USER MOD reduce.3.24.130724 H: found=0, std=0, add=1236, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER OXYGEN TRANSPORT 23-APR-82 2LH3 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 2LH3 1 VERSN REVDAT 2 30-SEP-83 2LH3 1 REVDAT REVDAT 1 20-JAN-83 2LH3 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 2LH3 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 = 7.59 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 177.3 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 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 2LH3 A 1 153 UNP P02240 LGB2_LUPLU 1 153 SEQADV 2LH3 GLU A 79 UNP P02240 GLN 79 CONFLICT SEQADV 2LH3 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 FE HEM A 155 C CYN A 154 1555 1555 2.28 LINK NE2 HIS A 97 FE HEM A 155 1555 1555 2.18 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= 0.359 K(o=1.6,f=-5.2!) USER MOD Set 1.2: A 132 SER OG A: rot -27:sc= 1.21 USER MOD Set 2.1: A 86 THR OG1 : rot 180:sc= -0.0048 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= 0.821 USER MOD Set 4.2: A 6 SER OG : rot 180:sc= 0.466 USER MOD Single : A 1 GLY N :NH3+ -167:sc= -0.0268 (180deg=-0.22) USER MOD Single : A 13 SER OG : rot 59:sc= 0.00953 USER MOD Single : A 14 SER OG : rot -13:sc= 0.918 USER MOD Single : A 19 ASN : amide:sc= 1.04 K(o=1,f=-0.43) USER MOD Single : A 21 ASN :FLIP amide:sc= -1 F(o=-3.8!,f=-1) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS :FLIP no HE2:sc= -0.151 F(o=-1,f=-0.15) USER MOD Single : A 26 THR OG1 : rot -75:sc= 1.03 USER MOD Single : A 27 HIS : no HD1:sc= -0.5 X(o=-0.5,f=-0.19) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -83:sc= 0.0367 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -71:sc= 1.76 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.117 K(o=-0.12,f=-1.8!) USER MOD Single : A 56 ASN : amide:sc= -0.094 X(o=-0.094,f=-0.42) USER MOD Single : A 57 ASN : amide:sc= -1.9! C(o=-1.9!,f=-7.9!) USER MOD Single : A 61 GLN :FLIP amide:sc= -0.0881 F(o=-2.1!,f=-0.088) USER MOD Single : A 63 HIS : no HD1:sc= -2.35! C(o=-2.3!,f=-4.8!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN :FLIP amide:sc= 0.392 F(o=-2.6!,f=0.39) USER MOD Single : A 81 THR OG1 : rot -45:sc= 1.42 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00456 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.533 X(o=-0.53,f=-0.05) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 68:sc= 0.0253 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= 1.03 K(o=1,f=-5.7!) USER MOD Single : A 111 LYS NZ :NH3+ 172:sc= 0.914 (180deg=0.878) USER MOD Single : A 116 LYS NZ :NH3+ 136:sc= -0.477 (180deg=-2.36!) USER MOD Single : A 117 THR OG1 : rot 73:sc= 0.767 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 150:sc= 0.0891 (180deg=-0.538) USER MOD Single : A 127 SER OG : rot -94:sc= 1.54 USER MOD Single : A 131 ASN : amide:sc= 0.271 X(o=0.27,f=0.61) USER MOD Single : A 132 SER OG B: rot 71:sc= 1.29 USER MOD Single : A 132 SER OG C: rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot 85:sc= 2.07 USER MOD Single : A 138 TYR OH : rot -39:sc= 0.593 USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 MET CE :methyl 153:sc= -0.286 (180deg=-1.45!) USER MOD Single : A 155 HEM CMA :methyl -30:sc= -0.349 (180deg=-1.66!) USER MOD Single : A 155 HEM CMB :methyl -30:sc= -0.753 (180deg=-2.92!) USER MOD Single : A 155 HEM CMC :methyl -30:sc= -0.485 (180deg=-2.2) USER MOD Single : A 155 HEM CMD :methyl 150:sc= -0.516 (180deg=-0.516) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 35.700 49.276 32.320 1.00 67.33 N ATOM 2 CA GLY A 1 36.781 48.838 31.511 1.00 64.64 C ATOM 3 C GLY A 1 36.597 49.064 30.019 1.00 68.26 C ATOM 4 O GLY A 1 37.615 49.268 29.268 0.00 0.00 O ATOM 0 H1 GLY A 1 35.953 49.286 33.173 1.00 67.33 H new ATOM 0 H2 GLY A 1 35.457 50.096 32.073 1.00 67.33 H new ATOM 0 H3 GLY A 1 35.011 48.721 32.222 1.00 67.33 H new ATOM 0 HA2 GLY A 1 37.588 49.295 31.797 1.00 64.64 H new ATOM 0 HA3 GLY A 1 36.921 47.891 31.666 1.00 64.64 H new ATOM 5 N ALA A 2 35.331 49.119 29.668 1.00 71.33 N ATOM 6 CA ALA A 2 34.808 49.414 28.344 1.00 61.44 C ATOM 7 C ALA A 2 34.651 48.244 27.354 1.00 47.12 C ATOM 8 O ALA A 2 33.669 48.123 26.560 1.00 55.83 O ATOM 9 CB ALA A 2 35.622 50.685 27.693 0.00 0.00 C ATOM 0 H ALA A 2 34.703 48.975 30.237 1.00 71.33 H new ATOM 0 HA ALA A 2 33.880 49.647 28.502 1.00 61.44 H new ATOM 0 HB1 ALA A 2 35.269 50.877 26.810 0.00 0.00 H new ATOM 0 HB2 ALA A 2 35.514 51.464 28.261 0.00 0.00 H new ATOM 0 HB3 ALA A 2 36.564 50.465 27.623 0.00 0.00 H new ATOM 10 N LEU A 3 35.724 47.638 27.231 1.00 56.04 N ATOM 11 CA LEU A 3 36.009 46.733 26.139 1.00 30.14 C ATOM 12 C LEU A 3 36.952 47.444 25.082 1.00 34.81 C ATOM 13 O LEU A 3 36.531 47.853 23.995 1.00 29.81 O ATOM 14 CB LEU A 3 34.806 45.763 25.556 1.00 34.51 C ATOM 15 CG LEU A 3 34.518 44.467 26.403 1.00 33.15 C ATOM 16 CD1 LEU A 3 32.998 44.030 26.665 1.00 45.81 C ATOM 17 CD2 LEU A 3 35.177 43.319 25.783 1.00 35.20 C ATOM 0 H LEU A 3 36.373 47.716 27.790 1.00 56.04 H new ATOM 0 HA LEU A 3 36.506 46.001 26.537 1.00 30.14 H new ATOM 0 HB2 LEU A 3 33.989 46.283 25.500 1.00 34.51 H new ATOM 0 HB3 LEU A 3 35.035 45.497 24.652 1.00 34.51 H new ATOM 0 HG LEU A 3 34.861 44.723 27.274 1.00 33.15 H new ATOM 0 HD11 LEU A 3 32.981 43.219 27.197 1.00 45.81 H new ATOM 0 HD12 LEU A 3 32.535 44.738 27.140 1.00 45.81 H new ATOM 0 HD13 LEU A 3 32.557 43.868 25.816 1.00 45.81 H new ATOM 0 HD21 LEU A 3 34.999 42.522 26.306 1.00 35.20 H new ATOM 0 HD22 LEU A 3 34.837 43.198 24.883 1.00 35.20 H new ATOM 0 HD23 LEU A 3 36.134 43.475 25.748 1.00 35.20 H new ATOM 18 N THR A 4 38.215 47.513 25.441 1.00 19.21 N ATOM 19 CA THR A 4 39.362 48.004 24.596 1.00 27.72 C ATOM 20 C THR A 4 39.670 46.872 23.690 1.00 17.70 C ATOM 21 O THR A 4 39.164 45.665 23.932 1.00 21.21 O ATOM 22 CB THR A 4 40.603 48.411 25.491 1.00 35.90 C ATOM 23 OG1 THR A 4 41.050 47.199 25.954 1.00 39.53 O ATOM 24 CG2 THR A 4 40.268 49.277 26.684 1.00 26.90 C ATOM 0 H THR A 4 38.472 47.267 26.224 1.00 19.21 H new ATOM 0 HA THR A 4 39.140 48.807 24.099 1.00 27.72 H new ATOM 0 HB THR A 4 41.232 48.936 24.972 1.00 35.90 H new ATOM 0 HG1 THR A 4 41.886 47.160 25.877 1.00 39.53 H new ATOM 0 HG21 THR A 4 41.080 49.479 27.175 1.00 26.90 H new ATOM 0 HG22 THR A 4 39.860 50.103 26.380 1.00 26.90 H new ATOM 0 HG23 THR A 4 39.649 48.805 27.263 1.00 26.90 H new ATOM 25 N GLU A 5 40.436 47.270 22.671 1.00 13.76 N ATOM 26 CA GLU A 5 40.823 46.330 21.690 1.00 18.20 C ATOM 27 C GLU A 5 41.567 45.275 22.336 1.00 29.88 C ATOM 28 O GLU A 5 41.337 44.068 21.943 1.00 26.20 O ATOM 29 CB GLU A 5 41.692 47.146 20.607 1.00 31.62 C ATOM 30 CG GLU A 5 41.866 46.310 19.344 1.00 58.59 C ATOM 31 CD GLU A 5 42.326 47.286 18.200 1.00 66.32 C ATOM 32 OE1 GLU A 5 41.467 47.888 17.633 1.00 55.75 O ATOM 33 OE2 GLU A 5 43.560 47.760 18.080 1.00 57.17 O ATOM 0 H GLU A 5 40.725 48.071 22.552 1.00 13.76 H new ATOM 0 HA GLU A 5 40.075 45.907 21.240 1.00 18.20 H new ATOM 0 HB2 GLU A 5 41.252 47.983 20.392 1.00 31.62 H new ATOM 0 HB3 GLU A 5 42.560 47.369 20.979 1.00 31.62 H new ATOM 0 HG2 GLU A 5 42.525 45.612 19.484 1.00 58.59 H new ATOM 0 HG3 GLU A 5 41.034 45.872 19.106 1.00 58.59 H new ATOM 34 N SER A 6 42.263 45.673 23.423 1.00 24.30 N ATOM 35 CA SER A 6 42.959 44.731 24.178 1.00 12.63 C ATOM 36 C SER A 6 42.002 43.747 25.029 1.00 11.40 C ATOM 37 O SER A 6 42.159 42.526 25.072 1.00 18.44 O ATOM 38 CB SER A 6 44.097 45.463 25.065 1.00 16.32 C ATOM 39 OG SER A 6 43.526 45.958 26.244 1.00 52.59 O ATOM 0 H SER A 6 42.319 46.484 23.703 1.00 24.30 H new ATOM 0 HA SER A 6 43.408 44.131 23.562 1.00 12.63 H new ATOM 0 HB2 SER A 6 44.808 44.837 25.277 1.00 16.32 H new ATOM 0 HB3 SER A 6 44.498 46.187 24.560 1.00 16.32 H new ATOM 0 HG SER A 6 44.118 46.337 26.705 1.00 52.59 H new ATOM 40 N GLN A 7 41.017 44.254 25.628 1.00 8.34 N ATOM 41 CA GLN A 7 40.005 43.380 26.420 1.00 14.09 C ATOM 42 C GLN A 7 39.207 42.302 25.540 1.00 14.53 C ATOM 43 O GLN A 7 38.937 41.103 25.950 1.00 19.78 O ATOM 44 CB GLN A 7 39.008 44.186 27.113 1.00 13.29 C ATOM 45 CG GLN A 7 39.620 44.900 28.385 1.00 21.45 C ATOM 46 CD GLN A 7 38.599 45.710 28.991 1.00 32.54 C ATOM 47 OE1 GLN A 7 38.229 46.643 28.310 1.00 34.21 O ATOM 48 NE2 GLN A 7 38.525 45.655 30.311 1.00 39.26 N ATOM 0 H GLN A 7 40.843 45.096 25.638 1.00 8.34 H new ATOM 0 HA GLN A 7 40.574 42.904 27.045 1.00 14.09 H new ATOM 0 HB2 GLN A 7 38.652 44.854 26.506 1.00 13.29 H new ATOM 0 HB3 GLN A 7 38.266 43.623 27.383 1.00 13.29 H new ATOM 0 HG2 GLN A 7 39.946 44.240 29.017 1.00 21.45 H new ATOM 0 HG3 GLN A 7 40.379 45.449 28.131 1.00 21.45 H new ATOM 0 HE21 GLN A 7 38.808 44.959 30.729 1.00 39.26 H new ATOM 0 HE22 GLN A 7 38.194 46.316 30.751 1.00 39.26 H new ATOM 49 N ALA A 8 38.916 42.731 24.350 1.00 18.20 N ATOM 50 CA ALA A 8 38.154 41.822 23.378 1.00 35.86 C ATOM 51 C ALA A 8 38.959 40.736 22.908 1.00 30.98 C ATOM 52 O ALA A 8 38.386 39.532 22.779 1.00 19.47 O ATOM 53 CB ALA A 8 37.735 42.622 22.171 1.00 17.94 C ATOM 0 H ALA A 8 39.119 43.509 24.044 1.00 18.20 H new ATOM 0 HA ALA A 8 37.392 41.466 23.861 1.00 35.86 H new ATOM 0 HB1 ALA A 8 37.253 42.049 21.554 1.00 17.94 H new ATOM 0 HB2 ALA A 8 37.161 43.352 22.450 1.00 17.94 H new ATOM 0 HB3 ALA A 8 38.522 42.980 21.731 1.00 17.94 H new ATOM 54 N ALA A 9 40.267 41.154 22.761 1.00 24.53 N ATOM 55 CA ALA A 9 41.190 40.226 22.357 1.00 17.90 C ATOM 56 C ALA A 9 41.276 39.151 23.419 1.00 22.87 C ATOM 57 O ALA A 9 41.307 37.944 23.084 1.00 24.17 O ATOM 58 CB ALA A 9 42.613 41.009 22.100 1.00 15.94 C ATOM 0 H ALA A 9 40.562 41.950 22.900 1.00 24.53 H new ATOM 0 HA ALA A 9 40.945 39.788 21.527 1.00 17.90 H new ATOM 0 HB1 ALA A 9 43.286 40.372 21.812 1.00 15.94 H new ATOM 0 HB2 ALA A 9 42.492 41.683 21.413 1.00 15.94 H new ATOM 0 HB3 ALA A 9 42.902 41.434 22.923 1.00 15.94 H new ATOM 59 N LEU A 10 41.195 39.579 24.655 1.00 18.74 N ATOM 60 CA LEU A 10 41.196 38.657 25.792 1.00 18.63 C ATOM 61 C LEU A 10 39.892 37.654 25.877 1.00 16.89 C ATOM 62 O LEU A 10 39.954 36.438 26.149 1.00 11.80 O ATOM 63 CB LEU A 10 41.442 39.432 27.118 1.00 20.12 C ATOM 64 CG LEU A 10 42.916 40.140 27.245 1.00 20.87 C ATOM 65 CD1 LEU A 10 43.107 41.051 28.491 1.00 27.20 C ATOM 66 CD2 LEU A 10 43.905 39.103 27.252 1.00 23.88 C ATOM 0 H LEU A 10 41.137 40.409 24.872 1.00 18.74 H new ATOM 0 HA LEU A 10 41.938 38.050 25.643 1.00 18.63 H new ATOM 0 HB2 LEU A 10 40.761 40.117 27.208 1.00 20.12 H new ATOM 0 HB3 LEU A 10 41.328 38.819 27.861 1.00 20.12 H new ATOM 0 HG LEU A 10 43.006 40.735 26.484 1.00 20.87 H new ATOM 0 HD11 LEU A 10 44.002 41.425 28.484 1.00 27.20 H new ATOM 0 HD12 LEU A 10 42.456 41.770 28.469 1.00 27.20 H new ATOM 0 HD13 LEU A 10 42.982 40.527 29.298 1.00 27.20 H new ATOM 0 HD21 LEU A 10 44.788 39.498 27.327 1.00 23.88 H new ATOM 0 HD22 LEU A 10 43.750 38.513 28.006 1.00 23.88 H new ATOM 0 HD23 LEU A 10 43.847 38.595 26.428 1.00 23.88 H new ATOM 67 N VAL A 11 38.769 38.131 25.583 1.00 15.54 N ATOM 68 CA VAL A 11 37.483 37.200 25.573 1.00 15.35 C ATOM 69 C VAL A 11 37.454 36.161 24.454 1.00 23.80 C ATOM 70 O VAL A 11 37.075 34.930 24.702 1.00 20.13 O ATOM 71 CB VAL A 11 36.249 37.949 25.487 1.00 13.24 C ATOM 72 CG1 VAL A 11 34.907 36.972 25.300 1.00 8.63 C ATOM 73 CG2 VAL A 11 36.164 38.841 26.724 1.00 12.02 C ATOM 0 H VAL A 11 38.625 38.954 25.377 1.00 15.54 H new ATOM 0 HA VAL A 11 37.551 36.740 26.425 1.00 15.35 H new ATOM 0 HB VAL A 11 36.255 38.497 24.687 1.00 13.24 H new ATOM 0 HG11 VAL A 11 34.110 37.523 25.248 1.00 8.63 H new ATOM 0 HG12 VAL A 11 34.995 36.454 24.485 1.00 8.63 H new ATOM 0 HG13 VAL A 11 34.835 36.372 26.058 1.00 8.63 H new ATOM 0 HG21 VAL A 11 35.344 39.358 26.695 1.00 12.02 H new ATOM 0 HG22 VAL A 11 36.170 38.289 27.522 1.00 12.02 H new ATOM 0 HG23 VAL A 11 36.924 39.443 26.742 1.00 12.02 H new ATOM 74 N LYS A 12 37.973 36.632 23.303 1.00 21.89 N ATOM 75 CA LYS A 12 37.984 35.741 22.143 1.00 11.53 C ATOM 76 C LYS A 12 38.857 34.641 22.343 1.00 11.94 C ATOM 77 O LYS A 12 38.378 33.428 22.103 1.00 16.98 O ATOM 78 CB LYS A 12 38.407 36.539 20.854 1.00 18.87 C ATOM 79 CG LYS A 12 38.277 35.579 19.643 1.00 26.76 C ATOM 80 CD LYS A 12 38.458 36.324 18.297 1.00 38.90 C ATOM 81 CE LYS A 12 38.411 35.310 17.133 1.00 42.24 C ATOM 82 NZ LYS A 12 37.200 34.278 17.245 0.00 0.00 N ATOM 0 H LYS A 12 38.303 37.417 23.182 1.00 21.89 H new ATOM 0 HA LYS A 12 37.087 35.392 22.025 1.00 11.53 H new ATOM 0 HB2 LYS A 12 37.840 37.317 20.734 1.00 18.87 H new ATOM 0 HB3 LYS A 12 39.318 36.861 20.937 1.00 18.87 H new ATOM 0 HG2 LYS A 12 38.941 34.875 19.715 1.00 26.76 H new ATOM 0 HG3 LYS A 12 37.407 35.151 19.661 1.00 26.76 H new ATOM 0 HD2 LYS A 12 37.759 36.988 18.188 1.00 38.90 H new ATOM 0 HD3 LYS A 12 39.304 36.799 18.291 1.00 38.90 H new ATOM 0 HE2 LYS A 12 38.340 35.793 16.295 1.00 42.24 H new ATOM 0 HE3 LYS A 12 39.246 34.818 17.107 1.00 42.24 H new ATOM 0 HZ1 LYS A 12 37.221 33.720 16.552 0.00 0.00 H new ATOM 0 HZ2 LYS A 12 37.273 33.815 18.001 0.00 0.00 H new ATOM 0 HZ3 LYS A 12 36.429 34.723 17.244 0.00 0.00 H new ATOM 83 N SER A 13 40.055 35.054 22.863 1.00 7.37 N ATOM 84 CA SER A 13 41.000 34.111 23.149 1.00 12.60 C ATOM 85 C SER A 13 40.467 33.024 24.172 1.00 24.72 C ATOM 86 O SER A 13 40.607 31.810 23.980 1.00 13.23 O ATOM 87 CB SER A 13 42.335 34.894 23.670 1.00 5.10 C ATOM 88 OG SER A 13 43.263 33.956 23.861 1.00 48.45 O ATOM 0 H SER A 13 40.274 35.869 23.030 1.00 7.37 H new ATOM 0 HA SER A 13 41.222 33.601 22.354 1.00 12.60 H new ATOM 0 HB2 SER A 13 42.631 35.547 23.017 1.00 5.10 H new ATOM 0 HB3 SER A 13 42.155 35.377 24.492 1.00 5.10 H new ATOM 0 HG SER A 13 43.399 33.546 23.141 1.00 48.45 H new ATOM 89 N SER A 14 39.908 33.457 25.247 1.00 21.53 N ATOM 90 CA SER A 14 39.375 32.518 26.318 1.00 10.70 C ATOM 91 C SER A 14 38.093 31.606 25.878 1.00 12.10 C ATOM 92 O SER A 14 37.839 30.404 26.276 1.00 13.21 O ATOM 93 CB SER A 14 39.075 33.287 27.588 1.00 18.07 C ATOM 94 OG SER A 14 38.100 34.147 27.293 1.00 20.97 O ATOM 0 H SER A 14 39.802 34.291 25.426 1.00 21.53 H new ATOM 0 HA SER A 14 40.088 31.879 26.470 1.00 10.70 H new ATOM 0 HB2 SER A 14 38.801 32.686 28.298 1.00 18.07 H new ATOM 0 HB3 SER A 14 39.864 33.755 27.902 1.00 18.07 H new ATOM 0 HG SER A 14 38.006 34.189 26.459 1.00 20.97 H new ATOM 95 N TRP A 15 37.387 32.129 24.970 1.00 14.58 N ATOM 96 CA TRP A 15 36.197 31.307 24.397 1.00 21.10 C ATOM 97 C TRP A 15 36.586 30.219 23.470 1.00 28.14 C ATOM 98 O TRP A 15 35.926 29.039 23.480 1.00 10.19 O ATOM 99 CB TRP A 15 35.297 32.195 23.674 1.00 15.28 C ATOM 100 CG TRP A 15 34.049 31.303 23.086 1.00 39.87 C ATOM 101 CD1 TRP A 15 32.940 30.648 23.705 1.00 28.42 C ATOM 102 CD2 TRP A 15 33.899 30.940 21.742 1.00 18.55 C ATOM 103 NE1 TRP A 15 32.095 29.893 22.758 1.00 27.82 N ATOM 104 CE2 TRP A 15 32.658 30.073 21.615 1.00 37.36 C ATOM 105 CE3 TRP A 15 34.747 31.289 20.665 1.00 12.34 C ATOM 106 CZ2 TRP A 15 32.197 29.531 20.398 1.00 33.08 C ATOM 107 CZ3 TRP A 15 34.288 30.737 19.442 1.00 44.98 C ATOM 108 CH2 TRP A 15 33.049 29.889 19.313 1.00 56.69 C ATOM 0 H TRP A 15 37.503 32.911 24.632 1.00 14.58 H new ATOM 0 HA TRP A 15 35.778 30.894 25.168 1.00 21.10 H new ATOM 0 HB2 TRP A 15 34.966 32.892 24.262 1.00 15.28 H new ATOM 0 HB3 TRP A 15 35.768 32.635 22.949 1.00 15.28 H new ATOM 0 HD1 TRP A 15 32.767 30.693 24.618 1.00 28.42 H new ATOM 0 HE1 TRP A 15 31.387 29.436 22.931 1.00 27.82 H new ATOM 0 HE3 TRP A 15 35.510 31.814 20.748 1.00 12.34 H new ATOM 0 HZ2 TRP A 15 31.434 29.006 20.314 1.00 33.08 H new ATOM 0 HZ3 TRP A 15 34.782 30.909 18.673 1.00 44.98 H new ATOM 0 HH2 TRP A 15 32.825 29.577 18.466 1.00 56.69 H new ATOM 109 N GLU A 16 37.707 30.573 22.786 1.00 19.70 N ATOM 110 CA GLU A 16 38.207 29.560 21.948 1.00 28.26 C ATOM 111 C GLU A 16 38.709 28.454 22.773 1.00 30.82 C ATOM 112 O GLU A 16 38.308 27.237 22.469 1.00 22.43 O ATOM 113 CB GLU A 16 39.280 30.215 20.948 1.00 21.85 C ATOM 114 CG GLU A 16 38.655 31.089 19.922 1.00 30.80 C ATOM 115 CD GLU A 16 39.771 31.816 19.028 1.00 45.83 C ATOM 116 OE1 GLU A 16 40.949 32.113 19.491 1.00 46.38 O ATOM 117 OE2 GLU A 16 39.451 32.454 18.026 1.00 47.30 O ATOM 0 H GLU A 16 38.127 31.323 22.811 1.00 19.70 H new ATOM 0 HA GLU A 16 37.521 29.167 21.387 1.00 28.26 H new ATOM 0 HB2 GLU A 16 39.920 30.733 21.461 1.00 21.85 H new ATOM 0 HB3 GLU A 16 39.776 29.509 20.506 1.00 21.85 H new ATOM 0 HG2 GLU A 16 38.074 30.561 19.353 1.00 30.80 H new ATOM 0 HG3 GLU A 16 38.099 31.755 20.355 1.00 30.80 H new ATOM 118 N GLU A 17 39.343 28.854 23.903 1.00 12.42 N ATOM 119 CA GLU A 17 39.700 27.853 24.858 1.00 5.18 C ATOM 120 C GLU A 17 38.474 26.919 25.404 1.00 16.86 C ATOM 121 O GLU A 17 38.540 25.684 25.550 1.00 17.37 O ATOM 122 CB GLU A 17 40.541 28.491 26.043 1.00 7.36 C ATOM 123 CG GLU A 17 42.045 28.892 25.685 1.00 33.58 C ATOM 124 CD GLU A 17 42.838 29.108 26.991 1.00 48.42 C ATOM 125 OE1 GLU A 17 43.274 28.116 27.512 1.00 45.51 O ATOM 126 OE2 GLU A 17 42.596 30.039 27.750 1.00 46.20 O ATOM 0 H GLU A 17 39.554 29.663 24.104 1.00 12.42 H new ATOM 0 HA GLU A 17 40.255 27.225 24.371 1.00 5.18 H new ATOM 0 HB2 GLU A 17 40.078 29.284 26.356 1.00 7.36 H new ATOM 0 HB3 GLU A 17 40.558 27.862 26.781 1.00 7.36 H new ATOM 0 HG2 GLU A 17 42.459 28.194 25.154 1.00 33.58 H new ATOM 0 HG3 GLU A 17 42.057 29.701 25.149 1.00 33.58 H new ATOM 127 N PHE A 18 37.396 27.485 25.654 1.00 21.16 N ATOM 128 CA PHE A 18 36.127 26.694 26.141 1.00 9.85 C ATOM 129 C PHE A 18 35.567 25.633 25.106 1.00 12.52 C ATOM 130 O PHE A 18 35.152 24.421 25.418 1.00 17.41 O ATOM 131 CB PHE A 18 35.080 27.651 26.420 1.00 11.74 C ATOM 132 CG PHE A 18 33.661 26.899 26.789 1.00 15.12 C ATOM 133 CD1 PHE A 18 33.382 26.474 28.083 1.00 19.58 C ATOM 134 CD2 PHE A 18 32.671 26.638 25.822 1.00 20.71 C ATOM 135 CE1 PHE A 18 32.114 25.772 28.410 1.00 17.44 C ATOM 136 CE2 PHE A 18 31.403 25.932 26.140 1.00 13.99 C ATOM 137 CZ PHE A 18 31.126 25.496 27.436 1.00 8.76 C ATOM 0 H PHE A 18 37.274 28.333 25.579 1.00 21.16 H new ATOM 0 HA PHE A 18 36.402 26.191 26.923 1.00 9.85 H new ATOM 0 HB2 PHE A 18 35.348 28.220 27.158 1.00 11.74 H new ATOM 0 HB3 PHE A 18 34.952 28.227 25.650 1.00 11.74 H new ATOM 0 HD1 PHE A 18 34.002 26.632 28.758 1.00 19.58 H new ATOM 0 HD2 PHE A 18 32.817 26.919 24.948 1.00 20.71 H new ATOM 0 HE1 PHE A 18 31.964 25.504 29.288 1.00 17.44 H new ATOM 0 HE2 PHE A 18 30.783 25.778 25.464 1.00 13.99 H new ATOM 0 HZ PHE A 18 30.338 25.050 27.647 1.00 8.76 H new ATOM 138 N ASN