00 16.15 H new ATOM 0 HA TRP A 134 33.353 38.285 29.745 1.00 5.19 H new ATOM 0 HB2 TRP A 134 34.503 37.023 31.957 1.00 8.43 H new ATOM 0 HB3 TRP A 134 33.117 36.496 31.473 1.00 8.43 H new ATOM 0 HD1 TRP A 134 36.579 36.522 30.466 1.00 3.92 H new ATOM 0 HE1 TRP A 134 36.811 34.963 28.592 1.00 9.43 H new ATOM 0 HE3 TRP A 134 31.868 35.031 29.635 1.00 24.77 H new ATOM 0 HZ2 TRP A 134 35.191 33.282 26.988 1.00 11.55 H new ATOM 0 HZ3 TRP A 134 31.276 33.527 27.910 1.00 9.97 H new ATOM 0 HH2 TRP A 134 32.927 32.715 26.555 1.00 14.95 H new ATOM 1034 N THR A 135 32.874 39.492 32.643 1.00 14.77 N ATOM 1035 CA THR A 135 31.845 39.950 33.545 1.00 17.56 C ATOM 1036 C THR A 135 31.051 40.968 32.888 1.00 9.04 C ATOM 1037 O THR A 135 29.793 40.726 32.819 1.00 15.10 O ATOM 1038 CB THR A 135 32.530 40.574 34.806 1.00 5.05 C ATOM 1039 OG1 THR A 135 33.101 39.555 35.530 1.00 11.97 O ATOM 1040 CG2 THR A 135 31.529 41.166 35.702 1.00 18.64 C ATOM 0 H THR A 135 33.675 39.756 32.812 1.00 14.77 H new ATOM 0 HA THR A 135 31.275 39.209 33.803 1.00 17.56 H new ATOM 0 HB THR A 135 33.167 41.241 34.506 1.00 5.05 H new ATOM 0 HG1 THR A 135 33.850 39.364 35.202 1.00 11.97 H new ATOM 0 HG21 THR A 135 31.972 41.547 36.476 1.00 18.64 H new ATOM 0 HG22 THR A 135 31.045 41.863 35.232 1.00 18.64 H new ATOM 0 HG23 THR A 135 30.907 40.480 35.991 1.00 18.64 H new ATOM 1041 N ILE A 136 31.739 41.868 32.132 1.00 8.03 N ATOM 1042 CA ILE A 136 31.041 42.789 31.424 1.00 5.18 C ATOM 1043 C ILE A 136 30.166 42.097 30.333 1.00 5.36 C ATOM 1044 O ILE A 136 29.015 42.411 30.185 1.00 20.73 O ATOM 1045 CB ILE A 136 32.061 43.924 30.782 1.00 20.69 C ATOM 1046 CG1 ILE A 136 32.975 44.811 31.788 1.00 27.95 C ATOM 1047 CG2 ILE A 136 31.371 44.856 29.881 1.00 25.26 C ATOM 1048 CD1 ILE A 136 34.234 45.614 31.094 1.00 19.11 C ATOM 0 H ILE A 136 32.595 41.909 32.059 1.00 8.03 H new ATOM 0 HA ILE A 136 30.436 43.253 32.023 1.00 5.18 H new ATOM 0 HB ILE A 136 32.679 43.339 30.316 1.00 20.69 H new ATOM 0 HG12 ILE A 136 32.404 45.459 32.229 1.00 27.95 H new ATOM 0 HG13 ILE A 136 33.327 44.227 32.478 1.00 27.95 H new ATOM 0 HG21 ILE A 136 32.007 45.499 29.531 1.00 25.26 H new ATOM 0 HG22 ILE A 136 30.974 44.362 29.146 1.00 25.26 H new ATOM 0 HG23 ILE A 136 30.675 45.323 30.369 1.00 25.26 H new ATOM 0 HD11 ILE A 136 34.715 46.111 31.774 1.00 19.11 H new ATOM 0 HD12 ILE A 136 34.833 44.976 30.675 1.00 19.11 H new ATOM 0 HD13 ILE A 136 33.896 46.228 30.423 1.00 19.11 H new ATOM 1049 N ALA A 137 30.715 41.295 29.557 1.00 10.19 N ATOM 1050 CA ALA A 137 29.879 40.626 28.456 1.00 17.51 C ATOM 1051 C ALA A 137 28.561 39.713 28.945 1.00 16.88 C ATOM 1052 O ALA A 137 27.456 39.602 28.309 1.00 9.07 O ATOM 1053 CB ALA A 137 30.774 39.816 27.595 1.00 10.05 C ATOM 0 H ALA A 137 31.545 41.073 29.580 1.00 10.19 H new ATOM 0 HA ALA A 137 29.472 41.363 27.975 1.00 17.51 H new ATOM 0 HB1 ALA A 137 30.253 39.390 26.897 1.00 10.05 H new ATOM 0 HB2 ALA A 137 31.444 40.391 27.193 1.00 10.05 H new ATOM 0 HB3 ALA A 137 31.212 39.137 28.131 1.00 10.05 H new ATOM 1054 N TYR A 138 28.675 39.046 30.073 1.00 9.80 N ATOM 1055 CA TYR A 138 27.519 38.218 30.652 1.00 7.71 C ATOM 1056 C TYR A 138 26.517 39.130 31.136 1.00 12.48 C ATOM 1057 O TYR A 138 25.332 38.883 30.722 1.00 18.52 O ATOM 1058 CB TYR A 138 27.904 37.388 31.865 1.00 8.15 C ATOM 1059 CG TYR A 138 26.630 36.441 32.365 1.00 15.31 C ATOM 1060 