USER MOD reduce.3.24.130724 H: found=0, std=0, add=1241, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER OXYGEN TRANSPORT 23-APR-82 2LH7 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 (NITROSOBENZENE); 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 5 24-FEB-09 2LH7 1 VERSN REVDAT 4 14-JUL-86 2LH7 1 HET REVDAT 3 31-MAY-84 2LH7 1 HET FORMUL REVDAT 2 30-SEP-83 2LH7 1 REVDAT REVDAT 1 20-JAN-83 2LH7 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 : 51 REMARK 3 SOLVENT ATOMS : 64 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 2LH7 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 (%): 55.13 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.74 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: B 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 X+1/2,Y,Z+1/2 REMARK 290 4555 -X+1/2,-Y,Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 46.61500 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 25.94000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 46.61500 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 25.94000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 CB LEU A 130 LIES ON A SPECIAL POSITION. REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 GLY A 1 O REMARK 480 ALA A 2 CB REMARK 480 LYS A 12 NZ REMARK 480 LYS A 24 CE NZ REMARK 480 LYS A 41 NZ REMARK 480 LYS A 48 CG CD CE NZ REMARK 480 SER A 51 OG REMARK 480 GLU A 52 CG CD OE1 OE2 REMARK 480 LYS A 66 NZ REMARK 480 LYS A 69 NZ REMARK 480 LYS A 91 CD CE NZ REMARK 480 LYS A 100 NZ REMARK 480 LYS A 116 NZ REMARK 480 LYS A 119 CE NZ REMARK 480 GLU A 128 CD OE1 OE2 REMARK 480 LYS A 147 CD CE NZ REMARK 480 ASP A 150 OD1 OD2 REMARK 480 ASP A 151 OD1 OD2 REMARK 480 ALA A 153 O OXT REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 217 DISTANCE = 8.02 ANGSTROMS REMARK 615 REMARK 615 ZERO OCCUPANCY ATOM REMARK 615 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 615 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 615 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 615 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 615 M RES C SSEQI REMARK 615 HEM A 154 REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM A 154 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 97 NE2 REMARK 620 2 NBE A 155 N 178.9 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 154 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NBE A 155 DBREF 2LH7 A 1 153 UNP P02240 LGB2_LUPLU 1 153 SEQADV 2LH7 GLU A 79 UNP P02240 GLN 79 CONFLICT SEQADV 2LH7 ASP A 150 UNP P02240 ASN 150 CONFLICT SEQRES 1 A 153 GLY ALA LEU THR GLU SER GLN ALA ALA LEU VAL LYS SER SEQRES 2 A 153 SER TRP GLU GLU PHE ASN ALA ASN ILE PRO LYS HIS THR SEQRES 3 A 153 HIS ARG PHE PHE ILE LEU VAL LEU GLU ILE ALA PRO ALA SEQRES 4 A 153 ALA LYS ASP LEU PHE SER PHE LEU LYS GLY THR SER GLU SEQRES 5 A 153 VAL PRO GLN ASN ASN PRO GLU LEU GLN ALA HIS ALA GLY SEQRES 6 A 153 LYS VAL PHE LYS LEU VAL TYR GLU ALA ALA ILE GLN LEU SEQRES 7 A 153 GLU VAL THR GLY VAL VAL VAL THR ASP ALA THR LEU LYS SEQRES 8 A 153 ASN LEU GLY SER VAL HIS VAL SER LYS GLY VAL ALA ASP SEQRES 9 A 153 ALA HIS PHE PRO VAL VAL LYS GLU ALA ILE LEU LYS THR SEQRES 10 A 153 ILE LYS GLU VAL VAL GLY ALA LYS TRP SER GLU GLU LEU SEQRES 11 A 153 ASN SER ALA TRP THR ILE ALA TYR ASP GLU LEU ALA ILE SEQRES 12 A 153 VAL ILE LYS LYS GLU MET ASP ASP ALA ALA HET HEM A 154 43 HET NBE A 155 8 HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETNAM NBE NITROSOBENZENE HETSYN HEM HEME FORMUL 2 HEM C34 H32 FE N4 O4 FORMUL 3 NBE C6 H5 N O FORMUL 4 HOH *64(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 NE2 HIS A 97 FE HEM A 154 1555 1555 2.18 LINK FE HEM A 154 N NBE A 155 1555 1555 2.10 SITE *** AC1 14 LEU A 43 PHE A 44 SER A 45 HIS A 63 SITE *** AC1 14 LEU A 93 HIS A 97 LYS A 100 VAL A 102 SITE *** AC1 14 HIS A 106 PHE A 107 VAL A 110 TYR A 138 SITE *** AC1 14 ILE A 145 NBE A 155 SITE *** AC2 5 PHE A 30 PHE A 44 HIS A 63 VAL A 67 SITE *** AC2 5 HEM A 154 CRYST1 93.230 38.250 51.880 90.00 90.00 98.70 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 0.010726 0.001641 0.000000 0.00000 SCALE2 0.000000 0.026448 0.000000 0.00000 SCALE3 0.000000 0.000000 0.019275 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 97 HIS HE2 : A 97 HIS NE2 : A 154 HEMFE :(H bumps) USER MOD Set 1.1: A 7 GLN : amide:sc= -0.118 K(o=1.1,f=-4.6!) USER MOD Set 1.2: A 132 SER OG A: rot -21:sc= 1.24 USER MOD Set 1.3: A 132 SER OG C: rot 180:sc= 0 USER MOD Set 2.1: A 86 THR OG1 : rot 105:sc= -0.134 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 -140:sc= 1.22 USER MOD Set 4.2: A 6 SER OG : rot -39:sc= 0.957 USER MOD Single : A 1 GLY N :NH3+ -175:sc=-0.00557 (180deg=-0.0176) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -1:sc= 1.01 USER MOD Single : A 19 ASN : amide:sc= 0.927 K(o=0.93,f=-0.86) USER MOD Single : A 21 ASN : amide:sc= -3.48! K(o=-3.5!,f=-0.39) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -1.53 K(o=-1.5,f=0.092) USER MOD Single : A 26 THR OG1 : rot -73:sc= 1 USER MOD Single : A 27 HIS : no HD1:sc= -0.22 X(o=-0.22,f=-0.038) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.014 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -69:sc= 1.28 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.098 K(o=-0.098,f=-1.7!) USER MOD Single : A 56 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.19) USER MOD Single : A 57 ASN : amide:sc= -1.18 K(o=-1.2,f=-7.7!) USER MOD Single : A 61 GLN : amide:sc= -2.36! K(o=-2.4!,f=-0.25) USER MOD Single : A 63 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.12) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -2.63! K(o=-2.6!,f=0.48) USER MOD Single : A 81 THR OG1 : rot -44:sc= 1.45 USER MOD Single : A 89 THR OG1 : rot 102:sc=0.000286 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.015) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 70:sc= 0.0508 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= 1 K(o=1,f=-5.3!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0.637 (180deg=0.637) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 72:sc= 0.319 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.328) USER MOD Single : A 127 SER OG : rot -43:sc= 0.229 USER MOD Single : A 131 ASN : amide:sc= 0.418 X(o=0.42,f=0.61) USER MOD Single : A 132 SER OG B: rot 78:sc= 1.28 USER MOD Single : A 135 THR OG1 : rot 88:sc= 2.1 USER MOD Single : A 138 TYR OH : rot -42:sc= 0.878 USER MOD Single : A 146 LYS NZ :NH3+ -177:sc= 0.402 (180deg=0.397) USER MOD Single : A 149 MET CE :methyl 155:sc= -0.305 (180deg=-1.58!) USER MOD Single : A 154 HEM CMA :methyl -30:sc= -0.913 (180deg=-2.74) USER MOD Single : A 154 HEM CMB :methyl -30:sc= -0.773 (180deg=-2.59!) USER MOD Single : A 154 HEM CMC :methyl -30:sc= -0.136 (180deg=-1.7) USER MOD Single : A 154 HEM CMD :methyl -30:sc= -1.19 (180deg=-1.19) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 36.187 49.300 32.252 1.00 64.29 N ATOM 2 CA GLY A 1 36.953 48.680 31.230 1.00 61.22 C ATOM 3 C GLY A 1 36.540 48.972 29.802 1.00 66.01 C ATOM 4 O GLY A 1 37.436 49.232 28.919 0.00 0.00 O ATOM 0 H1 GLY A 1 36.552 49.125 33.045 1.00 64.29 H new ATOM 0 H2 GLY A 1 36.173 50.180 32.120 1.00 64.29 H new ATOM 0 H3 GLY A 1 35.355 48.984 32.233 1.00 64.29 H new ATOM 0 HA2 GLY A 1 37.879 48.949 31.339 1.00 61.22 H new ATOM 0 HA3 GLY A 1 36.919 47.720 31.365 1.00 61.22 H new ATOM 5 N ALA A 2 35.224 48.951 29.625 1.00 65.32 N ATOM 6 CA ALA A 2 34.529 49.225 28.379 1.00 55.06 C ATOM 7 C ALA A 2 34.573 48.203 27.253 1.00 50.44 C ATOM 8 O ALA A 2 33.726 48.168 26.324 1.00 50.74 O ATOM 9 CB ALA A 2 35.023 50.665 27.854 0.00 0.00 C ATOM 0 H ALA A 2 34.684 48.765 30.268 1.00 65.32 H new ATOM 0 HA ALA A 2 33.590 49.186 28.619 1.00 55.06 H new ATOM 0 HB1 ALA A 2 34.575 50.877 27.020 0.00 0.00 H new ATOM 0 HB2 ALA A 2 34.810 51.341 28.516 0.00 0.00 H new ATOM 0 HB3 ALA A 2 35.982 50.645 27.709 0.00 0.00 H new ATOM 10 N LEU A 3 35.617 47.538 27.245 1.00 61.06 N ATOM 11 CA LEU A 3 35.931 46.619 26.174 1.00 33.39 C ATOM 12 C LEU A 3 36.914 47.223 25.095 1.00 37.27 C ATOM 13 O LEU A 3 36.534 47.661 24.003 1.00 29.61 O ATOM 14 CB LEU A 3 34.750 45.585 25.660 1.00 40.83 C ATOM 15 CG LEU A 3 34.681 44.250 26.436 1.00 35.05 C ATOM 16 CD1 LEU A 3 33.222 43.632 26.791 1.00 46.62 C ATOM 17 CD2 LEU A 3 35.423 43.243 25.675 1.00 36.96 C ATOM 0 H LEU A 3 36.214 47.577 27.863 1.00 61.06 H new ATOM 0 HA LEU A 3 36.468 45.940 26.613 1.00 33.39 H new ATOM 0 HB2 LEU A 3 33.892 46.032 25.731 1.00 40.83 H new ATOM 0 HB3 LEU A 3 34.892 45.392 24.720 1.00 40.83 H new ATOM 0 HG LEU A 3 35.056 44.471 27.303 1.00 35.05 H new ATOM 0 HD11 LEU A 3 33.332 42.799 27.276 1.00 46.62 H new ATOM 0 HD12 LEU A 3 32.728 44.262 27.339 1.00 46.62 H new ATOM 0 HD13 LEU A 3 32.732 43.466 25.970 1.00 46.62 H new ATOM 0 HD21 LEU A 3 35.393 42.395 26.145 1.00 36.96 H new ATOM 0 HD22 LEU A 3 35.023 43.140 24.797 1.00 36.96 H new ATOM 0 HD23 LEU A 3 36.346 43.526 25.578 1.00 36.96 H new ATOM 18 N THR A 4 38.170 47.229 25.445 1.00 29.77 N ATOM 19 CA THR A 4 39.309 47.719 24.590 1.00 30.15 C ATOM 20 C THR A 4 39.635 46.594 23.688 1.00 11.16 C ATOM 21 O THR A 4 39.126 45.388 23.913 1.00 27.15 O ATOM 22 CB THR A 4 40.560 48.163 25.457 1.00 37.29 C ATOM 23 OG1 THR A 4 41.056 46.973 25.911 1.00 41.52 O ATOM 24 CG2 THR A 4 40.227 49.027 26.654 1.00 31.32 C ATOM 0 H THR A 4 38.431 46.943 26.213 1.00 29.77 H new ATOM 0 HA THR A 4 39.059 48.514 24.093 1.00 30.15 H new ATOM 0 HB THR A 4 41.162 48.703 24.921 1.00 37.29 H new ATOM 0 HG1 THR A 4 41.302 47.058 26.710 1.00 41.52 H new ATOM 0 HG21 THR A 4 41.043 49.253 27.127 1.00 31.32 H new ATOM 0 HG22 THR A 4 39.791 49.840 26.355 1.00 31.32 H new ATOM 0 HG23 THR A 4 39.633 48.542 27.248 1.00 31.32 H new ATOM 25 N GLU A 5 40.404 47.008 22.679 1.00 9.57 N ATOM 26 CA GLU A 5 40.804 46.089 21.680 1.00 14.59 C ATOM 27 C GLU A 5 41.561 45.036 22.315 1.00 18.00 