A 19 35.532 26.102 23.895 1.00 19.94 N ATOM 139 CA ASN A 19 34.885 25.257 22.820 1.00 14.69 C ATOM 140 C ASN A 19 35.693 24.137 22.453 1.00 23.87 C ATOM 141 O ASN A 19 35.179 23.161 21.734 1.00 27.20 O ATOM 142 CB ASN A 19 34.759 26.162 21.601 1.00 17.56 C ATOM 143 CG ASN A 19 33.414 25.681 20.916 1.00 35.14 C ATOM 144 OD1 ASN A 19 32.342 25.836 21.512 1.00 39.45 O ATOM 145 ND2 ASN A 19 33.507 25.557 19.612 1.00 44.50 N ATOM 0 H ASN A 19 35.847 26.861 23.641 1.00 19.94 H new ATOM 0 HA ASN A 19 34.037 24.913 23.143 1.00 14.69 H new ATOM 0 HB2 ASN A 19 34.716 27.097 21.854 1.00 17.56 H new ATOM 0 HB3 ASN A 19 35.518 26.065 21.005 1.00 17.56 H new ATOM 0 HD21 ASN A 19 32.798 25.582 19.126 1.00 44.50 H new ATOM 0 HD22 ASN A 19 34.277 25.451 19.244 1.00 44.50 H new ATOM 146 N ALA A 20 36.929 24.292 22.958 1.00 20.69 N ATOM 147 CA ALA A 20 37.858 23.331 22.685 1.00 11.76 C ATOM 148 C ALA A 20 37.477 22.010 23.440 1.00 28.05 C ATOM 149 O ALA A 20 37.971 20.981 23.097 1.00 28.67 O ATOM 150 CB ALA A 20 39.331 23.929 23.030 1.00 28.65 C ATOM 0 H ALA A 20 37.195 24.949 23.445 1.00 20.69 H new ATOM 0 HA ALA A 20 37.877 23.089 21.746 1.00 11.76 H new ATOM 0 HB1 ALA A 20 40.005 23.258 22.841 1.00 28.65 H new ATOM 0 HB2 ALA A 20 39.497 24.715 22.486 1.00 28.65 H new ATOM 0 HB3 ALA A 20 39.370 24.171 23.968 1.00 28.65 H new ATOM 151 N ASN A 21 36.624 22.042 24.431 1.00 17.03 N ATOM 152 CA ASN A 21 36.154 20.813 25.207 1.00 14.11 C ATOM 153 C ASN A 21 34.741 20.778 25.779 1.00 10.88 C ATOM 154 O ASN A 21 34.555 20.708 27.020 1.00 16.63 O ATOM 155 CB ASN A 21 37.158 20.609 26.323 1.00 5.26 C ATOM 156 CG ASN A 21 36.965 19.121 26.728 1.00 8.59 C ATOM 157 OD1 ASN A 21 35.857 18.369 26.298 1.00 30.84 O flip ATOM 158 ND2 ASN A 21 37.830 18.696 27.457 1.00 12.46 N flip ATOM 0 H ASN A 21 36.269 22.773 24.711 1.00 17.03 H new ATOM 0 HA ASN A 21 36.106 20.105 24.546 1.00 14.11 H new ATOM 0 HB2 ASN A 21 38.064 20.782 26.023 1.00 5.26 H new ATOM 0 HB3 ASN A 21 36.988 21.206 27.068 1.00 5.26 H new ATOM 0 HD21 ASN A 21 38.486 19.203 27.687 1.00 12.46 H new ATOM 0 HD22 ASN A 21 37.790 17.887 27.745 1.00 12.46 H new ATOM 159 N ILE A 22 33.808 20.840 24.873 1.00 9.67 N ATOM 160 CA ILE A 22 32.359 20.733 25.165 1.00 10.88 C ATOM 161 C ILE A 22 31.834 19.637 26.174 1.00 5.15 C ATOM 162 O ILE A 22 31.284 20.012 27.203 1.00 11.66 O ATOM 163 CB ILE A 22 31.468 20.623 23.896 1.00 12.76 C ATOM 164 CG1 ILE A 22 31.716 21.934 23.056 1.00 22.83 C ATOM 165 CG2 ILE A 22 29.948 20.166 24.198 1.00 11.45 C ATOM 166 CD1 ILE A 22 31.223 23.142 23.758 1.00 22.73 C ATOM 0 H ILE A 22 33.979 20.949 24.037 1.00 9.67 H new ATOM 0 HA ILE A 22 32.270 21.583 25.625 1.00 10.88 H new ATOM 0 HB ILE A 22 31.721 19.877 23.330 1.00 12.76 H new ATOM 0 HG12 ILE A 22 32.665 22.029 22.878 1.00 22.83 H new ATOM 0 HG13 ILE A 22 31.272 21.856 22.197 1.00 22.83 H new ATOM 0 HG21 ILE A 22 29.453 20.119 23.365 1.00 11.45 H new ATOM 0 HG22 ILE A 22 29.950 19.294 24.622 1.00 11.45 H new ATOM 0 HG23 ILE A 22 29.527 20.811 24.788 1.00 11.45 H new ATOM 0 HD11 ILE A 22 31.393 23.926 23.212 1.00 22.73 H new ATOM 0 HD12 ILE A 22 30.270 23.058 23.916 1.00 22.73 H new ATOM 0 HD13 ILE A 22 31.684 23.234 24.607 1.00 22.73 H new ATOM 167 N PRO A 23 32.047 18.373 26.000 1.00 17.25 N ATOM 168 CA PRO A 23 31.487 17.315 26.952 1.00 14.69 C ATOM 169 C PRO A 23 31.995 17.577 28.378 1.00 23.07 C ATOM 170 O PRO A 23 31.158 17.432 29.324 1.00 21.26 O ATOM 171 CB PRO A 23 31.802 15.949 26.442 1.00 21.89 C ATOM 172 CG PRO A 23 32.396 16.209 25.039 1.00 19.06 C ATOM 173 CD PRO A 23 32.564 17.745 24.801 1.00 11.01 C ATOM 0 HA PRO A 23 30.519 17.372 26.990 1.00 14.69 H new ATOM 0 HB2 PRO A 23 32.435 15.491 27.017 1.00 21.89 H new ATOM 0 HB3 PRO A 23 31.008 15.394 26.395 1.00 21.89 H new ATOM 0 HG2 PRO A 23 33.255 15.766 24.957 1.00 19.06 H new ATOM 0 HG3 PRO A 23 31.816 15.831 24.360 1.00 19.06 H new ATOM 0 HD2 PRO A 23 33.495 17.978 24.657 1.00 11.01 H new ATOM 0 HD3 PRO A 23 32.074 18.034 24.015 1.00 11.01 H new ATOM 174 N LYS A 24 33.266 18.130 28.514 1.00 15.32 N ATOM 175 CA LYS A 24 33.805 18.471 29.850 1.00 14.81 C ATOM 176 C LYS A 24 33.291 19.703 30.438 1.00 28.90 C ATOM 177 O LYS A 24 32.751 19.636 31.577 1.00 18.17 O ATOM 178 CB LYS A 24 35.368 18.672 29.852 1.00 13.39 C ATOM 179 CG LYS A 24 35.973 18.895 31.267 1.00 28.67 C ATOM 180 CD LYS A 24 37.514 18.879 31.303 1.00 33.41 C ATOM 181 CE LYS A 24 38.316 19.972 30.410 0.00 0.00 C ATOM 182 NZ LYS A 24 39.772 19.918 30.491 0.00 0.00 N ATOM 0 H LYS A 24 33.794 18.300 27.857 1.00 15.32 H new ATOM 0 HA LYS A 24 33.519 17.701 30.367 1.00 14.81 H new ATOM 0 HB2 LYS A 24 35.786 17.894 29.450 1.00 13.39 H new ATOM 0 HB3 LYS A 24 35.588 19.433 29.292 1.00 13.39 H new ATOM 0 HG2 LYS A 24 35.660 19.746 31.611 1.00 28.67 H new ATOM 0 HG3 LYS A 24 35.638 18.207 31.863 1.00 28.67 H new ATOM 0 HD2 LYS A 24 37.790 18.992 32.226 1.00 33.41 H new ATOM 0 HD3 LYS A 24 37.807 17.997 31.025 1.00 33.41 H new ATOM 0 HE2 LYS A 24 38.057 19.859 29.482 0.00 0.00 H new ATOM 0 HE3 LYS A 24 38.027 20.858 30.679 0.00 0.00 H new ATOM 0 HZ1 LYS A 24 40.122 20.550 29.972 0.00 0.00 H new ATOM 0 HZ2 LYS A 24 40.028 20.051 31.333 0.00 0.00 H new ATOM 0 HZ3 LYS A 24 40.055 19.120 30.218 0.00 0.00 H new ATOM 183 N HIS A 25 33.471 20.788 29.684 1.00 16.08 N ATOM 184 CA HIS A 25 33.200 22.101 30.176 1.00 10.36 C ATOM 185 C HIS A 25 31.711 22.203 30.398 1.00 10.69 C ATOM 186 O HIS A 25 31.377 22.880 31.367 1.00 13.73 O ATOM 187 CB HIS A 25 33.869 23.238 29.259 1.00 3.00 C ATOM 188 CG HIS A 25 35.413 23.276 29.237 1.00 18.11 C ATOM 189 ND1 HIS A 25 36.290 23.587 28.234 1.00 25.31 N flip ATOM 190 CD2 HIS A 25 36.118 22.938 30.367 1.00 16.66 C flip ATOM 191 CE1 HIS A 25 37.594 23.457 28.670 1.00 16.92 C flip ATOM 192 NE2 HIS A 25 37.495 23.051 30.015 1.00 18.45 N flip ATOM 0 H HIS A 25 33.755 20.766 28.873 1.00 16.08 H new ATOM 0 HA HIS A 25 33.625 22.262 31.033 1.00 10.36 H new ATOM 0 HB2 HIS A 25 33.554 23.120 28.349 1.00 3.00 H new ATOM 0 HB3 HIS A 25 33.547 24.102 29.561 1.00 3.00 H new ATOM 0 HD1 HIS A 25 36.061 23.830 27.441 1.00 25.31 H new ATOM 0 HD2 HIS A 25 35.769 22.687 31.192 1.00 16.66 H new ATOM 0 HE1 HIS A 25 38.371 23.606 28.181 1.00 16.92 H new ATOM 193 N THR A 26 30.842 21.514 29.574 1.00 13.68 N ATOM 194 CA THR A 26 29.385 21.527 29.727 1.00 10.00 C ATOM 195 C THR A 26 28.783 20.674 30.905 1.00 6.93 C ATOM 196 O THR A 26 27.865 21.058 31.592 1.00 10.13 O ATOM 197 CB THR A 26 28.591 21.095 28.438 1.00 26.39 C ATOM 198 OG1 THR A 26 28.697 19.722 28.104 1.00 16.79 O ATOM 199 CG2 THR A 26 29.067 22.039 27.258 1.00 9.88 C ATOM 0 H THR A 26 31.110 21.031 28.915 1.00 13.68 H new ATOM 0 HA THR A 26 29.262 22.468 29.926 1.00 10.00 H new ATOM 0 HB THR A 26 27.643 21.201 28.612 1.00 26.39 H new ATOM 0 HG1 THR A 26 29.454 19.572 27.773 1.00 16.79 H new ATOM 0 HG21 THR A 26 28.597 21.801 26.443 1.00 9.88 H new ATOM 0 HG22 THR A 26 28.874 22.962 27.484 1.00 9.88 H new ATOM 0 HG23 THR A 26 30.022 21.932 27.123 1.00 9.88 H new ATOM 200 N HIS A 27 29.350 19.606 31.182 1.00 14.11 N ATOM 201 CA HIS A 27 28.916 18.750 32.339 1.00 9.12 C ATOM 202 C HIS A 27 29.338 19.531 33.619 1.00 6.38 C ATOM 203 O HIS A 27 28.507 19.583 34.555 1.00 8.88 O ATOM 204 CB HIS A 27 29.569 17.450 32.248 1.00 11.41 C ATOM 205 CG HIS A 27 29.552 16.643 33.562 1.00 14.42 C ATOM 206 ND1 HIS A 27 28.382 15.808 34.037 1.00 23.61 N ATOM 207 CD2 HIS A 27 30.575 16.571 34.414 1.00 10.78 C ATOM 208 CE1 HIS A 27 28.733 15.227 35.246 1.00 16.83 C ATOM 209 NE2 HIS A 27 30.109 15.709 35.475 1.00 24.84 N ATOM 0 H HIS A 27 30.016 19.290 30.739 1.00 14.11 H new ATOM 0 HA HIS A 27 27.961 18.580 32.349 1.00 9.12 H new ATOM 0 HB2 HIS A 27 29.135 16.929 31.554 1.00 11.41 H new ATOM 0 HB3 HIS A 27 30.490 17.580 31.972 1.00 11.41 H new ATOM 0 HD2 HIS A 27 31.405 16.984 34.341 1.00 10.78 H new ATOM 0 HE1 HIS A 27 28.223 14.667 35.785 1.00 16.83 H new ATOM 0 HE2 HIS A 27 30.581 15.500 36.163 1.00 24.84 H new ATOM 210 N ARG A 28 30.551 20.246 33.563 1.00 11.51 N ATOM 211 CA ARG A 28 31.137 21.071 34.685 1.00 9.03 C ATOM 212 C ARG A 28 30.362 22.229 35.024 1.00 16.71 C ATOM 213 O ARG A 28 30.082 22.433 36.225 1.00 15.71 O ATOM 214 CB ARG A 28 32.637 21.612 34.412 1.00 14.65 C ATOM 215 CG ARG A 28 33.330 22.351 35.637 1.00 35.41 C ATOM 216 CD ARG A 28 33.410 21.410 36.846 1.00 27.17 C ATOM 217 NE ARG A 28 33.950 22.235 37.995 1.00 43.07 N ATOM 218 CZ ARG A 28 33.728 21.898 39.259 1.00 49.11 C ATOM 219 NH1 ARG A 28 33.038 20.714 39.583 1.00 48.94 N ATOM 220 NH2 ARG A 28 34.233 22.749 40.203 1.00 44.36 N ATOM 0 H ARG A 28 31.043 20.251 32.858 1.00 11.51 H new ATOM 0 HA ARG A 28 31.138 20.429 35.412 1.00 9.03 H new ATOM 0 HB2 ARG A 28 33.193 20.861 34.151 1.00 14.65 H new ATOM 0 HB3 ARG A 28 32.612 22.222 33.658 1.00 14.65 H new ATOM 0 HG2 ARG A 28 34.220 22.642 35.386 1.00 35.41 H new ATOM 0 HG3 ARG A 28 32.826 23.147 35.870 1.00 35.41 H new ATOM 0 HD2 ARG A 28 32.536 21.049 37.061 1.00 27.17 H new ATOM 0 HD3 ARG A 28 33.991 20.656 36.659 1.00 27.17 H new ATOM 0 HE ARG A 28 34.412 22.940 37.824 1.00 43.07 H new ATOM 0 HH11 ARG A 28 32.754 20.197 38.957 1.00 48.94 H new ATOM 0 HH12 ARG A 28 32.901 20.508 40.407 1.00 48.94 H new ATOM 0 HH21 ARG A 28 34.664 23.453 39.961 1.00 44.36 H new ATOM 0 HH22 ARG A 28 34.119 22.581 41.039 1.00 44.36 H new ATOM 221 N PHE A 29 29.923 22.853 33.980 1.00 17.83 N ATOM 222 CA PHE A 29 29.041 23.903 34.075 1.00 16.51 C ATOM 223 C PHE A 29 27.763 23.441 34.898 1.00 18.03 C ATOM 224 O PHE A 29 27.527 24.107 35.915 1.00 14.53 O ATOM 225 CB PHE A 29 28.682 24.368 32.657 1.00 13.78 C ATOM 226 CG PHE A 29 27.539 25.245 32.636 1.00 13.26 C ATOM 227 CD1 PHE A 29 27.749 26.548 33.135 1.00 6.69 C ATOM 228 CD2 PHE A 29 26.289 24.709 32.128 1.00 8.85 C ATOM 229 CE1 PHE A 29 26.704 27.317 33.131 1.00 12.94 C ATOM 230 CE2 PHE A 29 25.239 25.471 32.122 1.00 14.19 C ATOM 231 CZ PHE A 29 25.446 26.778 32.624 1.00 4.19 C ATOM 0 H PHE A 29 30.150 22.655 33.175 1.00 17.83 H new ATOM 0 HA PHE A 29 29.436 24.652 34.548 1.00 16.51 H new ATOM 0 HB2 PHE A 29 29.444 24.825 32.267 1.00 13.78 H new ATOM 0 HB3 PHE A 29 28.502 23.593 32.102 1.00 13.78 H new ATOM 0 HD1 PHE A 29 28.578 26.835 33.445 1.00 6.69 H new ATOM 0 HD2 PHE A 29 26.242 23.835 31.813 1.00 8.85 H new ATOM 0 HE1 PHE A 29 26.755 28.191 33.444 1.00 12.94 H new ATOM 0 HE2 PHE A 29 24.412 25.180 31.811 1.00 14.19 H new ATOM 0 HZ PHE A 29 24.711 27.347 32.632 1.00 4.19 H new ATOM 232 N PHE A 30 27.031 22.279 34.548 1.00 11.94 N ATOM 233 CA PHE A 30 25.793 21.716 35.284 1.00 9.69 C ATOM 234 C PHE A 30 26.026 21.235 36.700 1.00 7.50 C ATOM 235 O PHE A 30 25.172 21.378 37.588 1.00 11.34 O ATOM 236 CB PHE A 30 24.871 20.611 34.499 1.00 4.89 C ATOM 237 CG PHE A 30 23.986 21.240 33.491 1.00 13.23 C ATOM 238 CD1 PHE A 30 24.246 21.200 32.142 1.00 8.78 C ATOM 239 CD2 PHE A 30 22.935 21.857 33.950 1.00 19.15 C ATOM 240 CE1 PHE A 30 23.448 21.773 31.238 1.00 15.39 C ATOM 241 CE2 PHE A 30 22.134 22.436 33.056 1.00 17.25 C ATOM 242 CZ PHE A 30 22.389 22.392 31.697 1.00 22.18 C ATOM 0 H PHE A 30 27.250 21.799 33.869 1.00 11.94 H new ATOM 0 HA PHE A 30 25.279 22.538 35.309 1.00 9.69 H new ATOM 0 HB2 PHE A 30 25.446 19.963 34.063 1.00 4.89 H new ATOM 0 HB3 PHE A 30 24.332 20.125 35.143 1.00 4.89 H new ATOM 0 HD1 PHE A 30 25.008 20.756 31.847 1.00 8.78 H new ATOM 0 HD2 PHE A 30 22.752 21.892 34.861 1.00 19.15 H new ATOM 0 HE1 PHE A 30 23.635 21.735 30.328 1.00 15.39 H new ATOM 0 HE2 PHE A 30 21.377 22.885 33.356 1.00 17.25 H new ATOM 0 HZ PHE A 30 21.804 22.805 31.104 1.00 22.18 H new ATOM 243 N ILE A 31 27.205 20.838 36.934 1.00 10.00 N ATOM 244 CA ILE A 31 27.596 20.534 38.301 1.00 9.29 C ATOM 245 C ILE A 31 27.775 21.818 39.142 1.00 3.00 C ATOM 246 O ILE A 31 27.241 21.810 40.276 1.00 8.02 O ATOM 247 CB ILE A 31 28.924 19.918 38.344 1.00 18.32 C ATOM 248 CG1 ILE A 31 28.801 18.550 37.603 1.00 15.75 C ATOM 249 CG2 ILE A 31 29.425 19.782 39.789 1.00 11.48 C ATOM 250 CD1 ILE A 31 27.719 17.463 38.224 1.00 22.98 C ATOM 0 H ILE A 31 27.817 20.727 36.340 1.00 10.00 H new ATOM 0 HA ILE A 31 26.894 19.957 38.642 1.00 9.29 H new ATOM 0 HB ILE A 31 29.590 20.468 37.903 1.00 18.32 H new ATOM 0 HG12 ILE A 31 28.558 18.726 36.681 1.00 15.75 H new ATOM 0 HG13 ILE A 31 29.676 18.132 37.591 1.00 15.75 H new ATOM 0 HG21 ILE A 31 30.304 19.372 39.790 1.00 11.48 H new ATOM 0 HG22 ILE A 31 29.478 20.660 40.197 1.00 11.48 H new ATOM 0 HG23 ILE A 31 28.810 19.227 40.294 1.00 11.48 H new ATOM 0 HD11 ILE A 31 27.727 16.655 37.687 1.00 22.98 H new ATOM 0 HD12 ILE A 31 27.965 17.246 39.137 1.00 22.98 H new ATOM 0 HD13 ILE A 31 26.829 17.849 38.213 1.00 22.98 H new ATOM 251 N LEU A 32 28.392 22.908 38.539 1.00 3.00 N ATOM 252 CA LEU A 32 28.601 24.225 39.217 1.00 4.24 C ATOM 253 C LEU A 32 27.291 24.797 39.435 1.00 8.58 C ATOM 254 O LEU A 32 27.134 25.409 40.504 1.00 11.79 O ATOM 255 CB LEU A 32 29.603 25.250 38.427 1.00 12.19 C ATOM 256 CG LEU A 32 31.062 24.940 38.511 1.00 16.10 C ATOM 257 CD1 LEU A 32 31.968 25.692 37.420 1.00 20.86 C ATOM 258 CD2 LEU A 32 31.672 25.254 39.912 1.00 18.11 C ATOM 0 H LEU A 32 28.692 22.887 37.733 1.00 3.00 H new ATOM 0 HA LEU A 32 29.064 24.074 40.056 1.00 4.24 H new ATOM 0 HB2 LEU A 32 29.348 25.265 37.491 1.00 12.19 H new ATOM 0 HB3 LEU A 32 29.461 26.144 38.775 1.00 12.19 H new ATOM 0 HG LEU A 32 31.085 23.986 38.335 1.00 16.10 H new ATOM 0 HD11 LEU A 32 32.897 25.439 37.541 1.00 20.86 H new ATOM 0 HD12 LEU A 32 31.678 25.440 36.529 1.00 20.86 H new ATOM 0 HD13 LEU A 32 31.878 26.652 37.530 1.00 20.86 H new ATOM 0 HD21 LEU A 32 32.617 25.035 39.910 1.00 18.11 H new ATOM 0 HD22 LEU A 32 31.559 26.197 40.110 1.00 18.11 H new ATOM 0 HD23 LEU A 32 31.219 24.726 40.588 1.00 18.11 H new ATOM 259 N VAL A 33 26.345 24.539 38.516 1.00 13.03 N ATOM 260 CA VAL A 33 25.022 24.980 38.738 1.00 16.10 C ATOM 261 C VAL A 33 24.333 24.325 39.983 1.00 16.30 C ATOM 262 O VAL A 33 23.829 25.022 40.836 1.00 13.35 O ATOM 263 CB VAL A 33 24.045 24.625 37.551 1.00 13.98 C ATOM 264 CG1 VAL A 33 22.594 24.870 37.895 1.00 5.69 C ATOM 265 CG2 VAL A 33 24.567 25.372 36.262 1.00 12.47 C ATOM 0 H VAL A 33 26.475 24.115 37.779 1.00 13.03 H new ATOM 0 HA VAL A 33 25.144 25.935 38.853 1.00 16.10 H new ATOM 0 HB VAL A 33 24.056 23.672 37.370 1.00 13.98 H new ATOM 0 HG11 VAL A 33 22.037 24.637 37.135 1.00 5.69 H new ATOM 0 HG12 VAL A 33 22.345 24.324 38.657 1.00 5.69 H new ATOM 0 HG13 VAL A 33 22.467 25.806 38.114 1.00 5.69 H new ATOM 0 HG21 VAL A 33 23.984 25.172 35.513 1.00 12.47 H new ATOM 0 HG22 VAL A 33 24.571 26.329 36.421 1.00 12.47 H new ATOM 0 HG23 VAL A 33 25.468 25.075 36.058 1.00 12.47 H new ATOM 266 N LEU A 34 24.329 23.016 40.045 1.00 17.66 N ATOM 267 CA LEU A 34 23.628 22.157 41.090 1.00 14.16 C ATOM 268 C LEU A 34 24.354 22.394 42.429 1.00 11.56 C ATOM 269 O LEU A 34 23.662 22.316 43.481 1.00 18.51 O ATOM 270 CB LEU A 34 23.502 20.662 40.659 1.00 8.08 C ATOM 271 CG LEU A 34 22.147 20.093 39.968 1.00 18.82 C ATOM 272 CD1 LEU A 34 21.469 21.132 39.185 1.00 14.27 C ATOM 273 CD2 LEU A 34 22.252 18.825 39.125 1.00 9.53 C ATOM 0 H LEU A 34 24.747 22.539 39.464 1.00 17.66 H new ATOM 0 HA LEU A 34 22.700 22.419 41.192 1.00 14.16 H new ATOM 0 HB2 LEU A 34 24.230 20.483 40.043 1.00 8.08 H new ATOM 0 HB3 LEU A 34 23.662 20.125 41.451 1.00 8.08 H new ATOM 0 HG LEU A 34 21.629 19.826 40.743 1.00 18.82 H new ATOM 0 HD11 LEU A 34 20.666 20.764 38.785 1.00 14.27 H new ATOM 0 HD12 LEU A 34 21.231 21.872 39.766 1.00 14.27 H new ATOM 0 HD13 LEU A 34 22.062 21.449 38.485 1.00 14.27 H new ATOM 0 HD21 LEU A 34 21.377 18.596 38.774 1.00 9.53 H new ATOM 0 HD22 LEU A 34 22.866 18.975 38.389 1.00 9.53 H new ATOM 0 HD23 LEU A 34 22.579 18.096 39.675 1.00 9.53 H new ATOM 274 N GLU A 35 25.661 22.888 42.381 1.00 9.79 N ATOM 275 CA GLU A 35 26.418 23.321 43.607 1.00 12.13 C ATOM 276 C GLU A 35 26.003 24.589 44.227 1.00 14.99 C ATOM 277 O GLU A 35 26.080 24.763 45.469 1.00 15.50 O ATOM 278 CB GLU A 35 27.960 23.560 43.372 1.00 20.93 C ATOM 279 CG GLU A 35 28.505 22.230 43.081 1.00 46.35 C ATOM 280 CD GLU A 35 30.047 22.478 43.135 1.00 49.47 C ATOM 281 OE1 GLU A 35 30.663 21.478 43.039 1.00 42.48 O ATOM 282 OE2 GLU A 35 30.636 23.528 43.705 1.00 43.55 O ATOM 0 H GLU A 35 26.107 22.973 41.650 1.00 9.79 H new ATOM 0 HA GLU A 35 26.217 22.561 44.175 1.00 12.13 H new ATOM 0 HB2 GLU A 35 28.113 24.172 42.635 1.00 20.93 H new ATOM 0 HB3 GLU A 35 28.379 23.949 44.156 1.00 20.93 H new ATOM 0 HG2 GLU A 35 28.222 21.572 43.735 1.00 46.35 H new ATOM 0 HG3 GLU A 35 28.221 21.906 42.212 1.00 46.35 H new ATOM 283 N ILE A 36 25.631 25.464 43.378 1.00 16.50 N ATOM 284 CA ILE A 36 25.271 26.772 43.801 1.00 12.60 C ATOM 285 C ILE A 36 23.786 26.641 44.205 1.00 13.50 C ATOM 286 O ILE A 36 23.433 27.224 45.230 1.00 13.47 O ATOM 287 CB ILE A 36 25.596 27.813 42.656 1.00 14.48 C ATOM 288 CG1 ILE A 36 27.133 28.092 42.364 1.00 9.25 C ATOM 289 CG2 ILE A 36 25.039 29.141 42.928 1.00 11.90 C ATOM 290 CD1 ILE A 36 27.478 28.954 41.099 1.00 13.31 C ATOM 0 H ILE A 36 25.575 25.328 42.531 1.00 16.50 H new ATOM 0 HA ILE A 36 25.771 27.117 44.557 1.00 12.60 H new ATOM 0 HB ILE A 36 25.195 27.368 41.893 1.00 14.48 H new ATOM 0 HG12 ILE A 36 27.511 28.533 43.141 1.00 9.25 H new ATOM 0 HG13 ILE A 36 27.582 27.237 42.277 1.00 9.25 H new ATOM 0 HG21 ILE A 36 25.264 29.742 42.200 1.00 11.90 H new ATOM 0 HG22 ILE A 36 24.074 29.077 43.008 1.00 11.90 H new ATOM 0 HG23 ILE A 36 25.409 29.484 43.756 1.00 11.90 H new ATOM 0 HD11 ILE A 36 28.440 29.054 41.028 1.00 13.31 H new ATOM 0 HD12 ILE A 36 27.140 28.513 40.304 1.00 13.31 H new ATOM 0 HD13 ILE A 36 27.068 29.829 41.182 1.00 13.31 H new ATOM 291 N ALA A 37 22.951 25.813 43.468 1.00 8.68 N ATOM 292 CA ALA A 37 21.493 25.529 43.747 1.00 18.07 C ATOM 293 C ALA A 37 20.858 24.116 43.298 1.00 8.51 C ATOM 294 O ALA A 37 20.403 23.928 42.127 1.00 7.42 O ATOM 295 CB ALA A 37 20.751 26.585 43.059 1.00 13.39 C ATOM 0 H ALA A 37 23.235 25.393 42.773 1.00 8.68 H new ATOM 0 HA ALA A 37 21.427 25.494 44.714 1.00 18.07 H new ATOM 0 HB1 ALA A 37 19.800 26.458 43.201 1.00 13.39 H new ATOM 0 HB2 ALA A 37 21.017 27.449 43.410 1.00 13.39 H new ATOM 0 HB3 ALA A 37 20.943 26.550 42.109 1.00 13.39 H new ATOM 296 N PRO A 38 20.947 23.155 44.173 1.00 13.68 N ATOM 297 CA PRO A 38 20.381 21.722 43.964 1.00 14.05 C ATOM 298 C PRO A 38 18.939 21.503 43.421 1.00 17.71 C ATOM 299 O PRO A 38 18.610 20.626 