CD1 TYR A 138 25.750 36.890 33.256 1.00 14.76 C ATOM 1061 CD2 TYR A 138 26.340 35.161 31.862 1.00 8.05 C ATOM 1062 CE1 TYR A 138 24.633 36.059 33.670 1.00 5.46 C ATOM 1063 CE2 TYR A 138 25.234 34.315 32.305 1.00 8.67 C ATOM 1064 CZ TYR A 138 24.399 34.744 33.223 1.00 6.25 C ATOM 1065 OH TYR A 138 23.259 33.805 33.759 1.00 8.67 O ATOM 0 H TYR A 138 29.391 39.032 30.549 1.00 9.80 H new ATOM 0 HA TYR A 138 27.227 37.628 29.939 1.00 7.71 H new ATOM 0 HB2 TYR A 138 28.664 36.826 31.649 1.00 8.15 H new ATOM 0 HB3 TYR A 138 28.180 37.973 32.588 1.00 8.15 H new ATOM 0 HD1 TYR A 138 25.851 37.742 33.616 1.00 14.76 H new ATOM 0 HD2 TYR A 138 26.895 34.826 31.195 1.00 8.05 H new ATOM 0 HE1 TYR A 138 24.027 36.422 34.275 1.00 5.46 H new ATOM 0 HE2 TYR A 138 25.121 33.469 31.935 1.00 8.67 H new ATOM 0 HH TYR A 138 23.189 33.895 34.591 1.00 8.67 H new ATOM 1066 N ASP A 139 26.956 40.162 31.966 1.00 12.89 N ATOM 1067 CA ASP A 139 26.010 41.070 32.458 1.00 12.18 C ATOM 1068 C ASP A 139 25.277 41.757 31.360 1.00 5.17 C ATOM 1069 O ASP A 139 24.046 41.823 31.478 1.00 8.92 O ATOM 1070 CB ASP A 139 26.838 42.277 33.166 1.00 8.62 C ATOM 1071 CG ASP A 139 27.147 41.786 34.543 1.00 20.42 C ATOM 1072 OD1 ASP A 139 26.632 40.598 34.849 1.00 14.26 O ATOM 1073 OD2 ASP A 139 28.200 42.360 35.120 1.00 17.95 O ATOM 0 H ASP A 139 27.770 40.297 32.210 1.00 12.89 H new ATOM 0 HA ASP A 139 25.401 40.581 33.033 1.00 12.18 H new ATOM 0 HB2 ASP A 139 27.650 42.479 32.676 1.00 8.62 H new ATOM 0 HB3 ASP A 139 26.313 43.092 33.194 1.00 8.62 H new ATOM 1074 N GLU A 140 25.946 42.160 30.314 1.00 4.63 N ATOM 1075 CA GLU A 140 25.333 42.802 29.153 1.00 17.02 C ATOM 1076 C GLU A 140 24.349 41.812 28.347 1.00 15.88 C ATOM 1077 O GLU A 140 23.207 42.090 28.022 1.00 9.70 O ATOM 1078 CB GLU A 140 26.473 43.484 28.200 1.00 4.43 C ATOM 1079 CG GLU A 140 27.402 44.693 28.887 1.00 17.12 C ATOM 1080 CD GLU A 140 26.704 45.880 29.359 1.00 35.02 C ATOM 1081 OE1 GLU A 140 25.556 46.040 28.941 1.00 16.04 O ATOM 1082 OE2 GLU A 140 27.197 46.613 30.324 1.00 18.34 O ATOM 0 H GLU A 140 26.798 42.071 30.244 1.00 4.63 H new ATOM 0 HA GLU A 140 24.764 43.517 29.477 1.00 17.02 H new ATOM 0 HB2 GLU A 140 27.068 42.783 27.891 1.00 4.43 H new ATOM 0 HB3 GLU A 140 26.034 43.849 27.416 1.00 4.43 H new ATOM 0 HG2 GLU A 140 27.887 44.311 29.636 1.00 17.12 H new ATOM 0 HG3 GLU A 140 28.063 44.972 28.234 1.00 17.12 H new ATOM 1083 N LEU A 141 24.697 40.598 28.230 1.00 10.24 N ATOM 1084 CA LEU A 141 23.768 39.638 27.579 1.00 3.00 C ATOM 1085 C LEU A 141 22.511 39.222 28.467 1.00 16.24 C ATOM 1086 O LEU A 141 21.324 39.004 27.984 1.00 19.37 O ATOM 1087 CB LEU A 141 24.515 38.426 27.147 1.00 13.54 C ATOM 1088 CG LEU A 141 23.510 37.243 26.433 1.00 11.54 C ATOM 1089 CD1 LEU A 141 23.083 37.749 25.062 1.00 9.02 C ATOM 1090 CD2 LEU A 141 24.112 35.926 26.212 1.00 6.20 C ATOM 0 H LEU A 141 25.443 40.268 28.500 1.00 10.24 H new ATOM 0 HA LEU A 141 23.400 40.105 26.813 1.00 3.00 H new ATOM 0 HB2 LEU A 141 25.203 38.684 26.513 1.00 13.54 H new ATOM 0 HB3 LEU A 141 24.967 38.040 27.914 1.00 13.54 H new ATOM 0 HG LEU A 141 22.788 37.117 27.069 1.00 11.54 H new ATOM 0 HD11 LEU A 141 22.510 37.091 24.638 1.00 9.02 H new ATOM 0 HD12 LEU A 141 22.598 38.583 25.161 1.00 9.02 H new ATOM 0 HD13 LEU A 141 23.868 37.896 24.512 1.00 9.02 H new ATOM 0 HD21 LEU A 141 23.459 35.336 25.805 1.00 6.20 H