C ATOM 28 O GLU A 5 41.417 43.855 21.856 1.00 34.54 O ATOM 29 CB GLU A 5 41.679 46.930 20.619 1.00 32.44 C ATOM 30 CG GLU A 5 41.922 46.103 19.369 1.00 54.84 C ATOM 31 CD GLU A 5 42.504 47.082 18.271 1.00 68.91 C ATOM 32 OE1 GLU A 5 41.708 47.666 17.587 1.00 57.88 O ATOM 33 OE2 GLU A 5 43.732 47.592 18.320 1.00 56.96 O ATOM 0 H GLU A 5 40.690 47.812 22.575 1.00 9.57 H new ATOM 0 HA GLU A 5 40.061 45.670 21.218 1.00 14.59 H new ATOM 0 HB2 GLU A 5 41.217 47.751 20.387 1.00 32.44 H new ATOM 0 HB3 GLU A 5 42.526 47.184 21.017 1.00 32.44 H new ATOM 0 HG2 GLU A 5 42.545 45.382 19.551 1.00 54.84 H new ATOM 0 HG3 GLU A 5 41.097 45.695 19.062 1.00 54.84 H new ATOM 34 N SER A 6 42.219 45.407 23.425 1.00 24.72 N ATOM 35 CA SER A 6 42.951 44.469 24.147 1.00 19.16 C ATOM 36 C SER A 6 42.042 43.515 25.066 1.00 12.69 C ATOM 37 O SER A 6 42.272 42.325 25.226 1.00 21.75 O ATOM 38 CB SER A 6 44.093 45.238 24.991 1.00 19.71 C ATOM 39 OG SER A 6 43.512 45.809 26.122 1.00 52.79 O ATOM 0 H SER A 6 42.230 46.205 23.745 1.00 24.72 H new ATOM 0 HA SER A 6 43.371 43.861 23.518 1.00 19.16 H new ATOM 0 HB2 SER A 6 44.793 44.618 25.250 1.00 19.71 H new ATOM 0 HB3 SER A 6 44.509 45.924 24.445 1.00 19.71 H new ATOM 0 HG SER A 6 42.757 46.119 25.923 1.00 52.79 H new ATOM 40 N GLN A 7 41.058 44.027 25.658 1.00 8.46 N ATOM 41 CA GLN A 7 40.089 43.168 26.497 1.00 13.26 C ATOM 42 C GLN A 7 39.275 42.082 25.639 1.00 18.34 C ATOM 43 O GLN A 7 39.032 40.885 26.056 1.00 19.92 O ATOM 44 CB GLN A 7 39.100 43.998 27.167 1.00 11.75 C ATOM 45 CG GLN A 7 39.667 44.660 28.477 1.00 20.43 C ATOM 46 CD GLN A 7 38.664 45.531 29.021 1.00 30.83 C ATOM 47 OE1 GLN A 7 38.282 46.403 28.264 1.00 36.95 O ATOM 48 NE2 GLN A 7 38.593 45.577 30.342 1.00 36.69 N ATOM 0 H GLN A 7 40.865 44.865 25.636 1.00 8.46 H new ATOM 0 HA GLN A 7 40.661 42.706 27.129 1.00 13.26 H new ATOM 0 HB2 GLN A 7 38.799 44.692 26.560 1.00 11.75 H new ATOM 0 HB3 GLN A 7 38.325 43.459 27.389 1.00 11.75 H new ATOM 0 HG2 GLN A 7 39.906 43.977 29.123 1.00 20.43 H new ATOM 0 HG3 GLN A 7 40.475 45.159 28.279 1.00 20.43 H new ATOM 0 HE21 GLN A 7 38.885 44.918 30.812 1.00 36.69 H new ATOM 0 HE22 GLN A 7 38.255 46.265 30.731 1.00 36.69 H new ATOM 49 N ALA A 8 38.954 42.510 24.453 1.00 19.11 N ATOM 50 CA ALA A 8 38.161 41.624 23.486 1.00 21.75 C ATOM 51 C ALA A 8 38.950 40.562 22.929 1.00 18.41 C ATOM 52 O ALA A 8 38.357 39.380 22.736 1.00 20.79 O ATOM 53 CB ALA A 8 37.644 42.436 22.336 1.00 11.22 C ATOM 0 H ALA A 8 39.157 43.287 24.146 1.00 19.11 H new ATOM 0 HA ALA A 8 37.438 41.244 24.010 1.00 21.75 H new ATOM 0 HB1 ALA A 8 37.145 41.863 21.733 1.00 11.22 H new ATOM 0 HB2 ALA A 8 37.063 43.137 22.670 1.00 11.22 H new ATOM 0 HB3 ALA A 8 38.389 42.834 21.860 1.00 11.22 H new ATOM 54 N ALA A 9 40.264 40.944 22.810 1.00 18.54 N ATOM 55 CA ALA A 9 41.147 39.981 22.376 1.00 15.80 C ATOM 56 C ALA A 9 41.291 38.946 23.465 1.00 15.98 C ATOM 57 O ALA A 9 41.455 37.762 23.162 1.00 17.70 O ATOM 58 CB ALA A 9 42.558 40.716 22.005 1.00 19.27 C ATOM 0 H ALA A 9 40.589 41.722 22.979 1.00 18.54 H new ATOM 0 HA ALA A 9 40.834 39.525 21.579 1.00 15.80 H new ATOM 0 HB1 ALA A 9 43.196 40.054 21.696 1.00 19.27 H new ATOM 0 HB2 ALA A 9 42.408 41.371 21.305 1.00 19.27 H new ATOM 0 HB3 ALA A 9 42.909 41.160 22.793 1.00 19.27 H new ATOM 59 N LEU A 10 41.155 39.370 24.693 1.00 15.18 N ATOM 60 CA LEU A 10 41.214 38.455 25.822 1.00 17.07 C ATOM 61 C LEU A 10 39.932 37.432 25.946 1.00 13.81 C ATOM 62 O LEU A 10 40.038 36.224 26.202 1.00 13.56 O ATOM 63 CB LEU A 10 41.490 39.229 27.142 1.00 10.90 C ATOM 64 CG LEU A 10 42.946 39.996 27.208 1.00 17.43 C ATOM 65 CD1 LEU A 10 43.153 40.905 28.451 1.00 21.94 C ATOM 66 CD2 LEU A 10 44.000 39.022 27.157 1.00 29.20 C ATOM 0 H LEU A 10 41.026 40.193 24.907 1.00 15.18 H new ATOM 0 HA LEU A 10 41.964 37.865 25.649 1.00 17.07 H new ATOM 0 HB2 LEU A 10 40.788 39.886 27.269 1.00 10.90 H new ATOM 0 HB3 LEU A 10 41.434 38.607 27.884 1.00 10.90 H new ATOM 0 HG LEU A 10 42.964 40.588 26.440 1.00 17.43 H new ATOM 0 HD11 LEU A 10 44.031 41.315 28.410 1.00 21.94 H new ATOM 0 HD12 LEU A 10 42.474 41.597 28.463 1.00 21.94 H new ATOM 0 HD13 LEU A 10 43.084 40.371 29.258 1.00 21.94 H new ATOM 0 HD21 LEU A 10 44.859 39.472 27.196 1.00 29.20 H new ATOM 0 HD22 LEU A 10 43.918 38.417 27.911 1.00 29.20 H new ATOM 0 HD23 LEU A 10 43.936 38.519 26.330 1.00 29.20 H new ATOM 67 N VAL A 11 38.783 37.885 25.700 1.00 23.64 N ATOM 68 CA VAL A 11 37.508 36.945 25.678 1.00 20.21 C ATOM 69 C VAL A 11 37.503 35.925 24.542 1.00 31.94 C ATOM 70 O VAL A 11 37.128 34.691 24.766 1.00 26.51 O ATOM 71 CB VAL A 11 36.269 37.687 25.554 1.00 12.85 C ATOM 72 CG1 VAL A 11 34.927 36.704 25.402 1.00 9.18 C ATOM 73 CG2 VAL A 11 36.186 38.658 26.728 1.00 8.19 C ATOM 0 H VAL A 11 38.618 38.712 25.532 1.00 23.64 H new ATOM 0 HA VAL A 11 37.564 36.488 26.532 1.00 20.21 H new ATOM 0 HB VAL A 11 36.272 38.191 24.725 1.00 12.85 H new ATOM 0 HG11 VAL A 11 34.131 37.253 25.323 1.00 9.18 H new ATOM 0 HG12 VAL A 11 35.018 36.152 24.610 1.00 9.18 H new ATOM 0 HG13 VAL A 11 34.851 36.136 26.185 1.00 9.18 H new ATOM 0 HG21 VAL A 11 35.363 39.168 26.668 1.00 8.19 H new ATOM 0 HG22 VAL A 11 36.198 38.161 27.561 1.00 8.19 H new ATOM 0 HG23 VAL A 11 36.944 39.263 26.702 1.00 8.19 H new ATOM 74 N LYS A 12 38.006 36.407 23.390 1.00 26.13 N ATOM 75 CA LYS A 12 38.017 35.517 22.227 1.00 4.33 C ATOM 76 C LYS A 12 38.877 34.404 22.426 1.00 12.48 C ATOM 77 O LYS A 12 38.422 33.203 22.121 1.00 16.94 O ATOM 78 CB LYS A 12 38.459 36.309 20.943 1.00 7.96 C ATOM 79 CG LYS A 12 38.383 35.348 19.738 1.00 14.28 C ATOM 80 CD LYS A 12 38.533 36.095 18.392 1.00 38.41 C ATOM 81 CE LYS A 12 38.559 35.084 17.233 1.00 41.61 C ATOM 82 NZ LYS A 12 37.403 33.993 17.349 0.00 0.00 N ATOM 0 H LYS A 12 38.325 37.196 23.269 1.00 26.13 H new ATOM 0 HA LYS A 12 37.115 35.181 22.107 1.00 4.33 H new ATOM 0 HB2 LYS A 12 37.881 37.075 20.802 1.00 7.96 H new ATOM 0 HB3 LYS A 12 39.361 36.649 21.049 1.00 7.96 H new ATOM 0 HG2 LYS A 12 39.080 34.678 19.815 1.00 14.28 H new ATOM 0 HG3 LYS A 12 37.535 34.878 19.753 1.00 14.28 H new ATOM 0 HD2 LYS A 12 37.797 36.716 18.274 1.00 38.41 H new ATOM 0 HD3 LYS A 12 39.349 36.619 18.393 1.00 38.41 H new ATOM 0 HE2 LYS A 12 38.469 35.558 16.392 1.00 41.61 H new ATOM 0 HE3 LYS A 12 39.420 34.638 17.216 1.00 41.61 H new ATOM 0 HZ1 LYS A 12 37.455 33.431 16.661 0.00 0.00 H new ATOM 0 HZ2 LYS A 12 37.497 33.540 18.109 0.00 0.00 H new ATOM 0 HZ3 LYS A 12 36.610 34.398 17.341 0.00 0.00 H new ATOM 83 N SER A 13 40.065 34.813 22.947 1.00 10.25 N ATOM 84 CA SER A 13 41.034 33.887 23.190 1.00 13.22 C ATOM 85 C SER A 13 40.518 32.827 24.239 1.00 22.67 C ATOM 86 O SER A 13 40.704 31.615 24.128 1.00 15.86 O ATOM 87 CB SER A 13 42.365 34.716 23.688 1.00 7.79 C ATOM 88 OG SER A 13 43.313 33.817 23.964 1.00 50.17 O ATOM 0 H SER A 13 40.268 35.625 23.143 1.00 10.25 H new ATOM 0 HA SER A 13 41.264 33.374 22.399 1.00 13.22 H new ATOM 0 HB2 SER A 13 42.665 35.328 22.998 1.00 7.79 H new ATOM 0 HB3 SER A 13 42.162 35.250 24.472 1.00 7.79 H new ATOM 0 HG SER A 13 44.008 34.212 24.221 1.00 50.17 H new ATOM 89 N SER A 14 39.916 33.295 25.258 1.00 25.83 N ATOM 90 CA SER A 14 39.395 32.393 26.348 1.00 14.03 C ATOM 91 C SER A 14 38.092 31.481 25.963 1.00 8.32 C ATOM 92 O SER A 14 37.889 30.268 26.337 1.00 15.65 O ATOM 93 CB SER A 14 39.184 33.207 27.610 1.00 16.79 C ATOM 94 OG SER A 14 38.253 34.116 27.323 1.00 26.38 O ATOM 0 H SER A 14 39.771 34.133 25.389 1.00 25.83 H new ATOM 0 HA SER A 14 40.080 31.722 26.494 1.00 14.03 H new ATOM 0 HB2 SER A 14 38.898 32.640 28.343 1.00 16.79 H new ATOM 0 HB3 SER A 14 40.010 33.634 27.887 1.00 16.79 H new ATOM 0 HG SER A 14 38.018 34.033 26.521 1.00 26.38 H new ATOM 95 N TRP A 15 37.354 31.983 25.065 1.00 12.98 N ATOM 96 CA TRP A 15 36.194 31.120 24.472 1.00 5.74 C ATOM 97 C TRP A 15 36.644 30.036 23.573 1.00 27.01 C ATOM 98 O TRP A 15 36.032 28.841 23.594 1.00 14.98 O ATOM 99 CB TRP A 15 35.258 31.965 23.723 1.00 13.76 C ATOM 100 CG TRP A 15 34.051 31.024 23.120 1.00 39.57 C ATOM 101 CD1 TRP A 15 32.937 30.352 23.720 1.00 24.07 C ATOM 102 CD2 TRP A 15 33.977 30.596 21.793 1.00 22.81 C ATOM 103 NE1 TRP A 15 32.183 29.502 22.783 1.00 26.75 N ATOM 104 CE2 TRP A 15 32.799 29.642 21.665 1.00 37.79 C ATOM 105 CE3 TRP A 15 34.861 30.929 20.740 1.00 20.81 C ATOM 106 CZ2 TRP A 15 32.447 28.984 20.473 1.00 29.19 C ATOM 107 CZ3 TRP A 15 34.511 30.259 19.544 1.00 43.04 C ATOM 108 CH2 TRP A 15 33.340 29.317 19.414 1.00 54.81 C ATOM 0 H TRP A 15 37.433 32.776 24.741 1.00 12.98 H new ATOM 0 HA TRP A 15 35.769 30.709 25.241 1.00 5.74 H new ATOM 0 HB2 TRP A 15 34.890 32.652 24.301 1.00 13.76 H new ATOM 0 HB3 TRP A 15 35.721 32.419 23.002 1.00 13.76 H new ATOM 0 HD1 TRP A 15 32.711 30.444 24.617 1.00 24.07 H new ATOM 0 HE1 TRP A 15 31.489 29.022 22.947 1.00 26.75 H new ATOM 0 HE3 TRP A 15 35.580 31.513 20.823 1.00 20.81 H new ATOM 0 HZ2 TRP A 15 31.724 28.406 20.387 1.00 29.19 H new ATOM 0 HZ3 TRP A 15 35.036 30.409 18.791 1.00 43.04 H new ATOM 0 HH2 TRP A 15 33.190 28.926 18.584 1.00 54.81 H new ATOM 109 N GLU A 16 37.767 30.396 22.902 1.00 29.51 N ATOM 110 CA GLU A 16 38.289 29.388 22.069 1.00 24.11 C ATOM 111 C GLU A 16 38.793 28.281 22.888 1.00 18.78 C ATOM 112 O GLU A 16 38.440 27.066 22.554 1.00 23.52 O ATOM 113 CB GLU A 16 39.365 30.034 21.067 1.00 19.63 C ATOM 114 CG GLU A 16 38.731 30.871 20.017 1.00 25.18 C ATOM 115 CD GLU A 16 39.832 31.626 19.127 1.00 47.62 C ATOM 116 OE1 GLU A 16 40.981 32.026 19.618 1.00 47.32 O ATOM 117 OE2 GLU A 16 39.478 32.221 18.112 1.00 42.85 O ATOM 0 H GLU A 16 38.180 31.150 22.931 1.00 29.51 H new ATOM 0 HA GLU A 16 37.601 28.999 21.506 1.00 24.11 H new ATOM 0 HB2 GLU A 16 39.991 30.575 21.574 1.00 19.63 H new ATOM 0 HB3 GLU A 16 39.877 29.326 20.647 1.00 19.63 H new ATOM 0 HG2 GLU A 16 38.178 30.314 19.447 1.00 25.18 H new ATOM 0 HG3 GLU A 16 38.145 31.523 20.431 