42.534 1.00 21.41 O ATOM 300 CB PRO A 38 20.425 21.002 45.321 1.00 17.01 C ATOM 301 CG PRO A 38 21.208 22.025 46.290 1.00 8.31 C ATOM 302 CD PRO A 38 21.510 23.378 45.537 1.00 8.22 C ATOM 0 HA PRO A 38 20.950 21.389 43.252 1.00 14.05 H new ATOM 0 HB2 PRO A 38 19.532 20.815 45.651 1.00 17.01 H new ATOM 0 HB3 PRO A 38 20.888 20.152 45.256 1.00 17.01 H new ATOM 0 HG2 PRO A 38 20.676 22.201 47.081 1.00 8.31 H new ATOM 0 HG3 PRO A 38 22.038 21.623 46.590 1.00 8.31 H new ATOM 0 HD2 PRO A 38 21.089 24.133 45.977 1.00 8.22 H new ATOM 0 HD3 PRO A 38 22.462 23.563 45.504 1.00 8.22 H new ATOM 303 N ALA A 39 18.144 22.332 43.888 1.00 13.18 N ATOM 304 CA ALA A 39 16.724 22.280 43.485 1.00 21.01 C ATOM 305 C ALA A 39 16.527 22.441 41.984 1.00 17.53 C ATOM 306 O ALA A 39 15.386 22.075 41.464 1.00 13.60 O ATOM 307 CB ALA A 39 16.091 23.377 44.232 1.00 17.04 C ATOM 0 H ALA A 39 18.349 22.956 44.444 1.00 13.18 H new ATOM 0 HA ALA A 39 16.333 21.415 43.685 1.00 21.01 H new ATOM 0 HB1 ALA A 39 15.145 23.410 44.019 1.00 17.04 H new ATOM 0 HB2 ALA A 39 16.203 23.228 45.184 1.00 17.04 H new ATOM 0 HB3 ALA A 39 16.507 24.218 43.986 1.00 17.04 H new ATOM 308 N ALA A 40 17.574 23.078 41.329 1.00 16.06 N ATOM 309 CA ALA A 40 17.466 23.420 39.908 1.00 18.67 C ATOM 310 C ALA A 40 17.294 22.176 39.009 1.00 23.84 C ATOM 311 O ALA A 40 16.988 22.285 37.800 1.00 17.70 O ATOM 312 CB ALA A 40 18.714 24.410 39.445 1.00 20.65 C ATOM 0 H ALA A 40 18.317 23.301 41.700 1.00 16.06 H new ATOM 0 HA ALA A 40 16.648 23.926 39.784 1.00 18.67 H new ATOM 0 HB1 ALA A 40 18.625 24.625 38.503 1.00 20.65 H new ATOM 0 HB2 ALA A 40 18.689 25.228 39.966 1.00 20.65 H new ATOM 0 HB3 ALA A 40 19.559 23.957 39.594 1.00 20.65 H new ATOM 313 N LYS A 41 17.586 21.066 39.575 1.00 14.30 N ATOM 314 CA LYS A 41 17.591 19.809 38.821 1.00 17.28 C ATOM 315 C LYS A 41 16.237 19.351 38.135 1.00 27.65 C ATOM 316 O LYS A 41 16.194 18.948 36.942 1.00 29.49 O ATOM 317 CB LYS A 41 17.898 18.688 39.776 1.00 22.58 C ATOM 318 CG LYS A 41 17.857 17.310 39.078 1.00 33.97 C ATOM 319 CD LYS A 41 18.222 16.246 40.069 1.00 42.68 C ATOM 320 CE LYS A 41 18.161 14.847 39.422 1.00 27.51 C ATOM 321 NZ LYS A 41 16.762 14.290 39.061 0.00 0.00 N ATOM 0 H LYS A 41 17.792 20.986 40.406 1.00 14.30 H new ATOM 0 HA LYS A 41 18.234 19.983 38.116 1.00 17.28 H new ATOM 0 HB2 LYS A 41 18.775 18.827 40.166 1.00 22.58 H new ATOM 0 HB3 LYS A 41 17.258 18.700 40.505 1.00 22.58 H new ATOM 0 HG2 LYS A 41 16.971 17.143 38.719 1.00 33.97 H new ATOM 0 HG3 LYS A 41 18.474 17.296 38.330 1.00 33.97 H new ATOM 0 HD2 LYS A 41 19.115 16.410 40.411 1.00 42.68 H new ATOM 0 HD3 LYS A 41 17.617 16.283 40.826 1.00 42.68 H new ATOM 0 HE2 LYS A 41 18.694 14.868 38.612 1.00 27.51 H new ATOM 0 HE3 LYS A 41 18.587 14.219 40.026 1.00 27.51 H new ATOM 0 HZ1 LYS A 41 16.849 13.483 38.697 0.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.267 14.231 39.798 0.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.366 14.836 38.480 0.00 0.00 H new ATOM 322 N ASP A 42 15.183 19.529 38.866 1.00 20.03 N ATOM 323 CA ASP A 42 13.781 19.162 38.418 1.00 25.23 C ATOM 324 C ASP A 42 13.425 19.895 37.165 1.00 22.90 C ATOM 325 O ASP A 42 12.422 19.375 36.487 1.00 23.07 O ATOM 326 CB ASP A 42 12.801 19.383 39.552 1.00 37.30 C ATOM 327 CG ASP A 42 13.101 18.499 40.722 1.00 59.52 C ATOM 328 OD1 ASP A 42 13.862 19.041 41.636 1.00 53.91 O ATOM 329 OD2 ASP A 42 13.079 17.259 40.500 1.00 51.35 O ATOM 0 H ASP A 42 15.213 19.868 39.656 1.00 20.03 H new ATOM 0 HA ASP A 42 13.739 18.218 38.197 1.00 25.23 H new ATOM 0 HB2 ASP A 42 12.832 20.311 39.831 1.00 37.30 H new ATOM 0 HB3 ASP A 42 11.899 19.211 39.239 1.00 37.30 H new ATOM 330 N LEU A 43 14.198 21.055 36.880 1.00 16.60 N ATOM 331 CA LEU A 43 13.904 21.881 35.724 1.00 3.45 C ATOM 332 C LEU A 43 14.246 21.286 34.384 1.00 23.58 C ATOM 333 O LEU A 43 13.642 21.561 33.341 1.00 16.15 O ATOM 334 CB LEU A 43 14.685 23.338 35.815 1.00 18.77 C ATOM 335 CG LEU A 43 14.279 24.148 37.022 1.00 11.98 C ATOM 336 CD1 LEU A 43 15.186 25.539 37.124 1.00 11.81 C ATOM 337 CD2 LEU A 43 12.768 24.291 36.982 1.00 14.42 C ATOM 0 H LEU A 43 14.860 21.326 37.357 1.00 16.60 H new ATOM 0 HA LEU A 43 12.939 21.971 35.765 1.00 3.45 H new ATOM 0 HB2 LEU A 43 15.643 23.185 35.841 1.00 18.77 H new ATOM 0 HB3 LEU A 43 14.501 23.849 35.011 1.00 18.77 H new ATOM 0 HG LEU A 43 14.479 23.714 37.866 1.00 11.98 H new ATOM 0 HD11 LEU A 43 14.913 26.047 37.904 1.00 11.81 H new ATOM 0 HD12 LEU A 43 16.125 25.308 37.201 1.00 11.81 H new ATOM 0 HD13 LEU A 43 15.050 26.074 36.326 1.00 11.81 H new ATOM 0 HD21 LEU A 43 12.471 24.809 37.747 1.00 14.42 H new ATOM 0 HD22 LEU A 43 12.507 24.744 36.165 1.00 14.42 H new ATOM 0 HD23 LEU A 43 12.359 23.412 37.009 1.00 14.42 H new ATOM 338 N PHE A 44 15.279 20.616 34.383 1.00 18.08 N ATOM 339 CA PHE A 44 15.848 20.167 33.129 1.00 16.01 C ATOM 340 C PHE A 44 15.307 18.700 32.771 1.00 27.06 C ATOM 341 O PHE A 44 15.377 17.784 33.615 1.00 20.64 O ATOM 342 CB PHE A 44 17.407 20.355 33.197 1.00 19.37 C ATOM 343 CG PHE A 44 18.048 21.853 33.342 1.00 24.68 C ATOM 344 CD1 PHE A 44 18.332 22.408 34.590 1.00 15.35 C ATOM 345 CD2 PHE A 44 18.352 22.638 32.219 1.00 15.23 C ATOM 346 CE1 PHE A 44 18.919 23.756 34.722 1.00 19.10 C ATOM 347 CE2 PHE A 44 18.942 23.988 32.341 1.00 6.90 C ATOM 348 CZ PHE A 44 19.224 24.548 33.594 1.00 4.70 C ATOM 0 H PHE A 44 15.712 20.380 35.087 1.00 18.08 H new ATOM 0 HA PHE A 44 15.559 20.702 32.373 1.00 16.01 H new ATOM 0 HB2 PHE A 44 17.728 19.831 33.947 1.00 19.37 H new ATOM 0 HB3 PHE A 44 17.780 19.959 32.394 1.00 19.37 H new ATOM 0 HD1 PHE A 44 18.147 21.917 35.358 1.00 15.35 H new ATOM 0 HD2 PHE A 44 18.177 22.298 31.371 1.00 15.23 H new ATOM 0 HE1 PHE A 44 19.093 24.093 35.571 1.00 19.10 H new ATOM 0 HE2 PHE A 44 19.130 24.475 31.571 1.00 6.90 H new ATOM 0 HZ PHE A 44 19.593 25.397 33.678 1.00 4.70 H new ATOM 349 N SER A 45 14.666 18.530 31.616 1.00 22.39 N ATOM 350 CA SER A 45 13.941 17.219 31.150 1.00 26.29 C ATOM 351 C SER A 45 14.811 16.097 31.108 1.00 22.89 C ATOM 352 O SER A 45 14.336 14.924 31.497 1.00 24.37 O ATOM 353 CB SER A 45 13.256 17.350 29.781 1.00 38.25 C ATOM 354 OG SER A 45 14.234 17.816 28.766 1.00 35.56 O ATOM 0 H SER A 45 14.611 19.159 31.033 1.00 22.39 H new ATOM 0 HA SER A 45 13.260 17.077 31.826 1.00 26.29 H new ATOM 0 HB2 SER A 45 12.884 16.495 29.514 1.00 38.25 H new ATOM 0 HB3 SER A 45 12.517 17.975 29.839 1.00 38.25 H new ATOM 0 HG SER A 45 14.300 18.653 28.803 1.00 35.56 H new ATOM 355 N PHE A 46 16.079 16.484 30.774 1.00 10.53 N ATOM 356 CA PHE A 46 17.070 15.548 30.750 1.00 9.18 C ATOM 357 C PHE A 46 17.724 15.352 32.100 1.00 32.63 C ATOM 358 O PHE A 46 18.495 14.481 32.205 1.00 22.84 O ATOM 359 CB PHE A 46 18.158 15.936 29.662 1.00 9.16 C ATOM 360 CG PHE A 46 18.788 17.443 29.711 1.00 20.98 C ATOM 361 CD1 PHE A 46 18.343 18.342 28.837 1.00 21.99 C ATOM 362 CD2 PHE A 46 19.783 17.897 30.628 1.00 30.85 C ATOM 363 CE1 PHE A 46 18.883 19.704 28.882 1.00 19.57 C ATOM 364 CE2 PHE A 46 20.331 19.258 30.680 1.00 26.50 C ATOM 365 CZ PHE A 46 19.879 20.163 29.805 1.00 16.74 C ATOM 0 H PHE A 46 16.318 17.285 30.572 1.00 10.53 H new ATOM 0 HA PHE A 46 16.657 14.703 30.513 1.00 9.18 H new ATOM 0 HB2 PHE A 46 18.891 15.305 29.736 1.00 9.16 H new ATOM 0 HB3 PHE A 46 17.761 15.808 28.786 1.00 9.16 H new ATOM 0 HD1 PHE A 46 17.699 18.110 28.207 1.00 21.99 H new ATOM 0 HD2 PHE A 46 20.111 17.281 31.242 1.00 30.85 H new ATOM 0 HE1 PHE A 46 18.554 20.317 28.265 1.00 19.57 H new ATOM 0 HE2 PHE A 46 20.978 19.486 31.308 1.00 26.50 H new ATOM 0 HZ PHE A 46 20.192 21.039 29.796 1.00 16.74 H new ATOM 366 N LEU A 47 17.369 16.051 33.128 1.00 29.65 N ATOM 367 CA LEU A 47 17.868 15.819 34.488 1.00 19.52 C ATOM 368 C LEU A 47 16.772 15.068 35.390 1.00 30.30 C ATOM 369 O LEU A 47 17.094 14.349 36.335 1.00 21.57 O ATOM 370 CB LEU A 47 18.461 17.144 35.195 1.00 22.26 C ATOM 371 CG LEU A 47 19.739 17.881 34.503 1.00 31.18 C ATOM 372 CD1 LEU A 47 20.305 19.193 35.251 1.00 22.17 C ATOM 373 CD2 LEU A 47 20.817 16.949 34.332 1.00 27.77 C ATOM 0 H LEU A 47 16.811 16.704 33.077 1.00 29.65 H new ATOM 0 HA LEU A 47 18.630 15.225 34.404 1.00 19.52 H new ATOM 0 HB2 LEU A 47 17.743 17.793 35.257 1.00 22.26 H new ATOM 0 HB3 LEU A 47 18.710 16.909 36.102 1.00 22.26 H new ATOM 0 HG LEU A 47 19.389 18.198 33.656 1.00 31.18 H new ATOM 0 HD11 LEU A 47 21.060 19.548 34.756 1.00 22.17 H new ATOM 0 HD12 LEU A 47 19.607 19.864 35.300 1.00 22.17 H new ATOM 0 HD13 LEU A 47 20.589 18.957 36.148 1.00 22.17 H new ATOM 0 HD21 LEU A 47 21.571 17.398 33.920 1.00 27.77 H new ATOM 0 HD22 LEU A 47 21.083 16.599 35.197 1.00 27.77 H new ATOM 0 HD23 LEU A 47 20.526 16.219 33.764 1.00 27.77 H new ATOM 374 N LYS A 48 15.532 15.294 35.130 1.00 51.97 N ATOM 375 CA LYS A 48 14.359 14.639 35.894 1.00 58.91 C ATOM 376 C LYS A 48 14.275 13.107 35.879 1.00 51.69 C ATOM 377 O LYS A 48 14.184 12.483 34.785 1.00 49.86 O ATOM 378 CB LYS A 48 13.016 14.939 35.303 1.00 45.82 C ATOM 379 CG LYS A 48 12.867 16.443 35.344 0.00 0.00 C ATOM 380 CD LYS A 48 11.457 16.651 34.847 0.00 0.00 C ATOM 381 CE LYS A 48 11.150 16.058 33.440 0.00 0.00 C ATOM 382 NZ LYS A 48 9.786 16.254 33.026 0.00 0.00 N ATOM 0 H LYS A 48 15.277 15.830 34.508 1.00 51.97 H new ATOM 0 HA LYS A 48 14.547 15.005 36.772 1.00 58.91 H new ATOM 0 HB2 LYS A 48 12.956 14.609 34.393 1.00 45.82 H new ATOM 0 HB3 LYS A 48 12.310 14.507 35.809 1.00 45.82 H new ATOM 0 HG2 LYS A 48 12.988 16.793 36.241 0.00 0.00 H new ATOM 0 HG3 LYS A 48 13.518 16.885 34.777 0.00 0.00 H new ATOM 0 HD2 LYS A 48 10.843 16.258 35.488 0.00 0.00 H new ATOM 0 HD3 LYS A 48 11.275 17.604 34.827 0.00 0.00 H new ATOM 0 HE2 LYS A 48 11.741 16.466 32.788 0.00 0.00 H new ATOM 0 HE3 LYS A 48 11.346 15.108 33.446 0.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.666 15.898 32.219 0.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.239 15.860 33.608 0.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.607 17.125 32.994 0.00 0.00 H new ATOM 383 N GLY A 49 14.270 12.532 37.051 1.00 50.11 N ATOM 384 CA GLY A 49 14.078 11.062 37.182 1.00 55.72 C ATOM 385 C GLY A 49 15.405 10.515 37.333 1.00 56.34 C ATOM 386 O GLY A 49 15.417 9.434 37.971 1.00 54.20 O ATOM 0 H GLY A 49 14.373 12.949 37.796 1.00 50.11 H new ATOM 0 HA2 GLY A 49 13.523 10.849 37.948 1.00 55.72 H new ATOM 0 HA3 GLY A 49 13.636 10.696 36.400 1.00 55.72 H new ATOM 387 N THR A 50 16.496 11.272 36.836 1.00 40.66 N ATOM 388 CA THR A 50 17.833 10.864 37.029 1.00 53.69 C ATOM 389 C THR A 50 18.279 11.033 38.488 1.00 59.94 C ATOM 390 O THR A 50 17.695 11.748 39.258 1.00 55.32 O ATOM 391 CB THR A 50 18.931 11.669 36.131 1.00 44.61 C ATOM 392 OG1 THR A 50 19.441 12.945 36.726 1.00 32.67 O ATOM 393 CG2 THR A 50 18.436 11.878 34.701 1.00 27.33 C ATOM 0 H THR A 50 16.409 12.007 36.398 1.00 40.66 H new ATOM 0 HA THR A 50 17.816 9.934 36.755 1.00 53.69 H new ATOM 0 HB THR A 50 19.705 11.085 36.117 1.00 44.61 H new ATOM 0 HG1 THR A 50 18.834 13.525 36.709 1.00 32.67 H new ATOM 0 HG21 THR A 50 19.108 12.358 34.193 1.00 27.33 H new ATOM 0 HG22 THR A 50 18.271 11.017 34.286 1.00 27.33 H new ATOM 0 HG23 THR A 50 17.614 12.392 34.715 1.00 27.33 H new ATOM 394 N SER A 51 19.309 10.470 38.870 1.00 48.81 N ATOM 395 CA SER A 51 19.851 10.739 40.221 1.00 48.61 C ATOM 396 C SER A 51 21.168 11.720 40.163 1.00 52.53 C ATOM 397 O SER A 51 21.310 12.832 40.779 1.00 50.93 O ATOM 398 CB SER A 51 20.132 9.434 40.899 1.00 57.84 C ATOM 399 OG SER A 51 20.705 9.770 42.194 0.00 0.00 O ATOM 0 H SER A 51 19.762 9.909 38.401 1.00 48.81 H new ATOM 0 HA SER A 51 19.192 11.222 40.745 1.00 48.61 H new ATOM 0 HB2 SER A 51 19.319 8.915 41.003 1.00 57.84 H new ATOM 0 HB3 SER A 51 20.747 8.896 40.376 1.00 57.84 H new ATOM 0 HG SER A 51 20.879 9.064 42.615 0.00 0.00 H new ATOM 400 N GLU A 52 21.994 11.377 39.261 1.00 41.31 N ATOM 401 CA GLU A 52 23.243 12.238 38.869 1.00 50.13 C ATOM 402 C GLU A 52 23.093 12.853 37.496 1.00 47.05 C ATOM 403 O GLU A 52 22.268 12.249 36.665 1.00 36.99 O ATOM 404 CB GLU A 52 24.417 11.407 38.836 1.00 42.98 C ATOM 405 CG GLU A 52 24.652 10.774 40.203 0.00 0.00 C ATOM 406 CD GLU A 52 25.851 10.007 40.084 0.00 0.00 C ATOM 407 OE1 GLU A 52 26.691 10.299 39.154 0.00 0.00 O ATOM 408 OE2 GLU A 52 26.173 9.337 41.064 0.00 0.00 O ATOM 0 H GLU A 52 21.920 10.650 38.808 1.00 41.31 H new ATOM 0 HA GLU A 52 23.321 12.941 39.533 1.00 50.13 H new ATOM 0 HB2 GLU A 52 24.312 10.714 38.165 1.00 42.98 H new ATOM 0 HB3 GLU A 52 25.189 11.936 38.580 1.00 42.98 H new ATOM 0 HG2 GLU A 52 24.742 11.454 40.889 0.00 0.00 H new ATOM 0 HG3 GLU A 52 23.904 10.211 40.458 0.00 0.00 H new ATOM 409 N VAL A 53 23.885 14.001 37.272 1.00 22.83 N ATOM 410 CA VAL A 53 23.955 14.673 35.973 1.00 23.58 C ATOM 411 C VAL A 53 24.625 13.859 34.950 1.00 23.69 C ATOM 412 O VAL A 53 25.746 13.495 35.210 1.00 20.24 O ATOM 413 CB VAL A 53 24.720 16.129 36.147 1.00 25.49 C ATOM 414 CG1 VAL A 53 25.025 16.917 34.828 1.00 11.17 C ATOM 415 CG2 VAL A 53 23.942 16.913 37.121 1.00 13.52 C ATOM 0 H VAL A 53 24.368 14.369 37.881 1.00 22.83 H new ATOM 0 HA VAL A 53 23.046 14.812 35.664 1.00 23.58 H new ATOM 0 HB VAL A 53 25.618 15.954 36.469 1.00 25.49 H new ATOM 0 HG11 VAL A 53 25.472 17.750 35.045 1.00 11.17 H new ATOM 0 HG12 VAL A 53 25.598 16.382 34.257 1.00 11.17 H new ATOM 0 HG13 VAL A 53 24.194 17.107 34.365 1.00 11.17 H new ATOM 0 HG21 VAL A 53 24.362 17.778 37.250 1.00 13.52 H new ATOM 0 HG22 VAL A 53 23.039 17.039 36.789 1.00 13.52 H new ATOM 0 HG23 VAL A 53 23.911 16.440 37.967 1.00 13.52 H new ATOM 416 N PRO A 54 23.837 13.384 33.943 1.00 16.25 N ATOM 417 CA PRO A 54 24.259 12.557 32.846 1.00 11.44 C ATOM 418 C PRO A 54 25.559 13.221 32.168 1.00 23.91 C ATOM 419 O PRO A 54 25.825 14.487 32.058 1.00 22.85 O ATOM 420 CB PRO A 54 23.125 12.374 31.797 1.00 13.62 C ATOM 421 CG PRO A 54 22.087 13.259 32.241 1.00 23.52 C ATOM 422 CD PRO A 54 22.509 13.786 33.646 1.00 12.15 C ATOM 0 HA PRO A 54 24.477 11.674 33.183 1.00 11.44 H new ATOM 0 HB2 PRO A 54 23.428 12.603 30.904 1.00 13.62 H new ATOM 0 HB3 PRO A 54 22.817 11.455 31.765 1.00 13.62 H new ATOM 0 HG2 PRO A 54 21.973 13.994 31.619 1.00 23.52 H new ATOM 0 HG3 PRO A 54 21.237 12.794 32.290 1.00 23.52 H new ATOM 0 HD2 PRO A 54 22.444 14.754 33.668 1.00 12.15 H new ATOM 0 HD3 PRO A 54 21.902 13.445 34.322 1.00 12.15 H new ATOM 423 N GLN A 55 26.407 12.399 31.844 1.00 20.83 N ATOM 424 CA GLN A 55 27.746 12.921 31.320 1.00 16.45 C ATOM 425 C GLN A 55 27.840 12.921 29.799 1.00 18.13 C ATOM 426 O GLN A 55 28.620 13.838 29.205 1.00 26.04 O ATOM 427 CB GLN A 55 28.791 12.143 31.956 1.00 22.48 C ATOM 428 CG GLN A 55 28.579 12.066 33.479 1.00 23.70 C ATOM 429 CD GLN A 55 29.744 11.495 34.132 1.00 52.30 C ATOM 430 OE1 GLN A 55 30.903 11.764 33.624 1.00 54.57 O ATOM 431 NE2 GLN A 55 29.528 11.147 35.392 1.00 52.48 N ATOM 0 H GLN A 55 26.322 11.544 31.883 1.00 20.83 H new ATOM 0 HA GLN A 55 27.845 13.858 31.551 1.00 16.45 H new ATOM 0 HB2 GLN A 55 28.804 11.248 31.583 1.00 22.48 H new ATOM 0 HB3 GLN A 55 29.655 12.541 31.767 1.00 22.48 H new ATOM 0 HG2 GLN A 55 28.408 12.953 33.831 1.00 23.70 H new ATOM 0 HG3 GLN A 55 27.797 11.527 33.674 1.00 23.70 H new ATOM 0 HE21 GLN A 55 28.728 10.982 35.661 1.00 52.48 H new ATOM 0 HE22 GLN A 55 30.188 11.086 35.940 1.00 52.48 H new ATOM 432 N ASN A 56 27.078 11.922 29.181 1.00 15.18 N ATOM 433 CA ASN A 56 27.056 11.784 27.715 1.00 13.70 C ATOM 434 C ASN A 56 25.660 11.829 27.121 1.00 15.10 C ATOM 435 O ASN A 56 25.172 10.976 26.259 1.00 17.38 O ATOM 436 CB ASN A 56 27.545 10.461 27.272 1.00 9.81 C ATOM 437 CG ASN A 56 29.025 10.502 27.664 1.00 30.97 C ATOM 438 OD1 ASN A 56 29.297 10.134 28.824 1.00 18.53 O ATOM 439 ND2 ASN A 56 29.853 11.405 26.981 1.00 22.87 N ATOM 0 H ASN A 56 26.595 11.350 29.604 1.00 15.18 H new ATOM 0 HA ASN A 56 27.608 12.526 27.422 1.00 13.70 H new ATOM 0 HB2 ASN A 56 27.075 9.736 27.714 1.00 9.81 H new ATOM 0 HB3 ASN A 56 27.428 10.335 26.317 1.00 9.81 H new ATOM 0 HD21 ASN A 56 30.560 11.713 27.362 1.00 22.87 H new ATOM 0 HD22 ASN A 56 29.654 11.651 26.181 1.00 22.87 H new ATOM 440 N ASN A 57 25.040 12.811 27.550 1.00 10.70 N ATOM 441 CA ASN A 57 23.701 12.991 27.049 1.00 11.03 C ATOM 442 C ASN A 57 23.795 14.143 26.041 1.00 15.23 C ATOM 443 O ASN A 57 24.301 15.312 26.404 1.00 18.46 O ATOM 444 CB ASN A 57 22.784 13.267 28.226 1.00 10.89 C ATOM 445 CG ASN A 57 21.338 13.265 27.736 1.00 15.71 C ATOM 446 OD1 ASN A 57 21.054 14.278 27.120 1.00 23.38 O ATOM 447 ND2 ASN A 57 20.419 12.430 28.399 1.00 14.02 N ATOM 0 H ASN A 57 25.327 13.393 28.114 1.00 10.70 H new ATOM 0 HA ASN A 57 23.330 12.215 26.601 1.00 11.03 H new ATOM 0 HB2 ASN A 57 22.907 12.593 28.912 1.00 10.89 H new ATOM 0 HB3 ASN A 57 23.001 14.123 28.627 1.00 10.89 H new ATOM 0 HD21 ASN A 57 19.580 12.620 28.389 1.00 14.02 H new ATOM 0 HD22 ASN A 57 20.696 11.730 28.814 1.00 14.02 H new ATOM 448 N PRO A 58 23.341 13.831 24.825 1.00 15.08 N ATOM 449 CA PRO A 58 23.475 14.794 23.697 1.00 13.47 C ATOM 450 C PRO A 58 22.620 15.927 23.821 1.00 15.59 C ATOM 451 O PRO A 58 23.030 17.044 23.268 1.00 14.81 O ATOM 452 CB PRO A 58 23.067 13.996 22.414 1.00 13.64 C ATOM 453 CG PRO A 58 22.544 12.542 22.850 1.00 13.56 C ATOM 454 CD PRO A 58 22.755 12.466 24.370 1.00 12.93 C ATOM 0 HA PRO A 58 24.381 15.139 23.673 1.00 13.47 H new ATOM 0 HB2 PRO A 58 22.373 14.471 21.930 1.00 13.64 H new ATOM 0 HB3 PRO A 58 23.825 13.914 21.815 1.00 13.64 H new ATOM 0 HG2 PRO A 58 21.609 12.425 22.621 1.00 13.56 H new ATOM 0 HG3 PRO A 58 23.037 11.842 22.394 1.00 13.56 H new ATOM 0 HD2 PRO A 58 21.916 12.286 24.823 1.00 12.93 H new ATOM 0 HD3 PRO A 58 23.360 11.742 24.595 1.00 12.93 H new ATOM 455 N GLU A 59 21.492 15.659 24.531 1.00 16.51 N ATOM 456 CA GLU A 59 20.646 16.710 24.782 1.00 10.57 C ATOM 457 C GLU A 59 21.380 17.783 25.704 1.00 11.24 C ATOM 458 O GLU A 59 21.481 19.008 25.389 1.00 14.37 O ATOM 459 CB GLU A 59 19.306 16.173 25.486 1.00 14.12 C ATOM 460 CG GLU A 59 18.159 15.592 24.531 1.00 51.96 C ATOM 461 CD GLU A 59 16.836 15.694 25.257 1.00 68.81 C ATOM 462 OE1 GLU A 59 16.588 16.854 25.552 1.00 61.08 O ATOM 463 OE2 GLU A 59 16.288 14.706 25.943 1.00 52.30 O ATOM 0 H GLU A 59 21.255 14.892 24.840 1.00 16.51 H new ATOM 0 HA GLU A 59 20.403 17.138 23.946 1.00 10.57 H new ATOM 0 HB2 GLU A 59 19.555 15.477 26.114 1.00 14.12 H new ATOM 0 HB3 GLU A 59 18.926 16.900 26.004 1.00 14.12 H new ATOM 0 HG2 GLU A 59 18.127 16.091 23.700 1.00 