new ATOM 0 HD22 LEU A 141 24.878 36.015 25.623 1.00 6.20 H new ATOM 0 HD23 LEU A 141 24.399 35.554 27.061 1.00 6.20 H new ATOM 1091 N ALA A 142 22.744 39.139 29.754 1.00 13.91 N ATOM 1092 CA ALA A 142 21.669 38.708 30.695 1.00 13.86 C ATOM 1093 C ALA A 142 20.704 39.737 30.788 1.00 21.31 C ATOM 1094 O ALA A 142 19.445 39.339 30.796 1.00 14.30 O ATOM 1095 CB ALA A 142 22.234 38.480 32.099 1.00 7.41 C ATOM 0 H ALA A 142 23.499 39.320 30.125 1.00 13.91 H new ATOM 0 HA ALA A 142 21.282 37.884 30.360 1.00 13.86 H new ATOM 0 HB1 ALA A 142 21.520 38.201 32.694 1.00 7.41 H new ATOM 0 HB2 ALA A 142 22.915 37.790 32.066 1.00 7.41 H new ATOM 0 HB3 ALA A 142 22.625 39.304 32.428 1.00 7.41 H new ATOM 1096 N ILE A 143 21.276 41.029 30.672 1.00 12.38 N ATOM 1097 CA ILE A 143 20.336 42.069 30.704 1.00 9.24 C ATOM 1098 C ILE A 143 19.306 41.889 29.568 1.00 17.13 C ATOM 1099 O ILE A 143 18.081 41.967 29.785 1.00 14.42 O ATOM 1100 CB ILE A 143 21.214 43.488 30.658 1.00 9.83 C ATOM 1101 CG1 ILE A 143 21.935 43.788 31.971 1.00 6.34 C ATOM 1102 CG2 ILE A 143 20.439 44.646 30.292 1.00 23.04 C ATOM 1103 CD1 ILE A 143 23.006 45.074 31.793 1.00 16.33 C ATOM 0 H ILE A 143 22.107 41.235 30.587 1.00 12.38 H new ATOM 0 HA ILE A 143 19.794 42.077 31.509 1.00 9.24 H new ATOM 0 HB ILE A 143 21.867 43.322 29.960 1.00 9.83 H new ATOM 0 HG12 ILE A 143 21.285 43.997 32.660 1.00 6.34 H new ATOM 0 HG13 ILE A 143 22.417 43.000 32.266 1.00 6.34 H new ATOM 0 HG21 ILE A 143 21.011 45.430 30.286 1.00 23.04 H new ATOM 0 HG22 ILE A 143 20.060 44.516 29.409 1.00 23.04 H new ATOM 0 HG23 ILE A 143 19.724 44.773 30.935 1.00 23.04 H new ATOM 0 HD11 ILE A 143 23.450 45.245 32.638 1.00 16.33 H new ATOM 0 HD12 ILE A 143 23.668 44.853 31.119 1.00 16.33 H new ATOM 0 HD13 ILE A 143 22.518 45.866 31.519 1.00 16.33 H new ATOM 1104 N VAL A 144 19.777 41.508 28.421 1.00 13.56 N ATOM 1105 CA VAL A 144 18.964 41.298 27.201 1.00 19.41 C ATOM 1106 C VAL A 144 17.913 40.029 27.278 1.00 20.37 C ATOM 1107 O VAL A 144 16.703 40.094 27.005 1.00 18.78 O ATOM 1108 CB VAL A 144 19.879 41.175 25.968 1.00 27.67 C ATOM 1109 CG1 VAL A 144 19.031 40.787 24.700 1.00 22.50 C ATOM 1110 CG2 VAL A 144 20.946 42.463 25.727 1.00 23.82 C ATOM 0 H VAL A 144 20.613 41.350 28.297 1.00 13.56 H new ATOM 0 HA VAL A 144 18.402 42.084 27.123 1.00 19.41 H new ATOM 0 HB VAL A 144 20.493 40.446 26.149 1.00 27.67 H new ATOM 0 HG11 VAL A 144 19.616 40.712 23.930 1.00 22.50 H new ATOM 0 HG12 VAL A 144 18.589 39.937 24.854 1.00 22.50 H new ATOM 0 HG13 VAL A 144 18.365 41.472 24.534 1.00 22.50 H new ATOM 0 HG21 VAL A 144 21.478 42.299 24.933 1.00 23.82 H new ATOM 0 HG22 VAL A 144 20.442 43.284 25.614 1.00 23.82 H new ATOM 0 HG23 VAL A 144 21.531 42.547 26.496 1.00 23.82 H new ATOM 1111 N ILE A 145 18.328 38.933 27.754 1.00 16.29 N ATOM 1112 CA ILE A 145 17.336 37.711 27.951 1.00 24.90 C ATOM 1113 C ILE A 145 16.270 37.881 29.007 1.00 28.54 C ATOM 1114 O ILE A 145 15.044 37.447 28.782 1.00 24.62 O ATOM 1115 CB ILE A 145 18.046 36.439 28.188 1.00 32.02 C ATOM 1116 CG1 ILE A 145 18.948 36.181 26.960 1.00 19.27 C ATOM 1117 CG2 ILE A 145 17.006 35.168 28.495 1.00 22.13 C ATOM 1118 CD1 ILE A 145 19.849 35.095 27.237 1.00 21.94 C ATOM 0 H ILE A 145 19.140 38.782 27.993 1.00 16.29 H new ATOM 0 HA ILE A 145 16.872 37.687 27.099 1.00 24.90 H new ATOM 0 HB ILE A 145 18.587 36.507 28.990 1.00 32.02 H new ATOM 0 HG12 ILE