1.00 25.18 H new ATOM 118 N GLU A 17 39.400 28.663 24.020 1.00 10.07 N ATOM 119 CA GLU A 17 39.759 27.629 24.938 1.00 9.74 C ATOM 120 C GLU A 17 38.514 26.738 25.501 1.00 21.19 C ATOM 121 O GLU A 17 38.555 25.507 25.708 1.00 16.07 O ATOM 122 CB GLU A 17 40.639 28.227 26.118 1.00 4.43 C ATOM 123 CG GLU A 17 42.121 28.719 25.747 1.00 28.34 C ATOM 124 CD GLU A 17 42.885 29.040 27.056 1.00 48.66 C ATOM 125 OE1 GLU A 17 43.305 28.088 27.671 1.00 42.89 O ATOM 126 OE2 GLU A 17 42.591 30.009 27.737 1.00 48.81 O ATOM 0 H GLU A 17 39.595 29.469 24.249 1.00 10.07 H new ATOM 0 HA GLU A 17 40.287 26.995 24.428 1.00 9.74 H new ATOM 0 HB2 GLU A 17 40.159 28.978 26.501 1.00 4.43 H new ATOM 0 HB3 GLU A 17 40.710 27.553 26.812 1.00 4.43 H new ATOM 0 HG2 GLU A 17 42.587 28.031 25.246 1.00 28.34 H new ATOM 0 HG3 GLU A 17 42.082 29.505 25.180 1.00 28.34 H new ATOM 127 N PHE A 18 37.440 27.326 25.720 1.00 24.96 N ATOM 128 CA PHE A 18 36.175 26.546 26.227 1.00 14.88 C ATOM 129 C PHE A 18 35.602 25.463 25.218 1.00 15.67 C ATOM 130 O PHE A 18 35.245 24.248 25.547 1.00 22.01 O ATOM 131 CB PHE A 18 35.122 27.505 26.479 1.00 14.61 C ATOM 132 CG PHE A 18 33.723 26.752 26.896 1.00 17.07 C ATOM 133 CD1 PHE A 18 33.488 26.356 28.204 1.00 27.39 C ATOM 134 CD2 PHE A 18 32.705 26.472 25.961 1.00 19.28 C ATOM 135 CE1 PHE A 18 32.235 25.663 28.581 1.00 9.41 C ATOM 136 CE2 PHE A 18 31.456 25.776 26.329 1.00 6.94 C ATOM 137 CZ PHE A 18 31.221 25.368 27.642 1.00 5.46 C ATOM 0 H PHE A 18 37.321 28.171 25.612 1.00 24.96 H new ATOM 0 HA PHE A 18 36.461 26.064 27.019 1.00 14.88 H new ATOM 0 HB2 PHE A 18 35.393 28.107 27.189 1.00 14.61 H new ATOM 0 HB3 PHE A 18 34.978 28.047 25.687 1.00 14.61 H new ATOM 0 HD1 PHE A 18 34.129 26.529 28.856 1.00 27.39 H new ATOM 0 HD2 PHE A 18 32.825 26.736 25.077 1.00 19.28 H new ATOM 0 HE1 PHE A 18 32.111 25.413 29.468 1.00 9.41 H new ATOM 0 HE2 PHE A 18 30.816 25.607 25.675 1.00 6.94 H new ATOM 0 HZ PHE A 18 30.440 24.926 27.886 1.00 5.46 H new ATOM 138 N ASN A 19 35.512 25.915 24.012 1.00 13.20 N ATOM 139 CA ASN A 19 34.860 25.061 22.945 1.00 13.78 C ATOM 140 C ASN A 19 35.654 23.929 22.569 1.00 9.80 C ATOM 141 O ASN A 19 35.114 22.931 21.894 1.00 23.42 O ATOM 142 CB ASN A 19 34.710 25.968 21.728 1.00 14.88 C ATOM 143 CG ASN A 19 33.544 25.300 20.867 1.00 34.25 C ATOM 144 OD1 ASN A 19 32.373 25.143 21.355 1.00 45.11 O ATOM 145 ND2 ASN A 19 33.792 25.387 19.579 1.00 40.06 N ATOM 0 H ASN A 19 35.798 26.682 23.749 1.00 13.20 H new ATOM 0 HA ASN A 19 34.020 24.712 23.282 1.00 13.78 H new ATOM 0 HB2 ASN A 19 34.481 26.874 21.989 1.00 14.88 H new ATOM 0 HB3 ASN A 19 35.536 26.019 21.223 1.00 14.88 H new ATOM 0 HD21 ASN A 19 33.147 25.338 19.013 1.00 40.06 H new ATOM 0 HD22 ASN A 19 34.600 25.493 19.303 1.00 40.06 H new ATOM 146 N ALA A 20 36.909 24.101 23.022 1.00 15.38 N ATOM 147 CA ALA A 20 37.856 23.162 22.725 1.00 11.81 C ATOM 148 C ALA A 20 37.497 21.831 23.462 1.00 23.14 C ATOM 149 O ALA A 20 38.009 20.813 23.113 1.00 29.09 O ATOM 150 CB ALA A 20 39.319 23.772 23.083 1.00 28.96 C ATOM 0 H ALA A 20 37.180 24.766 23.495 1.00 15.38 H new ATOM 0 HA ALA A 20 37.879 22.943 21.780 1.00 11.81 H new ATOM 0 HB1 ALA A 20 40.003 23.116 22.877 1.00 28.96 H new ATOM 0 HB2 ALA A 20 39.473 24.574 22.559 1.00 28.96 H new ATOM 0 HB3 ALA A 20 39.356 23.992 24.027 1.00 28.96 H new ATOM 151 N ASN A 21 36.638 21.849 24.443 1.00 16.14 N ATOM 152 CA ASN A 21 36.168 20.612 25.197 1.00 9.89 C ATOM 153 C ASN A 21 34.762 20.615 25.773 1.00 7.34 C ATOM 154 O ASN A 21 34.591 20.618 27.017 1.00 17.95 O ATOM 155 CB ASN A 21 37.172 20.412 26.318 1.00 11.15 C ATOM 156 CG ASN A 21 36.939 18.945 26.783 1.00 17.86 C ATOM 157 OD1 ASN A 21 37.835 18.496 27.457 1.00 33.44 O ATOM 158 ND2 ASN A 21 35.882 18.184 26.259 1.00 16.41 N ATOM 0 H ASN A 21 36.278 22.576 24.729 1.00 16.14 H new ATOM 0 HA ASN A 21 36.121 19.896 24.544 1.00 9.89 H new ATOM 0 HB2 ASN A 21 38.081 20.545 26.007 1.00 11.15 H new ATOM 0 HB3 ASN A 21 37.025 21.041 27.042 1.00 11.15 H new ATOM 0 HD21 ASN A 21 35.844 17.339 26.412 1.00 16.41 H new ATOM 0 HD22 ASN A 21 35.273 18.563 25.785 1.00 16.41 H new ATOM 159 N ILE A 22 33.830 20.698 24.867 1.00 13.91 N ATOM 160 CA ILE A 22 32.393 20.651 25.188 1.00 3.00 C ATOM 161 C ILE A 22 31.846 19.579 26.214 1.00 8.32 C ATOM 162 O ILE A 22 31.310 19.973 27.246 1.00 15.43 O ATOM 163 CB ILE A 22 31.496 20.591 23.927 1.00 11.17 C ATOM 164 CG1 ILE A 22 31.716 21.965 23.207 1.00 14.59 C ATOM 165 CG2 ILE A 22 29.983 20.136 24.231 1.00 20.13 C ATOM 166 CD1 ILE A 22 31.326 23.101 24.103 1.00 8.14 C ATOM 0 H ILE A 22 33.995 20.785 24.027 1.00 13.91 H new ATOM 0 HA ILE A 22 32.331 21.496 25.661 1.00 3.00 H new ATOM 0 HB ILE A 22 31.744 19.880 23.316 1.00 11.17 H new ATOM 0 HG12 ILE A 22 32.647 22.055 22.949 1.00 14.59 H new ATOM 0 HG13 ILE A 22 31.192 21.996 22.391 1.00 14.59 H new ATOM 0 HG21 ILE A 22 29.477 20.119 23.403 1.00 20.13 H new ATOM 0 HG22 ILE A 22 29.985 19.250 24.626 1.00 20.13 H new ATOM 0 HG23 ILE A 22 29.574 20.764 24.847 1.00 20.13 H new ATOM 0 HD11 ILE A 22 31.469 23.942 23.641 1.00 8.14 H new ATOM 0 HD12 ILE A 22 30.389 23.019 24.341 1.00 8.14 H new ATOM 0 HD13 ILE A 22 31.867 23.079 24.908 1.00 8.14 H new ATOM 167 N PRO A 23 32.031 18.304 26.049 1.00 9.90 N ATOM 168 CA PRO A 23 31.405 17.266 26.982 1.00 9.09 C ATOM 169 C PRO A 23 31.935 17.488 28.397 1.00 12.94 C ATOM 170 O PRO A 23 31.107 17.407 29.349 1.00 25.96 O ATOM 171 CB PRO A 23 31.624 15.867 26.463 1.00 13.13 C ATOM 172 CG PRO A 23 32.207 16.099 25.051 1.00 12.96 C ATOM 173 CD PRO A 23 32.483 17.643 24.834 1.00 14.28 C ATOM 0 HA PRO A 23 30.442 17.377 27.011 1.00 9.09 H new ATOM 0 HB2 PRO A 23 32.237 15.368 27.026 1.00 13.13 H new ATOM 0 HB3 PRO A 23 30.795 15.364 26.430 1.00 13.13 H new ATOM 0 HG2 PRO A 23 33.030 15.596 24.945 1.00 12.96 H new ATOM 0 HG3 PRO A 23 31.588 15.775 24.379 1.00 12.96 H new ATOM 0 HD2 PRO A 23 33.426 17.809 24.678 1.00 14.28 H new ATOM 0 HD3 PRO A 23 32.005 17.976 24.059 1.00 14.28 H new ATOM 174 N LYS A 24 33.224 17.963 28.510 1.00 9.74 N ATOM 175 CA LYS A 24 33.781 18.273 29.844 1.00 12.18 C ATOM 176 C LYS A 24 33.328 19.523 30.465 1.00 23.54 C ATOM 177 O LYS A 24 32.815 19.451 31.618 1.00 14.85 O ATOM 178 CB LYS A 24 35.334 18.379 29.859 1.00 12.31 C ATOM 179 CG LYS A 24 35.932 18.667 31.270 1.00 23.50 C ATOM 180 CD LYS A 24 37.474 18.663 31.319 1.00 29.45 C ATOM 181 CE LYS A 24 38.261 19.712 30.374 0.00 0.00 C ATOM 182 NZ LYS A 24 39.713 19.632 30.417 0.00 0.00 N ATOM 0 H LYS A 24 33.756 18.102 27.849 1.00 9.74 H new ATOM 0 HA LYS A 24 33.447 17.513 30.346 1.00 12.18 H new ATOM 0 HB2 LYS A 24 35.709 17.551 29.521 1.00 12.31 H new ATOM 0 HB3 LYS A 24 35.608 19.084 29.251 1.00 12.31 H new ATOM 0 HG2 LYS A 24 35.611 19.530 31.576 1.00 23.50 H new ATOM 0 HG3 LYS A 24 35.597 18.003 31.893 1.00 23.50 H new ATOM 0 HD2 LYS A 24 37.743 18.828 32.236 1.00 29.45 H new ATOM 0 HD3 LYS A 24 37.777 17.770 31.090 1.00 29.45 H new ATOM 0 HE2 LYS A 24 37.973 19.576 29.458 0.00 0.00 H new ATOM 0 HE3 LYS A 24 37.995 20.611 30.625 0.00 0.00 H new ATOM 0 HZ1 LYS A 24 40.060 20.242 29.870 0.00 0.00 H new ATOM 0 HZ2 LYS A 24 39.994 19.784 31.247 0.00 0.00 H new ATOM 0 HZ3 LYS A 24 39.974 18.821 30.160 0.00 0.00 H new ATOM 183 N HIS A 25 33.461 20.603 29.696 1.00 8.94 N ATOM 184 CA HIS A 25 33.197 21.920 30.200 1.00 17.40 C ATOM 185 C HIS A 25 31.715 22.039 30.475 1.00 15.35 C ATOM 186 O HIS A 25 31.404 22.678 31.484 1.00 12.26 O ATOM 187 CB HIS A 25 33.860 23.058 29.280 1.00 3.00 C ATOM 188 CG HIS A 25 35.405 23.089 29.230 1.00 19.51 C ATOM 189 ND1 HIS A 25 36.135 22.712 30.334 1.00 22.72 N ATOM 190 CD2 HIS A 25 36.267 23.423 28.218 1.00 12.42 C ATOM 191 CE1 HIS A 25 37.505 22.824 29.959 1.00 12.18 C ATOM 192 NE2 HIS A 25 37.577 23.267 28.619 1.00 17.52 N ATOM 0 H HIS A 25 33.707 20.580 28.872 1.00 8.94 H new ATOM 0 HA HIS A 25 33.637 22.070 31.051 1.00 17.40 H new ATOM 0 HB2 HIS A 25 33.529 22.948 28.375 1.00 3.00 H new ATOM 0 HB3 HIS A 25 33.549 23.922 29.593 1.00 3.00 H new ATOM 0 HD2 HIS A 25 36.004 23.715 27.375 1.00 12.42 H new ATOM 0 HE1 HIS A 25 38.233 22.636 30.507 1.00 12.18 H new ATOM 0 HE2 HIS A 25 38.286 23.409 28.153 1.00 17.52 H new ATOM 193 N THR A 26 30.822 21.409 29.641 1.00 9.43 N ATOM 194 CA THR A 26 29.368 21.398 29.848 1.00 11.23 C ATOM 195 C THR A 26 28.837 20.534 31.043 1.00 10.07 C ATOM 196 O THR A 26 27.917 20.874 31.762 1.00 6.72 O ATOM 197 CB THR A 26 28.542 20.912 28.594 1.00 26.80 C ATOM 198 OG1 THR A 26 28.711 19.551 28.274 1.00 19.61 O ATOM 199 CG2 THR A 26 28.918 21.853 27.391 1.00 14.62 C ATOM 0 H THR A 26 31.068 20.978 28.939 1.00 9.43 H new ATOM 0 HA THR A 26 29.227 22.338 30.039 1.00 11.23 H new ATOM 0 HB THR A 26 27.598 20.976 28.805 1.00 26.80 H new ATOM 0 HG1 THR A 26 29.469 19.436 27.930 1.00 19.61 H new ATOM 0 HG21 THR A 26 28.426 21.581 26.601 1.00 14.62 H new ATOM 0 HG22 THR A 26 28.691 22.769 27.613 1.00 14.62 H new ATOM 0 HG23 THR A 26 29.870 21.790 27.216 1.00 14.62 H new ATOM 200 N HIS A 27 29.434 19.474 31.267 1.00 11.43 N ATOM 201 CA HIS A 27 29.056 18.610 32.424 1.00 7.99 C ATOM 202 C HIS A 27 29.483 19.386 33.704 1.00 16.32 C ATOM 203 O HIS A 27 28.658 19.418 34.648 1.00 13.85 O ATOM 204 CB HIS A 27 29.753 17.340 32.326 1.00 10.17 C ATOM 205 CG HIS A 27 29.672 16.512 33.632 1.00 6.02 C ATOM 206 ND1 HIS A 27 28.470 15.676 34.044 1.00 23.51 N ATOM 207 CD2 HIS A 27 30.647 16.435 34.544 1.00 13.22 C ATOM 208 CE1 HIS A 27 28.755 15.083 35.274 1.00 15.94 C ATOM 209 NE2 HIS A 27 30.121 15.558 35.578 1.00 24.45 N ATOM 0 H HIS A 27 30.083 19.173 30.790 1.00 11.43 H new ATOM 0 HA HIS A 27 28.105 18.419 32.443 1.00 7.99 H new ATOM 0 HB2 HIS A 27 29.376 16.824 31.596 1.00 10.17 H new ATOM 0 HB3 HIS A 27 30.684 17.502 32.107 1.00 10.17 H new ATOM 0 HD2 HIS A 27 31.479 16.851 34.522 1.00 13.22 H new ATOM 0 HE1 HIS A 27 28.214 14.522 35.782 1.00 15.94 H new ATOM 0 HE2 HIS A 