51.96 H new ATOM 0 HG3 GLU A 59 18.347 14.669 24.301 1.00 51.96 H new ATOM 464 N LEU A 60 21.870 17.300 26.784 1.00 11.43 N ATOM 465 CA LEU A 60 22.671 18.180 27.744 1.00 9.12 C ATOM 466 C LEU A 60 23.877 19.019 27.051 1.00 7.78 C ATOM 467 O LEU A 60 24.165 20.264 27.287 1.00 14.12 O ATOM 468 CB LEU A 60 23.125 17.324 28.900 1.00 14.40 C ATOM 469 CG LEU A 60 23.910 18.152 30.040 1.00 18.96 C ATOM 470 CD1 LEU A 60 23.626 17.455 31.405 1.00 7.99 C ATOM 471 CD2 LEU A 60 25.451 18.483 29.788 1.00 9.70 C ATOM 0 H LEU A 60 21.785 16.481 27.032 1.00 11.43 H new ATOM 0 HA LEU A 60 22.087 18.884 28.068 1.00 9.12 H new ATOM 0 HB2 LEU A 60 22.352 16.892 29.297 1.00 14.40 H new ATOM 0 HB3 LEU A 60 23.702 16.620 28.565 1.00 14.40 H new ATOM 0 HG LEU A 60 23.555 19.054 30.027 1.00 18.96 H new ATOM 0 HD11 LEU A 60 24.086 17.931 32.114 1.00 7.99 H new ATOM 0 HD12 LEU A 60 22.672 17.460 31.579 1.00 7.99 H new ATOM 0 HD13 LEU A 60 23.943 16.539 31.373 1.00 7.99 H new ATOM 0 HD21 LEU A 60 25.803 18.981 30.543 1.00 9.70 H new ATOM 0 HD22 LEU A 60 25.948 17.656 29.687 1.00 9.70 H new ATOM 0 HD23 LEU A 60 25.540 19.014 28.981 1.00 9.70 H new ATOM 472 N GLN A 61 24.561 18.347 26.240 1.00 5.54 N ATOM 473 CA GLN A 61 25.790 19.016 25.578 1.00 9.83 C ATOM 474 C GLN A 61 25.511 20.089 24.582 1.00 15.66 C ATOM 475 O GLN A 61 26.274 21.216 24.569 1.00 6.99 O ATOM 476 CB GLN A 61 26.564 17.988 24.892 1.00 9.63 C ATOM 477 CG GLN A 61 27.190 17.131 25.931 1.00 9.02 C ATOM 478 CD GLN A 61 27.872 16.062 25.227 1.00 15.30 C ATOM 479 OE1 GLN A 61 27.617 15.943 23.941 1.00 20.21 O flip ATOM 480 NE2 GLN A 61 28.258 15.141 25.916 1.00 7.92 N flip ATOM 0 H GLN A 61 24.408 17.532 26.012 1.00 5.54 H new ATOM 0 HA GLN A 61 26.255 19.447 26.312 1.00 9.83 H new ATOM 0 HB2 GLN A 61 25.992 17.460 24.313 1.00 9.63 H new ATOM 0 HB3 GLN A 61 27.243 18.391 24.328 1.00 9.63 H new ATOM 0 HG2 GLN A 61 27.814 17.642 26.470 1.00 9.02 H new ATOM 0 HG3 GLN A 61 26.519 16.774 26.534 1.00 9.02 H new ATOM 0 HE21 GLN A 61 28.412 15.265 26.753 1.00 7.92 H new ATOM 0 HE22 GLN A 61 28.378 14.364 25.567 1.00 7.92 H new ATOM 481 N ALA A 62 24.411 19.759 23.848 1.00 14.07 N ATOM 482 CA ALA A 62 23.991 20.682 22.845 1.00 19.01 C ATOM 483 C ALA A 62 23.455 21.879 23.474 1.00 21.34 C ATOM 484 O ALA A 62 23.864 23.049 23.045 1.00 15.25 O ATOM 485 CB ALA A 62 22.903 19.946 21.911 1.00 16.56 C ATOM 0 H ALA A 62 23.942 19.043 23.931 1.00 14.07 H new ATOM 0 HA ALA A 62 24.737 20.962 22.291 1.00 19.01 H new ATOM 0 HB1 ALA A 62 22.603 20.557 21.220 1.00 16.56 H new ATOM 0 HB2 ALA A 62 23.305 19.165 21.499 1.00 16.56 H new ATOM 0 HB3 ALA A 62 22.145 19.672 22.451 1.00 16.56 H new ATOM 486 N HIS A 63 22.698 21.598 24.545 1.00 11.96 N ATOM 487 CA HIS A 63 22.214 22.657 25.343 1.00 15.61 C ATOM 488 C HIS A 63 23.373 23.681 25.908 1.00 19.33 C ATOM 489 O HIS A 63 23.453 24.921 25.636 1.00 13.78 O ATOM 490 CB HIS A 63 21.339 21.996 26.503 1.00 4.87 C ATOM 491 CG HIS A 63 20.860 23.055 27.433 1.00 11.15 C ATOM 492 ND1 HIS A 63 19.606 23.473 27.256 1.00 24.20 N ATOM 493 CD2 HIS A 63 21.477 23.695 28.500 1.00 18.17 C ATOM 494 CE1 HIS A 63 19.466 24.408 28.271 1.00 21.65 C ATOM 495 NE2 HIS A 63 20.645 24.546 29.046 1.00 12.92 N ATOM 0 H HIS A 63 22.472 20.808 24.800 1.00 11.96 H new ATOM 0 HA HIS A 63 21.672 23.246 24.795 1.00 15.61 H new ATOM 0 HB2 HIS A 63 20.584 21.523 26.121 1.00 4.87 H new ATOM 0 HB3 HIS A 63 21.868 21.343 26.987 1.00 4.87 H new ATOM 0 HD2 HIS A 63 22.349 23.542 28.784 1.00 18.17 H new ATOM 0 HE1 HIS A 63 18.686 24.890 28.426 1.00 21.65 H new ATOM 0 HE2 HIS A 63 20.782 25.066 29.717 1.00 12.92 H new ATOM 496 N ALA A 64 24.212 23.175 26.717 1.00 15.06 N ATOM 497 CA ALA A 64 25.308 24.055 27.396 1.00 9.28 C ATOM 498 C ALA A 64 26.326 24.814 26.420 1.00 16.21 C ATOM 499 O ALA A 64 26.805 26.027 26.651 1.00 16.20 O ATOM 500 CB ALA A 64 26.022 23.267 28.425 1.00 10.77 C ATOM 0 H ALA A 64 24.232 22.344 26.937 1.00 15.06 H new ATOM 0 HA ALA A 64 24.819 24.786 27.806 1.00 9.28 H new ATOM 0 HB1 ALA A 64 26.701 23.820 28.843 1.00 10.77 H new ATOM 0 HB2 ALA A 64 25.391 22.967 29.098 1.00 10.77 H new ATOM 0 HB3 ALA A 64 26.442 22.498 28.010 1.00 10.77 H new ATOM 501 N GLY A 65 26.468 24.186 25.278 1.00 12.00 N ATOM 502 CA GLY A 65 27.295 24.828 24.174 1.00 13.51 C ATOM 503 C GLY A 65 26.773 26.087 23.651 1.00 34.28 C ATOM 504 O GLY A 65 27.586 27.169 23.486 1.00 16.61 O ATOM 0 H GLY A 65 26.126 23.420 25.088 1.00 12.00 H new ATOM 0 HA2 GLY A 65 28.192 24.982 24.511 1.00 13.51 H new ATOM 0 HA3 GLY A 65 27.372 24.198 23.441 1.00 13.51 H new ATOM 505 N LYS A 66 25.446 25.944 23.473 1.00 18.40 N ATOM 506 CA LYS A 66 24.747 27.044 22.980 1.00 11.99 C ATOM 507 C LYS A 66 24.861 28.234 23.944 1.00 25.30 C ATOM 508 O LYS A 66 25.028 29.418 23.487 1.00 19.06 O ATOM 509 CB LYS A 66 23.233 26.539 22.725 1.00 15.55 C ATOM 510 CG LYS A 66 23.016 25.557 21.532 1.00 57.86 C ATOM 511 CD LYS A 66 21.546 24.819 21.422 1.00 60.29 C ATOM 512 CE LYS A 66 20.525 25.774 21.088 1.00 57.85 C ATOM 513 NZ LYS A 66 19.174 24.981 20.900 0.00 0.00 N ATOM 0 H LYS A 66 24.985 25.236 23.635 1.00 18.40 H new ATOM 0 HA LYS A 66 25.113 27.375 22.145 1.00 11.99 H new ATOM 0 HB2 LYS A 66 22.917 26.108 23.534 1.00 15.55 H new ATOM 0 HB3 LYS A 66 22.673 27.318 22.582 1.00 15.55 H new ATOM 0 HG2 LYS A 66 23.169 26.046 20.708 1.00 57.86 H new ATOM 0 HG3 LYS A 66 23.696 24.867 21.583 1.00 57.86 H new ATOM 0 HD2 LYS A 66 21.578 24.123 20.748 1.00 60.29 H new ATOM 0 HD3 LYS A 66 21.331 24.389 22.264 1.00 60.29 H new ATOM 0 HE2 LYS A 66 20.436 26.437 21.790 1.00 57.85 H new ATOM 0 HE3 LYS A 66 20.757 26.250 20.275 1.00 57.85 H new ATOM 0 HZ1 LYS A 66 18.522 25.550 20.692 0.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.268 24.385 20.245 0.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.969 24.560 21.657 0.00 0.00 H new ATOM 514 N VAL A 67 24.748 27.914 25.222 1.00 15.22 N ATOM 515 CA VAL A 67 24.848 28.965 26.257 1.00 21.09 C ATOM 516 C VAL A 67 26.223 29.867 26.237 1.00 17.15 C ATOM 517 O VAL A 67 26.294 31.134 26.194 1.00 16.31 O ATOM 518 CB VAL A 67 24.584 28.342 27.660 1.00 15.55 C ATOM 519 CG1 VAL A 67 24.820 29.427 28.768 1.00 11.37 C ATOM 520 CG2 VAL A 67 23.153 27.518 27.756 1.00 8.50 C ATOM 0 H VAL A 67 24.616 27.118 25.519 1.00 15.22 H new ATOM 0 HA VAL A 67 24.159 29.612 26.040 1.00 21.09 H new ATOM 0 HB VAL A 67 25.231 27.638 27.822 1.00 15.55 H new ATOM 0 HG11 VAL A 67 24.656 29.039 29.642 1.00 11.37 H new ATOM 0 HG12 VAL A 67 25.736 29.743 28.722 1.00 11.37 H new ATOM 0 HG13 VAL A 67 24.215 30.171 28.626 1.00 11.37 H new ATOM 0 HG21 VAL A 67 23.047 27.156 28.650 1.00 8.50 H new ATOM 0 HG22 VAL A 67 22.418 28.121 27.563 1.00 8.50 H new ATOM 0 HG23 VAL A 67 23.153 26.793 27.112 1.00 8.50 H new ATOM 521 N PHE A 68 27.271 29.218 26.168 1.00 12.01 N ATOM 522 CA PHE A 68 28.645 29.976 26.152 1.00 15.38 C ATOM 523 C PHE A 68 28.960 30.757 24.857 1.00 18.03 C ATOM 524 O PHE A 68 29.635 31.926 24.901 1.00 17.25 O ATOM 525 CB PHE A 68 29.718 29.066 26.422 1.00 11.69 C ATOM 526 CG PHE A 68 29.838 28.758 27.924 1.00 19.55 C ATOM 527 CD1 PHE A 68 30.924 29.401 28.647 1.00 15.85 C ATOM 528 CD2 PHE A 68 28.885 27.814 28.538 1.00 8.41 C ATOM 529 CE1 PHE A 68 31.064 29.095 29.989 1.00 9.72 C ATOM 530 CE2 PHE A 68 29.016 27.500 29.876 1.00 7.53 C ATOM 531 CZ PHE A 68 30.107 28.141 30.604 1.00 18.59 C ATOM 0 H PHE A 68 27.320 28.360 26.126 1.00 12.01 H new ATOM 0 HA PHE A 68 28.561 30.644 26.850 1.00 15.38 H new ATOM 0 HB2 PHE A 68 29.574 28.241 25.933 1.00 11.69 H new ATOM 0 HB3 PHE A 68 30.552 29.444 26.101 1.00 11.69 H new ATOM 0 HD1 PHE A 68 31.502 29.994 28.224 1.00 15.85 H new ATOM 0 HD2 PHE A 68 28.204 27.435 28.030 1.00 8.41 H new ATOM 0 HE1 PHE A 68 31.743 29.479 30.495 1.00 9.72 H new ATOM 0 HE2 PHE A 68 28.435 26.907 30.295 1.00 7.53 H new ATOM 0 HZ PHE A 68 30.209 27.940 31.506 1.00 18.59 H new ATOM 532 N LYS A 69 28.359 30.190 23.784 1.00 11.46 N ATOM 533 CA LYS A 69 28.546 30.879 22.495 1.00 7.08 C ATOM 534 C LYS A 69 27.903 32.166 22.434 1.00 9.72 C ATOM 535 O LYS A 69 28.555 33.215 21.925 1.00 11.70 O ATOM 536 CB LYS A 69 28.031 29.943 21.330 1.00 9.23 C ATOM 537 CG LYS A 69 28.623 30.541 19.998 1.00 18.74 C ATOM 538 CD LYS A 69 27.750 29.967 18.806 1.00 48.40 C ATOM 539 CE LYS A 69 26.290 30.256 18.976 1.00 56.54 C ATOM 540 NZ LYS A 69 25.495 29.861 17.767 0.00 0.00 N ATOM 0 H LYS A 69 27.883 29.474 23.779 1.00 11.46 H new ATOM 0 HA LYS A 69 29.495 31.054 22.394 1.00 7.08 H new ATOM 0 HB2 LYS A 69 28.328 29.029 21.462 1.00 9.23 H new ATOM 0 HB3 LYS A 69 27.062 29.925 21.302 1.00 9.23 H new ATOM 0 HG2 LYS A 69 28.590 31.510 20.012 1.00 18.74 H new ATOM 0 HG3 LYS A 69 29.554 30.291 19.893 1.00 18.74 H new ATOM 0 HD2 LYS A 69 28.058 30.350 17.970 1.00 48.40 H new ATOM 0 HD3 LYS A 69 27.882 29.008 18.744 1.00 48.40 H new ATOM 0 HE2 LYS A 69 25.955 29.780 19.752 1.00 56.54 H new ATOM 0 HE3 LYS A 69 26.166 31.202 19.148 1.00 56.54 H new ATOM 0 HZ1 LYS A 69 24.635 30.046 17.903 0.00 0.00 H new ATOM 0 HZ2 LYS A 69 25.787 30.314 17.058 0.00 0.00 H new ATOM 0 HZ3 LYS A 69 25.590 28.988 17.621 0.00 0.00 H new ATOM 541 N LEU A 70 26.723 32.124 23.035 1.00 10.57 N ATOM 542 CA LEU A 70 26.034 33.319 23.105 1.00 8.07 C ATOM 543 C LEU A 70 26.808 34.465 23.926 1.00 19.49 C ATOM 544 O LEU A 70 26.861 35.658 23.518 1.00 14.71 O ATOM 545 CB LEU A 70 24.593 32.999 23.680 1.00 4.39 C ATOM 546 CG LEU A 70 23.616 32.128 22.728 1.00 21.85 C ATOM 547 CD1 LEU A 70 22.193 31.798 23.344 1.00 26.44 C ATOM 548 CD2 LEU A 70 23.583 32.807 21.348 1.00 27.22 C ATOM 0 H LEU A 70 26.346 31.434 23.383 1.00 10.57 H new ATOM 0 HA LEU A 70 25.958 33.702 22.217 1.00 8.07 H new ATOM 0 HB2 LEU A 70 24.699 32.527 24.520 1.00 4.39 H new ATOM 0 HB3 LEU A 70 24.152 33.839 23.881 1.00 4.39 H new ATOM 0 HG LEU A 70 23.981 31.234 22.636 1.00 21.85 H new ATOM 0 HD11 LEU A 70 21.678 31.276 22.709 1.00 26.44 H new ATOM 0 HD12 LEU A 70 22.305 31.291 24.163 1.00 26.44 H new ATOM 0 HD13 LEU A 70 21.724 32.625 23.538 1.00 26.44 H new ATOM 0 HD21 LEU A 70 23.003 32.305 20.754 1.00 27.22 H new ATOM 0 HD22 LEU A 70 23.246 33.712 21.440 1.00 27.22 H new ATOM 0 HD23 LEU A 70 24.479 32.833 20.978 1.00 27.22 H new ATOM 549 N VAL A 71 27.383 34.122 25.035 1.00 8.81 N ATOM 550 CA VAL A 71 28.154 35.185 25.870 1.00 10.98 C ATOM 551 C VAL A 71 29.471 35.828 25.205 1.00 21.60 C ATOM 552 O VAL A 71 29.799 37.095 25.187 1.00 13.59 O ATOM 553 CB VAL A 71 28.401 34.682 27.295 1.00 11.33 C ATOM 554 CG1 VAL A 71 29.251 35.790 28.147 1.00 4.01 C ATOM 555 CG2 VAL A 71 27.055 34.144 28.002 1.00 3.64 C ATOM 0 H VAL A 71 27.378 33.328 25.366 1.00 8.81 H new ATOM 0 HA VAL A 71 27.552 35.946 25.894 1.00 10.98 H new ATOM 0 HB VAL A 71 28.961 33.891 27.261 1.00 11.33 H new ATOM 0 HG11 VAL A 71 29.401 35.461 29.047 1.00 4.01 H new ATOM 0 HG12 VAL A 71 30.105 35.946 27.714 1.00 4.01 H new ATOM 0 HG13 VAL A 71 28.752 36.621 28.186 1.00 4.01 H new ATOM 0 HG21 VAL A 71 27.261 33.837 28.899 1.00 3.64 H new ATOM 0 HG22 VAL A 71 26.404 34.862 28.048 1.00 3.64 H new ATOM 0 HG23 VAL A 71 26.689 33.409 27.485 1.00 3.64 H new ATOM 556 N TYR A 72 30.071 34.983 24.497 1.00 21.55 N ATOM 557 CA TYR A 72 31.266 35.431 23.663 1.00 11.99 C ATOM 558 C TYR A 72 30.945 36.358 22.535 1.00 12.40 C ATOM 559 O TYR A 72 31.725 37.449 22.311 1.00 16.96 O ATOM 560 CB TYR A 72 31.842 34.177 23.135 1.00 11.36 C ATOM 561 CG TYR A 72 32.673 34.429 21.837 1.00 5.46 C ATOM 562 CD1 TYR A 72 32.132 33.867 20.662 1.00 24.66 C ATOM 563 CD2 TYR A 72 33.931 35.224 21.834 1.00 10.46 C ATOM 564 CE1 TYR A 72 32.838 34.104 19.473 1.00 24.31 C ATOM 565 CE2 TYR A 72 34.645 35.467 20.647 1.00 8.48 C ATOM 566 CZ TYR A 72 34.092 34.907 19.468 1.00 21.56 C ATOM 567 OH TYR A 72 34.817 35.159 18.235 1.00 34.94 O ATOM 0 H TYR A 72 29.866 34.150 24.436 1.00 21.55 H new ATOM 0 HA TYR A 72 31.868 35.948 24.221 1.00 11.99 H new ATOM 0 HB2 TYR A 72 32.409 33.771 23.809 1.00 11.36 H new ATOM 0 HB3 TYR A 72 31.129 33.547 22.947 1.00 11.36 H new ATOM 0 HD1 TYR A 72 31.349 33.366 20.675 1.00 24.66 H new ATOM 0 HD2 TYR A 72 34.253 35.568 22.636 1.00 10.46 H new ATOM 0 HE1 TYR A 72 32.517 33.753 18.674 1.00 24.31 H new ATOM 0 HE2 TYR A 72 35.431 35.964 20.636 1.00 8.48 H new ATOM 0 HH TYR A 72 35.497 35.624 18.400 1.00 34.94 H new ATOM 568 N GLU A 73 29.812 35.957 21.871 1.00 16.27 N ATOM 569 CA GLU A 73 29.424 36.753 20.744 1.00 13.49 C ATOM 570 C GLU A 73 29.057 38.104 21.200 1.00 14.57 C ATOM 571 O GLU A 73 29.467 39.155 20.537 1.00 15.41 O ATOM 572 CB GLU A 73 28.254 35.963 19.926 1.00 11.70 C ATOM 573 CG GLU A 73 28.701 34.763 19.169 1.00 30.57 C ATOM 574 CD GLU A 73 27.554 34.082 18.277 1.00 38.32 C ATOM 575 OE1 GLU A 73 27.815 33.296 17.366 1.00 40.55 O ATOM 576 OE2 GLU A 73 26.340 34.094 18.598 1.00 34.04 O ATOM 0 H GLU A 73 29.315 35.281 22.062 1.00 16.27 H new ATOM 0 HA GLU A 73 30.155 36.881 20.119 1.00 13.49 H new ATOM 0 HB2 GLU A 73 27.568 35.692 20.555 1.00 11.70 H new ATOM 0 HB3 GLU A 73 27.841 36.583 19.305 1.00 11.70 H new ATOM 0 HG2 GLU A 73 29.439 35.014 18.592 1.00 30.57 H new ATOM 0 HG3 GLU A 73 29.042 34.106 19.796 1.00 30.57 H new ATOM 577 N ALA A 74 28.449 38.074 22.373 1.00 12.42 N ATOM 578 CA ALA A 74 28.111 39.298 23.022 1.00 14.79 C ATOM 579 C ALA A 74 29.366 40.323 23.317 1.00 8.32 C ATOM 580 O ALA A 74 29.380 41.551 23.044 1.00 12.98 O ATOM 581 CB ALA A 74 27.335 38.953 24.337 1.00 16.37 C ATOM 0 H ALA A 74 28.230 37.359 22.797 1.00 12.42 H new ATOM 0 HA ALA A 74 27.558 39.799 22.402 1.00 14.79 H new ATOM 0 HB1 ALA A 74 27.095 39.773 24.796 1.00 16.37 H new ATOM 0 HB2 ALA A 74 26.530 38.458 24.118 1.00 16.37 H new ATOM 0 HB3 ALA A 74 27.899 38.414 24.914 1.00 16.37 H new ATOM 582 N ALA A 75 30.399 39.802 23.792 1.00 10.41 N ATOM 583 CA ALA A 75 31.696 40.644 24.101 1.00 7.31 C ATOM 584 C ALA A 75 32.373 41.335 22.866 1.00 12.23 C ATOM 585 O ALA A 75 32.968 42.535 22.938 1.00 18.11 O ATOM 586 CB ALA A 75 32.678 39.806 24.763 1.00 4.69 C ATOM 0 H ALA A 75 30.469 38.965 23.978 1.00 10.41 H new ATOM 0 HA ALA A 75 31.388 41.367 24.669 1.00 7.31 H new ATOM 0 HB1 ALA A 75 33.474 40.327 24.951 1.00 4.69 H new ATOM 0 HB2 ALA A 75 32.308 39.469 25.594 1.00 4.69 H new ATOM 0 HB3 ALA A 75 32.909 39.061 24.187 1.00 4.69 H new ATOM 587 N ILE A 76 32.275 40.606 21.767 1.00 17.49 N ATOM 588 CA ILE A 76 32.894 41.197 20.531 1.00 14.30 C ATOM 589 C ILE A 76 32.081 42.238 19.980 1.00 25.10 C ATOM 590 O ILE A 76 32.676 43.386 19.633 1.00 12.02 O ATOM 591 CB ILE A 76 33.003 40.112 19.455 1.00 19.75 C ATOM 592 CG1 ILE A 76 33.775 38.994 19.970 1.00 20.87 C ATOM 593 CG2 ILE A 76 33.620 40.743 18.141 1.00 16.69 C ATOM 594 CD1 ILE A 76 35.241 39.549 20.381 1.00 15.26 C ATOM 0 H ILE A 76 31.898 39.837 21.688 1.00 17.49 H new ATOM 0 HA ILE A 76 33.760 41.553 20.784 1.00 14.30 H new ATOM 0 HB ILE A 76 32.128 39.765 19.222 1.00 19.75 H new ATOM 0 HG12 ILE A 76 33.333 38.601 20.739 1.00 20.87 H new ATOM 0 HG13 ILE A 76 33.851 38.297 19.300 1.00 20.87 H new ATOM 0 HG21 ILE A 76 33.691 40.060 17.456 1.00 16.69 H new ATOM 0 HG22 ILE A 76 33.046 41.458 17.825 1.00 16.69 H new ATOM 0 HG23 ILE A 76 34.501 41.098 18.335 1.00 16.69 H new ATOM 0 HD11 ILE A 76 35.778 38.820 20.729 1.00 15.26 H new ATOM 0 HD12 ILE A 76 35.675 39.925 19.600 1.00 15.26 H new ATOM 0 HD13 ILE A 76 35.149 40.235 21.061 1.00 15.26 H new ATOM 595 N GLN A 77 30.757 41.878 20.042 1.00 4.50 N ATOM 596 CA GLN A 77 29.863 42.813 19.602 1.00 8.41 C ATOM 597 C GLN A 77 30.021 44.123 20.418 1.00 21.07 C ATOM 598 O GLN A 77 30.152 45.241 19.829 1.00 15.59 O ATOM 599 CB GLN A 77 28.381 42.103 19.530 1.00 11.74 C ATOM 600 CG GLN A 77 27.495 42.961 18.747 1.00 20.31 C ATOM 601 CD GLN A 77 26.113 42.123 18.498 1.00 21.68 C ATOM 602 OE1 GLN A 77 25.454 41.680 19.582 1.00 21.90 O flip ATOM 603 NE2 GLN A 77 25.765 41.757 17.329 1.00 4.66 N flip ATOM 0 H GLN A 77 30.437 41.132 20.326 1.00 4.50 H new ATOM 0 HA GLN A 77 30.026 43.119 18.696 1.00 8.41 H new ATOM 0 HB2 GLN A 77 28.447 41.225 19.123 1.00 11.74 H new ATOM 0 HB3 GLN A 77 28.024 41.975 20.423 1.00 11.74 H new ATOM 0 HG2 GLN A 77 27.314 43.789 19.219 1.00 20.31 H new ATOM 0 HG3 GLN A 77 27.908 43.201 17.903 1.00 20.31 H new ATOM 0 HE21 GLN A 77 26.194 42.047 16.642 1.00 4.66 H new ATOM 0 HE22 GLN A 77 25.101 41.220 17.226 1.00 4.66 H new ATOM 604 N LEU A 78 30.266 44.019 21.704 1.00 17.79 N ATOM 605 CA LEU A 78 30.595 45.226 22.561 1.00 10.83 C ATOM 606 C LEU A 78 31.924 46.093 22.166 1.00 8.20 C ATOM 607 O LEU A 78 32.008 47.356 22.107 1.00 21.08 O ATOM 608 CB LEU A 78 30.713 44.812 24.030 1.00 15.78 C ATOM 609 CG LEU A 78 29.337 44.546 24.741 1.00 18.95 C ATOM 610 CD1 LEU A 78 29.405 43.673 26.001 1.00 16.51 C ATOM 611 CD2 LEU A 78 28.826 45.889 25.065 1.00 9.93 C ATOM 0 H LEU A 78 30.256 43.274 22.133 1.00 17.79 H new ATOM 0 HA LEU A 78 29.848 45.821 22.391 1.00 10.83 H new ATOM 0 HB2 LEU A 78 31.254 44.009 24.086 1.00 15.78 H new ATOM 0 HB3 LEU A 78 31.186 45.507 24.514 1.00 15.78 H new ATOM 0 HG LEU A 78 28.763 44.033 24.151 1.00 18.95 H new ATOM 0 HD11 LEU A 78 28.514 43.565 26.368 1.00 16.51 H new ATOM 0 HD12 LEU A 78 29.768 42.803 25.773 1.00 16.51 H new ATOM 0 HD13 LEU A 78 29.976 44.099 26.660 1.00 16.51 H new ATOM 0 HD21 LEU A 78 27.969 45.810 25.512 1.00 9.93 H new ATOM 0 HD22 LEU A 78 29.454 46.342 25.649 1.00 9.93 H new ATOM 0 HD23 LEU A 78 28.719 46.400 24.248 1.00 9.93 H new ATOM 612 N GLU A 79 32.904 45.424 21.851 1.00 11.43 N ATOM 613 CA GLU A 79 34.226 46.150 21.468 1.00 4.52 C ATOM 614 C GLU A 79 34.173 46.875 20.133 1.00 17.80 C ATOM 615 O GLU A 79 34.733 48.083 20.016 1.00 23.04 O ATOM 616 CB GLU A 79 35.277 45.176 21.438 1.00 14.71 C ATOM 617 CG GLU A 79 36.749 45.909 21.346 1.00 10.56 C ATOM 618 CD GLU A 79 37.304 45.739 19.947 1.00 39.06 C ATOM 619 OE1 GLU A 79 36.982 44.631 19.348 1.00 36.77 O ATOM 620 OE2 GLU A 79 37.764 46.777 19.283 1.00 36.87 O ATOM 0 H GLU A 79 32.930 44.565 21.821 1.00 11.43 H new ATOM 0 HA GLU A 79 34.381 46.835 22.137 1.00 4.52 H new ATOM 0 HB2 GLU A 79 35.235 44.624 22.234 1.00 14.71 H new ATOM 0 HB3 GLU A 79 35.156 44.587 20.677 1.00 14.71 H new ATOM 0 HG2 GLU A 79 36.667 46.851 21.561 1.00 10.56 H new ATOM 0 HG3 GLU A 79 37.356 45.522 21.996 1.00 10.56 H new ATOM 621 N VAL A 80 33.510 46.155 19.178 1.00 11.29 N ATOM 622 CA VAL A 80 33.367 46.658 17.811 1.00 20.43 C ATOM 623 C VAL A 80 32.462 47.752 17.712 1.00 28.29 C ATOM 624 O VAL A 80 32.843 