A 145 18.402 35.970 26.186 1.00 19.27 H new ATOM 0 HG13 ILE A 145 19.450 36.982 26.743 1.00 19.27 H new ATOM 0 HG21 ILE A 145 17.519 34.358 28.643 1.00 22.13 H new ATOM 0 HG22 ILE A 145 16.478 35.365 29.285 1.00 22.13 H new ATOM 0 HG23 ILE A 145 16.416 35.042 27.735 1.00 22.13 H new ATOM 0 HD11 ILE A 145 20.413 34.937 26.464 1.00 21.94 H new ATOM 0 HD12 ILE A 145 20.403 35.321 28.000 1.00 21.94 H new ATOM 0 HD13 ILE A 145 19.339 34.294 27.434 1.00 21.94 H new ATOM 1119 N LYS A 146 16.709 38.444 30.141 1.00 10.58 N ATOM 1120 CA LYS A 146 15.768 38.678 31.167 1.00 8.11 C ATOM 1121 C LYS A 146 14.777 39.571 30.624 1.00 24.69 C ATOM 1122 O LYS A 146 13.571 39.401 30.980 1.00 31.76 O ATOM 1123 CB LYS A 146 16.539 39.384 32.386 1.00 16.46 C ATOM 1124 CG LYS A 146 16.968 38.366 33.369 1.00 8.31 C ATOM 1125 CD LYS A 146 18.347 38.850 33.999 1.00 6.26 C ATOM 1126 CE LYS A 146 18.323 40.018 34.929 1.00 21.78 C ATOM 1127 NZ LYS A 146 19.732 40.474 35.394 1.00 33.82 N ATOM 0 H LYS A 146 17.519 38.680 30.307 1.00 10.58 H new ATOM 0 HA LYS A 146 15.349 37.862 31.482 1.00 8.11 H new ATOM 0 HB2 LYS A 146 17.310 39.869 32.053 1.00 16.46 H new ATOM 0 HB3 LYS A 146 15.959 40.033 32.813 1.00 16.46 H new ATOM 0 HG2 LYS A 146 16.297 38.258 34.061 1.00 8.31 H new ATOM 0 HG3 LYS A 146 17.075 37.503 32.940 1.00 8.31 H new ATOM 0 HD2 LYS A 146 18.736 38.099 34.475 1.00 6.26 H new ATOM 0 HD3 LYS A 146 18.948 39.064 33.269 1.00 6.26 H new ATOM 0 HE2 LYS A 146 17.879 40.761 34.491 1.00 21.78 H new ATOM 0 HE3 LYS A 146 17.792 39.790 35.708 1.00 21.78 H new ATOM 0 HZ1 LYS A 146 19.653 41.170 35.943 1.00 33.82 H new ATOM 0 HZ2 LYS A 146 20.135 39.805 35.820 1.00 33.82 H new ATOM 0 HZ3 LYS A 146 20.217 40.709 34.686 1.00 33.82 H new ATOM 1128 N LYS A 147 15.215 40.455 29.741 1.00 20.85 N ATOM 1129 CA LYS A 147 14.320 41.318 29.166 1.00 27.44 C ATOM 1130 C LYS A 147 13.238 40.512 28.283 1.00 15.85 C ATOM 1131 O LYS A 147 12.001 40.602 28.398 1.00 28.77 O ATOM 1132 CB LYS A 147 15.200 42.458 28.352 1.00 36.29 C ATOM 1133 CG LYS A 147 14.470 43.662 27.993 1.00 41.80 C ATOM 1134 CD LYS A 147 15.291 44.692 27.047 0.00 0.00 C ATOM 1135 CE LYS A 147 15.510 44.062 25.677 0.00 0.00 C ATOM 1136 NZ LYS A 147 16.193 45.097 24.763 0.00 0.00 N ATOM 0 H LYS A 147 16.032 40.541 29.487 1.00 20.85 H new ATOM 0 HA LYS A 147 13.777 41.784 29.821 1.00 27.44 H new ATOM 0 HB2 LYS A 147 15.961 42.709 28.898 1.00 36.29 H new ATOM 0 HB3 LYS A 147 15.552 42.057 27.542 1.00 36.29 H new ATOM 0 HG2 LYS A 147 13.652 43.407 27.539 1.00 41.80 H new ATOM 0 HG3 LYS A 147 14.211 44.124 28.806 1.00 41.80 H new ATOM 0 HD2 LYS A 147 14.800 45.524 26.956 0.00 0.00 H new ATOM 0 HD3 LYS A 147 16.144 44.909 27.454 0.00 0.00 H new ATOM 0 HE2 LYS A 147 16.061 43.267 25.756 0.00 0.00 H new ATOM 0 HE3 LYS A 147 14.663 43.783 25.295 0.00 0.00 H new ATOM 0 HZ1 LYS A 147 16.327 44.741 23.959 0.00 0.00 H new ATOM 0 HZ2 LYS A 147 15.673 45.815 24.686 0.00 0.00 H new ATOM 0 HZ3 LYS A 147 16.975 45.334 25.115 0.00 0.00 H new ATOM 1137 N GLU A 148 13.676 39.666 27.454 1.00 16.91 N ATOM 1138 CA GLU A 148 12.659 38.772 26.657 1.00 13.94 C ATOM 1139 C GLU A 148 11.742 37.718 27.486 1.00 31.55 C ATOM 1140 O GLU A 148 10.638 37.147 26.991 1.00 31.27 O ATOM 1141 CB GLU A 148 13.453 38.027 25.681 1.00 10.50 C ATOM 1142 CG GLU A 148 14.484 39.011 24.888 1.00 28.92 C ATOM 1143 CD GLU A 148 13.766 39.996 