27 30.556 15.340 36.287 1.00 24.45 H new ATOM 210 N ARG A 28 30.697 20.107 33.646 1.00 14.50 N ATOM 211 CA ARG A 28 31.285 20.925 34.770 1.00 9.42 C ATOM 212 C ARG A 28 30.497 22.075 35.100 1.00 13.00 C ATOM 213 O ARG A 28 30.262 22.327 36.301 1.00 17.87 O ATOM 214 CB ARG A 28 32.796 21.457 34.520 1.00 16.45 C ATOM 215 CG ARG A 28 33.485 22.213 35.742 1.00 27.29 C ATOM 216 CD ARG A 28 33.461 21.313 36.999 1.00 31.13 C ATOM 217 NE ARG A 28 34.082 22.133 38.121 1.00 53.71 N ATOM 218 CZ ARG A 28 33.907 21.840 39.403 1.00 56.36 C ATOM 219 NH1 ARG A 28 33.151 20.715 39.796 1.00 53.36 N ATOM 220 NH2 ARG A 28 34.525 22.682 40.299 1.00 50.74 N ATOM 0 H ARG A 28 31.186 20.119 32.939 1.00 14.50 H new ATOM 0 HA ARG A 28 31.293 20.284 35.498 1.00 9.42 H new ATOM 0 HB2 ARG A 28 33.351 20.699 34.279 1.00 16.45 H new ATOM 0 HB3 ARG A 28 32.786 22.056 33.757 1.00 16.45 H new ATOM 0 HG2 ARG A 28 34.400 22.442 35.516 1.00 27.29 H new ATOM 0 HG3 ARG A 28 33.020 23.045 35.921 1.00 27.29 H new ATOM 0 HD2 ARG A 28 32.553 21.053 37.222 1.00 31.13 H new ATOM 0 HD3 ARG A 28 33.962 20.496 36.849 1.00 31.13 H new ATOM 0 HE ARG A 28 34.566 22.814 37.916 1.00 53.71 H new ATOM 0 HH11 ARG A 28 32.795 20.207 39.201 1.00 53.36 H new ATOM 0 HH12 ARG A 28 33.046 20.538 40.631 1.00 53.36 H new ATOM 0 HH21 ARG A 28 34.989 23.348 40.014 1.00 50.74 H new ATOM 0 HH22 ARG A 28 34.447 22.542 41.144 1.00 50.74 H new ATOM 221 N PHE A 29 29.999 22.638 34.055 1.00 12.86 N ATOM 222 CA PHE A 29 29.136 23.703 34.163 1.00 9.21 C ATOM 223 C PHE A 29 27.853 23.246 34.970 1.00 19.87 C ATOM 224 O PHE A 29 27.552 23.957 35.930 1.00 19.07 O ATOM 225 CB PHE A 29 28.775 24.169 32.754 1.00 5.74 C ATOM 226 CG PHE A 29 27.638 25.051 32.743 1.00 3.11 C ATOM 227 CD1 PHE A 29 27.866 26.361 33.215 1.00 5.21 C ATOM 228 CD2 PHE A 29 26.389 24.531 32.228 1.00 3.00 C ATOM 229 CE1 PHE A 29 26.848 27.166 33.168 1.00 8.31 C ATOM 230 CE2 PHE A 29 25.363 25.326 32.180 1.00 19.77 C ATOM 231 CZ PHE A 29 25.595 26.649 32.648 1.00 7.65 C ATOM 0 H PHE A 29 30.167 22.394 33.248 1.00 12.86 H new ATOM 0 HA PHE A 29 29.544 24.441 34.642 1.00 9.21 H new ATOM 0 HB2 PHE A 29 29.537 24.623 32.361 1.00 5.74 H new ATOM 0 HB3 PHE A 29 28.587 23.396 32.199 1.00 5.74 H new ATOM 0 HD1 PHE A 29 28.694 26.631 33.540 1.00 5.21 H new ATOM 0 HD2 PHE A 29 26.323 23.650 31.939 1.00 3.00 H new ATOM 0 HE1 PHE A 29 26.919 28.047 33.459 1.00 8.31 H new ATOM 0 HE2 PHE A 29 24.534 25.049 31.862 1.00 19.77 H new ATOM 0 HZ PHE A 29 24.876 27.238 32.618 1.00 7.65 H new ATOM 232 N PHE A 30 27.160 22.069 34.630 1.00 18.28 N ATOM 233 CA PHE A 30 25.911 21.516 35.341 1.00 13.22 C ATOM 234 C PHE A 30 26.139 21.142 36.788 1.00 8.94 C ATOM 235 O PHE A 30 25.325 21.422 37.663 1.00 12.21 O ATOM 236 CB PHE A 30 25.089 20.320 34.594 1.00 7.88 C ATOM 237 CG PHE A 30 24.123 20.866 33.613 1.00 15.91 C ATOM 238 CD1 PHE A 30 24.418 20.961 32.270 1.00 17.58 C ATOM 239 CD2 PHE A 30 22.991 21.328 34.106 1.00 22.31 C ATOM 240 CE1 PHE A 30 23.566 21.512 31.404 1.00 23.96 C ATOM 241 CE2 PHE A 30 22.136 21.882 33.252 1.00 17.17 C ATOM 242 CZ PHE A 30 22.426 21.970 31.899 1.00 37.08 C ATOM 0 H PHE A 30 27.410 21.571 33.975 1.00 18.28 H new ATOM 0 HA PHE A 30 25.336 22.296 35.294 1.00 13.22 H new ATOM 0 HB2 PHE A 30 25.712 19.728 34.144 1.00 7.88 H new ATOM 0 HB3 PHE A 30 24.618 19.787 35.253 1.00 7.88 H new ATOM 0 HD1 PHE A 30 25.231 20.633 31.960 1.00 17.58 H new ATOM 0 HD2 PHE A 30 22.798 21.269 35.014 1.00 22.31 H new ATOM 0 HE1 PHE A 30 23.763 21.572 30.497 1.00 23.96 H new ATOM 0 HE2 PHE A 30 21.328 22.217 33.568 1.00 17.17 H new ATOM 0 HZ PHE A 30 21.806 22.360 31.326 1.00 37.08 H new ATOM 243 N ILE A 31 27.269 20.654 37.034 1.00 12.20 N ATOM 244 CA ILE A 31 27.643 20.348 38.404 1.00 7.90 C ATOM 245 C ILE A 31 27.815 21.633 39.232 1.00 3.00 C ATOM 246 O ILE A 31 27.342 21.616 40.392 1.00 9.54 O ATOM 247 CB ILE A 31 28.981 19.761 38.454 1.00 9.46 C ATOM 248 CG1 ILE A 31 28.868 18.395 37.728 1.00 20.51 C ATOM 249 CG2 ILE A 31 29.466 19.628 39.903 1.00 3.00 C ATOM 250 CD1 ILE A 31 27.887 17.301 38.458 1.00 31.40 C ATOM 0 H ILE A 31 27.867 20.477 36.442 1.00 12.20 H new ATOM 0 HA ILE A 31 26.945 19.764 38.740 1.00 7.90 H new ATOM 0 HB ILE A 31 29.644 20.319 38.018 1.00 9.46 H new ATOM 0 HG12 ILE A 31 28.544 18.549 36.827 1.00 20.51 H new ATOM 0 HG13 ILE A 31 29.755 18.012 37.649 1.00 20.51 H new ATOM 0 HG21 ILE A 31 30.354 19.237 39.913 1.00 3.00 H new ATOM 0 HG22 ILE A 31 29.495 20.505 40.317 1.00 3.00 H new ATOM 0 HG23 ILE A 31 28.857 19.058 40.397 1.00 3.00 H new ATOM 0 HD11 ILE A 31 27.875 16.481 37.940 1.00 31.40 H new ATOM 0 HD12 ILE A 31 28.218 17.114 39.351 1.00 31.40 H new ATOM 0 HD13 ILE A 31 26.988 17.660 38.515 1.00 31.40 H new ATOM 251 N LEU A 32 28.381 22.724 38.608 1.00 3.00 N ATOM 252 CA LEU A 32 28.628 24.025 39.304 1.00 3.00 C ATOM 253 C LEU A 32 27.328 24.599 39.557 1.00 7.91 C ATOM 254 O LEU A 32 27.170 25.161 40.652 1.00 21.16 O ATOM 255 CB LEU A 32 29.593 25.049 38.480 1.00 7.16 C ATOM 256 CG LEU A 32 31.036 24.683 38.447 1.00 13.37 C ATOM 257 CD1 LEU A 32 31.939 25.561 37.441 1.00 19.71 C ATOM 258 CD2 LEU A 32 31.681 24.776 39.846 1.00 21.08 C ATOM 0 H LEU A 32 28.625 22.721 37.783 1.00 3.00 H new ATOM 0 HA LEU A 32 29.118 23.864 40.126 1.00 3.00 H new ATOM 0 HB2 LEU A 32 29.270 25.110 37.567 1.00 7.16 H new ATOM 0 HB3 LEU A 32 29.508 25.933 38.870 1.00 7.16 H new ATOM 0 HG LEU A 32 31.026 23.770 38.120 1.00 13.37 H new ATOM 0 HD11 LEU A 32 32.859 25.257 37.483 1.00 19.71 H new ATOM 0 HD12 LEU A 32 31.606 25.460 36.535 1.00 19.71 H new ATOM 0 HD13 LEU A 32 31.896 26.495 37.699 1.00 19.71 H new ATOM 0 HD21 LEU A 32 32.618 24.532 39.787 1.00 21.08 H new ATOM 0 HD22 LEU A 32 31.604 25.684 40.178 1.00 21.08 H new ATOM 0 HD23 LEU A 32 31.227 24.171 40.453 1.00 21.08 H new ATOM 259 N VAL A 33 26.420 24.420 38.602 1.00 13.36 N ATOM 260 CA VAL A 33 25.114 24.889 38.791 1.00 11.45 C ATOM 261 C VAL A 33 24.391 24.211 40.009 1.00 3.13 C ATOM 262 O VAL A 33 23.861 24.903 40.851 1.00 23.65 O ATOM 263 CB VAL A 33 24.203 24.586 37.551 1.00 9.24 C ATOM 264 CG1 VAL A 33 22.735 24.785 37.842 1.00 10.96 C ATOM 265 CG2 VAL A 33 24.765 25.407 36.314 1.00 7.39 C ATOM 0 H VAL A 33 26.566 24.028 37.850 1.00 13.36 H new ATOM 0 HA VAL A 33 25.222 25.841 38.940 1.00 11.45 H new ATOM 0 HB VAL A 33 24.245 23.644 37.323 1.00 9.24 H new ATOM 0 HG11 VAL A 33 22.217 24.586 37.046 1.00 10.96 H new ATOM 0 HG12 VAL A 33 22.464 24.192 38.561 1.00 10.96 H new ATOM 0 HG13 VAL A 33 22.579 25.705 38.106 1.00 10.96 H new ATOM 0 HG21 VAL A 33 24.215 25.234 35.534 1.00 7.39 H new ATOM 0 HG22 VAL A 33 24.746 26.355 36.519 1.00 7.39 H new ATOM 0 HG23 VAL A 33 25.678 25.134 36.132 1.00 7.39 H new ATOM 266 N LEU A 34 24.440 22.905 40.095 1.00 18.22 N ATOM 267 CA LEU A 34 23.723 22.025 41.127 1.00 11.61 C ATOM 268 C LEU A 34 24.392 22.261 42.487 1.00 15.88 C ATOM 269 O LEU A 34 23.652 22.233 43.503 1.00 18.01 O ATOM 270 CB LEU A 34 23.611 20.523 40.724 1.00 7.55 C ATOM 271 CG LEU A 34 22.277 19.965 39.994 1.00 9.22 C ATOM 272 CD1 LEU A 34 21.657 21.010 39.165 1.00 11.30 C ATOM 273 CD2 LEU A 34 22.387 18.683 39.173 1.00 8.55 C ATOM 0 H LEU A 34 24.906 22.438 39.543 1.00 18.22 H new ATOM 0 HA LEU A 34 22.791 22.289 41.177 1.00 11.61 H new ATOM 0 HB2 LEU A 34 24.360 20.327 40.140 1.00 7.55 H new ATOM 0 HB3 LEU A 34 23.736 20.000 41.531 1.00 7.55 H new ATOM 0 HG LEU A 34 21.725 19.715 40.751 1.00 9.22 H new ATOM 0 HD11 LEU A 34 20.862 20.655 38.738 1.00 11.30 H new ATOM 0 HD12 LEU A 34 21.414 21.765 39.724 1.00 11.30 H new ATOM 0 HD13 LEU A 34 22.286 21.300 38.486 1.00 11.30 H new ATOM 0 HD21 LEU A 34 21.521 18.465 38.795 1.00 8.55 H new ATOM 0 HD22 LEU A 34 23.029 18.811 38.457 1.00 8.55 H new ATOM 0 HD23 LEU A 34 22.682 17.957 39.745 1.00 8.55 H new ATOM 274 N GLU A 35 25.711 22.696 42.471 1.00 13.08 N ATOM 275 CA GLU A 35 26.450 23.134 43.703 1.00 7.15 C ATOM 276 C GLU A 35 26.055 24.433 44.259 1.00 10.10 C ATOM 277 O GLU A 35 26.134 24.651 45.494 1.00 17.40 O ATOM 278 CB GLU A 35 27.986 23.358 43.468 1.00 28.62 C ATOM 279 CG GLU A 35 28.502 22.008 43.219 1.00 55.68 C ATOM 280 CD GLU A 35 30.039 22.234 43.111 1.00 50.12 C ATOM 281 OE1 GLU A 35 30.626 21.210 43.093 1.00 46.79 O ATOM 282 OE2 GLU A 35 30.695 23.347 43.482 1.00 44.92 O ATOM 0 H GLU A 35 26.182 22.740 41.753 1.00 13.08 H new ATOM 0 HA GLU A 35 26.233 22.397 44.295 1.00 7.15 H new ATOM 0 HB2 GLU A 35 28.149 23.946 42.714 1.00 28.62 H new ATOM 0 HB3 GLU A 35 28.409 23.764 44.241 1.00 28.62 H new ATOM 0 HG2 GLU A 35 28.278 21.399 43.940 1.00 55.68 H new ATOM 0 HG3 GLU A 35 28.137 21.629 42.404 1.00 55.68 H new ATOM 283 N ILE A 36 25.683 25.277 43.370 1.00 15.78 N ATOM 284 CA ILE A 36 25.338 26.591 43.779 1.00 15.86 C ATOM 285 C ILE A 36 23.863 26.477 44.208 1.00 18.25 C ATOM 286 O ILE A 36 23.538 27.084 45.231 1.00 12.03 O ATOM 287 CB ILE A 36 25.643 27.651 42.653 1.00 17.79 C ATOM 288 CG1 ILE A 36 27.158 27.899 42.280 1.00 11.11 C ATOM 289 CG2 ILE A 36 25.145 28.997 42.998 1.00 7.36 C ATOM 290 CD1 ILE A 36 27.424 28.840 41.059 1.00 10.49 C ATOM 0 H ILE A 36 25.621 25.119 42.527 1.00 15.78 H new ATOM 0 HA ILE A 36 25.870 26.925 44.518 1.00 15.86 H new ATOM 0 HB ILE A 36 25.192 27.233 41.903 1.00 17.79 H new ATOM 0 HG12 ILE A 36 27.606 28.272 43.055 1.00 11.11 H new ATOM 0 HG13 ILE A 36 27.572 27.041 42.099 1.00 11.11 H new ATOM 0 HG21 ILE A 36 25.354 29.614 42.279 1.00 7.36 H new ATOM 0 HG22 ILE A 36 24.184 28.964 43.126 1.00 7.36 H new ATOM 0 HG23 ILE A 36 25.569 29.299 43.816 1.00 7.36 H new ATOM 0 HD11 ILE A 36 28.380 28.924 40.917 1.00 10.49 H new ATOM 0 HD12 ILE A 36 27.011 28.465 40.265 1.00 10.49 H new ATOM 0 HD13 ILE A 36 27.046 29.715 41.236 1.00 10.49 H new ATOM 291 N ALA A 37 23.018 25.630 43.505 1.00 9.29 N ATOM 292 CA ALA A 37 21.564 25.364 43.813 1.00 12.54 C ATOM 293 C ALA A 37 20.897 23.966 43.365 1.00 12.53 C ATOM 294 O ALA A 