48.806 17.042 1.00 24.52 O ATOM 625 CB VAL A 80 32.833 45.459 16.882 1.00 5.35 C ATOM 626 CG1 VAL A 80 32.415 45.906 15.488 1.00 14.93 C ATOM 627 CG2 VAL A 80 33.901 44.514 16.759 1.00 14.25 C ATOM 0 H VAL A 80 33.148 45.387 19.317 1.00 11.29 H new ATOM 0 HA VAL A 80 34.237 46.978 17.525 1.00 20.43 H new ATOM 0 HB VAL A 80 32.041 45.086 17.300 1.00 5.35 H new ATOM 0 HG11 VAL A 80 32.105 45.139 14.982 1.00 14.93 H new ATOM 0 HG12 VAL A 80 31.700 46.558 15.558 1.00 14.93 H new ATOM 0 HG13 VAL A 80 33.174 46.306 15.035 1.00 14.93 H new ATOM 0 HG21 VAL A 80 33.615 43.773 16.203 1.00 14.25 H new ATOM 0 HG22 VAL A 80 34.669 44.945 16.353 1.00 14.25 H new ATOM 0 HG23 VAL A 80 34.143 44.183 17.638 1.00 14.25 H new ATOM 628 N THR A 81 31.251 47.447 18.237 1.00 11.10 N ATOM 629 CA THR A 81 30.202 48.287 18.016 1.00 16.50 C ATOM 630 C THR A 81 29.973 49.173 19.204 1.00 12.06 C ATOM 631 O THR A 81 29.398 50.186 19.020 1.00 15.44 O ATOM 632 CB THR A 81 28.849 47.410 17.646 1.00 3.64 C ATOM 633 OG1 THR A 81 28.263 46.697 18.803 1.00 17.24 O ATOM 634 CG2 THR A 81 29.011 46.409 16.514 1.00 11.93 C ATOM 0 H THR A 81 31.077 46.751 18.712 1.00 11.10 H new ATOM 0 HA THR A 81 30.409 48.861 17.262 1.00 16.50 H new ATOM 0 HB THR A 81 28.245 48.108 17.348 1.00 3.64 H new ATOM 0 HG1 THR A 81 28.874 46.322 19.241 1.00 17.24 H new ATOM 0 HG21 THR A 81 28.172 45.945 16.370 1.00 11.93 H new ATOM 0 HG22 THR A 81 29.266 46.876 15.703 1.00 11.93 H new ATOM 0 HG23 THR A 81 29.699 45.766 16.746 1.00 11.93 H new ATOM 635 N GLY A 82 30.277 48.734 20.387 1.00 11.09 N ATOM 636 CA GLY A 82 30.009 49.463 21.609 1.00 8.94 C ATOM 637 C GLY A 82 28.693 48.882 22.312 1.00 13.00 C ATOM 638 O GLY A 82 28.392 49.349 23.420 1.00 14.54 O ATOM 0 H GLY A 82 30.660 47.975 20.519 1.00 11.09 H new ATOM 0 HA2 GLY A 82 30.766 49.390 22.211 1.00 8.94 H new ATOM 0 HA3 GLY A 82 29.892 50.406 21.414 1.00 8.94 H new ATOM 639 N VAL A 83 27.883 47.942 21.668 1.00 15.33 N ATOM 640 CA VAL A 83 26.594 47.304 22.265 1.00 17.15 C ATOM 641 C VAL A 83 26.389 45.761 22.189 1.00 14.22 C ATOM 642 O VAL A 83 26.999 45.200 21.304 1.00 16.66 O ATOM 643 CB VAL A 83 25.378 47.828 21.596 1.00 8.46 C ATOM 644 CG1 VAL A 83 25.416 49.359 21.797 1.00 17.66 C ATOM 645 CG2 VAL A 83 25.236 47.456 20.101 1.00 14.89 C ATOM 0 H VAL A 83 28.059 47.654 20.877 1.00 15.33 H new ATOM 0 HA VAL A 83 26.724 47.543 23.196 1.00 17.15 H new ATOM 0 HB VAL A 83 24.597 47.415 21.996 1.00 8.46 H new ATOM 0 HG11 VAL A 83 24.639 49.760 21.377 1.00 17.66 H new ATOM 0 HG12 VAL A 83 25.411 49.561 22.746 1.00 17.66 H new ATOM 0 HG13 VAL A 83 26.222 49.718 21.395 1.00 17.66 H new ATOM 0 HG21 VAL A 83 24.417 47.839 19.748 1.00 14.89 H new ATOM 0 HG22 VAL A 83 25.994 47.805 19.607 1.00 14.89 H new ATOM 0 HG23 VAL A 83 25.207 46.491 20.009 1.00 14.89 H new ATOM 646 N VAL A 84 25.335 45.136 22.854 1.00 15.85 N ATOM 647 CA VAL A 84 24.705 43.751 22.515 1.00 22.06 C ATOM 648 C VAL A 84 23.393 43.802 21.756 1.00 12.88 C ATOM 649 O VAL A 84 22.506 44.397 22.281 1.00 20.73 O ATOM 650 CB VAL A 84 24.397 42.864 23.777 1.00 15.13 C ATOM 651 CG1 VAL A 84 23.572 41.474 23.446 1.00 14.88 C ATOM 652 CG2 VAL A 84 25.696 42.690 24.535 1.00 19.37 C ATOM 0 H VAL A 84 24.952 45.506 23.530 1.00 15.85 H new ATOM 0 HA VAL A 84 25.405 43.369 21.962 1.00 22.06 H new ATOM 0 HB VAL A 84 23.761 43.316 24.354 1.00 15.13 H new ATOM 0 HG11 VAL A 84 23.420 40.984 24.269 1.00 14.88 H new ATOM 0 HG12 VAL A 84 22.719 41.693 23.039 1.00 14.88 H new ATOM 0 HG13 VAL A 84 24.091 40.927 22.835 1.00 14.88 H new ATOM 0 HG21 VAL A 84 25.541 42.145 25.323 1.00 19.37 H new ATOM 0 HG22 VAL A 84 26.348 42.254 23.964 1.00 19.37 H new ATOM 0 HG23 VAL A 84 26.033 43.559 24.804 1.00 19.37 H new ATOM 653 N VAL A 85 23.335 43.350 20.515 1.00 13.02 N ATOM 654 CA VAL A 85 22.152 43.388 19.649 1.00 16.50 C ATOM 655 C VAL A 85 21.002 42.233 19.936 1.00 17.06 C ATOM 656 O VAL A 85 21.168 41.024 19.762 1.00 23.08 O ATOM 657 CB VAL A 85 22.560 43.360 18.162 1.00 16.21 C ATOM 658 CG1 VAL A 85 21.349 43.328 17.198 1.00 20.06 C ATOM 659 CG2 VAL A 85 23.697 44.534 17.824 1.00 27.40 C ATOM 0 H VAL A 85 24.015 42.993 20.129 1.00 13.02 H new ATOM 0 HA VAL A 85 21.725 44.229 19.876 1.00 16.50 H new ATOM 0 HB VAL A 85 23.002 42.513 17.994 1.00 16.21 H new ATOM 0 HG11 VAL A 85 21.665 43.311 16.281 1.00 20.06 H new ATOM 0 HG12 VAL A 85 20.818 42.535 17.371 1.00 20.06 H new ATOM 0 HG13 VAL A 85 20.804 44.118 17.337 1.00 20.06 H new ATOM 0 HG21 VAL A 85 23.935 44.494 16.884 1.00 27.40 H new ATOM 0 HG22 VAL A 85 23.330 45.409 18.027 1.00 27.40 H new ATOM 0 HG23 VAL A 85 24.489 44.383 18.364 1.00 27.40 H new ATOM 660 N THR A 86 19.866 42.598 20.354 1.00 20.73 N ATOM 661 CA THR A 86 18.651 41.600 20.555 1.00 38.64 C ATOM 662 C THR A 86 18.045 41.092 19.219 1.00 26.97 C ATOM 663 O THR A 86 17.520 41.887 18.483 1.00 40.02 O ATOM 664 CB THR A 86 17.556 42.221 21.310 1.00 34.66 C ATOM 665 OG1 THR A 86 18.126 43.003 22.429 1.00 40.82 O ATOM 666 CG2 THR A 86 16.390 41.124 21.765 1.00 39.65 C ATOM 0 H THR A 86 19.680 43.413 20.556 1.00 20.73 H new ATOM 0 HA THR A 86 19.032 40.853 21.042 1.00 38.64 H new ATOM 0 HB THR A 86 17.076 42.838 20.736 1.00 34.66 H new ATOM 0 HG1 THR A 86 17.505 43.363 22.865 1.00 40.82 H new ATOM 0 HG21 THR A 86 15.691 41.581 22.259 1.00 39.65 H new ATOM 0 HG22 THR A 86 16.009 40.710 20.975 1.00 39.65 H new ATOM 0 HG23 THR A 86 16.789 40.441 22.327 1.00 39.65 H new ATOM 667 N ASP A 87 18.118 39.825 18.915 1.00 25.14 N ATOM 668 CA ASP A 87 17.476 39.205 17.702 1.00 24.02 C ATOM 669 C ASP A 87 16.306 38.065 17.970 1.00 35.59 C ATOM 670 O ASP A 87 15.868 37.861 19.144 1.00 30.42 O ATOM 671 CB ASP A 87 18.509 38.729 16.747 1.00 15.42 C ATOM 672 CG ASP A 87 19.038 37.491 17.305 1.00 43.80 C ATOM 673 OD1 ASP A 87 18.903 37.201 18.527 1.00 45.40 O ATOM 674 OD2 ASP A 87 19.948 37.038 16.660 1.00 42.92 O ATOM 0 H ASP A 87 18.546 39.257 19.399 1.00 25.14 H new ATOM 0 HA ASP A 87 16.971 39.933 17.307 1.00 24.02 H new ATOM 0 HB2 ASP A 87 18.126 38.577 15.869 1.00 15.42 H new ATOM 0 HB3 ASP A 87 19.212 39.389 16.639 1.00 15.42 H new ATOM 675 N ALA A 88 15.841 37.360 16.912 1.00 28.01 N ATOM 676 CA ALA A 88 14.693 36.254 16.981 1.00 44.26 C ATOM 677 C ALA A 88 14.961 35.119 17.910 1.00 39.27 C ATOM 678 O ALA A 88 14.066 34.609 18.718 1.00 39.31 O ATOM 679 CB ALA A 88 14.333 35.664 15.583 1.00 45.37 C ATOM 0 H ALA A 88 16.148 37.472 16.117 1.00 28.01 H new ATOM 0 HA ALA A 88 13.942 36.755 17.337 1.00 44.26 H new ATOM 0 HB1 ALA A 88 13.633 35.000 15.682 1.00 45.37 H new ATOM 0 HB2 ALA A 88 14.022 36.376 15.001 1.00 45.37 H new ATOM 0 HB3 ALA A 88 15.119 35.249 15.194 1.00 45.37 H new ATOM 680 N THR A 89 16.202 34.847 17.857 1.00 20.42 N ATOM 681 CA THR A 89 16.691 33.840 18.709 1.00 29.94 C ATOM 682 C THR A 89 16.609 34.172 20.191 1.00 34.77 C ATOM 683 O THR A 89 16.147 33.259 21.005 1.00 33.77 O ATOM 684 CB THR A 89 18.165 33.755 18.328 1.00 40.36 C ATOM 685 OG1 THR A 89 18.216 33.454 16.929 1.00 48.91 O ATOM 686 CG2 THR A 89 18.773 32.688 19.146 1.00 41.74 C ATOM 0 H THR A 89 16.780 35.224 17.344 1.00 20.42 H new ATOM 0 HA THR A 89 16.169 33.030 18.599 1.00 29.94 H new ATOM 0 HB THR A 89 18.652 34.578 18.490 1.00 40.36 H new ATOM 0 HG1 THR A 89 19.017 33.401 16.683 1.00 48.91 H new ATOM 0 HG21 THR A 89 19.714 32.608 18.926 1.00 41.74 H new ATOM 0 HG22 THR A 89 18.678 32.907 20.086 1.00 41.74 H new ATOM 0 HG23 THR A 89 18.327 31.846 18.964 1.00 41.74 H new ATOM 687 N LEU A 90 17.030 35.437 20.527 1.00 16.86 N ATOM 688 CA LEU A 90 17.061 35.808 21.942 1.00 13.98 C ATOM 689 C LEU A 90 15.655 35.911 22.464 1.00 28.54 C ATOM 690 O LEU A 90 15.345 35.572 23.648 1.00 22.70 O ATOM 691 CB LEU A 90 18.016 37.133 22.240 1.00 16.87 C ATOM 692 CG LEU A 90 19.503 37.058 21.884 1.00 34.73 C ATOM 693 CD1 LEU A 90 20.443 38.377 22.256 1.00 32.51 C ATOM 694 CD2 LEU A 90 20.002 35.808 22.492 1.00 31.31 C ATOM 0 H LEU A 90 17.282 36.044 19.973 1.00 16.86 H new ATOM 0 HA LEU A 90 17.498 35.105 22.447 1.00 13.98 H new ATOM 0 HB2 LEU A 90 17.635 37.885 21.759 1.00 16.87 H new ATOM 0 HB3 LEU A 90 17.949 37.338 23.186 1.00 16.87 H new ATOM 0 HG LEU A 90 19.579 37.062 20.917 1.00 34.73 H new ATOM 0 HD11 LEU A 90 21.359 38.209 21.984 1.00 32.51 H new ATOM 0 HD12 LEU A 90 20.105 39.157 21.789 1.00 32.51 H new ATOM 0 HD13 LEU A 90 20.415 38.535 23.213 1.00 32.51 H new ATOM 0 HD21 LEU A 90 20.947 35.708 22.297 1.00 31.31 H new ATOM 0 HD22 LEU A 90 19.872 35.841 23.453 1.00 31.31 H new ATOM 0 HD23 LEU A 90 19.515 35.053 22.126 1.00 31.31 H new ATOM 695 N LYS A 91 14.820 36.286 21.572 1.00 24.78 N ATOM 696 CA LYS A 91 13.402 36.297 21.939 1.00 38.05 C ATOM 697 C LYS A 91 12.683 34.859 22.175 1.00 34.51 C ATOM 698 O LYS A 91 11.872 34.589 23.132 1.00 36.16 O ATOM 699 CB LYS A 91 12.625 36.949 20.851 1.00 32.62 C ATOM 700 CG LYS A 91 13.207 38.441 20.589 1.00 25.81 C ATOM 701 CD LYS A 91 12.177 39.173 19.855 0.00 0.00 C ATOM 702 CE LYS A 91 12.738 40.669 19.577 0.00 0.00 C ATOM 703 NZ LYS A 91 13.889 40.765 18.651 0.00 0.00 N ATOM 0 H LYS A 91 15.010 36.535 20.771 1.00 24.78 H new ATOM 0 HA LYS A 91 13.399 36.760 22.792 1.00 38.05 H new ATOM 0 HB2 LYS A 91 12.682 36.422 20.039 1.00 32.62 H new ATOM 0 HB3 LYS A 91 11.687 36.995 21.093 1.00 32.62 H new ATOM 0 HG2 LYS A 91 13.411 38.883 21.428 1.00 25.81 H new ATOM 0 HG3 LYS A 91 14.032 38.404 20.080 1.00 25.81 H new ATOM 0 HD2 LYS A 91 11.972 38.726 19.019 0.00 0.00 H new ATOM 0 HD3 LYS A 91 11.354 39.208 20.367 0.00 0.00 H new ATOM 0 HE2 LYS A 91 12.013 41.207 19.222 0.00 0.00 H new ATOM 0 HE3 LYS A 91 12.994 41.063 20.426 0.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.126 41.618 18.560 0.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.574 40.300 18.979 0.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.660 40.435 17.857 0.00 0.00 H new ATOM 704 N ASN A 92 13.069 33.952 21.377 1.00 23.11 N ATOM 705 CA ASN A 92 12.514 32.526 21.532 1.00 15.47 C ATOM 706 C ASN A 92 13.051 31.935 22.787 1.00 15.96 C ATOM 707 O ASN A 92 12.226 31.229 23.549 1.00 28.19 O ATOM 708 CB ASN A 92 12.813 31.698 20.309 1.00 33.65 C ATOM 709 CG ASN A 92 12.119 30.250 20.544 1.00 57.45 C ATOM 710 OD1 ASN A 92 10.849 30.033 20.643 1.00 54.63 O ATOM 711 ND2 ASN A 92 12.908 29.476 21.116 1.00 52.86 N ATOM 0 H ASN A 92 13.631 34.063 20.736 1.00 23.11 H new ATOM 0 HA ASN A 92 11.547 32.547 21.604 1.00 15.47 H new ATOM 0 HB2 ASN A 92 12.461 32.123 19.511 1.00 33.65 H new ATOM 0 HB3 ASN A 92 13.770 31.605 20.182 1.00 33.65 H new ATOM 0 HD21 ASN A 92 12.605 28.810 21.568 1.00 52.86 H new ATOM 0 HD22 ASN A 92 13.756 29.607 21.059 1.00 52.86 H new ATOM 712 N LEU A 93 14.339 32.393 23.070 1.00 16.82 N ATOM 713 CA LEU A 93 14.969 32.049 24.330 1.00 15.25 C ATOM 714 C LEU A 93 14.212 32.442 25.550 1.00 17.08 C ATOM 715 O LEU A 93 13.931 31.601 26.478 1.00 22.13 O ATOM 716 CB LEU A 93 16.459 32.707 24.483 1.00 17.26 C ATOM 717 CG LEU A 93 17.458 31.839 23.904 1.00 31.64 C ATOM 718 CD1 LEU A 93 18.917 32.416 24.321 1.00 34.23 C ATOM 719 CD2 LEU A 93 17.086 30.349 24.331 1.00 37.19 C ATOM 0 H LEU A 93 14.813 32.881 22.544 1.00 16.82 H new ATOM 0 HA LEU A 93 15.004 31.081 24.283 1.00 15.25 H new ATOM 0 HB2 LEU A 93 16.483 33.573 24.046 1.00 17.26 H new ATOM 0 HB3 LEU A 93 16.657 32.857 25.421 1.00 17.26 H new ATOM 0 HG LEU A 93 17.485 31.816 22.935 1.00 31.64 H new ATOM 0 HD11 LEU A 93 19.609 31.850 23.944 1.00 34.23 H new ATOM 0 HD12 LEU A 93 19.017 33.319 23.981 1.00 34.23 H new ATOM 0 HD13 LEU A 93 18.998 32.424 25.288 1.00 34.23 H new ATOM 0 HD21 LEU A 93 17.737 29.734 23.959 1.00 37.19 H new ATOM 0 HD22 LEU A 93 17.091 30.279 25.298 1.00 37.19 H new ATOM 0 HD23 LEU A 93 16.203 30.127 23.995 1.00 37.19 H new ATOM 720 N GLY A 94 13.827 33.641 25.491 1.00 25.17 N ATOM 721 CA GLY A 94 13.067 34.161 26.579 1.00 17.51 C ATOM 722 C GLY A 94 11.730 33.247 26.861 1.00 19.39 C ATOM 723 O GLY A 94 11.361 32.953 28.042 1.00 23.04 O ATOM 0 H GLY A 94 13.982 34.186 24.844 1.00 25.17 H new ATOM 0 HA2 GLY A 94 13.617 34.188 27.377 1.00 17.51 H new ATOM 0 HA3 GLY A 94 12.803 35.074 26.385 1.00 17.51 H new ATOM 724 N SER A 95 11.082 32.755 25.786 1.00 26.82 N ATOM 725 CA SER A 95 9.796 31.836 25.862 1.00 28.35 C ATOM 726 C SER A 95 9.956 30.483 26.493 1.00 22.52 C ATOM 727 O SER A 95 9.163 30.005 27.410 1.00 29.33 O ATOM 728 CB SER A 95 9.187 31.591 24.454 1.00 24.03 C ATOM 729 OG SER A 95 8.011 30.577 24.525 1.00 50.49 O ATOM 0 H SER A 95 11.335 32.915 24.980 1.00 26.82 H new ATOM 0 HA SER A 95 9.221 32.357 26.444 1.00 28.35 H new ATOM 0 HB2 SER A 95 8.873 32.430 24.083 1.00 24.03 H new ATOM 0 HB3 SER A 95 9.872 31.255 23.855 1.00 24.03 H new ATOM 0 HG SER A 95 7.695 30.459 23.756 1.00 50.49 H new ATOM 730 N VAL A 96 10.960 29.906 26.016 1.00 19.55 N ATOM 731 CA VAL A 96 11.215 28.591 26.528 1.00 10.87 C ATOM 732 C VAL A 96 11.573 28.601 28.010 1.00 28.26 C ATOM 733 O VAL A 96 11.031 27.642 28.739 1.00 27.79 O ATOM 734 CB VAL A 96 12.160 27.871 25.639 1.00 16.71 C ATOM 735 CG1 VAL A 96 13.335 28.814 24.989 1.00 46.61 C ATOM 736 CG2 VAL A 96 12.682 26.677 26.339 1.00 33.00 C ATOM 0 H VAL A 96 11.503 30.212 25.423 1.00 19.55 H new ATOM 0 HA VAL A 96 10.395 28.073 26.509 1.00 10.87 H new ATOM 0 HB VAL A 96 11.662 27.580 24.859 1.00 16.71 H new ATOM 0 HG11 VAL A 96 13.909 28.273 24.424 1.00 46.61 H new ATOM 0 HG12 VAL A 96 12.929 29.517 24.458 1.00 46.61 H new ATOM 0 HG13 VAL A 96 13.863 29.210 25.700 1.00 46.61 H new ATOM 0 HG21 VAL A 96 13.300 26.206 25.759 1.00 33.00 H new ATOM 0 HG22 VAL A 96 13.143 26.951 27.147 1.00 33.00 H new ATOM 0 HG23 VAL A 96 11.946 26.090 26.571 1.00 33.00 H new ATOM 737 N HIS A 97 12.254 29.735 28.490 1.00 12.08 N ATOM 738 CA HIS A 97 12.584 29.830 29.925 1.00 9.02 C ATOM 739 C HIS A 97 11.380 29.956 30.812 1.00 13.07 C ATOM 740 O HIS A 97 11.245 29.326 31.905 1.00 23.05 O ATOM 741 CB HIS A 97 13.733 30.991 30.237 1.00 15.17 C ATOM 742 CG HIS A 97 15.073 30.648 29.690 1.00 18.61 C ATOM 743 ND1 HIS A 97 15.605 31.149 28.465 1.00 24.20 N ATOM 744 CD2 HIS A 97 15.885 29.851 30.214 1.00 13.33 C ATOM 745 CE1 HIS A 97 16.804 30.633 28.235 1.00 18.40 C ATOM 746 NE2 HIS A 97 16.974 29.819 29.339 1.00 8.02 N ATOM 0 H HIS A 97 12.505 30.402 28.008 1.00 12.08 H new ATOM 0 HA HIS A 97 12.982 28.976 30.156 1.00 9.02 H new ATOM 0 HB2 HIS A 97 13.442 31.836 29.859 1.00 15.17 H new ATOM 0 HB3 HIS A 97 13.804 31.118 31.196 1.00 15.17 H new ATOM 0 HD1 HIS A 97 15.204 31.707 27.948 1.00 24.20 H new ATOM 0 HD2 HIS A 97 15.785 29.383 31.011 1.00 13.33 H new ATOM 0 HE1 HIS A 97 17.379 30.780 27.519 1.00 18.40 H new ATOM 747 N VAL A 98 10.504 30.672 30.310 1.00 17.39 N ATOM 748 CA VAL A 98 9.259 30.747 31.049 1.00 9.27 C ATOM 749 C VAL A 98 8.388 29.354 31.133 1.00 19.42 C ATOM 750 O VAL A 98 7.947 28.905 32.249 1.00 25.08 O ATOM 751 CB VAL A 98 8.470 31.817 30.452 1.00 15.01 C ATOM 752 CG1 VAL A 98 7.112 31.836 31.168 1.00 26.40 C ATOM 753 CG2 VAL A 98 9.316 33.236 30.515 1.00 4.89 C ATOM 0 H VAL A 98 10.557 31.122 29.579 1.00 17.39 H new ATOM 0 HA VAL A 98 9.485 30.922 31.976 1.00 9.27 H new ATOM 0 HB VAL A 98 8.296 31.676 29.508 1.00 15.01 H new ATOM 0 HG11 VAL A 98 6.559 32.540 30.794 1.00 26.40 H new ATOM 0 HG12 VAL A 98 6.671 30.980 31.048 1.00 26.40 H new ATOM 0 HG13 VAL A 98 7.247 32.000 32.114 1.00 26.40 H new ATOM 0 HG21 VAL A 98 8.788 33.946 30.117 1.00 4.89 H new ATOM 0 HG22 VAL A 98 9.509 33.457 31.440 1.00 4.89 H new ATOM 0 HG23 VAL A 98 10.148 33.139 30.026 1.00 4.89 H new ATOM 754 N SER A 99 8.346 28.623 30.033 1.00 18.85 N ATOM 755 CA SER A 99 7.620 27.227 29.965 1.00 26.52 C ATOM 756 C SER A 99 8.160 26.285 30.953 1.00 31.44 C ATOM 757 O SER A 99 7.375 25.304 31.440 1.00 35.00 O ATOM 758 CB SER A 99 7.711 26.628 28.557 1.00 15.07 C ATOM 759 OG SER A 99 7.201 27.477 27.588 1.00 52.90 O ATOM 0 H SER A 99 8.710 28.863 29.292 1.00 18.85 H new ATOM 0 HA SER A 99 6.686 27.381 30.178 1.00 26.52 H new ATOM 0 HB2 SER A 99 8.638 26.428 28.353 1.00 15.07 H new ATOM 0 HB3 SER A 99 7.227 25.787 28.534 1.00 15.07 H new ATOM 0 HG SER A 99 7.695 28.153 27.519 1.00 52.90 H new ATOM 760 N LYS A 100 9.468 26.545 31.178 1.00 23.26 N ATOM 761 CA LYS A 100 10.162 25.649 32.001 1.00 14.97 C ATOM 762 C LYS A 100 10.194 25.991 33.486 1.00 16.04 C ATOM 763 O LYS A 100 10.729 25.271 34.295 1.00 31.32 O ATOM 764 CB LYS A 100 11.619 25.651 31.496 1.00 21.44 C ATOM 765 CG LYS A 100 11.652 24.888 30.163 1.00 30.85 C ATOM 766 CD LYS A 100 11.103 23.369 30.314 1.00 45.00 C ATOM 767 CE LYS A 100 11.211 22.592 29.000 1.00 40.69 C ATOM 768 NZ LYS A 100 10.784 21.135 29.207 0.00 0.00 N ATOM 0 H LYS A 100 9.917 27.208 30.865 1.00 23.26 H new ATOM 0 HA LYS A 100 9.700 24.798 31.943 1.00 14.97 H new ATOM 0 HB2 LYS A 100 11.936 26.560 31.376 1.00 21.44 H new ATOM 0 HB3 LYS A 100 12.205 25.229 32.144 1.00 21.44 H new ATOM 0 HG2 LYS A 100 11.115 25.361 29.508 1.00 30.85 H new ATOM 0 HG3 LYS A 100 12.561 24.870 29.825 1.00 30.85 H new ATOM 0 HD2 LYS A 100 11.608 22.910 31.004 1.00 45.00 H new ATOM 0 HD3 LYS A 100 10.178 23.387 30.604 1.00 45.00 H new ATOM 0 HE2 LYS A 100 10.651 23.007 28.325 1.00 40.69 H new ATOM 0 HE3 LYS A 100 12.123 22.625 28.672 1.00 40.69 H new ATOM 0 HZ1 LYS A 100 10.851 20.694 28.437 0.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.312 20.754 29.814 0.