24.094 1.00 46.94 C ATOM 1144 OE1 GLU A 148 12.701 39.574 23.454 1.00 41.46 O ATOM 1145 OE2 GLU A 148 14.115 41.253 24.238 1.00 47.75 O ATOM 0 H GLU A 148 14.507 39.529 27.279 1.00 16.91 H new ATOM 0 HA GLU A 148 12.005 39.388 26.291 1.00 13.94 H new ATOM 0 HB2 GLU A 148 13.951 37.327 26.132 1.00 10.50 H new ATOM 0 HB3 GLU A 148 12.864 37.591 25.045 1.00 10.50 H new ATOM 0 HG2 GLU A 148 15.059 39.463 25.526 1.00 28.92 H new ATOM 0 HG3 GLU A 148 15.059 38.484 24.311 1.00 28.92 H new ATOM 1146 N MET A 149 12.186 37.446 28.705 1.00 26.40 N ATOM 1147 CA MET A 149 11.376 36.470 29.607 1.00 20.95 C ATOM 1148 C MET A 149 10.224 37.106 30.217 1.00 24.32 C ATOM 1149 O MET A 149 9.035 36.474 30.273 1.00 26.22 O ATOM 1150 CB MET A 149 12.270 36.123 30.773 1.00 21.07 C ATOM 1151 CG MET A 149 13.140 35.036 30.388 1.00 12.99 C ATOM 1152 SD MET A 149 14.316 34.720 31.633 1.00 20.73 S ATOM 1153 CE MET A 149 13.167 34.292 32.957 1.00 12.91 C ATOM 0 H MET A 149 12.902 37.768 29.056 1.00 26.40 H new ATOM 0 HA MET A 149 11.091 35.722 29.058 1.00 20.95 H new ATOM 0 HB2 MET A 149 12.794 36.896 31.035 1.00 21.07 H new ATOM 0 HB3 MET A 149 11.736 35.869 31.542 1.00 21.07 H new ATOM 0 HG2 MET A 149 12.614 34.238 30.223 1.00 12.99 H new ATOM 0 HG3 MET A 149 13.592 35.255 29.558 1.00 12.99 H new ATOM 0 HE1 MET A 149 13.582 33.645 33.549 1.00 12.91 H new ATOM 0 HE2 MET A 149 12.939 35.090 33.459 1.00 12.91 H new ATOM 0 HE3 MET A 149 12.361 33.910 32.575 1.00 12.91 H new ATOM 1154 N ASP A 150 10.586 38.328 30.671 1.00 35.85 N ATOM 1155 CA ASP A 150 9.582 39.080 31.261 1.00 56.08 C ATOM 1156 C ASP A 150 8.530 39.349 30.241 1.00 50.15 C ATOM 1157 O ASP A 150 7.277 39.008 30.462 1.00 48.77 O ATOM 1158 CB ASP A 150 10.265 40.430 31.857 1.00 53.23 C ATOM 1159 CG ASP A 150 10.948 40.123 33.161 1.00 51.51 C ATOM 1160 OD1 ASP A 150 11.280 38.974 33.336 0.00 0.00 O ATOM 1161 OD2 ASP A 150 10.813 40.839 34.170 0.00 0.00 O ATOM 0 H ASP A 150 11.369 38.682 30.631 1.00 35.85 H new ATOM 0 HA ASP A 150 9.149 38.617 31.996 1.00 56.08 H new ATOM 0 HB2 ASP A 150 10.907 40.785 31.222 1.00 53.23 H new ATOM 0 HB3 ASP A 150 9.589 41.113 31.989 1.00 53.23 H new ATOM 1162 N ASP A 151 9.041 39.623 29.068 1.00 40.25 N ATOM 1163 CA ASP A 151 8.129 39.654 27.916 1.00 47.65 C ATOM 1164 C ASP A 151 7.334 38.280 27.499 1.00 62.47 C ATOM 1165 O ASP A 151 6.185 38.224 26.956 1.00 59.32 O ATOM 1166 CB ASP A 151 8.931 40.345 26.716 1.00 56.06 C ATOM 1167 CG ASP A 151 9.205 41.877 26.920 1.00 49.88 C ATOM 1168 OD1 ASP A 151 9.751 42.329 27.994 0.00 0.00 O ATOM 1169 OD2 ASP A 151 8.449 42.579 26.329 0.00 0.00 O ATOM 0 H ASP A 151 9.869 39.789 28.903 1.00 40.25 H new ATOM 0 HA ASP A 151 7.354 40.172 28.184 1.00 47.65 H new ATOM 0 HB2 ASP A 151 9.779 39.888 26.602 1.00 56.06 H new ATOM 0 HB3 ASP A 151 8.430 40.223 25.894 1.00 56.06 H new ATOM 1170 N ALA A 152 7.883 37.182 27.745 1.00 52.70 N ATOM 1171 CA ALA A 152 7.139 35.841 27.395 1.00 52.64 C ATOM 1172 C ALA A 152 6.140 35.294 28.494 1.00 61.67 C ATOM 1173 O ALA A 152 5.379 34.178 28.330 1.00 53.59 O ATOM 1174 CB ALA A 152 8.096 34.799 27.148 1.00 48.19 C ATOM 0 H ALA A 152 8.660 37.089 28.102 1.00 52.70 H new ATOM 0 HA ALA A 152 6.608 36.070 26.616 1.00 52.64 H new ATOM 0 HB1 ALA A 152 7.630 33.976 26.933 1.00 48.19 H new ATOM 0 HB2 ALA A 152 8.665 35.052 26.404 1.00 48.19 H new ATOM 0 HB3 ALA A 152 8.640 34.665 