37 20.458 23.781 42.188 1.00 9.49 O ATOM 295 CB ALA A 37 20.831 26.442 43.144 1.00 14.32 C ATOM 0 H ALA A 37 23.292 25.188 42.820 1.00 9.29 H new ATOM 0 HA ALA A 37 21.513 25.318 44.781 1.00 12.54 H new ATOM 0 HB1 ALA A 37 19.880 26.333 43.301 1.00 14.32 H new ATOM 0 HB2 ALA A 37 21.121 27.298 43.497 1.00 14.32 H new ATOM 0 HB3 ALA A 37 21.006 26.410 42.191 1.00 14.32 H new ATOM 296 N PRO A 38 20.927 23.003 44.250 1.00 17.66 N ATOM 297 CA PRO A 38 20.384 21.568 44.004 1.00 18.09 C ATOM 298 C PRO A 38 18.930 21.342 43.494 1.00 20.92 C ATOM 299 O PRO A 38 18.559 20.399 42.682 1.00 23.61 O ATOM 300 CB PRO A 38 20.480 20.810 45.329 1.00 10.24 C ATOM 301 CG PRO A 38 21.231 21.823 46.326 1.00 4.79 C ATOM 302 CD PRO A 38 21.473 23.203 45.622 1.00 9.42 C ATOM 0 HA PRO A 38 20.937 21.268 43.265 1.00 18.09 H new ATOM 0 HB2 PRO A 38 19.601 20.573 45.664 1.00 10.24 H new ATOM 0 HB3 PRO A 38 20.977 19.983 45.227 1.00 10.24 H new ATOM 0 HG2 PRO A 38 20.700 21.951 47.127 1.00 4.79 H new ATOM 0 HG3 PRO A 38 22.078 21.443 46.605 1.00 4.79 H new ATOM 0 HD2 PRO A 38 21.017 23.923 46.085 1.00 9.42 H new ATOM 0 HD3 PRO A 38 22.416 23.431 45.600 1.00 9.42 H new ATOM 303 N ALA A 39 18.172 22.235 43.904 1.00 12.06 N ATOM 304 CA ALA A 39 16.743 22.201 43.536 1.00 12.32 C ATOM 305 C ALA A 39 16.539 22.341 42.038 1.00 8.18 C ATOM 306 O ALA A 39 15.412 21.920 41.509 1.00 15.75 O ATOM 307 CB ALA A 39 16.157 23.344 44.257 1.00 15.05 C ATOM 0 H ALA A 39 18.410 22.896 44.400 1.00 12.06 H new ATOM 0 HA ALA A 39 16.329 21.356 43.771 1.00 12.32 H new ATOM 0 HB1 ALA A 39 15.207 23.394 44.067 1.00 15.05 H new ATOM 0 HB2 ALA A 39 16.290 23.228 45.211 1.00 15.05 H new ATOM 0 HB3 ALA A 39 16.588 24.164 43.969 1.00 15.05 H new ATOM 308 N ALA A 40 17.596 22.974 41.399 1.00 13.33 N ATOM 309 CA ALA A 40 17.542 23.273 39.969 1.00 16.32 C ATOM 310 C ALA A 40 17.302 21.990 39.135 1.00 17.40 C ATOM 311 O ALA A 40 16.926 22.044 37.942 1.00 16.48 O ATOM 312 CB ALA A 40 18.871 24.120 39.500 1.00 10.32 C ATOM 0 H ALA A 40 18.321 23.220 41.791 1.00 13.33 H new ATOM 0 HA ALA A 40 16.778 23.846 39.798 1.00 16.32 H new ATOM 0 HB1 ALA A 40 18.816 24.308 38.550 1.00 10.32 H new ATOM 0 HB2 ALA A 40 18.914 24.955 39.993 1.00 10.32 H new ATOM 0 HB3 ALA A 40 19.668 23.598 39.680 1.00 10.32 H new ATOM 313 N LYS A 41 17.633 20.911 39.722 1.00 9.76 N ATOM 314 CA LYS A 41 17.601 19.631 38.997 1.00 13.50 C ATOM 315 C LYS A 41 16.233 19.167 38.342 1.00 20.52 C ATOM 316 O LYS A 41 16.164 18.732 37.161 1.00 20.51 O ATOM 317 CB LYS A 41 17.911 18.525 39.966 1.00 23.49 C ATOM 318 CG LYS A 41 17.873 17.146 39.270 1.00 42.18 C ATOM 319 CD LYS A 41 18.229 16.068 40.252 1.00 52.08 C ATOM 320 CE LYS A 41 18.127 14.660 39.607 1.00 39.25 C ATOM 321 NZ LYS A 41 16.718 14.128 39.268 0.00 0.00 N ATOM 0 H LYS A 41 17.886 20.859 40.542 1.00 9.76 H new ATOM 0 HA LYS A 41 18.232 19.789 38.277 1.00 13.50 H new ATOM 0 HB2 LYS A 41 18.787 18.669 40.356 1.00 23.49 H new ATOM 0 HB3 LYS A 41 17.270 18.540 40.694 1.00 23.49 H new ATOM 0 HG2 LYS A 41 16.989 16.983 38.905 1.00 42.18 H new ATOM 0 HG3 LYS A 41 18.494 17.134 38.525 1.00 42.18 H new ATOM 0 HD2 LYS A 41 19.131 16.211 40.580 1.00 52.08 H new ATOM 0 HD3 LYS A 41 17.637 16.118 41.019 1.00 52.08 H new ATOM 0 HE2 LYS A 41 18.648 14.668 38.789 1.00 39.25 H new ATOM 0 HE3 LYS A 41 18.550 14.025 40.207 1.00 39.25 H new ATOM 0 HZ1 LYS A 41 16.786 13.318 38.906 0.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.232 14.080 40.012 0.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.323 14.679 38.691 0.00 0.00 H new ATOM 322 N ASP A 42 15.194 19.390 39.066 1.00 23.51 N ATOM 323 CA ASP A 42 13.786 19.040 38.631 1.00 25.97 C ATOM 324 C ASP A 42 13.435 19.774 37.375 1.00 35.32 C ATOM 325 O ASP A 42 12.376 19.318 36.748 1.00 25.90 O ATOM 326 CB ASP A 42 12.825 19.309 39.767 1.00 32.11 C ATOM 327 CG ASP A 42 13.064 18.392 40.932 1.00 53.84 C ATOM 328 OD1 ASP A 42 13.701 18.908 41.935 1.00 55.06 O ATOM 329 OD2 ASP A 42 13.089 17.162 40.691 1.00 49.45 O ATOM 0 H ASP A 42 15.234 19.753 39.845 1.00 23.51 H new ATOM 0 HA ASP A 42 13.723 18.095 38.422 1.00 25.97 H new ATOM 0 HB2 ASP A 42 12.917 20.230 40.057 1.00 32.11 H new ATOM 0 HB3 ASP A 42 11.914 19.200 39.452 1.00 32.11 H new ATOM 330 N LEU A 43 14.277 20.861 37.016 1.00 17.43 N ATOM 331 CA LEU A 43 13.990 21.643 35.828 1.00 14.86 C ATOM 332 C LEU A 43 14.282 20.956 34.525 1.00 24.77 C ATOM 333 O LEU A 43 13.766 21.290 33.455 1.00 21.10 O ATOM 334 CB LEU A 43 14.817 23.072 35.824 1.00 19.64 C ATOM 335 CG LEU A 43 14.502 23.933 37.025 1.00 10.43 C ATOM 336 CD1 LEU A 43 15.428 25.307 37.012 1.00 14.94 C ATOM 337 CD2 LEU A 43 12.998 24.111 37.055 1.00 20.68 C ATOM 0 H LEU A 43 14.972 21.109 37.458 1.00 17.43 H new ATOM 0 HA LEU A 43 13.032 21.783 35.883 1.00 14.86 H new ATOM 0 HB2 LEU A 43 15.769 22.890 35.803 1.00 19.64 H new ATOM 0 HB3 LEU A 43 14.604 23.562 35.015 1.00 19.64 H new ATOM 0 HG LEU A 43 14.746 23.526 37.871 1.00 10.43 H new ATOM 0 HD11 LEU A 43 15.215 25.849 37.788 1.00 14.94 H new ATOM 0 HD12 LEU A 43 16.367 25.065 37.035 1.00 14.94 H new ATOM 0 HD13 LEU A 43 15.245 25.813 36.205 1.00 14.94 H new ATOM 0 HD21 LEU A 43 12.752 24.661 37.815 1.00 20.68 H new ATOM 0 HD22 LEU A 43 12.707 24.543 36.237 1.00 20.68 H new ATOM 0 HD23 LEU A 43 12.571 23.244 37.132 1.00 20.68 H new ATOM 338 N PHE A 44 15.245 20.199 34.590 1.00 13.25 N ATOM 339 CA PHE A 44 15.840 19.707 33.374 1.00 20.72 C ATOM 340 C PHE A 44 15.299 18.235 33.067 1.00 32.19 C ATOM 341 O PHE A 44 15.420 17.354 33.933 1.00 22.12 O ATOM 342 CB PHE A 44 17.391 19.871 33.499 1.00 13.10 C ATOM 343 CG PHE A 44 18.010 21.356 33.741 1.00 17.35 C ATOM 344 CD1 PHE A 44 18.323 21.809 35.019 1.00 11.47 C ATOM 345 CD2 PHE A 44 18.246 22.235 32.681 1.00 19.25 C ATOM 346 CE1 PHE A 44 18.872 23.147 35.244 1.00 27.47 C ATOM 347 CE2 PHE A 44 18.794 23.580 32.902 1.00 15.02 C ATOM 348 CZ PHE A 44 19.104 24.037 34.182 1.00 24.74 C ATOM 0 H PHE A 44 15.611 19.925 35.318 1.00 13.25 H new ATOM 0 HA PHE A 44 15.583 20.216 32.589 1.00 20.72 H new ATOM 0 HB2 PHE A 44 17.687 19.307 34.231 1.00 13.10 H new ATOM 0 HB3 PHE A 44 17.789 19.516 32.689 1.00 13.10 H new ATOM 0 HD1 PHE A 44 18.180 21.248 35.747 1.00 11.47 H new ATOM 0 HD2 PHE A 44 18.051 21.962 31.814 1.00 19.25 H new ATOM 0 HE1 PHE A 44 19.072 23.415 36.112 1.00 27.47 H new ATOM 0 HE2 PHE A 44 18.937 24.139 32.172 1.00 15.02 H new ATOM 0 HZ PHE A 44 19.448 24.889 34.326 1.00 24.74 H new ATOM 349 N SER A 45 14.628 18.028 31.933 1.00 26.15 N ATOM 350 CA SER A 45 13.943 16.696 31.481 1.00 31.21 C ATOM 351 C SER A 45 14.866 15.614 31.464 1.00 24.41 C ATOM 352 O SER A 45 14.429 14.426 31.825 1.00 23.99 O ATOM 353 CB SER A 45 13.348 16.815 30.070 1.00 45.40 C ATOM 354 OG SER A 45 14.399 17.313 29.134 1.00 42.85 O ATOM 0 H SER A 45 14.529 18.654 31.352 1.00 26.15 H new ATOM 0 HA SER A 45 13.239 16.527 32.127 1.00 31.21 H new ATOM 0 HB2 SER A 45 13.017 15.953 29.773 1.00 45.40 H new ATOM 0 HB3 SER A 45 12.591 17.422 30.076 1.00 45.40 H new ATOM 0 HG SER A 45 14.078 17.378 28.361 1.00 42.85 H new ATOM 355 N PHE A 46 16.117 16.022 31.099 1.00 24.99 N ATOM 356 CA PHE A 46 17.116 15.089 31.021 1.00 22.05 C ATOM 357 C PHE A 46 17.817 14.877 32.344 1.00 39.94 C ATOM 358 O PHE A 46 18.606 14.014 32.424 1.00 23.16 O ATOM 359 CB PHE A 46 18.152 15.511 29.899 1.00 16.33 C ATOM 360 CG PHE A 46 18.742 17.024 29.963 1.00 23.20 C ATOM 361 CD1 PHE A 46 18.275 17.921 29.098 1.00 19.59 C ATOM 362 CD2 PHE A 46 19.757 17.478 30.857 1.00 23.08 C ATOM 363 CE1 PHE A 46 18.813 19.282 29.129 1.00 24.34 C ATOM 364 CE2 PHE A 46 20.302 18.839 30.895 1.00 26.49 C ATOM 365 CZ PHE A 46 19.832 19.743 30.026 1.00 20.15 C ATOM 0 H PHE A 46 16.343 16.830 30.909 1.00 24.99 H new ATOM 0 HA PHE A 46 16.709 14.241 30.786 1.00 22.05 H new ATOM 0 HB2 PHE A 46 18.900 14.895 29.934 1.00 16.33 H new ATOM 0 HB3 PHE A 46 17.726 15.391 29.036 1.00 16.33 H new ATOM 0 HD1 PHE A 46 17.617 17.687 28.484 1.00 19.59 H new ATOM 0 HD2 PHE A 46 20.100 16.862 31.464 1.00 23.08 H new ATOM 0 HE1 PHE A 46 18.467 19.894 28.520 1.00 24.34 H new ATOM 0 HE2 PHE A 46 20.960 19.070 31.510 1.00 26.49 H new ATOM 0 HZ PHE A 46 20.148 20.618 30.006 1.00 20.15 H new ATOM 366 N LEU A 47 17.503 15.595 33.370 1.00 39.04 N ATOM 367 CA LEU A 47 18.056 15.400 34.708 1.00 18.33 C ATOM 368 C LEU A 47 16.940 14.730 35.629 1.00 32.80 C ATOM 369 O LEU A 47 17.214 13.987 36.569 1.00 20.12 O ATOM 370 CB LEU A 47 18.673 16.745 35.370 1.00 25.60 C ATOM 371 CG LEU A 47 19.856 17.553 34.590 1.00 47.84 C ATOM 372 CD1 LEU A 47 20.384 18.891 35.312 1.00 31.34 C ATOM 373 CD2 LEU A 47 21.006 16.723 34.325 1.00 31.88 C ATOM 0 H LEU A 47 16.939 16.243 33.328 1.00 39.04 H new ATOM 0 HA LEU A 47 18.819 14.806 34.631 1.00 18.33 H new ATOM 0 HB2 LEU A 47 17.939 17.365 35.507 1.00 25.60 H new ATOM 0 HB3 LEU A 47 19.012 16.508 36.247 1.00 25.60 H new ATOM 0 HG LEU A 47 19.414 17.818 33.768 1.00 47.84 H new ATOM 0 HD11 LEU A 47 21.082 19.296 34.773 1.00 31.34 H new ATOM 0 HD12 LEU A 47 19.649 19.516 35.412 1.00 31.34 H new ATOM 0 HD13 LEU A 47 20.740 18.668 36.187 1.00 31.34 H new ATOM 0 HD21 LEU A 47 21.681 17.243 33.862 1.00 31.88 H new ATOM 0 HD22 LEU A 47 21.369 16.396 35.163 1.00 31.88 H new ATOM 0 HD23 LEU A 47 20.742 15.971 33.772 1.00 31.88 H new ATOM 374 N LYS A 48 15.723 15.018 35.358 1.00 59.13 N ATOM 375 CA LYS A 48 14.527 14.397 36.102 1.00 60.26 C ATOM 376 C LYS A 48 14.400 12.868 35.999 1.00 48.59 C ATOM 377 O LYS A 48 14.360 12.312 34.871 1.00 52.45 O ATOM 378 CB LYS A 48 13.206 14.782 35.528 1.00 49.61 C ATOM 379 CG LYS A 48 12.999 16.246 35.805 0.00 0.00 C ATOM 380 CD LYS A 48 11.587 16.479 35.330 0.00 0.00 C ATOM 381 CE LYS A 48 11.337 16.092 33.852 0.00 0.00 C ATOM 382 NZ LYS A 48 9.976 16.314 33.450 0.00 0.00 N ATOM 0 H LYS A 48 15.497 15.576 34.744 1.00 59.13 H new ATOM 0 HA LYS A 48 14.711 14.716 36.999 1.00 60.26 H new ATOM 0 HB2 LYS A 48 13.186 14.610 34.574 1.00 49.61 H new ATOM 0 HB3 LYS A 48 12.495 14.256 35.926 1.00 49.61 H new ATOM 0 HG2 LYS A 48 13.100 16.452 36.747 0.00 0.00 H new ATOM 0 HG3 LYS A 48 13.636 16.797 35.324 0.00 0.00 H new ATOM 0 HD2 LYS A 48 10.980 15.972 35.893 0.00 0.00 H new ATOM 0 HD3 LYS A 48 11.368 17.416 35.449 0.00 0.00 H new ATOM 0 HE2 LYS A 48 11.928 16.607 33.281 0.00 0.00 H new ATOM 0 HE3 LYS A 48 11.561 15.157 33.723 0.