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.941 21.110 29.491 0.00 0.00 H new ATOM 769 N GLY A 101 9.604 27.020 33.840 1.00 19.91 N ATOM 770 CA GLY A 101 9.548 27.417 35.250 1.00 15.12 C ATOM 771 C GLY A 101 10.871 28.209 35.775 1.00 24.70 C ATOM 772 O GLY A 101 11.089 28.295 37.013 1.00 21.25 O ATOM 0 H GLY A 101 9.200 27.555 33.301 1.00 19.91 H new ATOM 0 HA2 GLY A 101 8.771 27.981 35.386 1.00 15.12 H new ATOM 0 HA3 GLY A 101 9.421 26.624 35.794 1.00 15.12 H new ATOM 773 N VAL A 102 11.678 28.854 34.866 1.00 20.44 N ATOM 774 CA VAL A 102 12.936 29.744 35.227 1.00 11.09 C ATOM 775 C VAL A 102 12.672 31.157 35.607 1.00 19.12 C ATOM 776 O VAL A 102 11.933 31.744 34.870 1.00 24.51 O ATOM 777 CB VAL A 102 13.935 29.830 34.045 1.00 16.79 C ATOM 778 CG1 VAL A 102 15.275 30.780 34.318 1.00 13.70 C ATOM 779 CG2 VAL A 102 14.180 28.412 33.611 1.00 11.64 C ATOM 0 H VAL A 102 11.538 28.807 34.019 1.00 20.44 H new ATOM 0 HA VAL A 102 13.282 29.276 36.003 1.00 11.09 H new ATOM 0 HB VAL A 102 13.559 30.329 33.303 1.00 16.79 H new ATOM 0 HG11 VAL A 102 15.841 30.776 33.530 1.00 13.70 H new ATOM 0 HG12 VAL A 102 14.994 31.689 34.509 1.00 13.70 H new ATOM 0 HG13 VAL A 102 15.772 30.430 35.074 1.00 13.70 H new ATOM 0 HG21 VAL A 102 14.803 28.404 32.868 1.00 11.64 H new ATOM 0 HG22 VAL A 102 14.553 27.907 34.350 1.00 11.64 H new ATOM 0 HG23 VAL A 102 13.342 28.009 33.335 1.00 11.64 H new ATOM 780 N ALA A 103 13.218 31.684 36.721 1.00 17.19 N ATOM 781 CA ALA A 103 13.118 33.059 37.168 1.00 3.00 C ATOM 782 C ALA A 103 14.496 33.955 37.168 1.00 12.11 C ATOM 783 O ALA A 103 15.547 33.436 36.992 1.00 11.35 O ATOM 784 CB ALA A 103 12.528 33.024 38.589 1.00 7.45 C ATOM 0 H ALA A 103 13.684 31.203 37.261 1.00 17.19 H new ATOM 0 HA ALA A 103 12.562 33.512 36.515 1.00 3.00 H new ATOM 0 HB1 ALA A 103 12.444 33.929 38.927 1.00 7.45 H new ATOM 0 HB2 ALA A 103 11.653 32.605 38.566 1.00 7.45 H new ATOM 0 HB3 ALA A 103 13.114 32.515 39.171 1.00 7.45 H new ATOM 785 N ASP A 104 14.479 35.256 37.323 1.00 13.09 N ATOM 786 CA ASP A 104 15.710 36.264 37.365 1.00 9.85 C ATOM 787 C ASP A 104 16.734 35.945 38.399 1.00 17.47 C ATOM 788 O ASP A 104 17.976 36.327 38.206 1.00 20.16 O ATOM 789 CB ASP A 104 15.344 37.659 37.715 1.00 15.48 C ATOM 790 CG ASP A 104 14.493 38.133 36.598 1.00 33.58 C ATOM 791 OD1 ASP A 104 14.269 39.334 36.598 1.00 45.38 O ATOM 792 OD2 ASP A 104 14.314 37.461 35.535 1.00 44.39 O ATOM 0 H ASP A 104 13.733 35.673 37.419 1.00 13.09 H new ATOM 0 HA ASP A 104 16.044 36.171 36.459 1.00 9.85 H new ATOM 0 HB2 ASP A 104 14.866 37.694 38.558 1.00 15.48 H new ATOM 0 HB3 ASP A 104 16.134 38.214 37.813 1.00 15.48 H new ATOM 793 N ALA A 105 16.238 35.349 39.503 1.00 11.49 N ATOM 794 CA ALA A 105 17.152 35.094 40.594 1.00 13.10 C ATOM 795 C ALA A 105 17.885 33.893 40.327 1.00 11.29 C ATOM 796 O ALA A 105 18.884 33.733 41.037 1.00 17.85 O ATOM 797 CB ALA A 105 16.428 34.929 41.957 1.00 4.58 C ATOM 0 H ALA A 105 15.423 35.103 39.623 1.00 11.49 H new ATOM 0 HA ALA A 105 17.739 35.863 40.657 1.00 13.10 H new ATOM 0 HB1 ALA A 105 17.082 34.760 42.653 1.00 4.58 H new ATOM 0 HB2 ALA A 105 15.938 35.740 42.164 1.00 4.58 H new ATOM 0 HB3 ALA A 105 15.810 34.183 41.907 1.00 4.58 H new ATOM 798 N HIS A 106 17.502 33.178 39.243 1.00 15.55 N ATOM 799 CA HIS A 106 18.221 32.084 38.792 1.00 15.21 C ATOM 800 C HIS A 106 19.564 32.623 38.128 1.00 20.42 C ATOM 801 O HIS A 106 20.500 31.919 38.142 1.00 21.99 O ATOM 802 CB HIS A 106 17.376 31.145 37.784 1.00 5.00 C ATOM 803 CG HIS A 106 16.339 30.058 38.462 1.00 12.37 C ATOM 804 ND1 HIS A 106 14.947 29.983 38.237 1.00 17.57 N ATOM 805 CD2 HIS A 106 16.543 29.043 39.281 1.00 21.99 C ATOM 806 CE1 HIS A 106 14.272 28.870 38.960 1.00 16.61 C ATOM 807 NE2 HIS A 106 15.283 28.284 39.618 1.00 17.66 N ATOM 0 H HIS A 106 16.802 33.356 38.777 1.00 15.55 H new ATOM 0 HA HIS A 106 18.430 31.508 39.544 1.00 15.21 H new ATOM 0 HB2 HIS A 106 16.865 31.721 37.194 1.00 5.00 H new ATOM 0 HB3 HIS A 106 18.004 30.656 37.230 1.00 5.00 H new ATOM 0 HD2 HIS A 106 17.380 28.818 39.617 1.00 21.99 H new ATOM 0 HE1 HIS A 106 13.371 28.638 38.956 1.00 16.61 H new ATOM 0 HE2 HIS A 106 15.224 27.601 40.137 1.00 17.66 H new ATOM 808 N PHE A 107 19.579 33.750 37.442 1.00 15.92 N ATOM 809 CA PHE A 107 20.746 34.370 36.629 1.00 22.89 C ATOM 810 C PHE A 107 22.154 34.523 37.269 1.00 9.80 C ATOM 811 O PHE A 107 23.104 34.162 36.607 1.00 11.13 O ATOM 812 CB PHE A 107 20.498 35.634 35.829 1.00 22.22 C ATOM 813 CG PHE A 107 19.526 35.267 34.637 1.00 15.38 C ATOM 814 CD1 PHE A 107 18.145 35.036 34.833 1.00 16.84 C ATOM 815 CD2 PHE A 107 20.042 35.148 33.371 1.00 13.74 C ATOM 816 CE1 PHE A 107 17.270 34.672 33.764 1.00 18.43 C ATOM 817 CE2 PHE A 107 19.177 34.785 32.296 1.00 14.15 C ATOM 818 CZ PHE A 107 17.786 34.542 32.492 1.00 4.71 C ATOM 0 H PHE A 107 18.878 34.247 37.406 1.00 15.92 H new ATOM 0 HA PHE A 107 20.760 33.600 36.039 1.00 22.89 H new ATOM 0 HB2 PHE A 107 20.104 36.320 36.390 1.00 22.22 H new ATOM 0 HB3 PHE A 107 21.333 35.991 35.489 1.00 22.22 H new ATOM 0 HD1 PHE A 107 17.793 35.124 35.689 1.00 16.84 H new ATOM 0 HD2 PHE A 107 20.946 35.302 33.215 1.00 13.74 H new ATOM 0 HE1 PHE A 107 16.366 34.525 33.924 1.00 18.43 H new ATOM 0 HE2 PHE A 107 19.532 34.704 31.440 1.00 14.15 H new ATOM 0 HZ PHE A 107 17.240 34.302 31.779 1.00 4.71 H new ATOM 819 N PRO A 108 22.326 34.936 38.523 1.00 13.39 N ATOM 820 CA PRO A 108 23.647 34.989 39.188 1.00 8.82 C ATOM 821 C PRO A 108 24.105 33.612 39.374 1.00 21.11 C ATOM 822 O PRO A 108 25.350 33.553 39.436 1.00 11.00 O ATOM 823 CB PRO A 108 23.571 35.705 40.543 1.00 16.95 C ATOM 824 CG PRO A 108 22.214 36.233 40.577 1.00 5.47 C ATOM 825 CD PRO A 108 21.408 35.617 39.360 1.00 5.04 C ATOM 0 HA PRO A 108 24.266 35.491 38.636 1.00 8.82 H new ATOM 0 HB2 PRO A 108 23.735 35.094 41.279 1.00 16.95 H new ATOM 0 HB3 PRO A 108 24.231 36.413 40.610 1.00 16.95 H new ATOM 0 HG2 PRO A 108 21.784 36.006 41.416 1.00 5.47 H new ATOM 0 HG3 PRO A 108 22.227 37.201 40.518 1.00 5.47 H new ATOM 0 HD2 PRO A 108 20.725 35.007 39.680 1.00 5.04 H new ATOM 0 HD3 PRO A 108 20.954 36.317 38.866 1.00 5.04 H new ATOM 826 N VAL A 109 23.145 32.534 39.367 1.00 8.28 N ATOM 827 CA VAL A 109 23.479 31.154 39.479 1.00 3.51 C ATOM 828 C VAL A 109 24.234 30.745 38.262 1.00 9.35 C ATOM 829 O VAL A 109 25.352 30.333 38.413 1.00 15.77 O ATOM 830 CB VAL A 109 22.208 30.096 39.698 1.00 17.33 C ATOM 831 CG1 VAL A 109 22.532 28.640 39.648 1.00 14.43 C ATOM 832 CG2 VAL A 109 21.476 30.367 41.000 1.00 7.51 C ATOM 0 H VAL A 109 22.299 32.670 39.293 1.00 8.28 H new ATOM 0 HA VAL A 109 24.001 31.090 40.294 1.00 3.51 H new ATOM 0 HB VAL A 109 21.653 30.278 38.924 1.00 17.33 H new ATOM 0 HG11 VAL A 109 21.723 28.123 39.787 1.00 14.43 H new ATOM 0 HG12 VAL A 109 22.910 28.422 38.782 1.00 14.43 H new ATOM 0 HG13 VAL A 109 23.174 28.427 40.343 1.00 14.43 H new ATOM 0 HG21 VAL A 109 20.745 29.737 41.098 1.00 7.51 H new ATOM 0 HG22 VAL A 109 22.090 30.266 41.744 1.00 7.51 H new ATOM 0 HG23 VAL A 109 21.124 31.271 40.992 1.00 7.51 H new ATOM 833 N VAL A 110 23.673 30.923 37.097 1.00 8.97 N ATOM 834 CA VAL A 110 24.328 30.593 35.850 1.00 14.80 C ATOM 835 C VAL A 110 25.636 31.565 35.585 1.00 12.13 C ATOM 836 O VAL A 110 26.656 31.137 35.119 1.00 10.11 O ATOM 837 CB VAL A 110 23.335 30.491 34.653 1.00 16.03 C ATOM 838 CG1 VAL A 110 24.038 30.416 33.288 1.00 12.84 C ATOM 839 CG2 VAL A 110 22.183 29.285 34.811 1.00 4.71 C ATOM 0 H VAL A 110 22.882 31.246 36.999 1.00 8.97 H new ATOM 0 HA VAL A 110 24.684 29.694 35.930 1.00 14.80 H new ATOM 0 HB VAL A 110 22.850 31.330 34.684 1.00 16.03 H new ATOM 0 HG11 VAL A 110 23.373 30.354 32.584 1.00 12.84 H new ATOM 0 HG12 VAL A 110 24.575 31.213 33.156 1.00 12.84 H new ATOM 0 HG13 VAL A 110 24.610 29.633 33.261 1.00 12.84 H new ATOM 0 HG21 VAL A 110 21.606 29.285 34.031 1.00 4.71 H new ATOM 0 HG22 VAL A 110 22.624 28.424 34.887 1.00 4.71 H new ATOM 0 HG23 VAL A 110 21.652 29.447 35.606 1.00 4.71 H new ATOM 840 N LYS A 111 25.688 32.780 36.092 1.00 11.85 N ATOM 841 CA LYS A 111 26.922 33.779 35.985 1.00 5.51 C ATOM 842 C LYS A 111 28.141 33.358 36.691 1.00 7.57 C ATOM 843 O LYS A 111 29.210 33.284 36.046 1.00 8.65 O ATOM 844 CB LYS A 111 26.650 35.141 36.547 1.00 4.78 C ATOM 845 CG LYS A 111 27.863 36.282 36.419 1.00 24.40 C ATOM 846 CD LYS A 111 27.418 37.607 36.884 1.00 17.21 C ATOM 847 CE LYS A 111 28.550 38.825 36.858 1.00 23.05 C ATOM 848 NZ LYS A 111 27.951 40.024 37.223 1.00 30.86 N ATOM 0 H LYS A 111 25.029 33.118 36.529 1.00 11.85 H new ATOM 0 HA LYS A 111 27.055 33.784 35.024 1.00 5.51 H new ATOM 0 HB2 LYS A 111 25.860 35.494 36.109 1.00 4.78 H new ATOM 0 HB3 LYS A 111 26.432 35.039 37.487 1.00 4.78 H new ATOM 0 HG2 LYS A 111 28.631 35.998 36.939 1.00 24.40 H new ATOM 0 HG3 LYS A 111 28.153 36.344 35.495 1.00 24.40 H new ATOM 0 HD2 LYS A 111 26.664 37.882 36.339 1.00 17.21 H new ATOM 0 HD3 LYS A 111 27.092 37.515 37.793 1.00 17.21 H new ATOM 0 HE2 LYS A 111 29.276 38.617 37.466 1.00 23.05 H new ATOM 0 HE3 LYS A 111 28.936 38.902 35.971 1.00 23.05 H new ATOM 0 HZ1 LYS A 111 28.576 40.650 37.322 1.00 30.86 H new ATOM 0 HZ2 LYS A 111 27.378 40.275 36.590 1.00 30.86 H new ATOM 0 HZ3 LYS A 111 27.515 39.917 37.992 1.00 30.86 H new ATOM 849 N GLU A 112 27.963 33.054 37.961 1.00 9.88 N ATOM 850 CA GLU A 112 29.063 32.626 38.730 1.00 13.80 C ATOM 851 C GLU A 112 29.489 31.337 38.186 1.00 7.90 C ATOM 852 O GLU A 112 30.724 31.235 38.126 1.00 12.49 O ATOM 853 CB GLU A 112 28.701 32.462 40.220 1.00 8.39 C ATOM 854 CG GLU A 112 28.447 33.812 40.842 1.00 21.02 C ATOM 855 CD GLU A 112 29.699 34.879 40.644 1.00 35.06 C ATOM 856 OE1 GLU A 112 30.823 34.685 41.105 1.00 20.79 O ATOM 857 OE2 GLU A 112 29.585 36.019 40.164 1.00 19.16 O ATOM 0 H GLU A 112 27.212 33.094 38.379 1.00 9.88 H new ATOM 0 HA GLU A 112 29.767 33.291 38.683 1.00 13.80 H new ATOM 0 HB2 GLU A 112 27.913 31.903 40.309 1.00 8.39 H new ATOM 0 HB3 GLU A 112 29.422 32.013 40.688 1.00 8.39 H new ATOM 0 HG2 GLU A 112 27.643 34.192 40.454 1.00 21.02 H new ATOM 0 HG3 GLU A 112 28.277 33.696 41.790 1.00 21.02 H new ATOM 858 N ALA A 113 28.503 30.448 37.706 1.00 11.79 N ATOM 859 CA ALA A 113 28.782 29.155 37.183 1.00 4.79 C ATOM 860 C ALA A 113 29.650 29.349 35.930 1.00 3.00 C ATOM 861 O ALA A 113 30.616 28.693 35.799 1.00 9.94 O ATOM 862 CB ALA A 113 27.457 28.182 36.910 1.00 7.13 C ATOM 0 H ALA A 113 27.665 30.642 37.703 1.00 11.79 H new ATOM 0 HA ALA A 113 29.257 28.653 37.864 1.00 4.79 H new ATOM 0 HB1 ALA A 113 27.750 27.328 36.556 1.00 7.13 H new ATOM 0 HB2 ALA A 113 26.982 28.040 37.744 1.00 7.13 H new ATOM 0 HB3 ALA A 113 26.866 28.611 36.271 1.00 7.13 H new ATOM 863 N ILE A 114 29.388 30.318 35.119 1.00 11.68 N ATOM 864 CA ILE A 114 30.188 30.657 33.898 1.00 7.19 C ATOM 865 C ILE A 114 31.620 31.345 34.222 1.00 11.99 C ATOM 866 O ILE A 114 32.616 30.990 33.626 1.00 11.73 O ATOM 867 CB ILE A 114 29.486 31.547 32.937 1.00 8.54 C ATOM 868 CG1 ILE A 114 28.188 30.748 32.332 1.00 3.90 C ATOM 869 CG2 ILE A 114 30.435 32.198 31.819 1.00 7.81 C ATOM 870 CD1 ILE A 114 27.500 31.613 31.354 1.00 7.47 C ATOM 0 H ILE A 114 28.717 30.844 35.235 1.00 11.68 H new ATOM 0 HA ILE A 114 30.323 29.785 33.495 1.00 7.19 H new ATOM 0 HB ILE A 114 29.173 32.329 33.419 1.00 8.54 H new ATOM 0 HG12 ILE A 114 28.471 29.923 31.908 1.00 3.90 H new ATOM 0 HG13 ILE A 114 27.581 30.505 33.049 1.00 3.90 H new ATOM 0 HG21 ILE A 114 29.906 32.762 31.234 1.00 7.81 H new ATOM 0 HG22 ILE A 114 31.122 32.732 32.248 1.00 7.81 H new ATOM 0 HG23 ILE A 114 30.852 31.494 31.298 1.00 7.81 H new ATOM 0 HD11 ILE A 114 26.731 31.145 30.993 1.00 7.47 H new ATOM 0 HD12 ILE A 114 27.206 32.427 31.792 1.00 7.47 H new ATOM 0 HD13 ILE A 114 28.110 31.836 30.634 1.00 7.47 H new ATOM 871 N LEU A 115 31.719 32.242 35.197 1.00 11.88 N ATOM 872 CA LEU A 115 33.044 32.982 35.588 1.00 11.89 C ATOM 873 C LEU A 115 33.941 32.046 36.201 1.00 5.56 C ATOM 874 O LEU A 115 35.150 32.122 35.830 1.00 16.57 O ATOM 875 CB LEU A 115 32.906 34.151 36.561 1.00 10.23 C ATOM 876 CG LEU A 115 32.284 35.311 35.902 1.00 16.19 C ATOM 877 CD1 LEU A 115 32.015 36.377 36.936 1.00 12.68 C ATOM 878 CD2 LEU A 115 33.150 35.983 34.734 1.00 6.62 C ATOM 0 H LEU A 115 31.047 32.474 35.681 1.00 11.88 H new ATOM 0 HA LEU A 115 33.363 33.352 34.750 1.00 11.89 H new ATOM 0 HB2 LEU A 115 32.370 33.881 37.323 1.00 10.23 H new ATOM 0 HB3 LEU A 115 33.780 34.398 36.902 1.00 10.23 H new ATOM 0 HG LEU A 115 31.478 34.964 35.488 1.00 16.19 H new ATOM 0 HD11 LEU A 115 31.605 37.146 36.510 1.00 12.68 H new ATOM 0 HD12 LEU A 115 31.417 36.027 37.614 1.00 12.68 H new ATOM 0 HD13 LEU A 115 32.850 36.645 37.350 1.00 12.68 H new ATOM 0 HD21 LEU A 115 32.663 36.734 34.361 1.00 6.62 H new ATOM 0 HD22 LEU A 115 33.995 36.293 35.095 1.00 6.62 H new ATOM 0 HD23 LEU A 115 33.317 35.329 34.038 1.00 6.62 H new ATOM 879 N LYS A 116 33.322 31.103 36.999 1.00 8.70 N ATOM 880 CA LYS A 116 34.057 30.091 37.592 1.00 5.54 C ATOM 881 C LYS A 116 34.488 29.125 36.552 1.00 6.41 C ATOM 882 O LYS A 116 35.670 28.844 36.592 1.00 14.73 O ATOM 883 CB LYS A 116 33.226 29.294 38.710 1.00 7.23 C ATOM 884 CG LYS A 116 33.125 30.178 39.958 1.00 45.14 C ATOM 885 CD LYS A 116 32.169 29.452 41.032 1.00 48.36 C ATOM 886 CE LYS A 116 32.144 30.321 42.303 1.00 50.44 C ATOM 887 NZ LYS A 116 31.818 31.666 41.967 1.00 60.14 N ATOM 0 H LYS A 116 32.479 31.087 37.169 1.00 8.70 H new ATOM 0 HA LYS A 116 34.817 30.509 38.026 1.00 5.54 H new ATOM 0 HB2 LYS A 116 32.341 29.074 38.380 1.00 7.23 H new ATOM 0 HB3 LYS A 116 33.666 28.456 38.924 1.00 7.23 H new ATOM 0 HG2 LYS A 116 34.005 30.325 40.337 1.00 45.14 H new ATOM 0 HG3 LYS A 116 32.767 31.049 39.725 1.00 45.14 H new ATOM 0 HD2 LYS A 116 31.274 29.347 40.674 1.00 48.36 H new ATOM 0 HD3 LYS A 116 32.499 28.563 41.235 1.00 48.36 H new ATOM 0 HE2 LYS A 116 31.494 29.970 42.931 1.00 50.44 H new ATOM 0 HE3 LYS A 116 33.008 30.290 42.742 1.00 50.44 H new ATOM 0 HZ1 LYS A 116 31.224 31.982 42.549 1.00 60.14 H new ATOM 0 HZ2 LYS A 116 32.554 32.166 41.994 1.00 60.14 H new ATOM 0 HZ3 LYS A 116 31.472 31.692 41.147 1.00 60.14 H new ATOM 888 N THR A 117 33.589 28.711 35.613 1.00 10.75 N ATOM 889 CA THR A 117 33.880 27.808 34.530 1.00 3.67 C ATOM 890 C THR A 117 35.081 28.444 33.689 1.00 12.37 C ATOM 891 O THR A 117 36.055 27.811 33.501 1.00 21.62 O ATOM 892 CB THR A 117 32.641 27.374 33.619 1.00 12.80 C ATOM 893 OG1 THR A 117 31.574 26.597 34.369 1.00 10.32 O ATOM 894 CG2 THR A 117 32.976 26.530 32.404 1.00 8.11 C ATOM 0 H THR A 117 32.771 28.975 35.615 1.00 10.75 H new ATOM 0 HA THR A 117 34.135 26.957 34.919 1.00 3.67 H new ATOM 0 HB THR A 117 32.321 28.243 33.332 1.00 12.80 H new ATOM 0 HG1 THR A 117 31.151 27.118 34.874 1.00 10.32 H new ATOM 0 HG21 THR A 117 32.161 26.321 31.921 1.00 8.11 H new ATOM 0 HG22 THR A 117 33.578 27.022 31.824 1.00 8.11 H new ATOM 0 HG23 THR A 117 33.403 25.707 32.689 1.00 8.11 H new ATOM 895 N ILE A 118 35.048 29.687 33.281 1.00 15.01 N ATOM 896 CA ILE A 118 36.167 30.413 32.496 1.00 9.37 C ATOM 897 C ILE A 118 37.482 30.639 33.293 1.00 13.28 C ATOM 898 O ILE A 118 38.574 30.484 32.736 1.00 13.37 O ATOM 899 CB ILE A 118 35.812 31.762 31.966 1.00 14.31 C ATOM 900 CG1 ILE A 118 34.696 31.508 30.891 1.00 16.78 C ATOM 901 CG2 ILE A 118 37.064 32.704 31.433 1.00 11.85 C ATOM 902 CD1 ILE A 118 35.161 30.787 29.649 1.00 12.77 C ATOM 0 H ILE A 118 34.371 30.196 33.433 1.00 15.01 H new ATOM 0 HA ILE A 118 36.292 29.780 31.771 1.00 9.37 H new ATOM 0 HB ILE A 118 35.495 32.318 32.695 1.00 14.31 H new ATOM 0 HG12 ILE A 118 33.983 30.993 31.300 1.00 16.78 H new ATOM 0 HG13 ILE A 118 34.316 32.362 30.630 1.00 16.78 H new ATOM 0 HG21 ILE A 118 36.718 33.552 31.113 1.00 11.85 H new ATOM 0 HG22 ILE A 118 37.683 32.862 32.163 1.00 11.85 H new ATOM 0 HG23 ILE A 118 37.526 32.250 30.710 1.00 11.85 H new ATOM 0 HD11 ILE A 118 34.413 30.672 29.042 1.00 12.77 H new ATOM 0 HD12 ILE A 118 35.854 31.307 29.213 1.00 12.77 H new ATOM 0 HD13 ILE A 118 35.515 29.918 29.893 1.00 12.77 H new ATOM 903 N LYS A 119 37.347 30.754 34.597 1.00 12.84 N ATOM 904 CA LYS A 119 38.557 30.891 35.445 1.00 13.32 C ATOM 905 C LYS A 119 39.231 29.627 35.438 1.00 10.31 C ATOM 906 O LYS A 119 40.493 29.726 35.301 1.00 13.50 O ATOM 907 CB LYS A 119 38.267 31.289 36.892 1.00 23.06 C ATOM 908 CG LYS A 119 39.594 31.722 37.671 1.00 23.61 C ATOM 909 CD LYS A 119 39.356 32.136 39.123 1.00 31.56 C ATOM 910 CE LYS A 119 38.475 33.265 39.217 0.00 0.00 C ATOM 911 NZ LYS A 119 38.357 33.674 40.617 0.00 0.00 N ATOM 0 H LYS A 119 36.597 30.757 35.018 1.00 12.84 H new ATOM 0 HA LYS A 119 39.094 31.608 35.073 1.00 13.32 H new ATOM 0 HB2 LYS A 119 37.632 32.022 36.904 1.00 23.06 H new ATOM 0 HB3 LYS A 119 37.850 30.545 37.354 1.00 23.06 H new ATOM 0 HG2 LYS A 119 40.223 30.984 37.654 1.00 23.61 H new ATOM 0 HG3 LYS A 119 40.009 32.460 37.198 1.00 23.61 H new ATOM 0 HD2 LYS A 119 38.979 31.390 39.615 1.00 31.56 H new ATOM 0 HD3 LYS A 119 40.204 32.352 39.541 1.00 31.56 H new ATOM 0 HE2 LYS A 119 38.816 33.999 38.683 0.00 0.00 H new ATOM 0 HE3 LYS A 119 37.602 33.037 38.861 0.00 0.00 H new ATOM 0 HZ1 LYS A 119 37.811 34.374 40.677 0.00 0.00 H new ATOM 0 HZ2 LYS A 119 38.029 33.000 41.097 0.00 0.00 H new ATOM 0 HZ3 LYS A 119 39.160 33.897 40.930 0.00 0.00 H new ATOM 912 N GLU A 120 38.393 28.483 35.361 1.00 14.08 N ATOM 913 CA GLU A 120 38.915 27.196 35.266 1.00 13.32 C ATOM 914 C GLU A 120 39.451 26.927 33.882 1.00 16.57 C ATOM 915 O GLU A 120 40.511 26.406 33.777 1.00 27.38 O ATOM 916 CB GLU A 120 37.850 26.005 35.727 1.00 18.43 C ATOM 917 CG GLU A 120 37.417 26.193 37.186 1.00 43.35 C ATOM 918 CD GLU A 120 36.336 25.009 37.576 1.00 50.07 C ATOM 919 OE1 GLU A 120 35.911 24.904 38.761 1.00 43.18 O ATOM 920 OE2 GLU A 120 36.139 23.990 36.827 1.00 33.47 O ATOM 0 H GLU A 120 37.534 28.517 35.368 1.00 14.08 H new ATOM 0 HA GLU A 120 39.648 27.163 35.901 1.00 13.32 H new ATOM 0 HB2 GLU A 120 37.071 26.022 35.150 1.00 18.43 H new ATOM 0 HB3 GLU A 120 38.265 25.135 35.618 1.00 18.43 H new ATOM 0 HG2 GLU A 120 38.188 26.151 37.773 1.00 43.35 H new ATOM 0 HG3 GLU A 120 37.016 27.068 37.307 1.00 43.35 H new ATOM 921 N VAL A 121 38.771 27.313 32.868 1.00 16.87 N ATOM 922 CA VAL A 121 39.193 27.159 31.479 1.00 5.07 C ATOM 923 C VAL A 121 40.614 27.905 31.182 1.00 8.45 C ATOM 924 O VAL A 121 41.455 27.300 30.595 1.00 16.73 O ATOM 925 CB VAL A 121 38.152 27.616 30.514 1.00 7.52 C ATOM 926 CG1 VAL A 121 38.669 27.760 29.067 1.00 6.84 C ATOM 927 CG2 VAL A 121 36.780 26.668 30.589 1.00 11.25 C ATOM 0 H VAL A 121 38.005 27.696 32.946 1.00 16.87 H new ATOM 0 HA VAL A 121 39.321 26.207 31.345 1.00 5.07 H new ATOM 0 HB VAL A 121 37.910 28.512 30.796 1.00 7.52 H new ATOM 0 HG11 VAL A 121 37.946 28.059 28.493 1.00 6.84 H new ATOM 0 HG12 VAL A 121 39.389 28.409 29.044 1.00 6.84 H new ATOM 0 HG13 VAL A 121 38.997 26.903 28.753 1.00 6.84 H new ATOM 0 HG21 VAL A 121 36.127 26.993 29.950 1.00 11.25 H new ATOM 0 HG22 VAL A 121 37.009 25.749 30.378 1.00 11.25 H new ATOM 0 HG23 VAL A 121 36.406 26.710 31.483 1.00 11.25 H new ATOM 928 N VAL A 122 40.890 29.179 31.554 1.00 17.69 N ATOM 929 CA VAL A 122 42.172 30.008 31.156 1.00 3.64 C ATOM 930 C VAL A 122 43.353 29.900 32.086 1.00 12.52 C ATOM 931 O VAL A 122 44.546 30.242 31.673 1.00 20.01 O ATOM 932 CB VAL A 122 42.003 31.497 30.931 1.00 4.66 C ATOM 933 CG1 VAL A 122 40.952 31.610 29.829 1.00 5.55 C ATOM 934 CG2 VAL A 122 41.631 32.176 32.231 1.00 6.37 C ATOM 0 H VAL A 122 40.354 29.629 32.053 1.00 17.69 H new ATOM 0 HA VAL A 122 42.336 29.557 