27.940 1.00 48.19 H new ATOM 1175 N ALA A 153 6.204 36.060 29.599 1.00 52.71 N ATOM 1176 CA ALA A 153 5.456 35.621 30.839 1.00 58.79 C ATOM 1177 C ALA A 153 4.017 35.968 30.907 1.00 55.43 C ATOM 1178 O ALA A 153 3.855 37.103 31.364 0.00 0.00 O ATOM 1179 CB ALA A 153 6.271 36.303 32.047 1.00 55.90 C ATOM 1180 OXT ALA A 153 3.105 35.340 30.179 0.00 0.00 O ATOM 0 H ALA A 153 6.642 36.797 29.669 1.00 52.71 H new ATOM 0 HA ALA A 153 5.426 34.652 30.862 1.00 58.79 H new ATOM 0 HB1 ALA A 153 5.854 36.070 32.891 1.00 55.90 H new ATOM 0 HB2 ALA A 153 7.187 35.984 32.041 1.00 55.90 H new ATOM 0 HB3 ALA A 153 6.264 37.267 31.939 1.00 55.90 H new TER 1181 ALA A 153 HETATM 1182 C CYN A 154 20.455 27.522 30.184 1.00 3.00 C HETATM 1183 N CYN A 154 21.103 26.865 30.732 1.00 15.44 N HETATM 1184 FE HEM A 155 18.748 28.664 29.853 1.00 13.96 FE HETATM 1185 CHA HEM A 155 16.946 26.158 27.771 1.00 14.14 C HETATM 1186 CHB HEM A 155 20.694 29.949 27.003 1.00 10.76 C HETATM 1187 CHC HEM A 155 20.189 31.473 31.623 1.00 6.71 C HETATM 1188 CHD HEM A 155 17.213 27.219 32.511 1.00 14.08 C HETATM 1189 NA HEM A 155 18.799 28.178 27.768 1.00 19.07 N HETATM 1190 C1A HEM A 155 17.901 27.124 27.145 1.00 8.47 C HETATM 1191 C2A HEM A 155 18.302 27.079 25.772 1.00 11.64 C HETATM 1192 C3A HEM A 155 19.369 28.107 25.568 1.00 16.31 C HETATM 1193 C4A HEM A 155 19.690 28.805 26.827 1.00 25.21 C HETATM 1194 CMA HEM A 155 20.169 28.490 24.273 1.00 19.79 C HETATM 1195 CAA HEM A 155 17.656 26.036 24.765 1.00 26.51 C HETATM 1196 CBA HEM A 155 16.668 26.749 23.948 1.00 50.52 C HETATM 1197 CGA HEM A 155 16.079 25.852 22.794 1.00 61.71 C HETATM 1198 O1A HEM A 155 14.855 25.307 22.864 1.00 59.48 O HETATM 1199 O2A HEM A 155 16.780 25.721 21.758 1.00 58.37 O HETATM 1200 NB HEM A 155 20.171 30.428 29.343 1.00 13.65 N HETATM 1201 C1B HEM A 155 20.883 30.713 28.170 1.00 14.24 C HETATM 1202 C2B HEM A 155 21.825 31.943 28.348 1.00 17.46 C HETATM 1203 C3B HEM A 155 21.639 32.426 29.603 1.00 13.10 C HETATM 1204 C4B HEM A 155 20.578 31.449 30.252 1.00 9.04 C HETATM 1205 CMB HEM A 155 22.789 32.561 27.241 1.00 6.41 C HETATM 1206 CAB HEM A 155 22.387 33.722 30.283 1.00 13.72 C HETATM 1207 CBB HEM A 155 23.000 34.769 29.560 1.00 6.14 C HETATM 1208 NC HEM A 155 18.684 29.250 31.723 1.00 10.15 N HETATM 1209 C1C HEM A 155 19.346 30.446 32.306 1.00 14.53 C HETATM 1210 C2C HEM A 155 19.068 30.391 33.721 1.00 16.52 C HETATM 1211 C3C HEM A 155 18.322 29.162 33.967 1.00 15.16 C HETATM 1212 C4C HEM A 155 18.038 28.456 32.704 1.00 19.22 C HETATM 1213 CMC HEM A 155 19.567 31.507 34.753 1.00 9.55 C HETATM 1214 CAC HEM A 155 17.848 28.608 35.342 1.00 14.02 C HETATM 1215 CBC HEM A 155 18.485 27.738 35.967 1.00 5.29 C HETATM 1216 ND HEM A 155 17.210 27.052 30.070 1.00 18.46 N HETATM 1217 C1D HEM A 155 16.792 26.591 31.308 1.00 13.49 C HETATM 1218 C2D HEM A 155 15.855 25.298 31.168 1.00 16.31 C HETATM 1219 C3D HEM A 155 15.760 25.028 29.860 1.00 17.34 C HETATM 1220 C4D HEM A 155 16.656 26.099 29.143 1.00 28.30 C HETATM 1221 CMD HEM A 155 15.172 24.404 32.325 1.00 9.55 C HETATM 1222 CAD HEM A 155 14.935 23.765 29.255 1.00 17.17 C HETATM 1223 CBD HEM A 155 15.874 22.747 28.894 1.00 21.34 C HETATM 1224 CGD HEM A 155 14.914 21.414 28.714 1.00 41.06 C HETATM 1225 O1D HEM A 155 14.150 20.957 29.663 1.00 38.18 O HETATM 1226 O2D HEM A 155 15.058 20.661 27.738 1.00 44.36 O HETATM 0 HMA1 HEM A 155 