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.876 16.080 32.597 0.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.433 15.825 33.957 0.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.775 17.176 33.546 0.00 0.00 H new ATOM 383 N GLY A 49 14.365 12.218 37.129 1.00 48.11 N ATOM 384 CA GLY A 49 14.171 10.744 37.128 1.00 58.75 C ATOM 385 C GLY A 49 15.498 10.186 37.218 1.00 46.69 C ATOM 386 O GLY A 49 15.507 9.049 37.746 1.00 54.53 O ATOM 0 H GLY A 49 14.447 12.577 37.906 1.00 48.11 H new ATOM 0 HA2 GLY A 49 13.621 10.463 37.876 1.00 58.75 H new ATOM 0 HA3 GLY A 49 13.722 10.451 36.320 1.00 58.75 H new ATOM 387 N THR A 50 16.601 11.016 36.886 1.00 44.61 N ATOM 388 CA THR A 50 17.931 10.611 37.154 1.00 59.60 C ATOM 389 C THR A 50 18.280 10.758 38.638 1.00 59.26 C ATOM 390 O THR A 50 17.593 11.402 39.386 1.00 55.93 O ATOM 391 CB THR A 50 19.085 11.448 36.349 1.00 43.45 C ATOM 392 OG1 THR A 50 19.484 12.739 36.967 1.00 38.21 O ATOM 393 CG2 THR A 50 18.735 11.625 34.867 1.00 40.21 C ATOM 0 H THR A 50 16.530 11.788 36.515 1.00 44.61 H new ATOM 0 HA THR A 50 17.938 9.688 36.856 1.00 59.60 H new ATOM 0 HB THR A 50 19.873 10.887 36.419 1.00 43.45 H new ATOM 0 HG1 THR A 50 18.848 13.285 36.910 1.00 38.21 H new ATOM 0 HG21 THR A 50 19.440 12.124 34.425 1.00 40.21 H new ATOM 0 HG22 THR A 50 18.645 10.754 34.449 1.00 40.21 H new ATOM 0 HG23 THR A 50 17.898 12.109 34.788 1.00 40.21 H new ATOM 394 N SER A 51 19.422 10.384 39.009 1.00 45.37 N ATOM 395 CA SER A 51 20.003 10.721 40.336 1.00 52.19 C ATOM 396 C SER A 51 21.300 11.719 40.205 1.00 67.66 C ATOM 397 O SER A 51 21.419 12.875 40.729 1.00 55.84 O ATOM 398 CB SER A 51 20.377 9.457 41.024 1.00 54.64 C ATOM 399 OG SER A 51 21.094 9.862 42.234 0.00 0.00 O ATOM 0 H SER A 51 19.942 9.907 38.517 1.00 45.37 H new ATOM 0 HA SER A 51 19.339 11.200 40.856 1.00 52.19 H new ATOM 0 HB2 SER A 51 19.590 8.934 41.244 1.00 54.64 H new ATOM 0 HB3 SER A 51 20.936 8.904 40.456 1.00 54.64 H new ATOM 0 HG SER A 51 21.328 9.179 42.663 0.00 0.00 H new ATOM 400 N GLU A 52 22.159 11.300 39.378 1.00 45.45 N ATOM 401 CA GLU A 52 23.403 12.139 38.953 1.00 49.26 C ATOM 402 C GLU A 52 23.225 12.752 37.583 1.00 56.66 C ATOM 403 O GLU A 52 22.438 12.110 36.744 1.00 41.75 O ATOM 404 CB GLU A 52 24.550 11.275 38.884 1.00 32.95 C ATOM 405 CG GLU A 52 24.791 10.626 40.242 0.00 0.00 C ATOM 406 CD GLU A 52 25.967 9.828 40.102 0.00 0.00 C ATOM 407 OE1 GLU A 52 26.800 10.107 39.164 0.00 0.00 O ATOM 408 OE2 GLU A 52 26.294 9.156 41.079 0.00 0.00 O ATOM 0 H GLU A 52 22.113 10.530 38.998 1.00 45.45 H new ATOM 0 HA GLU A 52 23.516 12.845 39.609 1.00 49.26 H new ATOM 0 HB2 GLU A 52 24.410 10.592 38.210 1.00 32.95 H new ATOM 0 HB3 GLU A 52 25.332 11.783 38.616 1.00 32.95 H new ATOM 0 HG2 GLU A 52 24.909 11.299 40.931 0.00 0.00 H new ATOM 0 HG3 GLU A 52 24.033 10.081 40.505 0.00 0.00 H new ATOM 409 N VAL A 53 24.001 13.911 37.356 1.00 26.69 N ATOM 410 CA VAL A 53 24.102 14.547 36.039 1.00 35.26 C ATOM 411 C VAL A 53 24.721 13.656 35.044 1.00 34.81 C ATOM 412 O VAL A 53 25.815 13.238 35.316 1.00 16.75 O ATOM 413 CB VAL A 53 24.952 15.967 36.144 1.00 31.82 C ATOM 414 CG1 VAL A 53 25.146 16.715 34.796 1.00 16.73 C ATOM 415 CG2 VAL A 53 24.371 16.840 37.199 1.00 25.51 C ATOM 0 H VAL A 53 24.454 14.306 37.971 1.00 26.69 H new ATOM 0 HA VAL A 53 23.199 14.738 35.740 1.00 35.26 H new ATOM 0 HB VAL A 53 25.854 15.721 36.401 1.00 31.82 H new ATOM 0 HG11 VAL A 53 25.650 17.530 34.947 1.00 16.73 H new ATOM 0 HG12 VAL A 53 25.630 16.146 34.177 1.00 16.73 H new ATOM 0 HG13 VAL A 53 24.279 16.937 34.421 1.00 16.73 H new ATOM 0 HG21 VAL A 53 24.877 17.666 37.250 1.00 25.51 H new ATOM 0 HG22 VAL A 53 23.447 17.040 36.981 1.00 25.51 H new ATOM 0 HG23 VAL A 53 24.410 16.384 38.054 1.00 25.51 H new ATOM 416 N PRO A 54 23.926 13.200 34.037 1.00 22.26 N ATOM 417 CA PRO A 54 24.338 12.372 32.933 1.00 10.40 C ATOM 418 C PRO A 54 25.630 13.056 32.259 1.00 26.75 C ATOM 419 O PRO A 54 25.900 14.324 32.215 1.00 23.58 O ATOM 420 CB PRO A 54 23.212 12.242 31.882 1.00 5.37 C ATOM 421 CG PRO A 54 22.195 13.152 32.329 1.00 13.79 C ATOM 422 CD PRO A 54 22.624 13.658 33.736 1.00 17.56 C ATOM 0 HA PRO A 54 24.544 11.481 33.256 1.00 10.40 H new ATOM 0 HB2 PRO A 54 23.528 12.474 30.995 1.00 5.37 H new ATOM 0 HB3 PRO A 54 22.876 11.333 31.835 1.00 5.37 H new ATOM 0 HG2 PRO A 54 22.103 13.894 31.711 1.00 13.79 H new ATOM 0 HG3 PRO A 54 21.333 12.709 32.372 1.00 13.79 H new ATOM 0 HD2 PRO A 54 22.600 14.627 33.761 1.00 17.56 H new ATOM 0 HD3 PRO A 54 21.999 13.342 34.407 1.00 17.56 H new ATOM 423 N GLN A 55 26.468 12.259 31.849 1.00 16.62 N ATOM 424 CA GLN A 55 27.794 12.825 31.319 1.00 19.71 C ATOM 425 C GLN A 55 27.905 12.810 29.799 1.00 13.73 C ATOM 426 O GLN A 55 28.781 13.636 29.209 1.00 29.87 O ATOM 427 CB GLN A 55 28.846 12.062 31.956 1.00 22.23 C ATOM 428 CG GLN A 55 28.523 11.868 33.452 1.00 34.72 C ATOM 429 CD GLN A 55 29.638 11.247 34.136 1.00 48.31 C ATOM 430 OE1 GLN A 55 30.824 11.529 33.697 1.00 56.61 O ATOM 431 NE2 GLN A 55 29.342 10.855 35.372 1.00 54.12 N ATOM 0 H GLN A 55 26.384 11.403 31.829 1.00 16.62 H new ATOM 0 HA GLN A 55 27.860 13.767 31.540 1.00 19.71 H new ATOM 0 HB2 GLN A 55 28.938 11.199 31.523 1.00 22.23 H new ATOM 0 HB3 GLN A 55 29.695 12.521 31.857 1.00 22.23 H new ATOM 0 HG2 GLN A 55 28.324 12.726 33.859 1.00 34.72 H new ATOM 0 HG3 GLN A 55 27.730 11.317 33.548 1.00 34.72 H new ATOM 0 HE21 GLN A 55 28.526 10.686 35.586 1.00 54.12 H new ATOM 0 HE22 GLN A 55 29.966 10.770 35.957 1.00 54.12 H new ATOM 432 N ASN A 56 27.063 11.886 29.172 1.00 16.09 N ATOM 433 CA ASN A 56 27.041 11.766 27.707 1.00 9.31 C ATOM 434 C ASN A 56 25.636 11.839 27.148 1.00 10.84 C ATOM 435 O ASN A 56 25.139 11.049 26.238 1.00 13.63 O ATOM 436 CB ASN A 56 27.510 10.438 27.245 1.00 9.57 C ATOM 437 CG ASN A 56 28.985 10.444 27.638 1.00 42.57 C ATOM 438 OD1 ASN A 56 29.242 9.973 28.761 1.00 27.08 O ATOM 439 ND2 ASN A 56 29.814 11.406 27.036 1.00 21.63 N ATOM 0 H ASN A 56 26.529 11.354 29.587 1.00 16.09 H new ATOM 0 HA ASN A 56 27.608 12.494 27.407 1.00 9.31 H new ATOM 0 HB2 ASN A 56 27.026 9.716 27.675 1.00 9.57 H new ATOM 0 HB3 ASN A 56 27.393 10.328 26.288 1.00 9.57 H new ATOM 0 HD21 ASN A 56 30.518 11.683 27.445 1.00 21.63 H new ATOM 0 HD22 ASN A 56 29.617 11.718 26.259 1.00 21.63 H new ATOM 440 N ASN A 57 25.016 12.769 27.684 1.00 9.30 N ATOM 441 CA ASN A 57 23.673 12.986 27.237 1.00 7.36 C ATOM 442 C ASN A 57 23.763 14.100 26.196 1.00 12.10 C ATOM 443 O ASN A 57 24.231 15.287 26.532 1.00 15.49 O ATOM 444 CB ASN A 57 22.809 13.363 28.413 1.00 14.36 C ATOM 445 CG ASN A 57 21.354 13.320 27.933 1.00 11.85 C ATOM 446 OD1 ASN A 57 21.022 14.291 27.280 1.00 21.26 O ATOM 447 ND2 ASN A 57 20.469 12.384 28.508 1.00 13.23 N ATOM 0 H ASN A 57 25.311 13.296 28.296 1.00 9.30 H new ATOM 0 HA ASN A 57 23.269 12.196 26.845 1.00 7.36 H new ATOM 0 HB2 ASN A 57 22.945 12.747 29.150 1.00 14.36 H new ATOM 0 HB3 ASN A 57 23.037 14.248 28.737 1.00 14.36 H new ATOM 0 HD21 ASN A 57 19.620 12.477 28.408 1.00 13.23 H new ATOM 0 HD22 ASN A 57 20.779 11.720 28.958 1.00 13.23 H new ATOM 448 N PRO A 58 23.326 13.719 24.995 1.00 30.11 N ATOM 449 CA PRO A 58 23.396 14.634 23.838 1.00 23.51 C ATOM 450 C PRO A 58 22.603 15.814 23.998 1.00 13.13 C ATOM 451 O PRO A 58 22.995 16.884 23.364 1.00 15.83 O ATOM 452 CB PRO A 58 22.885 13.793 22.600 1.00 14.50 C ATOM 453 CG PRO A 58 22.492 12.330 23.081 1.00 22.65 C ATOM 454 CD PRO A 58 22.804 12.316 24.588 1.00 35.37 C ATOM 0 HA PRO A 58 24.305 14.955 23.727 1.00 23.51 H new ATOM 0 HB2 PRO A 58 22.118 14.228 22.195 1.00 14.50 H new ATOM 0 HB3 PRO A 58 23.576 13.746 21.921 1.00 14.50 H new ATOM 0 HG2 PRO A 58 21.555 12.144 22.914 1.00 22.65 H new ATOM 0 HG3 PRO A 58 23.004 11.655 22.609 1.00 22.65 H new ATOM 0 HD2 PRO A 58 22.008 12.092 25.095 1.00 35.37 H new ATOM 0 HD3 PRO A 58 23.468 11.638 24.789 1.00 35.37 H new ATOM 455 N GLU A 59 21.508 15.633 24.762 1.00 13.21 N ATOM 456 CA GLU A 59 20.697 16.732 24.928 1.00 17.14 C ATOM 457 C GLU A 59 21.429 17.819 25.830 1.00 16.07 C ATOM 458 O GLU A 59 21.589 19.035 25.468 1.00 16.40 O ATOM 459 CB GLU A 59 19.316 16.278 25.585 1.00 14.29 C ATOM 460 CG GLU A 59 18.221 15.651 24.598 1.00 61.57 C ATOM 461 CD GLU A 59 16.853 15.719 25.251 1.00 69.29 C ATOM 462 OE1 GLU A 59 16.454 16.851 25.341 1.00 58.49 O ATOM 463 OE2 GLU A 59 16.359 14.792 26.035 1.00 54.18 O ATOM 0 H GLU A 59 21.267 14.906 25.153 1.00 13.21 H new ATOM 0 HA GLU A 59 20.512 17.134 24.065 1.00 17.14 H new ATOM 0 HB2 GLU A 59 19.510 15.625 26.276 1.00 14.29 H new ATOM 0 HB3 GLU A 59 18.922 17.048 26.024 1.00 14.29 H new ATOM 0 HG2 GLU A 59 18.213 16.136 23.758 1.00 61.57 H new ATOM 0 HG3 GLU A 59 18.446 14.730 24.392 1.00 61.57 H new ATOM 464 N LEU A 60 21.900 17.327 26.916 1.00 10.45 N ATOM 465 CA LEU A 60 22.714 18.159 27.895 1.00 12.78 C ATOM 466 C LEU A 60 23.918 18.993 27.200 1.00 22.29 C ATOM 467 O LEU A 60 24.172 20.243 27.408 1.00 16.34 O ATOM 468 CB LEU A 60 23.168 17.225 28.991 1.00 17.21 C ATOM 469 CG LEU A 60 23.961 17.947 30.182 1.00 20.18 C ATOM 470 CD1 LEU A 60 23.744 17.079 31.455 1.00 13.44 C ATOM 471 CD2 LEU A 60 25.491 18.328 29.909 1.00 14.60 C ATOM 0 H LEU A 60 21.788 16.509 27.157 1.00 10.45 H new ATOM 0 HA LEU A 60 22.164 18.864 28.270 1.00 12.78 H new ATOM 0 HB2 LEU A 60 22.393 16.773 29.359 1.00 17.21 H new ATOM 0 HB3 LEU A 60 23.737 16.541 28.604 1.00 17.21 H new ATOM 0 HG LEU A 60 23.589 18.836 30.292 