30.313 1.00 3.64 H new ATOM 0 HB VAL A 122 42.813 31.950 30.649 1.00 4.66 H new ATOM 0 HG11 VAL A 122 40.791 32.546 29.630 1.00 5.55 H new ATOM 0 HG12 VAL A 122 41.270 31.160 29.031 1.00 5.55 H new ATOM 0 HG13 VAL A 122 40.126 31.196 30.125 1.00 5.55 H new ATOM 0 HG21 VAL A 122 41.524 33.128 32.080 1.00 6.37 H new ATOM 0 HG22 VAL A 122 40.798 31.806 32.562 1.00 6.37 H new ATOM 0 HG23 VAL A 122 42.332 32.029 32.885 1.00 6.37 H new ATOM 935 N GLY A 123 43.007 29.339 33.254 1.00 15.67 N ATOM 936 CA GLY A 123 44.003 29.139 34.278 1.00 21.70 C ATOM 937 C GLY A 123 44.963 30.436 34.601 1.00 24.17 C ATOM 938 O GLY A 123 44.489 31.481 34.923 1.00 16.12 O ATOM 0 H GLY A 123 42.214 29.077 33.457 1.00 15.67 H new ATOM 0 HA2 GLY A 123 43.554 28.878 35.097 1.00 21.70 H new ATOM 0 HA3 GLY A 123 44.569 28.396 34.016 1.00 21.70 H new ATOM 939 N ALA A 124 46.263 30.352 34.548 1.00 21.19 N ATOM 940 CA ALA A 124 47.330 31.465 34.938 1.00 23.63 C ATOM 941 C ALA A 124 47.351 32.739 34.104 1.00 16.82 C ATOM 942 O ALA A 124 48.081 33.815 34.469 1.00 23.00 O ATOM 943 CB ALA A 124 48.739 31.038 34.861 1.00 20.35 C ATOM 0 H ALA A 124 46.646 29.631 34.277 1.00 21.19 H new ATOM 0 HA ALA A 124 47.011 31.628 35.840 1.00 23.63 H new ATOM 0 HB1 ALA A 124 49.315 31.776 35.114 1.00 20.35 H new ATOM 0 HB2 ALA A 124 48.885 30.293 35.464 1.00 20.35 H new ATOM 0 HB3 ALA A 124 48.945 30.764 33.954 1.00 20.35 H new ATOM 944 N LYS A 125 46.604 32.604 33.012 1.00 13.37 N ATOM 945 CA LYS A 125 46.542 33.766 32.135 1.00 21.11 C ATOM 946 C LYS A 125 45.513 34.623 32.623 1.00 22.78 C ATOM 947 O LYS A 125 45.260 35.600 31.933 1.00 16.04 O ATOM 948 CB LYS A 125 46.201 33.345 30.677 1.00 23.79 C ATOM 949 CG LYS A 125 47.275 32.593 30.044 1.00 37.08 C ATOM 950 CD LYS A 125 47.067 32.415 28.525 1.00 30.25 C ATOM 951 CE LYS A 125 45.659 31.642 28.163 1.00 40.08 C ATOM 952 NZ LYS A 125 45.495 30.232 28.633 1.00 37.75 N ATOM 0 H LYS A 125 46.159 31.908 32.773 1.00 13.37 H new ATOM 0 HA LYS A 125 47.403 34.213 32.128 1.00 21.11 H new ATOM 0 HB2 LYS A 125 45.393 32.808 30.680 1.00 23.79 H new ATOM 0 HB3 LYS A 125 46.013 34.138 30.151 1.00 23.79 H new ATOM 0 HG2 LYS A 125 48.118 33.048 30.200 1.00 37.08 H new ATOM 0 HG3 LYS A 125 47.342 31.720 30.461 1.00 37.08 H new ATOM 0 HD2 LYS A 125 47.073 33.286 28.097 1.00 30.25 H new ATOM 0 HD3 LYS A 125 47.811 31.913 28.157 1.00 30.25 H new ATOM 0 HE2 LYS A 125 44.929 32.165 28.530 1.00 40.08 H new ATOM 0 HE3 LYS A 125 45.555 31.648 27.199 1.00 40.08 H new ATOM 0 HZ1 LYS A 125 44.633 30.067 28.783 1.00 37.75 H new ATOM 0 HZ2 LYS A 125 45.799 29.674 28.010 1.00 37.75 H new ATOM 0 HZ3 LYS A 125 45.955 30.114 29.386 1.00 37.75 H new ATOM 953 N TRP A 126 44.875 34.209 33.728 1.00 15.25 N ATOM 954 CA TRP A 126 43.795 34.902 34.243 1.00 10.05 C ATOM 955 C TRP A 126 44.334 36.351 34.678 1.00 15.10 C ATOM 956 O TRP A 126 45.490 36.610 35.194 1.00 17.44 O ATOM 957 CB TRP A 126 43.076 34.083 35.414 1.00 11.41 C ATOM 958 CG TRP A 126 41.755 34.590 35.802 1.00 23.10 C ATOM 959 CD1 TRP A 126 40.534 34.348 35.210 1.00 20.11 C ATOM 960 CD2 TRP A 126 41.605 35.454 36.869 1.00 19.80 C ATOM 961 NE1 TRP A 126 39.624 35.042 35.897 1.00 26.61 N ATOM 962 CE2 TRP A 126 40.252 35.682 36.863 1.00 14.57 C ATOM 963 CE3 TRP A 126 42.531 36.051 37.800 1.00 29.86 C ATOM 964 CZ2 TRP A 126 39.766 36.513 37.788 1.00 35.96 C ATOM 965 CZ3 TRP A 126 42.043 36.897 38.726 1.00 43.53 C ATOM 966 CH2 TRP A 126 40.701 37.118 38.722 1.00 36.89 C ATOM 0 H TRP A 126 45.092 33.506 34.173 1.00 15.25 H new ATOM 0 HA TRP A 126 43.095 35.018 33.582 1.00 10.05 H new ATOM 0 HB2 TRP A 126 42.984 33.159 35.135 1.00 11.41 H new ATOM 0 HB3 TRP A 126 43.652 34.088 36.195 1.00 11.41 H new ATOM 0 HD1 TRP A 126 40.375 33.805 34.472 1.00 20.11 H new ATOM 0 HE1 TRP A 126 38.779 35.067 35.738 1.00 26.61 H new ATOM 0 HE3 TRP A 126 43.440 35.857 37.761 1.00 29.86 H new ATOM 0 HZ2 TRP A 126 38.856 36.699 37.833 1.00 35.96 H new ATOM 0 HZ3 TRP A 126 42.600 37.313 39.343 1.00 43.53 H new ATOM 0 HH2 TRP A 126 40.357 37.698 39.363 1.00 36.89 H new ATOM 967 N SER A 127 43.574 37.283 34.396 1.00 19.52 N ATOM 968 CA SER A 127 43.918 38.703 34.827 1.00 18.26 C ATOM 969 C SER A 127 42.686 39.332 35.239 1.00 20.34 C ATOM 970 O SER A 127 41.521 38.813 34.863 1.00 11.54 O ATOM 971 CB SER A 127 44.668 39.600 33.728 1.00 7.61 C ATOM 972 OG SER A 127 43.745 39.769 32.671 1.00 11.79 O ATOM 0 H SER A 127 42.837 37.201 33.960 1.00 19.52 H new ATOM 0 HA SER A 127 44.564 38.637 35.547 1.00 18.26 H new ATOM 0 HB2 SER A 127 44.932 40.456 34.099 1.00 7.61 H new ATOM 0 HB3 SER A 127 45.477 39.164 33.417 1.00 7.61 H new ATOM 0 HG SER A 127 43.875 39.179 32.088 1.00 11.79 H new ATOM 973 N GLU A 128 42.955 40.457 35.927 1.00 17.36 N ATOM 974 CA GLU A 128 41.886 41.225 36.324 1.00 18.05 C ATOM 975 C GLU A 128 41.227 41.754 35.108 1.00 5.80 C ATOM 976 O GLU A 128 39.966 41.690 35.069 1.00 15.51 O ATOM 977 CB GLU A 128 42.446 42.427 37.231 1.00 17.95 C ATOM 978 CG GLU A 128 42.926 41.947 38.587 1.00 56.84 C ATOM 979 CD GLU A 128 43.475 43.182 39.429 0.00 0.00 C ATOM 980 OE1 GLU A 128 44.481 43.146 40.175 0.00 0.00 O ATOM 981 OE2 GLU A 128 42.763 44.097 39.607 0.00 0.00 O ATOM 0 H GLU A 128 43.736 40.745 36.144 1.00 17.36 H new ATOM 0 HA GLU A 128 41.244 40.710 36.838 1.00 18.05 H new ATOM 0 HB2 GLU A 128 43.177 42.866 36.768 1.00 17.95 H new ATOM 0 HB3 GLU A 128 41.748 43.090 37.353 1.00 17.95 H new ATOM 0 HG2 GLU A 128 42.199 41.517 39.064 1.00 56.84 H new ATOM 0 HG3 GLU A 128 43.625 41.283 38.476 1.00 56.84 H new ATOM 982 N GLU A 129 42.071 42.205 34.145 1.00 8.94 N ATOM 983 CA GLU A 129 41.628 42.706 32.872 1.00 6.46 C ATOM 984 C GLU A 129 40.614 41.647 32.160 1.00 9.71 C ATOM 985 O GLU A 129 39.596 41.977 31.591 1.00 14.81 O ATOM 986 CB GLU A 129 42.867 43.076 31.958 1.00 10.40 C ATOM 987 CG GLU A 129 42.515 43.792 30.672 1.00 27.50 C ATOM 988 CD GLU A 129 42.534 45.294 30.950 1.00 44.10 C ATOM 989 OE1 GLU A 129 43.194 46.146 30.180 1.00 45.82 O ATOM 990 OE2 GLU A 129 41.763 45.685 31.812 1.00 37.82 O ATOM 0 H GLU A 129 42.926 42.218 34.240 1.00 8.94 H new ATOM 0 HA GLU A 129 41.126 43.525 33.010 1.00 6.46 H new ATOM 0 HB2 GLU A 129 43.474 43.634 32.468 1.00 10.40 H new ATOM 0 HB3 GLU A 129 43.346 42.262 31.739 1.00 10.40 H new ATOM 0 HG2 GLU A 129 43.150 43.568 29.974 1.00 27.50 H new ATOM 0 HG3 GLU A 129 41.640 43.516 30.358 1.00 27.50 H new ATOM 991 N LEU A 130 40.893 40.408 32.205 1.00 22.22 N ATOM 992 CA LEU A 130 40.005 39.279 31.578 1.00 14.02 C ATOM 993 C LEU A 130 38.665 39.006 32.331 1.00 6.71 C ATOM 994 O LEU A 130 37.560 38.784 31.714 1.00 14.49 O ATOM 995 CB LEU A 130 40.719 38.016 31.614 1.00 13.39 C ATOM 996 CG LEU A 130 39.884 36.725 31.021 1.00 9.55 C ATOM 997 CD1 LEU A 130 39.616 36.854 29.514 1.00 21.25 C ATOM 998 CD2 LEU A 130 40.543 35.467 31.323 1.00 21.09 C ATOM 0 H LEU A 130 41.600 40.107 32.590 1.00 22.22 H new ATOM 0 HA LEU A 130 39.808 39.599 30.684 1.00 14.02 H new ATOM 0 HB2 LEU A 130 41.542 38.111 31.109 1.00 13.39 H new ATOM 0 HB3 LEU A 130 40.969 37.828 32.532 1.00 13.39 H new ATOM 0 HG LEU A 130 39.025 36.724 31.472 1.00 9.55 H new ATOM 0 HD11 LEU A 130 39.124 36.077 29.205 1.00 21.25 H new ATOM 0 HD12 LEU A 130 39.095 37.654 29.345 1.00 21.25 H new ATOM 0 HD13 LEU A 130 40.460 36.912 29.039 1.00 21.25 H new ATOM 0 HD21 LEU A 130 40.023 34.734 30.959 1.00 21.09 H new ATOM 0 HD22 LEU A 130 41.429 35.462 30.928 1.00 21.09 H new ATOM 0 HD23 LEU A 130 40.618 35.363 32.285 1.00 21.09 H new ATOM 999 N ASN A 131 38.781 39.084 33.638 1.00 22.47 N ATOM 1000 CA ASN A 131 37.611 38.838 34.526 1.00 8.58 C ATOM 1001 C ASN A 131 36.675 39.876 34.318 1.00 8.90 C ATOM 1002 O ASN A 131 35.426 39.500 34.174 1.00 11.69 O ATOM 1003 CB ASN A 131 38.079 38.937 35.988 1.00 10.26 C ATOM 1004 CG ASN A 131 36.829 38.639 36.873 1.00 25.01 C ATOM 1005 OD1 ASN A 131 36.433 39.567 37.541 1.00 28.22 O ATOM 1006 ND2 ASN A 131 36.190 37.391 36.803 1.00 22.64 N ATOM 0 H ASN A 131 39.512 39.275 34.049 1.00 22.47 H new ATOM 0 HA ASN A 131 37.225 37.968 34.339 1.00 8.58 H new ATOM 0 HB2 ASN A 131 38.789 38.301 36.167 1.00 10.26 H new ATOM 0 HB3 ASN A 131 38.434 39.819 36.178 1.00 10.26 H new ATOM 0 HD21 ASN A 131 35.471 37.250 37.253 1.00 22.64 H new ATOM 0 HD22 ASN A 131 36.518 36.767 36.310 1.00 22.64 H new ATOM 1007 N SER A 132 37.301 41.128 34.201 1.00 12.86 N ATOM 1008 CA SER A 132 36.560 42.254 33.934 1.00 8.09 C ATOM 1009 C SER A 132 35.881 42.149 32.566 1.00 6.40 C ATOM 1010 O SER A 132 34.691 42.387 32.454 1.00 14.95 O ATOM 1011 CB SER A 132 37.476 43.633 34.076 1.00 3.00 C ATOM 1012 OG ASER A 132 38.374 43.892 32.956 0.33 17.00 O ATOM 1013 OG BSER A 132 38.192 43.663 35.316 0.33 6.93 O ATOM 1014 OG CSER A 132 37.030 44.589 33.174 0.33 3.06 O ATOM 0 H SER A 132 38.146 41.261 34.285 1.00 12.86 H new ATOM 0 HA SER A 132 35.858 42.317 34.600 1.00 8.09 H new ATOM 0 HB2ASER A 132 36.881 44.392 34.178 0.33 3.00 H new ATOM 0 HB2BSER A 132 38.103 43.684 33.338 0.33 3.00 H new ATOM 0 HB2CSER A 132 37.418 43.978 34.981 0.33 3.00 H new ATOM 0 HB3ASER A 132 38.002 43.574 34.889 0.33 3.00 H new ATOM 0 HB3BSER A 132 36.902 44.412 34.014 0.33 3.00 H new ATOM 0 HB3CSER A 132 38.410 43.430 33.909 0.33 3.00 H new ATOM 0 HG ASER A 132 38.576 43.166 32.585 0.33 3.06 H new ATOM 0 HG BSER A 132 38.804 43.088 35.300 0.33 3.06 H new ATOM 0 HG CSER A 132 37.495 45.285 33.250 0.33 3.06 H new ATOM 1015 N ALA A 133 36.589 41.740 31.579 1.00 12.35 N ATOM 1016 CA ALA A 133 36.030 41.570 30.220 1.00 13.38 C ATOM 1017 C ALA A 133 34.754 40.510 30.114 1.00 18.59 C ATOM 1018 O ALA A 133 33.710 40.806 29.558 1.00 16.27 O ATOM 1019 CB ALA A 133 37.112 41.245 29.230 1.00 9.44 C ATOM 0 H ALA A 133 37.423 41.541 31.642 1.00 12.35 H new ATOM 0 HA ALA A 133 35.645 42.431 29.992 1.00 13.38 H new ATOM 0 HB1 ALA A 133 36.723 41.138 28.348 1.00 9.44 H new ATOM 0 HB2 ALA A 133 37.761 41.966 29.211 1.00 9.44 H new ATOM 0 HB3 ALA A 133 37.552 40.421 29.490 1.00 9.44 H new ATOM 1020 N TRP A 134 34.792 39.345 30.722 1.00 16.15 N ATOM 1021 CA TRP A 134 33.600 38.288 30.730 1.00 5.19 C ATOM 1022 C TRP A 134 32.471 38.690 31.592 1.00 15.96 C ATOM 1023 O TRP A 134 31.260 38.275 31.282 1.00 17.22 O ATOM 1024 CB TRP A 134 33.929 36.920 31.237 1.00 8.43 C ATOM 1025 CG TRP A 134 34.588 36.103 30.185 1.00 8.00 C ATOM 1026 CD1 TRP A 134 35.907 36.074 29.954 1.00 3.92 C ATOM 1027 CD2 TRP A 134 33.894 35.172 29.284 1.00 12.72 C ATOM 1028 NE1 TRP A 134 36.045 35.163 28.911 1.00 9.43 N ATOM 1029 CE2 TRP A 134 34.868 34.640 28.521 1.00 12.49 C ATOM 1030 CE3 TRP A 134 32.522 34.764 29.080 1.00 24.77 C ATOM 1031 CZ2 TRP A 134 34.521 33.694 27.519 1.00 11.55 C ATOM 1032 CZ3 TRP A 134 32.171 33.813 28.069 1.00 9.97 C ATOM 1033 CH2 TRP A 134 33.141 33.298 27.308 1.00 14.95 C ATOM 0 H TRP A 134 35.480 39.078 31.163 1.00 16.15 H new ATOM 0 HA TRP A 134 33.390 38.266 29.783 1.00 5.19 H new ATOM 0 HB2 TRP A 134 34.512 36.990 32.009 1.00 8.43 H new ATOM 0 HB3 TRP A 134 33.118 36.478 31.533 1.00 8.43 H new ATOM 0 HD1 TRP A 134 36.576 36.552 30.390 1.00 3.92 H new ATOM 0 HE1 TRP A 134 36.800 34.957 28.555 1.00 9.43 H new ATOM 0 HE3 TRP A 134 31.854 35.127 29.616 1.00 24.77 H new ATOM 0 HZ2 TRP A 134 35.189 33.323 26.990 1.00 11.55 H new ATOM 0 HZ3 TRP A 134 31.285 33.559 27.944 1.00 9.97 H new ATOM 0 HH2 TRP A 134 32.931 32.684 26.641 1.00 14.95 H new ATOM 1034 N THR A 135 32.857 39.490 32.618 1.00 14.77 N ATOM 1035 CA THR A 135 31.857 39.944 33.524 1.00 17.56 C ATOM 1036 C THR A 135 31.036 40.919 32.853 1.00 9.04 C ATOM 1037 O THR A 135 29.767 40.685 32.892 1.00 15.10 O ATOM 1038 CB THR A 135 32.533 40.581 34.803 1.00 5.05 C ATOM 1039 OG1 THR A 135 33.099 39.572 35.537 1.00 11.97 O ATOM 1040 CG2 THR A 135 31.535 41.189 35.705 1.00 18.64 C ATOM 0 H THR A 135 33.660 39.754 32.777 1.00 14.77 H new ATOM 0 HA THR A 135 31.308 39.198 33.811 1.00 17.56 H new ATOM 0 HB THR A 135 33.166 41.248 34.494 1.00 5.05 H new ATOM 0 HG1 THR A 135 33.866 39.405 35.239 1.00 11.97 H new ATOM 0 HG21 THR A 135 31.984 41.569 36.476 1.00 18.64 H new ATOM 0 HG22 THR A 135 31.056 41.889 35.234 1.00 18.64 H new ATOM 0 HG23 THR A 135 30.908 40.510 35.999 1.00 18.64 H new ATOM 1041 N ILE A 136 31.731 41.883 32.139 1.00 8.03 N ATOM 1042 CA ILE A 136 31.055 42.841 31.394 1.00 5.18 C ATOM 1043 C ILE A 136 30.130 42.145 30.314 1.00 5.36 C ATOM 1044 O ILE A 136 28.943 42.400 30.215 1.00 20.73 O ATOM 1045 CB ILE A 136 32.093 43.953 30.746 1.00 20.69 C ATOM 1046 CG1 ILE A 136 33.023 44.756 31.789 1.00 27.95 C ATOM 1047 CG2 ILE A 136 31.413 44.915 29.862 1.00 25.26 C ATOM 1048 CD1 ILE A 136 34.237 45.638 31.119 1.00 19.11 C ATOM 0 H ILE A 136 32.588 41.945 32.114 1.00 8.03 H new ATOM 0 HA ILE A 136 30.472 43.343 31.985 1.00 5.18 H new ATOM 0 HB ILE A 136 32.694 43.392 30.231 1.00 20.69 H new ATOM 0 HG12 ILE A 136 32.460 45.351 32.308 1.00 27.95 H new ATOM 0 HG13 ILE A 136 33.411 44.119 32.409 1.00 27.95 H new ATOM 0 HG21 ILE A 136 32.061 45.544 29.508 1.00 25.26 H new ATOM 0 HG22 ILE A 136 30.991 44.439 29.129 1.00 25.26 H new ATOM 0 HG23 ILE A 136 30.738 45.396 30.366 1.00 25.26 H new ATOM 0 HD11 ILE A 136 34.739 46.083 31.820 1.00 19.11 H new ATOM 0 HD12 ILE A 136 34.828 45.051 30.622 1.00 19.11 H new ATOM 0 HD13 ILE A 136 33.862 46.302 30.519 1.00 19.11 H new ATOM 1049 N ALA A 137 30.656 41.288 29.556 1.00 10.19 N ATOM 1050 CA ALA A 137 29.882 40.590 28.446 1.00 17.51 C ATOM 1051 C ALA A 137 28.594 39.685 28.913 1.00 16.88 C ATOM 1052 O ALA A 137 27.511 39.628 28.260 1.00 9.07 O ATOM 1053 CB ALA A 137 30.770 39.744 27.654 1.00 10.05 C ATOM 0 H ALA A 137 31.478 41.044 29.615 1.00 10.19 H new ATOM 0 HA ALA A 137 29.518 41.326 27.930 1.00 17.51 H new ATOM 0 HB1 ALA A 137 30.261 39.308 26.953 1.00 10.05 H new ATOM 0 HB2 ALA A 137 31.467 40.289 27.256 1.00 10.05 H new ATOM 0 HB3 ALA A 137 31.173 39.072 28.226 1.00 10.05 H new ATOM 1054 N TYR A 138 28.694 39.090 30.076 1.00 9.80 N ATOM 1055 CA TYR A 138 27.507 38.276 30.674 1.00 7.71 C ATOM 1056 C TYR A 138 26.476 39.166 31.101 1.00 12.48 C ATOM 1057 O TYR A 138 25.287 38.892 30.671 1.00 18.52 O ATOM 1058 CB TYR A 138 27.881 37.429 31.870 1.00 8.15 C ATOM 1059 CG TYR A 138 26.642 36.446 32.377 1.00 15.31 C ATOM 1060 CD1 TYR A 138 25.780 36.871 33.305 1.00 14.76 C ATOM 1061 CD2 TYR A 138 26.382 35.147 31.885 1.00 8.05 C ATOM 1062 CE1 TYR A 138 24.656 36.005 33.745 1.00 5.46 C ATOM 1063 CE2 TYR A 138 25.264 34.266 32.331 1.00 8.67 C ATOM 1064 CZ TYR A 138 24.404 34.699 33.262 1.00 6.25 C ATOM 1065 OH TYR A 138 23.259 33.785 33.753 1.00 8.67 O ATOM 0 H TYR A 138 29.398 39.109 30.569 1.00 9.80 H new ATOM 0 HA TYR A 138 27.218 37.685 29.961 1.00 7.71 H new ATOM 0 HB2 TYR A 138 28.650 36.883 31.646 1.00 8.15 H new ATOM 0 HB3 TYR A 138 28.148 38.009 32.601 1.00 8.15 H new ATOM 0 HD1 TYR A 138 25.884 37.716 33.679 1.00 14.76 H new ATOM 0 HD2 TYR A 138 26.954 34.815 31.231 1.00 8.05 H new ATOM 0 HE1 TYR A 138 24.075 36.347 34.386 1.00 5.46 H new ATOM 0 HE2 TYR A 138 25.164 33.418 31.963 1.00 8.67 H new ATOM 0 HH TYR A 138 23.168 33.872 34.583 1.00 8.67 H new ATOM 1066 N ASP A 139 26.923 40.188 31.911 1.00 12.89 N ATOM 1067 CA ASP A 139 26.036 41.121 32.421 1.00 12.18 C ATOM 1068 C ASP A 139 25.262 41.739 31.331 1.00 5.17 C ATOM 1069 O ASP A 139 24.025 41.786 31.481 1.00 8.92 O ATOM 1070 CB ASP A 139 26.850 42.295 33.202 1.00 8.62 C ATOM 1071 CG ASP A 139 27.175 41.761 34.567 1.00 20.42 C ATOM 1072 OD1 ASP A 139 26.662 40.573 34.868 1.00 14.26 O ATOM 1073 OD2 ASP A 139 28.206 42.320 35.185 1.00 17.95 O ATOM 0 H ASP A 139 27.744 40.305 32.140 1.00 12.89 H new ATOM 0 HA ASP A 139 25.437 40.666 33.033 1.00 12.18 H new ATOM 0 HB2 ASP A 139 27.660 42.530 32.722 1.00 8.62 H new ATOM 0 HB3 ASP A 139 26.314 43.101 33.266 1.00 8.62 H new ATOM 1074 N GLU A 140 25.974 42.196 30.286 1.00 4.63 N ATOM 1075 CA GLU A 140 25.357 42.834 29.172 1.00 17.02 C ATOM 1076 C GLU A 140 24.341 41.831 28.401 1.00 15.88 C ATOM 1077 O GLU A 140 23.225 42.147 28.048 1.00 9.70 O ATOM 1078 CB GLU A 140 26.445 43.546 28.209 1.00 4.43 C ATOM 1079 CG GLU A 140 27.425 44.694 28.889 1.00 17.12 C ATOM 1080 CD GLU A 140 26.670 45.788 29.448 1.00 35.02 C ATOM 1081 OE1 GLU A 140 25.605 46.034 28.900 1.00 16.04 O ATOM 1082 OE2 GLU A 140 27.216 46.589 30.329 1.00 18.34 O ATOM 0 H GLU A 140 26.830 42.133 30.227 1.00 4.63 H new ATOM 0 HA GLU A 140 24.803 43.557 29.505 1.00 17.02 H new ATOM 0 HB2 GLU A 140 27.010 42.854 27.832 1.00 4.43 H new ATOM 0 HB3 GLU A 140 25.969 43.957 27.471 1.00 4.43 H new ATOM 0 HG2 GLU A 140 27.965 44.286 29.584 1.00 17.12 H new ATOM 0 HG3 GLU A 140 28.037 45.034 28.218 1.00 17.12 H new ATOM 1083 N LEU A 141 24.677 40.624 28.239 1.00 10.24 N ATOM 1084 CA LEU A 141 23.733 39.584 27.570 1.00 3.00 C ATOM 1085 C LEU A 141 22.485 39.155 28.440 1.00 16.24 C ATOM 1086 O LEU A 141 21.318 38.966 27.935 1.00 19.37 O ATOM 1087 CB LEU A 141 24.434 38.355 27.210 1.00 13.54 C ATOM 1088 CG LEU A 141 23.506 37.246 26.415 1.00 11.54 C ATOM 1089 CD1 LEU A 141 23.070 37.776 25.062 1.00 9.02 C ATOM 1090 CD2 LEU A 141 24.156 35.960 26.225 1.00 6.20 C ATOM 0 H LEU A 141 25.437 40.304 28.484 1.00 10.24 H new ATOM 0 HA LEU A 141 23.415 40.059 26.786 1.00 3.00 H new ATOM 0 HB2 LEU A 141 25.195 38.582 26.653 1.00 13.54 H new ATOM 0 HB3 LEU A 141 24.784 37.947 28.018 1.00 13.54 H new ATOM 0 HG LEU A 141 22.738 37.101 26.990 1.00 11.54 H new ATOM 0 HD11 LEU A 141 22.527 37.110 24.613 1.00 9.02 H new ATOM 0 HD12 LEU A 141 22.551 38.587 25.184 1.00 9.02 H new ATOM 0 HD13 LEU A 141 23.853 37.971 24.523 1.00 9.02 H new ATOM 0 HD21 LEU A 141 23.556 35.361 25.754 1.00 6.20 H new ATOM 0 HD22 LEU A 141 24.966 36.080 25.706 1.00 6.20 H new ATOM 0 HD23 LEU A 141 24.380 35.580 27.089 1.00 6.20 H new ATOM 1091 N ALA A 142 22.734 39.120 29.730 1.00 13.91 N ATOM 1092 CA ALA A 142 21.665 38.716 30.709 1.00 13.86 C ATOM 1093 C ALA A 142 20.671 39.721 30.791 1.00 21.31 C ATOM 1094 O ALA A 142 19.425 39.282 30.814 1.00 14.30 O ATOM 1095 CB ALA A 142 22.251 38.509 32.105 1.00 7.41 C ATOM 0 H ALA A 142 23.492 39.317 30.084 1.00 13.91 H new ATOM 0 HA ALA A 142 21.278 37.885 30.392 1.00 13.86 H new ATOM 0 HB1 ALA A 142 21.545 38.250 32.717 1.00 7.41 H new ATOM 0 HB2 ALA A 142 22.924 37.811 32.074 1.00 7.41 H new ATOM 0 HB3 ALA A 142 22.657 39.335 32.411 1.00 7.41 H new ATOM 1096 N ILE A 143 21.206 41.012 30.700 1.00 12.38 N ATOM 1097 CA ILE A 143 20.338 42.077 30.690 1.00 9.24 C ATOM 1098 C ILE A 143 19.334 