20.438 29.421 24.322 1.00 19.79 H new HETATM 0 HMA2 HEM A 155 19.607 28.357 23.494 1.00 19.79 H new HETATM 0 HMA3 HEM A 155 20.957 27.929 24.202 1.00 19.79 H new HETATM 0 HMB1 HEM A 155 23.080 31.860 26.637 1.00 6.41 H new HETATM 0 HMB2 HEM A 155 23.563 32.958 27.671 1.00 6.41 H new HETATM 0 HMB3 HEM A 155 22.313 33.242 26.740 1.00 6.41 H new HETATM 0 HMC1 HEM A 155 20.398 31.894 34.435 1.00 9.55 H new HETATM 0 HMC2 HEM A 155 19.712 31.102 35.623 1.00 9.55 H new HETATM 0 HMC3 HEM A 155 18.895 32.202 34.828 1.00 9.55 H new HETATM 0 HMD1 HEM A 155 15.729 24.422 33.119 1.00 9.55 H new HETATM 0 HMD2 HEM A 155 15.081 23.489 32.016 1.00 9.55 H new HETATM 0 HMD3 HEM A 155 14.296 24.762 32.536 1.00 9.55 H new HETATM 0 HBB1 HEM A 155 23.423 35.503 30.033 1.00 6.14 H new HETATM 0 HBB2 HEM A 155 22.998 34.755 28.590 1.00 6.14 H new HETATM 0 HBC1 HEM A 155 18.157 27.417 36.822 1.00 5.29 H new HETATM 0 HBC2 HEM A 155 19.308 27.381 35.599 1.00 5.29 H new HETATM 0 HBA1 HEM A 155 17.080 27.538 23.562 1.00 50.52 H new HETATM 0 HBA2 HEM A 155 15.944 27.056 24.516 1.00 50.52 H new HETATM 0 HAA1 HEM A 155 17.234 25.311 25.252 1.00 26.51 H new HETATM 0 HAA2 HEM A 155 18.339 25.640 24.202 1.00 26.51 H new HETATM 0 HBD1 HEM A 155 16.546 22.617 29.581 1.00 21.34 H new HETATM 0 HBD2 HEM A 155 16.345 22.965 28.074 1.00 21.34 H new HETATM 0 HAD1 HEM A 155 14.418 24.038 28.481 1.00 17.17 H new HETATM 0 HAD2 HEM A 155 14.306 23.427 29.911 1.00 17.17 H new HETATM 0 HHA HEM A 155 16.514 25.554 27.212 1.00 14.14 H new HETATM 0 HHB HEM A 155 21.228 30.158 26.271 1.00 10.76 H new HETATM 0 HHC HEM A 155 20.485 32.190 32.136 1.00 6.71 H new HETATM 0 HHD HEM A 155 16.936 26.801 33.294 1.00 14.08 H new HETATM 0 HAB HEM A 155 22.409 33.771 31.251 1.00 13.72 H new HETATM 0 HAC HEM A 155 17.027 28.952 35.727 1.00 14.02 H new HETATM 1227 O HOH A 156 25.975 15.098 29.302 1.00 12.43 O HETATM 1228 O HOH A 157 28.471 16.586 28.862 1.00 8.43 O HETATM 1229 O HOH A 158 23.375 45.014 27.521 1.00 20.76 O HETATM 1230 O HOH A 159 47.227 35.492 36.930 1.00 23.81 O HETATM 1231 O HOH A 160 24.932 36.705 21.971 1.00 21.58 O HETATM 1232 O HOH A 161 26.749 36.351 40.254 1.00 31.38 O HETATM 1233 O HOH A 162 26.474 19.286 41.886 1.00 36.88 O HETATM 1234 O HOH A 163 31.774 50.633 15.042 1.00 28.05 O HETATM 1235 O HOH A 164 29.384 38.931 17.633 1.00 28.73 O HETATM 1236 O HOH A 165 27.955 52.014 19.856 1.00 10.94 O HETATM 1237 O HOH A 166 19.349 45.339 20.038 1.00 30.59 O HETATM 1238 O HOH A 167 21.531 47.761 20.851 1.00 19.03 O HETATM 1239 O HOH A 168 21.997 47.030 23.407 1.00 26.77 O HETATM 1240 O HOH A 169 24.445 46.783 25.257 1.00 21.81 O HETATM 1241 O HOH A 170 21.688 48.341 29.197 1.00 24.25 O HETATM 1242 O HOH A 171 24.588 48.280 29.832 1.00 15.26 O HETATM 1243 O HOH A 172 25.736 47.972 32.195 1.00 17.03 O HETATM 1244 O HOH A 173 16.069 30.507 20.695 1.00 42.24 O HETATM 1245 O HOH A 174 34.386 20.141 22.188 1.00 37.97 O HETATM 1246 O HOH A 175 19.096 19.634 24.039 1.00 53.19 O HETATM 1247 O HOH A 176 30.512 38.841 40.105 1.00 23.14 O HETATM 1248 O HOH A 177 33.038 39.847 38.375 1.00 21.62 O HETATM 1249 O HOH A 178 42.415 26.164 36.158 1.00 46.35 O HETATM 1250 O HOH A 179 29.740 51.434 24.965 1.00 15.17 O HETATM 1251 O HOH A 180 23.326 39.614 17.612 1.00 36.08 O HETATM 1252 O HOH A 181 29.624 25.949 20.293 1.00 52.74 O HETATM 1253 O HOH A 182 40.858 45.632 34.766 