1.00 20.18 H new ATOM 0 HD11 LEU A 60 24.210 17.482 32.205 1.00 13.44 H new ATOM 0 HD12 LEU A 60 22.796 17.027 31.654 1.00 13.44 H new ATOM 0 HD13 LEU A 60 24.091 16.186 31.301 1.00 13.44 H new ATOM 0 HD21 LEU A 60 25.863 18.757 30.696 1.00 14.60 H new ATOM 0 HD22 LEU A 60 25.995 17.523 29.711 1.00 14.60 H new ATOM 0 HD23 LEU A 60 25.544 18.936 29.155 1.00 14.60 H new ATOM 472 N GLN A 61 24.598 18.308 26.377 1.00 19.21 N ATOM 473 CA GLN A 61 25.824 18.948 25.692 1.00 5.73 C ATOM 474 C GLN A 61 25.541 20.017 24.695 1.00 13.79 C ATOM 475 O GLN A 61 26.272 21.160 24.680 1.00 8.10 O ATOM 476 CB GLN A 61 26.549 17.886 24.992 1.00 8.70 C ATOM 477 CG GLN A 61 27.143 16.989 26.019 1.00 6.68 C ATOM 478 CD GLN A 61 27.814 15.923 25.294 1.00 15.77 C ATOM 479 OE1 GLN A 61 28.220 15.000 25.966 1.00 19.02 O ATOM 480 NE2 GLN A 61 27.495 15.790 24.024 1.00 8.87 N ATOM 0 H GLN A 61 24.434 17.493 26.157 1.00 19.21 H new ATOM 0 HA GLN A 61 26.321 19.376 26.407 1.00 5.73 H new ATOM 0 HB2 GLN A 61 25.950 17.390 24.413 1.00 8.70 H new ATOM 0 HB3 GLN A 61 27.242 18.262 24.427 1.00 8.70 H new ATOM 0 HG2 GLN A 61 27.769 17.473 26.580 1.00 6.68 H new ATOM 0 HG3 GLN A 61 26.457 16.631 26.604 1.00 6.68 H new ATOM 0 HE21 GLN A 61 27.210 16.468 23.579 1.00 8.87 H new ATOM 0 HE22 GLN A 61 27.571 15.025 23.639 1.00 8.87 H new ATOM 481 N ALA A 62 24.501 19.631 23.907 1.00 15.26 N ATOM 482 CA ALA A 62 24.108 20.517 22.861 1.00 15.27 C ATOM 483 C ALA A 62 23.596 21.754 23.439 1.00 25.27 C ATOM 484 O ALA A 62 23.927 22.900 22.928 1.00 14.85 O ATOM 485 CB ALA A 62 22.994 19.742 21.980 1.00 10.85 C ATOM 0 H ALA A 62 24.054 18.900 23.978 1.00 15.26 H new ATOM 0 HA ALA A 62 24.853 20.763 22.290 1.00 15.27 H new ATOM 0 HB1 ALA A 62 22.699 20.314 21.254 1.00 10.85 H new ATOM 0 HB2 ALA A 62 23.378 18.929 21.615 1.00 10.85 H new ATOM 0 HB3 ALA A 62 22.236 19.517 22.542 1.00 10.85 H new ATOM 486 N HIS A 63 22.837 21.532 24.498 1.00 7.05 N ATOM 487 CA HIS A 63 22.253 22.631 25.128 1.00 9.76 C ATOM 488 C HIS A 63 23.275 23.609 25.930 1.00 19.81 C ATOM 489 O HIS A 63 23.374 24.860 25.717 1.00 12.78 O ATOM 490 CB HIS A 63 21.063 22.018 26.008 1.00 12.28 C ATOM 491 CG HIS A 63 19.788 21.516 25.177 1.00 44.52 C ATOM 492 ND1 HIS A 63 18.591 20.865 25.785 1.00 47.58 N ATOM 493 CD2 HIS A 63 19.581 21.600 23.852 1.00 48.14 C ATOM 494 CE1 HIS A 63 17.617 20.544 24.769 1.00 43.54 C ATOM 495 NE2 HIS A 63 18.246 21.009 23.558 1.00 48.62 N ATOM 0 H HIS A 63 22.665 20.763 24.842 1.00 7.05 H new ATOM 0 HA HIS A 63 21.916 23.262 24.473 1.00 9.76 H new ATOM 0 HB2 HIS A 63 21.411 21.272 26.521 1.00 12.28 H new ATOM 0 HB3 HIS A 63 20.772 22.689 26.645 1.00 12.28 H new ATOM 0 HD2 HIS A 63 20.168 21.963 23.229 1.00 48.14 H new ATOM 0 HE1 HIS A 63 16.787 20.137 24.871 1.00 43.54 H new ATOM 0 HE2 HIS A 63 17.898 20.953 22.774 1.00 48.62 H new ATOM 496 N ALA A 64 24.048 23.060 26.781 1.00 15.13 N ATOM 497 CA ALA A 64 25.095 23.908 27.566 1.00 10.67 C ATOM 498 C ALA A 64 26.177 24.678 26.664 1.00 10.18 C ATOM 499 O ALA A 64 26.665 25.880 26.928 1.00 19.94 O ATOM 500 CB ALA A 64 25.779 23.068 28.574 1.00 13.49 C ATOM 0 H ALA A 64 24.045 22.221 26.972 1.00 15.13 H new ATOM 0 HA ALA A 64 24.579 24.610 27.993 1.00 10.67 H new ATOM 0 HB1 ALA A 64 26.428 23.604 29.056 1.00 13.49 H new ATOM 0 HB2 ALA A 64 25.126 22.714 29.197 1.00 13.49 H new ATOM 0 HB3 ALA A 64 26.233 22.335 28.130 1.00 13.49 H new ATOM 501 N GLY A 65 26.435 24.033 25.568 1.00 17.11 N ATOM 502 CA GLY A 65 27.388 24.654 24.550 1.00 14.83 C ATOM 503 C GLY A 65 26.946 25.910 23.925 1.00 30.49 C ATOM 504 O GLY A 65 27.812 26.943 23.742 1.00 18.42 O ATOM 0 H GLY A 65 26.110 23.266 25.355 1.00 17.11 H new ATOM 0 HA2 GLY A 65 28.239 24.815 24.988 1.00 14.83 H new ATOM 0 HA3 GLY A 65 27.549 24.005 23.848 1.00 14.83 H new ATOM 505 N LYS A 66 25.630 25.828 23.672 1.00 24.65 N ATOM 506 CA LYS A 66 25.022 26.961 23.102 1.00 11.16 C ATOM 507 C LYS A 66 25.087 28.158 24.050 1.00 14.16 C ATOM 508 O LYS A 66 25.137 29.325 23.568 1.00 20.87 O ATOM 509 CB LYS A 66 23.522 26.556 22.726 1.00 13.14 C ATOM 510 CG LYS A 66 23.308 25.566 21.542 1.00 59.43 C ATOM 511 CD LYS A 66 21.791 25.114 21.263 1.00 63.14 C ATOM 512 CE LYS A 66 21.065 26.328 20.935 1.00 65.03 C ATOM 513 NZ LYS A 66 19.636 25.866 20.615 0.00 0.00 N ATOM 0 H LYS A 66 25.122 25.151 23.824 1.00 24.65 H new ATOM 0 HA LYS A 66 25.492 27.240 22.301 1.00 11.16 H new ATOM 0 HB2 LYS A 66 23.112 26.169 23.515 1.00 13.14 H new ATOM 0 HB3 LYS A 66 23.036 27.371 22.524 1.00 13.14 H new ATOM 0 HG2 LYS A 66 23.658 25.975 20.735 1.00 59.43 H new ATOM 0 HG3 LYS A 66 23.838 24.771 21.710 1.00 59.43 H new ATOM 0 HD2 LYS A 66 21.747 24.476 20.534 1.00 63.14 H new ATOM 0 HD3 LYS A 66 21.409 24.681 22.042 1.00 63.14 H new ATOM 0 HE2 LYS A 66 21.074 26.953 21.677 1.00 65.03 H new ATOM 0 HE3 LYS A 66 21.465 26.782 20.177 1.00 65.03 H new ATOM 0 HZ1 LYS A 66 19.136 26.571 20.404 0.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.654 25.299 19.929 0.00 0.00 H new ATOM 0 HZ3 LYS A 66 19.289 25.459 21.326 0.00 0.00 H new ATOM 514 N VAL A 67 24.957 27.860 25.332 1.00 16.13 N ATOM 515 CA VAL A 67 25.019 28.941 26.341 1.00 22.00 C ATOM 516 C VAL A 67 26.372 29.861 26.251 1.00 6.94 C ATOM 517 O VAL A 67 26.410 31.116 26.116 1.00 22.92 O ATOM 518 CB VAL A 67 24.889 28.366 27.775 1.00 14.92 C ATOM 519 CG1 VAL A 67 25.089 29.486 28.845 1.00 12.56 C ATOM 520 CG2 VAL A 67 23.537 27.448 27.981 1.00 18.05 C ATOM 0 H VAL A 67 24.835 27.068 25.645 1.00 16.13 H new ATOM 0 HA VAL A 67 24.268 29.520 26.139 1.00 22.00 H new ATOM 0 HB VAL A 67 25.613 27.735 27.911 1.00 14.92 H new ATOM 0 HG11 VAL A 67 25.004 29.105 29.733 1.00 12.56 H new ATOM 0 HG12 VAL A 67 25.971 29.876 28.745 1.00 12.56 H new ATOM 0 HG13 VAL A 67 24.416 30.174 28.723 1.00 12.56 H new ATOM 0 HG21 VAL A 67 23.507 27.116 28.892 1.00 18.05 H new ATOM 0 HG22 VAL A 67 22.750 27.988 27.808 1.00 18.05 H new ATOM 0 HG23 VAL A 67 23.557 26.699 27.365 1.00 18.05 H new ATOM 521 N PHE A 68 27.423 29.211 26.287 1.00 17.38 N ATOM 522 CA PHE A 68 28.822 29.904 26.272 1.00 4.44 C ATOM 523 C PHE A 68 29.165 30.670 24.977 1.00 13.57 C ATOM 524 O PHE A 68 29.884 31.816 25.018 1.00 23.13 O ATOM 525 CB PHE A 68 29.821 28.898 26.481 1.00 3.00 C ATOM 526 CG PHE A 68 29.940 28.559 27.973 1.00 19.23 C ATOM 527 CD1 PHE A 68 31.022 29.192 28.703 1.00 17.96 C ATOM 528 CD2 PHE A 68 28.982 27.617 28.578 1.00 9.37 C ATOM 529 CE1 PHE A 68 31.157 28.878 30.044 1.00 10.67 C ATOM 530 CE2 PHE A 68 29.110 27.295 29.915 1.00 11.41 C ATOM 531 CZ PHE A 68 30.201 27.923 30.649 1.00 26.37 C ATOM 0 H PHE A 68 27.454 28.352 26.322 1.00 17.38 H new ATOM 0 HA PHE A 68 28.798 30.572 26.975 1.00 4.44 H new ATOM 0 HB2 PHE A 68 29.593 28.099 25.980 1.00 3.00 H new ATOM 0 HB3 PHE A 68 30.676 29.209 26.145 1.00 3.00 H new ATOM 0 HD1 PHE A 68 31.603 29.786 28.286 1.00 17.96 H new ATOM 0 HD2 PHE A 68 28.300 27.244 28.067 1.00 9.37 H new ATOM 0 HE1 PHE A 68 31.834 29.259 30.555 1.00 10.67 H new ATOM 0 HE2 PHE A 68 28.525 26.703 30.329 1.00 11.41 H new ATOM 0 HZ PHE A 68 30.303 27.712 31.549 1.00 26.37 H new ATOM 532 N LYS A 69 28.577 30.075 23.905 1.00 11.06 N ATOM 533 CA LYS A 69 28.797 30.687 22.583 1.00 8.74 C ATOM 534 C LYS A 69 28.145 31.959 22.447 1.00 4.61 C ATOM 535 O LYS A 69 28.732 32.949 21.799 1.00 13.62 O ATOM 536 CB LYS A 69 28.260 29.711 21.454 1.00 19.11 C ATOM 537 CG LYS A 69 28.851 30.245 20.099 1.00 17.45 C ATOM 538 CD LYS A 69 27.881 29.811 18.934 1.00 48.12 C ATOM 539 CE LYS A 69 26.529 30.344 19.141 1.00 62.83 C ATOM 540 NZ LYS A 69 25.739 30.207 17.900 0.00 0.00 N ATOM 0 H LYS A 69 28.085 29.370 23.923 1.00 11.06 H new ATOM 0 HA LYS A 69 29.751 30.834 22.491 1.00 8.74 H new ATOM 0 HB2 LYS A 69 28.544 28.799 21.621 1.00 19.11 H new ATOM 0 HB3 LYS A 69 27.290 29.707 21.432 1.00 19.11 H new ATOM 0 HG2 LYS A 69 28.938 31.211 20.125 1.00 17.45 H new ATOM 0 HG3 LYS A 69 29.739 29.884 19.952 1.00 17.45 H new ATOM 0 HD2 LYS A 69 28.229 30.127 18.086 1.00 48.12 H new ATOM 0 HD3 LYS A 69 27.845 28.843 18.883 1.00 48.12 H new ATOM 0 HE2 LYS A 69 26.093 29.869 19.866 1.00 62.83 H new ATOM 0 HE3 LYS A 69 26.577 31.277 19.402 1.00 62.83 H new ATOM 0 HZ1 LYS A 69 24.921 30.532 18.031 0.00 0.00 H new ATOM 0 HZ2 LYS A 69 26.135 30.659 17.244 0.00 0.00 H new ATOM 0 HZ3 LYS A 69 25.684 29.347 17.676 0.00 0.00 H new ATOM 541 N LEU A 70 27.000 31.943 23.086 1.00 3.85 N ATOM 542 CA LEU A 70 26.281 33.114 23.066 1.00 5.70 C ATOM 543 C LEU A 70 26.991 34.280 23.900 1.00 15.95 C ATOM 544 O LEU A 70 27.039 35.464 23.470 1.00 12.74 O ATOM 545 CB LEU A 70 24.824 32.749 23.584 1.00 10.15 C ATOM 546 CG LEU A 70 23.907 31.931 22.548 1.00 6.84 C ATOM 547 CD1 LEU A 70 22.481 31.468 23.118 1.00 24.77 C ATOM 548 CD2 LEU A 70 23.857 32.730 21.239 1.00 23.91 C ATOM 0 H LEU A 70 26.657 31.280 23.512 1.00 3.85 H new ATOM 0 HA LEU A 70 26.229 33.481 22.170 1.00 5.70 H new ATOM 0 HB2 LEU A 70 24.908 32.229 24.398 1.00 10.15 H new ATOM 0 HB3 LEU A 70 24.366 33.571 23.819 1.00 10.15 H new ATOM 0 HG LEU A 70 24.316 31.068 22.377 1.00 6.84 H new ATOM 0 HD11 LEU A 70 21.999 30.984 22.429 1.00 24.77 H new ATOM 0 HD12 LEU A 70 22.611 30.891 23.887 1.00 24.77 H new ATOM 0 HD13 LEU A 70 21.969 32.248 23.383 1.00 24.77 H new ATOM 0 HD21 LEU A 70 23.308 32.259 20.593 1.00 23.91 H new ATOM 0 HD22 LEU A 70 23.476 33.606 21.409 1.00 23.91 H new ATOM 0 HD23 LEU A 70 24.755 32.832 20.887 1.00 23.91 H new ATOM 549 N VAL A 71 27.553 33.958 25.023 1.00 9.87 N ATOM 550 CA VAL A 71 28.317 35.031 25.842 1.00 11.06 C ATOM 551 C VAL A 71 29.629 35.671 25.166 1.00 15.97 C ATOM 552 O VAL A 71 29.971 36.936 25.178 1.00 15.95 O ATOM 553 CB VAL A 71 28.590 34.516 27.251 1.00 7.93 C ATOM 554 CG1 VAL A 71 29.478 35.612 28.081 1.00 13.30 C ATOM 555 CG2 VAL A 71 27.258 34.000 27.994 1.00 4.62 C ATOM 0 H VAL A 71 27.541 33.171 25.371 1.00 9.87 H new ATOM 0 HA VAL A 71 27.714 35.790 25.871 