41.897 29.533 1.00 17.13 C ATOM 1099 O ILE A 143 18.107 41.972 29.737 1.00 14.42 O ATOM 1100 CB ILE A 143 21.210 43.493 30.632 1.00 9.83 C ATOM 1101 CG1 ILE A 143 21.989 43.830 31.942 1.00 6.34 C ATOM 1102 CG2 ILE A 143 20.391 44.625 30.272 1.00 23.04 C ATOM 1103 CD1 ILE A 143 23.039 45.124 31.807 1.00 16.33 C ATOM 0 H ILE A 143 22.042 41.206 30.649 1.00 12.38 H new ATOM 0 HA ILE A 143 19.810 42.120 31.503 1.00 9.24 H new ATOM 0 HB ILE A 143 21.868 43.327 29.939 1.00 9.83 H new ATOM 0 HG12 ILE A 143 21.349 44.019 32.646 1.00 6.34 H new ATOM 0 HG13 ILE A 143 22.491 43.047 32.217 1.00 6.34 H new ATOM 0 HG21 ILE A 143 20.937 45.426 30.250 1.00 23.04 H new ATOM 0 HG22 ILE A 143 20.000 44.477 29.397 1.00 23.04 H new ATOM 0 HG23 ILE A 143 19.684 44.734 30.927 1.00 23.04 H new ATOM 0 HD11 ILE A 143 23.483 45.271 32.657 1.00 16.33 H new ATOM 0 HD12 ILE A 143 23.702 44.933 31.125 1.00 16.33 H new ATOM 0 HD13 ILE A 143 22.542 45.920 31.561 1.00 16.33 H new ATOM 1104 N VAL A 144 19.821 41.510 28.399 1.00 13.56 N ATOM 1105 CA VAL A 144 18.992 41.274 27.188 1.00 19.41 C ATOM 1106 C VAL A 144 17.910 40.028 27.300 1.00 20.37 C ATOM 1107 O VAL A 144 16.705 40.110 27.002 1.00 18.78 O ATOM 1108 CB VAL A 144 19.890 41.160 25.953 1.00 27.67 C ATOM 1109 CG1 VAL A 144 19.051 40.784 24.678 1.00 22.50 C ATOM 1110 CG2 VAL A 144 20.925 42.457 25.744 1.00 23.82 C ATOM 0 H VAL A 144 20.659 41.364 28.275 1.00 13.56 H new ATOM 0 HA VAL A 144 18.421 42.053 27.100 1.00 19.41 H new ATOM 0 HB VAL A 144 20.497 40.420 26.110 1.00 27.67 H new ATOM 0 HG11 VAL A 144 19.640 40.718 23.910 1.00 22.50 H new ATOM 0 HG12 VAL A 144 18.609 39.932 24.821 1.00 22.50 H new ATOM 0 HG13 VAL A 144 18.385 41.470 24.515 1.00 22.50 H new ATOM 0 HG21 VAL A 144 21.461 42.319 24.947 1.00 23.82 H new ATOM 0 HG22 VAL A 144 20.408 43.272 25.648 1.00 23.82 H new ATOM 0 HG23 VAL A 144 21.508 42.534 26.516 1.00 23.82 H new ATOM 1111 N ILE A 145 18.309 38.938 27.795 1.00 16.29 N ATOM 1112 CA ILE A 145 17.341 37.688 27.951 1.00 24.90 C ATOM 1113 C ILE A 145 16.262 37.797 29.006 1.00 28.54 C ATOM 1114 O ILE A 145 15.039 37.419 28.721 1.00 24.62 O ATOM 1115 CB ILE A 145 18.064 36.452 28.193 1.00 32.02 C ATOM 1116 CG1 ILE A 145 18.995 36.239 27.003 1.00 19.27 C ATOM 1117 CG2 ILE A 145 17.052 35.157 28.477 1.00 22.13 C ATOM 1118 CD1 ILE A 145 19.823 35.088 27.259 1.00 21.94 C ATOM 0 H ILE A 145 19.111 38.803 28.074 1.00 16.29 H new ATOM 0 HA ILE A 145 16.897 37.679 27.089 1.00 24.90 H new ATOM 0 HB ILE A 145 18.584 36.520 29.009 1.00 32.02 H new ATOM 0 HG12 ILE A 145 18.479 36.107 26.192 1.00 19.27 H new ATOM 0 HG13 ILE A 145 19.546 37.025 26.864 1.00 19.27 H new ATOM 0 HG21 ILE A 145 17.582 34.360 28.632 1.00 22.13 H new ATOM 0 HG22 ILE A 145 16.506 35.338 29.258 1.00 22.13 H new ATOM 0 HG23 ILE A 145 16.479 35.019 27.707 1.00 22.13 H new ATOM 0 HD11 ILE A 145 20.419 34.944 26.507 1.00 21.94 H new ATOM 0 HD12 ILE A 145 20.346 35.238 28.062 1.00 21.94 H new ATOM 0 HD13 ILE A 145 19.262 34.306 27.380 1.00 21.94 H new ATOM 1119 N LYS A 146 16.685 38.433 30.119 1.00 10.58 N ATOM 1120 CA LYS A 146 15.746 38.703 31.174 1.00 8.11 C ATOM 1121 C LYS A 146 14.749 39.594 30.670 1.00 24.69 C ATOM 1122 O LYS A 146 13.545 39.397 31.072 1.00 31.76 O ATOM 1123 CB LYS A 146 16.530 39.377 32.389 1.00 16.46 C ATOM 1124 CG LYS A 146 17.015 38.314 33.306 1.00 8.31 C ATOM 1125 CD LYS A 146 18.376 38.820 33.995 1.00 6.26 C ATOM 1126 CE LYS A 146 18.353 40.054 34.898 1.00 21.78 C ATOM 1127 NZ LYS A 146 19.724 40.497 35.425 1.00 33.82 N ATOM 0 H LYS A 146 17.490 38.701 30.261 1.00 10.58 H new ATOM 0 HA LYS A 146 15.321 37.887 31.483 1.00 8.11 H new ATOM 0 HB2 LYS A 146 17.277 39.898 32.057 1.00 16.46 H new ATOM 0 HB3 LYS A 146 15.947 39.989 32.865 1.00 16.46 H new ATOM 0 HG2 LYS A 146 16.346 38.120 33.982 1.00 8.31 H new ATOM 0 HG3 LYS A 146 17.170 37.491 32.817 1.00 8.31 H new ATOM 0 HD2 LYS A 146 18.727 38.083 34.519 1.00 6.26 H new ATOM 0 HD3 LYS A 146 19.014 38.992 33.285 1.00 6.26 H new ATOM 0 HE2 LYS A 146 17.957 40.791 34.406 1.00 21.78 H new ATOM 0 HE3 LYS A 146 17.773 39.874 35.655 1.00 21.78 H new ATOM 0 HZ1 LYS A 146 19.626 41.217 35.939 1.00 33.82 H new ATOM 0 HZ2 LYS A 146 20.086 39.839 35.902 1.00 33.82 H new ATOM 0 HZ3 LYS A 146 20.257 40.693 34.739 1.00 33.82 H new ATOM 1128 N LYS A 147 15.213 40.469 29.743 1.00 20.85 N ATOM 1129 CA LYS A 147 14.341 41.350 29.141 1.00 27.44 C ATOM 1130 C LYS A 147 13.239 40.547 28.279 1.00 15.85 C ATOM 1131 O LYS A 147 12.015 40.662 28.448 1.00 28.77 O ATOM 1132 CB LYS A 147 15.196 42.466 28.306 1.00 36.29 C ATOM 1133 CG LYS A 147 14.418 43.631 27.952 1.00 41.80 C ATOM 1134 CD LYS A 147 15.237 44.681 27.022 0.00 0.00 C ATOM 1135 CE LYS A 147 15.548 44.045 25.678 0.00 0.00 C ATOM 1136 NZ LYS A 147 16.253 45.079 24.776 0.00 0.00 N ATOM 0 H LYS A 147 16.032 40.527 29.486 1.00 20.85 H new ATOM 0 HA LYS A 147 13.828 41.843 29.801 1.00 27.44 H new ATOM 0 HB2 LYS A 147 15.960 42.743 28.836 1.00 36.29 H new ATOM 0 HB3 LYS A 147 15.545 42.059 27.497 1.00 36.29 H new ATOM 0 HG2 LYS A 147 13.617 43.349 27.484 1.00 41.80 H new ATOM 0 HG3 LYS A 147 14.130 44.080 28.762 1.00 41.80 H new ATOM 0 HD2 LYS A 147 14.714 45.488 26.894 0.00 0.00 H new ATOM 0 HD3 LYS A 147 16.060 44.943 27.463 0.00 0.00 H new ATOM 0 HE2 LYS A 147 16.114 43.267 25.800 0.00 0.00 H new ATOM 0 HE3 LYS A 147 14.730 43.737 25.257 0.00 0.00 H new ATOM 0 HZ1 LYS A 147 16.437 44.709 23.988 0.00 0.00 H new ATOM 0 HZ2 LYS A 147 15.720 45.782 24.657 0.00 0.00 H new ATOM 0 HZ3 LYS A 147 17.010 45.343 25.163 0.00 0.00 H new ATOM 1137 N GLU A 148 13.659 39.650 27.482 1.00 16.91 N ATOM 1138 CA GLU A 148 12.710 38.735 26.659 1.00 13.94 C ATOM 1139 C GLU A 148 11.766 37.706 27.480 1.00 31.55 C ATOM 1140 O GLU A 148 10.655 37.168 26.989 1.00 31.27 O ATOM 1141 CB GLU A 148 13.483 37.983 25.652 1.00 10.50 C ATOM 1142 CG GLU A 148 14.491 38.965 24.819 1.00 28.92 C ATOM 1143 CD GLU A 148 13.740 39.990 24.133 1.00 46.94 C ATOM 1144 OE1 GLU A 148 12.679 39.596 23.479 1.00 41.46 O ATOM 1145 OE2 GLU A 148 14.123 41.237 24.293 1.00 47.75 O ATOM 0 H GLU A 148 14.494 39.493 27.348 1.00 16.91 H new ATOM 0 HA GLU A 148 12.087 39.363 26.260 1.00 13.94 H new ATOM 0 HB2 GLU A 148 13.996 37.286 26.090 1.00 10.50 H new ATOM 0 HB3 GLU A 148 12.875 37.544 25.037 1.00 10.50 H new ATOM 0 HG2 GLU A 148 15.128 39.374 25.425 1.00 28.92 H new ATOM 0 HG3 GLU A 148 15.002 38.446 24.178 1.00 28.92 H new ATOM 1146 N MET A 149 12.200 37.452 28.687 1.00 26.40 N ATOM 1147 CA MET A 149 11.388 36.500 29.599 1.00 20.95 C ATOM 1148 C MET A 149 10.232 37.123 30.198 1.00 24.32 C ATOM 1149 O MET A 149 9.062 36.452 30.254 1.00 26.22 O ATOM 1150 CB MET A 149 12.257 36.110 30.761 1.00 21.07 C ATOM 1151 CG MET A 149 13.162 35.070 30.350 1.00 12.99 C ATOM 1152 SD MET A 149 14.330 34.716 31.620 1.00 20.73 S ATOM 1153 CE MET A 149 13.149 34.296 32.964 1.00 12.91 C ATOM 0 H MET A 149 12.918 37.775 29.033 1.00 26.40 H new ATOM 0 HA MET A 149 11.105 35.762 29.037 1.00 20.95 H new ATOM 0 HB2 MET A 149 12.755 36.880 31.079 1.00 21.07 H new ATOM 0 HB3 MET A 149 11.709 35.803 31.500 1.00 21.07 H new ATOM 0 HG2 MET A 149 12.662 34.268 30.133 1.00 12.99 H new ATOM 0 HG3 MET A 149 13.628 35.341 29.543 1.00 12.99 H new ATOM 0 HE1 MET A 149 13.572 33.686 33.588 1.00 12.91 H new ATOM 0 HE2 MET A 149 12.888 35.106 33.430 1.00 12.91 H new ATOM 0 HE3 MET A 149 12.363 33.874 32.584 1.00 12.91 H new ATOM 1154 N ASP A 150 10.580 38.351 30.675 1.00 35.85 N ATOM 1155 CA ASP A 150 9.569 39.081 31.272 1.00 56.08 C ATOM 1156 C ASP A 150 8.526 39.333 30.232 1.00 50.15 C ATOM 1157 O ASP A 150 7.283 39.081 30.496 1.00 48.77 O ATOM 1158 CB ASP A 150 10.239 40.433 31.883 1.00 53.23 C ATOM 1159 CG ASP A 150 10.947 40.148 33.181 1.00 51.51 C ATOM 1160 OD1 ASP A 150 11.272 38.997 33.369 0.00 0.00 O ATOM 1161 OD2 ASP A 150 10.855 40.892 34.178 0.00 0.00 O ATOM 0 H ASP A 150 11.359 38.715 30.643 1.00 35.85 H new ATOM 0 HA ASP A 150 9.134 38.621 32.007 1.00 56.08 H new ATOM 0 HB2 ASP A 150 10.867 40.804 31.243 1.00 53.23 H new ATOM 0 HB3 ASP A 150 9.551 41.102 32.026 1.00 53.23 H new ATOM 1162 N ASP A 151 9.022 39.562 29.025 1.00 40.25 N ATOM 1163 CA ASP A 151 8.133 39.654 27.874 1.00 47.65 C ATOM 1164 C ASP A 151 7.338 38.293 27.455 1.00 62.47 C ATOM 1165 O ASP A 151 6.188 38.248 26.934 1.00 59.32 O ATOM 1166 CB ASP A 151 8.924 40.343 26.674 1.00 56.06 C ATOM 1167 CG ASP A 151 9.187 41.869 26.908 1.00 49.88 C ATOM 1168 OD1 ASP A 151 9.727 42.315 27.987 0.00 0.00 O ATOM 1169 OD2 ASP A 151 8.485 42.598 26.278 0.00 0.00 O ATOM 0 H ASP A 151 9.858 39.666 28.850 1.00 40.25 H new ATOM 0 HA ASP A 151 7.387 40.215 28.139 1.00 47.65 H new ATOM 0 HB2 ASP A 151 9.772 39.889 26.550 1.00 56.06 H new ATOM 0 HB3 ASP A 151 8.419 40.229 25.854 1.00 56.06 H new ATOM 1170 N ALA A 152 7.876 37.209 27.748 1.00 52.70 N ATOM 1171 CA ALA A 152 7.139 35.857 27.430 1.00 52.64 C ATOM 1172 C ALA A 152 6.156 35.310 28.535 1.00 61.67 C ATOM 1173 O ALA A 152 5.421 34.178 28.402 1.00 53.59 O ATOM 1174 CB ALA A 152 8.113 34.833 27.175 1.00 48.19 C ATOM 0 H ALA A 152 8.645 37.128 28.124 1.00 52.70 H new ATOM 0 HA ALA A 152 6.585 36.069 26.662 1.00 52.64 H new ATOM 0 HB1 ALA A 152 7.661 33.998 26.979 1.00 48.19 H new ATOM 0 HB2 ALA A 152 8.661 35.089 26.417 1.00 48.19 H new ATOM 0 HB3 ALA A 152 8.676 34.719 27.957 1.00 48.19 H new ATOM 1175 N ALA A 153 6.219 36.069 29.621 1.00 52.71 N ATOM 1176 CA ALA A 153 5.454 35.632 30.841 1.00 58.79 C ATOM 1177 C ALA A 153 4.030 36.002 30.879 1.00 55.43 C ATOM 1178 O ALA A 153 3.848 37.119 31.365 0.00 0.00 O ATOM 1179 CB ALA A 153 6.242 36.217 32.088 1.00 55.90 C ATOM 1180 OXT ALA A 153 3.098 35.330 30.205 0.00 0.00 O ATOM 0 H ALA A 153 6.664 36.801 29.697 1.00 52.71 H new ATOM 0 HA ALA A 153 5.414 34.663 30.840 1.00 58.79 H new ATOM 0 HB1 ALA A 153 5.788 35.963 32.906 1.00 55.90 H new ATOM 0 HB2 ALA A 153 7.145 35.862 32.096 1.00 55.90 H new ATOM 0 HB3 ALA A 153 6.276 37.184 32.025 1.00 55.90 H new TER 1181 ALA A 153 HETATM 1182 C CYN A 154 20.670 27.507 30.303 1.00 3.00 C HETATM 1183 N CYN A 154 21.140 26.671 30.810 1.00 15.44 N HETATM 1184 FE HEM A 155 18.756 28.667 29.850 1.00 13.96 FE HETATM 1185 CHA HEM A 155 16.978 26.198 27.795 1.00 14.14 C HETATM 1186 CHB HEM A 155 20.622 29.959 27.024 1.00 10.76 C HETATM 1187 CHC HEM A 155 20.229 31.442 31.607 1.00 6.71 C HETATM 1188 CHD HEM A 155 17.178 27.258 32.523 1.00 14.08 C HETATM 1189 NA HEM A 155 18.787 28.185 27.780 1.00 19.07 N HETATM 1190 C1A HEM A 155 17.961 27.126 27.166 1.00 8.47 C HETATM 1191 C2A HEM A 155 18.345 27.095 25.762 1.00 11.64 C HETATM 1192 C3A HEM A 155 19.395 28.106 25.561 1.00 16.31 C HETATM 1193 C4A HEM A 155 19.662 28.815 26.828 1.00 25.21 C HETATM 1194 CMA HEM A 155 20.171 28.487 24.252 1.00 19.79 C HETATM 1195 CAA HEM A 155 17.665 26.083 24.721 1.00 26.51 C HETATM 1196 CBA HEM A 155 16.633 26.748 23.919 1.00 50.52 C HETATM 1197 CGA HEM A 155 16.049 25.793 22.808 1.00 61.71 C HETATM 1198 O1A HEM A 155 14.820 25.279 22.843 1.00 59.48 O HETATM 1199 O2A HEM A 155 16.726 25.692 21.763 1.00 58.37 O HETATM 1200 NB HEM A 155 20.142 30.436 29.364 1.00 13.65 N HETATM 1201 C1B HEM A 155 20.831 30.720 28.185 1.00 14.24 C HETATM 1202 C2B HEM A 155 21.802 31.953 28.341 1.00 17.46 C HETATM 1203 C3B HEM A 155 21.649 32.420 29.604 1.00 13.10 C HETATM 1204 C4B HEM A 155 20.618 31.432 30.265 1.00 9.04 C HETATM 1205 CMB HEM A 155 22.779 32.554 27.228 1.00 6.41 C HETATM 1206 CAB HEM A 155 22.424 33.694 30.285 1.00 13.72 C HETATM 1207 CBB HEM A 155 22.896 34.809 29.594 1.00 6.14 C HETATM 1208 NC HEM A 155 18.688 29.269 31.713 1.00 10.15 N HETATM 1209 C1C HEM A 155 19.372 30.428 32.284 1.00 14.53 C HETATM 1210 C2C HEM A 155 19.090 30.384 33.715 1.00 16.52 C HETATM 1211 C3C HEM A 155 18.312 29.179 33.978 1.00 15.16 C HETATM 1212 C4C HEM A 155 18.018 28.489 32.705 1.00 19.22 C HETATM 1213 CMC HEM A 155 19.641 31.498 34.719 1.00 9.55 C HETATM 1214 CAC HEM A 155 17.798 28.608 35.345 1.00 14.02 C HETATM 1215 CBC HEM A 155 18.475 27.767 35.998 1.00 5.29 C HETATM 1216 ND HEM A 155 17.281 27.042 30.089 1.00 18.46 N HETATM 1217 C1D HEM A 155 16.810 26.604 31.324 1.00 13.49 C HETATM 1218 C2D HEM A 155 15.871 25.338 31.168 1.00 16.31 C HETATM 1219 C3D HEM A 155 15.790 25.056 29.848 1.00 17.34 C HETATM 1220 C4D HEM A 155 16.692 26.129 29.157 1.00 28.30 C HETATM 1221 CMD HEM A 155 15.146 24.492 32.318 1.00 9.55 C HETATM 1222 CAD HEM A 155 14.961 23.805 29.192 1.00 17.17 C HETATM 1223 CBD HEM A 155 15.836 22.690 28.961 1.00 21.34 C HETATM 1224 CGD HEM A 155 14.891 21.362 28.727 1.00 41.06 C HETATM 1225 O1D HEM A 155 14.152 20.849 29.669 1.00 38.18 O HETATM 1226 O2D HEM A 155 15.053 20.650 27.722 1.00 44.36 O HETATM 0 HMA1 HEM A 155 20.406 29.428 24.277 1.00 19.79 H new HETATM 0 HMA2 HEM A 155 19.609 28.315 23.481 1.00 19.79 H new HETATM 0 HMA3 HEM A 155 20.979 27.954 24.188 1.00 19.79 H new HETATM 0 HMB1 HEM A 155 23.064 31.845 26.630 1.00 6.41 H new HETATM 0 HMB2 HEM A 155 23.556 32.946 27.657 1.00 6.41 H new HETATM 0 HMB3 HEM A 155 22.311 33.236 26.721 1.00 6.41 H new HETATM 0 HMC1 HEM A 155 20.481 31.848 34.384 1.00 9.55 H new HETATM 0 HMC2 HEM A 155 19.781 31.104 35.594 1.00 9.55 H new HETATM 0 HMC3 HEM A 155 18.996 32.219 34.789 1.00 9.55 H new HETATM 0 HMD1 HEM A 155 14.320 24.119 31.973 1.00 9.55 H new HETATM 0 HMD2 HEM A 155 14.950 25.071 33.071 1.00 9.55 H new HETATM 0 HMD3 HEM A 155 15.729 23.773 32.607 1.00 9.55 H new HETATM 0 HBB1 HEM A 155 23.346 35.522 30.074 1.00 6.14 H new HETATM 0 HBB2 HEM A 155 22.775 34.872 28.634 1.00 6.14 H new HETATM 0 HBC1 HEM A 155 18.140 27.425 36.842 1.00 5.29 H new HETATM 0 HBC2 HEM A 155 19.330 27.462 35.656 1.00 5.29 H new HETATM 0 HBA1 HEM A 155 17.008 27.539 23.501 1.00 50.52 H new HETATM 0 HBA2 HEM A 155 15.915 27.047 24.499 1.00 50.52 H new HETATM 0 HAA1 HEM A 155 17.272 25.338 25.202 1.00 26.51 H new HETATM 0 HAA2 HEM A 155 18.345 25.715 24.135 1.00 26.51 H new HETATM 0 HBD1 HEM A 155 16.429 22.558 29.718 1.00 21.34 H new HETATM 0 HBD2 HEM A 155 16.397 22.851 28.186 1.00 21.34 H new HETATM 0 HAD1 HEM A 155 14.553 24.082 28.357 1.00 17.17 H new HETATM 0 HAD2 HEM A 155 14.240 23.541 29.785 1.00 17.17 H new HETATM 0 HHA HEM A 155 16.518 25.618 27.232 1.00 14.14 H new HETATM 0 HHB HEM A 155 21.139 30.189 26.286 1.00 10.76 H new HETATM 0 HHC HEM A 155 20.534 32.149 32.128 1.00 6.71 H new HETATM 0 HHD HEM A 155 16.856 26.873 33.306 1.00 14.08 H new HETATM 0 HAB HEM A 155 22.565 33.670 31.244 1.00 13.72 H new HETATM 0 HAC HEM A 155 16.944 28.907 35.695 1.00 14.02 H new HETATM 1227 O HOH A 156 25.931 15.090 29.267 1.00 12.43 O HETATM 1228 O HOH A 157 28.451 16.636 28.850 1.00 8.43 O HETATM 1229 O HOH A 158 23.324 44.985 27.486 1.00 20.76 O HETATM 1230 O HOH A 159 47.234 35.449 36.897 1.00 23.81 O HETATM 1231 O HOH A 160 24.916 36.686 21.985 1.00 21.58 O HETATM 1232 O HOH A 161 26.790 36.363 40.213 1.00 31.38 O HETATM 1233 O HOH A 162 26.477 19.341 41.853 1.00 36.88 O HETATM 1234 O HOH A 163 31.774 50.607 15.087 1.00 28.05 O HETATM 1235 O HOH A 164 29.427 38.962 17.672 1.00 28.73 O HETATM 1236 O HOH A 165 27.915 52.056 19.905 1.00 10.94 O HETATM 1237 O HOH A 166 19.378 45.327 20.062 1.00 30.59 O HETATM 1238 O HOH A 167 21.522 47.746 20.830 1.00 19.03 O HETATM 1239 O HOH A 168 22.038 46.981 23.475 1.00 26.77 O HETATM 1240 O HOH A 169 24.429 46.737 25.236 1.00 21.81 O HETATM 1241 O HOH A 170 21.695 48.346 29.235 1.00 24.25 O HETATM 1242 O HOH A 171 24.555 48.301 29.793 1.00 15.26 O HETATM 1243 O HOH A 172 25.759 47.956 32.242 1.00 17.03 O HETATM 1244 O HOH A 173 16.025 30.463 20.749 1.00 42.24 O HETATM 1245 O HOH A 174 34.446 20.180 22.212 1.00 37.97 O HETATM 1246 O HOH A 175 19.071 19.613 24.065 1.00 53.19 O HETATM 1247 O HOH A 176 30.512 38.862 40.078 1.00 23.14 O HETATM 1248 O HOH A 177 33.043 39.811 38.393 1.00 21.62 O HETATM 1249 O HOH A 178 42.372 26.184 36.113 1.00 46.35 O HETATM 1250 O HOH A 179 29.763 51.446 24.994 1.00 15.17 O HETATM 1251 O HOH A 180 23.333 39.642 17.681 1.00 36.08 O HETATM 1252 O HOH A 181 29.619 25.953 20.332 1.00 52.74 O HETATM 1253 O HOH A 182 40.853 45.561 34.700 1.00 44.43 O HETATM 1254 O HOH A 183 13.363 35.834 40.544 1.00 27.43 O HETATM 1255 O HOH A 184 22.650 41.468 34.110 1.00 28.51 O HETATM 1256 O HOH A 185 13.367 23.775 41.432 1.00 47.45 O HETATM 1257 O HOH A 186 17.016 42.953 31.992 1.00 34.45 O HETATM 1258 O HOH A 187 25.696 38.758 39.338 1.00 43.36 O HETATM 1259 O HOH A 188 17.414 21.590 25.728 1.00 41.22 O HETATM 1260 O HOH A 189 21.290 46.625 27.013 1.00 41.47 O HETATM 1261 O HOH A 190 29.523 44.573 33.774 1.00 40.78 O HETATM 1262 O HOH A 191 38.326 42.061 37.465 1.00 42.39 O HETATM 1263 O HOH A 192 44.189 37.833 30.883 1.00 36.56 O HETATM 1264 O HOH A 193 47.347 27.991 33.578 1.00 48.42 O HETATM 1265 O HOH A 194 37.960 49.187 21.258 1.00 45.43 O HETATM 1266 O HOH A 195 25.012 39.392 21.150 1.00 50.73 O HETATM 1267 O HOH A 196 25.519 23.615 20.762 1.00 40.89 O HETATM 1268 O HOH A 197 31.809 48.572 24.712 1.00 43.11 O HETATM 1269 O HOH A 198 21.840 9.944 34.939 1.00 36.08 O HETATM 1270 O HOH A 199 19.979 9.637 31.559 1.00 38.09 O HETATM 1271 O HOH A 200 18.395 11.845 30.916 1.00 49.04 O HETATM 1272 O HOH A 201 35.895 15.577 25.956 1.00 41.92 O HETATM 1273 O HOH A 202 40.111 23.818 26.807 1.00 43.60 O HETATM 1274 O HOH A 203 42.734 32.380 26.300 1.00 43.35 O HETATM 1275 O HOH A 204 42.240 34.812 19.287 1.00 46.53 O HETATM 1276 O HOH A 205 42.076 37.474 20.405 1.00 48.86 O HETATM 1277 O HOH A 206 42.739 30.969 22.511 1.00 36.51 O HETATM 1278 O HOH A 207 17.199 12.121 43.334 1.00 55.59 O HETATM 1279 O HOH A 208 27.025 38.490 16.111 1.00 45.39 O HETATM 1280 O HOH A 209 29.364 15.027 21.902 1.00 43.70 O HETATM 1281 O HOH A 210 23.384 37.799 37.490 1.00 44.56 O HETATM 1282 O HOH A 211 20.796 38.790 37.729 1.00 41.87 O HETATM 1283 O HOH A 212 36.832 34.800 35.450 1.00 37.27 O HETATM 1284 O HOH A 213 11.607 35.912 37.024 1.00 36.20 O HETATM 1285 O HOH A 214 24.017 39.446 35.235 1.00 36.66 O HETATM 1286 O HOH A 215 30.353 27.368 22.793 1.00 37.47 O HETATM 1287 O HOH A 216 36.066 23.675 33.475 1.00 44.96 O HETATM 1288 O HOH A 217 27.911 51.373 36.184 1.00 40.84 O HETATM 1289 O HOH A 218 46.633 37.277 29.917 1.00 33.89 O HETATM 1290 O HOH A 219 20.648 15.492 37.335 1.00 32.36 O HETATM 1291 O HOH A 220 45.476 42.246 24.707 1.00 32.66 O HETATM 1292 O HOH A 221 43.913 49.300 24.183 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