1.00 44.43 O HETATM 1254 O HOH A 183 13.306 35.819 40.610 1.00 27.43 O HETATM 1255 O HOH A 184 22.702 41.493 34.149 1.00 28.51 O HETATM 1256 O HOH A 185 13.378 23.781 41.454 1.00 47.45 O HETATM 1257 O HOH A 186 17.073 42.966 31.955 1.00 34.45 O HETATM 1258 O HOH A 187 25.710 38.772 39.381 1.00 43.36 O HETATM 1259 O HOH A 188 17.426 21.614 25.735 1.00 41.22 O HETATM 1260 O HOH A 189 21.278 46.636 27.093 1.00 41.47 O HETATM 1261 O HOH A 190 29.466 44.525 33.830 1.00 40.78 O HETATM 1262 O HOH A 191 38.312 42.052 37.534 1.00 42.39 O HETATM 1263 O HOH A 192 44.280 37.919 30.929 1.00 36.56 O HETATM 1264 O HOH A 193 47.370 27.991 33.578 1.00 48.42 O HETATM 1265 O HOH A 194 37.987 49.209 21.184 1.00 45.43 O HETATM 1266 O HOH A 195 24.992 39.434 21.134 1.00 50.73 O HETATM 1267 O HOH A 196 25.492 23.578 20.749 1.00 40.89 O HETATM 1268 O HOH A 197 31.947 48.558 24.849 1.00 43.11 O HETATM 1269 O HOH A 198 21.840 9.910 34.947 1.00 36.08 O HETATM 1270 O HOH A 199 19.989 9.598 31.556 1.00 38.09 O HETATM 1271 O HOH A 200 18.359 11.828 30.947 1.00 49.04 O HETATM 1272 O HOH A 201 35.900 15.583 25.951 1.00 41.92 O HETATM 1273 O HOH A 202 40.126 23.816 26.811 1.00 43.60 O HETATM 1274 O HOH A 203 42.738 32.287 26.386 1.00 43.35 O HETATM 1275 O HOH A 204 42.263 34.775 19.262 1.00 46.53 O HETATM 1276 O HOH A 205 42.072 37.506 20.378 1.00 48.86 O HETATM 1277 O HOH A 206 42.748 30.935 22.475 1.00 36.51 O HETATM 1278 O HOH A 207 17.195 12.124 43.322 1.00 55.59 O HETATM 1279 O HOH A 208 27.057 38.495 16.108 1.00 45.39 O HETATM 1280 O HOH A 209 29.375 15.005 21.866 1.00 43.70 O HETATM 1281 O HOH A 210 23.330 37.791 37.477 1.00 44.56 O HETATM 1282 O HOH A 211 20.802 38.782 37.780 1.00 41.87 O HETATM 1283 O HOH A 212 36.971 34.804 35.464 1.00 37.27 O HETATM 1284 O HOH A 213 11.528 35.905 37.051 1.00 36.20 O HETATM 1285 O HOH A 214 24.093 39.451 35.242 1.00 36.66 O HETATM 1286 O HOH A 215 30.425 27.416 22.776 1.00 37.47 O HETATM 1287 O HOH A 216 36.072 23.661 33.466 1.00 44.96 O HETATM 1288 O HOH A 217 27.931 51.342 36.175 1.00 40.84 O HETATM 1289 O HOH A 218 46.498 37.311 29.967 1.00 33.89 O HETATM 1290 O HOH A 219 20.496 15.374 37.312 1.00 32.36 O HETATM 1291 O HOH A 220 45.547 42.283 24.651 1.00 32.66 O HETATM 1292 O HOH A 221 43.935 49.507 24.167 1.00 36.61 O CONECT 746 1184 CONECT 1182 1183 1184 CONECT 1183 1182 CONECT 1184 746 1182 1189 1200 CONECT 1184 1208 1216 CONECT 1185 1190 1220 CONECT 1186 1193 1201 CONECT 1187 1204 1209 CONECT 1188 1212 1217 CONECT 1189 1184 1190 1193 CONECT 1190 1185 1189 1191 CONECT 1191 1190 1192 1195 CONECT 1192 1191 1193 1194 CONECT 1193 1186 1189 1192 CONECT 1194 1192 CONECT 1195 1191 1196 CONECT 1196 1195 1197 CONECT 1197 1196 1198 1199 CONECT 1198 1197 CONECT 1199 1197 CONECT 1200 1184 1201 1204 CONECT 1201 1186 1200 1202 CONECT 1202 1201 1203 1205 CONECT 1203 1202 1204 1206 CONECT 1204 1187 1200 1203 CONECT 1205 1202 CONECT 1206 1203 1207 CONECT 1207 1206 CONECT 1208 1184 1209 1212 CONECT 1209 1187 1208 1210 CONECT 1210 1209 1211 1213 CONECT 1211 1210 1212 1214 CONECT 1212 1188 1208 1211 CONECT 1213 1210 CONECT 1214 1211 1215 CONECT 1215 1214 CONECT 1216 1184 1217 1220 CONECT 1217 1188 1216 1218 CONECT 1218 1217 1219 1221 CONECT 1219 1218 1220 1222 CONECT 1220 1185 1216 1219 CONECT 1221 1218 CONECT 1222 1219 1223 CONECT 1223 1222 1224 CONECT 1224 1223 1225 1226 CONECT 1225 1224 CONECT 1226 1224 END