1.00 11.06 H new ATOM 0 HB VAL A 71 29.132 33.713 27.199 1.00 7.93 H new ATOM 0 HG11 VAL A 71 29.649 35.279 28.976 1.00 13.30 H new ATOM 0 HG12 VAL A 71 30.321 35.758 27.625 1.00 13.30 H new ATOM 0 HG13 VAL A 71 28.991 36.449 28.135 1.00 13.30 H new ATOM 0 HG21 VAL A 71 27.485 33.684 28.883 1.00 4.62 H new ATOM 0 HG22 VAL A 71 26.622 34.730 28.063 1.00 4.62 H new ATOM 0 HG23 VAL A 71 26.863 33.275 27.485 1.00 4.62 H new ATOM 556 N TYR A 72 30.249 34.823 24.472 1.00 20.78 N ATOM 557 CA TYR A 72 31.447 35.268 23.644 1.00 20.81 C ATOM 558 C TYR A 72 31.126 36.179 22.500 1.00 25.56 C ATOM 559 O TYR A 72 31.888 37.277 22.273 1.00 22.87 O ATOM 560 CB TYR A 72 32.054 34.022 23.141 1.00 13.09 C ATOM 561 CG TYR A 72 32.847 34.257 21.820 1.00 8.73 C ATOM 562 CD1 TYR A 72 32.323 33.594 20.686 1.00 21.01 C ATOM 563 CD2 TYR A 72 34.051 35.134 21.755 1.00 15.89 C ATOM 564 CE1 TYR A 72 32.996 33.803 19.477 1.00 21.64 C ATOM 565 CE2 TYR A 72 34.730 35.354 20.547 1.00 23.61 C ATOM 566 CZ TYR A 72 34.198 34.685 19.411 1.00 21.85 C ATOM 567 OH TYR A 72 34.898 34.894 18.161 1.00 30.32 O ATOM 0 H TYR A 72 30.053 33.987 24.420 1.00 20.78 H new ATOM 0 HA TYR A 72 32.036 35.796 24.205 1.00 20.81 H new ATOM 0 HB2 TYR A 72 32.649 33.657 23.815 1.00 13.09 H new ATOM 0 HB3 TYR A 72 31.359 33.362 22.988 1.00 13.09 H new ATOM 0 HD1 TYR A 72 31.572 33.049 20.741 1.00 21.01 H new ATOM 0 HD2 TYR A 72 34.358 35.544 22.531 1.00 15.89 H new ATOM 0 HE1 TYR A 72 32.690 33.386 18.704 1.00 21.64 H new ATOM 0 HE2 TYR A 72 35.479 35.902 20.493 1.00 23.61 H new ATOM 0 HH TYR A 72 35.547 35.412 18.286 1.00 30.32 H new ATOM 568 N GLU A 73 29.992 35.781 21.848 1.00 19.72 N ATOM 569 CA GLU A 73 29.604 36.590 20.732 1.00 20.67 C ATOM 570 C GLU A 73 29.199 37.929 21.176 1.00 19.63 C ATOM 571 O GLU A 73 29.543 38.968 20.475 1.00 19.05 O ATOM 572 CB GLU A 73 28.455 35.793 19.910 1.00 19.12 C ATOM 573 CG GLU A 73 28.939 34.608 19.175 1.00 29.33 C ATOM 574 CD GLU A 73 27.760 33.844 18.386 1.00 48.76 C ATOM 575 OE1 GLU A 73 27.997 33.032 17.488 1.00 35.98 O ATOM 576 OE2 GLU A 73 26.613 34.217 18.436 1.00 36.90 O ATOM 0 H GLU A 73 29.495 35.105 22.037 1.00 19.72 H new ATOM 0 HA GLU A 73 30.350 36.741 20.131 1.00 20.67 H new ATOM 0 HB2 GLU A 73 27.764 35.514 20.531 1.00 19.12 H new ATOM 0 HB3 GLU A 73 28.041 36.404 19.280 1.00 19.12 H new ATOM 0 HG2 GLU A 73 29.623 34.881 18.543 1.00 29.33 H new ATOM 0 HG3 GLU A 73 29.357 33.994 19.798 1.00 29.33 H new ATOM 577 N ALA A 74 28.580 37.900 22.343 1.00 11.87 N ATOM 578 CA ALA A 74 28.206 39.119 22.973 1.00 12.13 C ATOM 579 C ALA A 74 29.456 40.141 23.270 1.00 12.47 C ATOM 580 O ALA A 74 29.432 41.379 23.086 1.00 13.31 O ATOM 581 CB ALA A 74 27.473 38.768 24.311 1.00 19.16 C ATOM 0 H ALA A 74 28.374 37.185 22.774 1.00 11.87 H new ATOM 0 HA ALA A 74 27.628 39.596 22.357 1.00 12.13 H new ATOM 0 HB1 ALA A 74 27.208 39.586 24.759 1.00 19.16 H new ATOM 0 HB2 ALA A 74 26.685 38.235 24.119 1.00 19.16 H new ATOM 0 HB3 ALA A 74 28.071 38.264 24.885 1.00 19.16 H new ATOM 582 N ALA A 75 30.509 39.602 23.681 1.00 17.23 N ATOM 583 CA ALA A 75 31.811 40.422 24.023 1.00 10.58 C ATOM 584 C ALA A 75 32.523 41.110 22.802 1.00 10.16 C ATOM 585 O ALA A 75 33.027 42.340 22.846 1.00 15.79 O ATOM 586 CB ALA A 75 32.755 39.558 24.716 1.00 4.95 C ATOM 0 H ALA A 75 30.590 38.754 23.803 1.00 17.23 H new ATOM 0 HA ALA A 75 31.512 41.155 24.584 1.00 10.58 H new ATOM 0 HB1 ALA A 75 33.558 40.060 24.928 1.00 4.95 H new ATOM 0 HB2 ALA A 75 32.353 39.231 25.536 1.00 4.95 H new ATOM 0 HB3 ALA A 75 32.985 38.807 24.147 1.00 4.95 H new ATOM 587 N ILE A 76 32.441 40.379 21.710 1.00 15.45 N ATOM 588 CA ILE A 76 32.982 40.973 20.440 1.00 11.07 C ATOM 589 C ILE A 76 32.148 42.021 19.922 1.00 22.74 C ATOM 590 O ILE A 76 32.714 43.162 19.535 1.00 20.92 O ATOM 591 CB ILE A 76 33.003 39.847 19.395 1.00 20.36 C ATOM 592 CG1 ILE A 76 33.865 38.794 19.887 1.00 19.19 C ATOM 593 CG2 ILE A 76 33.493 40.407 18.016 1.00 9.25 C ATOM 594 CD1 ILE A 76 35.374 39.394 19.972 1.00 17.58 C ATOM 0 H ILE A 76 32.106 39.589 21.652 1.00 15.45 H new ATOM 0 HA ILE A 76 33.857 41.349 20.625 1.00 11.07 H new ATOM 0 HB ILE A 76 32.113 39.486 19.256 1.00 20.36 H new ATOM 0 HG12 ILE A 76 33.569 38.491 20.760 1.00 19.19 H new ATOM 0 HG13 ILE A 76 33.836 38.026 19.295 1.00 19.19 H new ATOM 0 HG21 ILE A 76 33.504 39.691 17.361 1.00 9.25 H new ATOM 0 HG22 ILE A 76 32.891 41.107 17.719 1.00 9.25 H new ATOM 0 HG23 ILE A 76 34.388 40.769 18.113 1.00 9.25 H new ATOM 0 HD11 ILE A 76 35.977 38.709 20.300 1.00 17.58 H new ATOM 0 HD12 ILE A 76 35.659 39.680 19.090 1.00 17.58 H new ATOM 0 HD13 ILE A 76 35.387 40.152 20.577 1.00 17.58 H new ATOM 595 N GLN A 77 30.838 41.683 20.033 1.00 9.74 N ATOM 596 CA GLN A 77 29.920 42.600 19.603 1.00 3.32 C ATOM 597 C GLN A 77 30.060 43.901 20.422 1.00 9.91 C ATOM 598 O GLN A 77 30.172 45.010 19.822 1.00 19.28 O ATOM 599 CB GLN A 77 28.452 41.872 19.602 1.00 9.05 C ATOM 600 CG GLN A 77 27.500 42.715 18.898 1.00 16.19 C ATOM 601 CD GLN A 77 26.189 41.788 18.582 1.00 19.62 C ATOM 602 OE1 GLN A 77 25.911 41.447 17.393 1.00 20.41 O ATOM 603 NE2 GLN A 77 25.407 41.427 19.613 1.00 8.16 N ATOM 0 H GLN A 77 30.527 40.946 20.348 1.00 9.74 H new ATOM 0 HA GLN A 77 30.064 42.894 18.690 1.00 3.32 H new ATOM 0 HB2 GLN A 77 28.510 41.004 19.174 1.00 9.05 H new ATOM 0 HB3 GLN A 77 28.154 41.720 20.512 1.00 9.05 H new ATOM 0 HG2 GLN A 77 27.256 43.483 19.438 1.00 16.19 H new ATOM 0 HG3 GLN A 77 27.886 43.057 18.076 1.00 16.19 H new ATOM 0 HE21 GLN A 77 25.612 41.668 20.413 1.00 8.16 H new ATOM 0 HE22 GLN A 77 24.702 40.955 19.473 1.00 8.16 H new ATOM 604 N LEU A 78 30.287 43.798 21.710 1.00 11.13 N ATOM 605 CA LEU A 78 30.610 45.010 22.557 1.00 8.37 C ATOM 606 C LEU A 78 31.935 45.859 22.135 1.00 12.60 C ATOM 607 O LEU A 78 32.023 47.120 22.066 1.00 17.00 O ATOM 608 CB LEU A 78 30.769 44.612 24.024 1.00 10.91 C ATOM 609 CG LEU A 78 29.420 44.266 24.767 1.00 13.07 C ATOM 610 CD1 LEU A 78 29.641 43.552 26.099 1.00 22.27 C ATOM 611 CD2 LEU A 78 28.753 45.540 24.997 1.00 5.21 C ATOM 0 H LEU A 78 30.267 43.056 22.144 1.00 11.13 H new ATOM 0 HA LEU A 78 29.850 45.593 22.405 1.00 8.37 H new ATOM 0 HB2 LEU A 78 31.358 43.843 24.075 1.00 10.91 H new ATOM 0 HB3 LEU A 78 31.207 45.337 24.497 1.00 10.91 H new ATOM 0 HG LEU A 78 28.895 43.658 24.224 1.00 13.07 H new ATOM 0 HD11 LEU A 78 28.784 43.364 26.512 1.00 22.27 H new ATOM 0 HD12 LEU A 78 30.115 42.720 25.946 1.00 22.27 H new ATOM 0 HD13 LEU A 78 30.165 44.118 26.687 1.00 22.27 H new ATOM 0 HD21 LEU A 78 27.911 45.387 25.454 1.00 5.21 H new ATOM 0 HD22 LEU A 78 29.319 46.108 25.543 1.00 5.21 H new ATOM 0 HD23 LEU A 78 28.584 45.975 24.147 1.00 5.21 H new ATOM 612 N GLU A 79 32.915 45.187 21.825 1.00 10.34 N ATOM 613 CA GLU A 79 34.239 45.911 21.450 1.00 8.63 C ATOM 614 C GLU A 79 34.190 46.667 20.133 1.00 14.67 C ATOM 615 O GLU A 79 34.712 47.886 20.054 1.00 21.14 O ATOM 616 CB GLU A 79 35.294 44.936 21.432 1.00 20.66 C ATOM 617 CG GLU A 79 36.770 45.646 21.312 1.00 12.56 C ATOM 618 CD GLU A 79 37.244 45.631 19.863 1.00 30.03 C ATOM 619 OE1 GLU A 79 36.889 44.589 19.166 1.00 37.02 O ATOM 620 OE2 GLU A 79 37.594 46.743 19.281 1.00 28.35 O ATOM 0 H GLU A 79 32.939 44.328 21.795 1.00 10.34 H new ATOM 0 HA GLU A 79 34.396 46.592 22.122 1.00 8.63 H new ATOM 0 HB2 GLU A 79 35.256 44.402 22.241 1.00 20.66 H new ATOM 0 HB3 GLU A 79 35.164 44.331 20.685 1.00 20.66 H new ATOM 0 HG2 GLU A 79 36.724 46.559 21.635 1.00 12.56 H new ATOM 0 HG3 GLU A 79 37.408 45.178 21.873 1.00 12.56 H new ATOM 621 N VAL A 80 33.496 45.989 19.180 1.00 11.99 N ATOM 622 CA VAL A 80 33.330 46.555 17.850 1.00 17.96 C ATOM 623 C VAL A 80 32.381 47.614 17.802 1.00 20.45 C ATOM 624 O VAL A 80 32.688 48.670 17.118 1.00 24.53 O ATOM 625 CB VAL A 80 32.856 45.405 16.855 1.00 8.65 C ATOM 626 CG1 VAL A 80 32.568 45.944 15.458 1.00 14.76 C ATOM 627 CG2 VAL A 80 33.922 44.451 16.756 1.00 9.12 C ATOM 0 H VAL A 80 33.129 45.220 19.297 1.00 11.99 H new ATOM 0 HA VAL A 80 34.189 46.925 17.592 1.00 17.96 H new ATOM 0 HB VAL A 80 32.039 45.012 17.201 1.00 8.65 H new ATOM 0 HG11 VAL A 80 32.283 45.217 14.883 1.00 14.76 H new ATOM 0 HG12 VAL A 80 31.866 46.611 15.507 1.00 14.76 H new ATOM 0 HG13 VAL A 80 33.372 46.347 15.094 1.00 14.76 H new ATOM 0 HG21 VAL A 80 33.662 43.736 16.154 1.00 9.12 H new ATOM 0 HG22 VAL A 80 34.717 44.888 16.413 1.00 9.12 H new ATOM 0 HG23 VAL A 80 34.109 44.083 17.634 1.00 9.12 H new ATOM 628 N THR A 81 31.174 47.244 18.295 1.00 12.12 N ATOM 629 CA THR A 81 30.100 48.044 18.026 1.00 7.39 C ATOM 630 C THR A 81 29.882 48.949 19.194 1.00 3.00 C ATOM 631 O THR A 81 29.270 49.935 19.006 1.00 16.35 O ATOM 632 CB THR A 81 28.756 47.128 17.715 1.00 7.51 C ATOM 633 OG1 THR A 81 28.246 46.445 18.907 1.00 19.04 O ATOM 634 CG2 THR A 81 28.892 46.088 16.607 1.00 7.95 C ATOM 0 H THR A 81 31.016 46.543 18.768 1.00 12.12 H new ATOM 0 HA THR A 81 30.271 48.577 17.234 1.00 7.39 H new ATOM 0 HB THR A 81 28.130 47.801 17.404 1.00 7.51 H new ATOM 0 HG1 THR A 81 28.887 46.109 19.333 1.00 19.04 H new ATOM 0 HG21 THR A 81 28.054 45.610 16.507 1.00 7.95 H new ATOM 0 HG22 THR A 81 29.113 46.531 15.773 1.00 7.95 H new ATOM 0 HG23 THR A 81 29.596 45.461 16.836 1.00 7.95 H new ATOM 635 N GLY A 82 30.244 48.546 20.372 1.00 11.78 N ATOM 636 CA GLY A 82 29.974 49.275 21.596 1.00 18.63 C ATOM 637 C GLY A 82 28.693 48.648 22.331 1.00 13.00 C ATOM 638 O GLY A 82 28.400 49.100 23.448 1.00 19.79 O ATOM 0 H GLY A 82 30.672 47.811 20.501 1.00 11.78 H new ATOM 0 HA2 GLY A 82 30.745 49.235 22.183 1.00 18.63 H new ATOM 0 HA3 GLY A 82 29.817 50.211 21.397 1.00 18.63 H new ATOM 639 N VAL A 83 27.876 47.722 21.686 1.00 19.62 N ATOM 640 CA VAL A 83 26.585 47.095 22.277 1.00 23.22 C ATOM 641 C VAL A 83 26.359 45.552 22.151 1.00 23.66 C ATOM 642 O VAL A 83 26.922 45.010 21.216 1.00 25.12 O ATOM 643 CB VAL A 83 25.393 47.666 21.606 1.00 13.59 C ATOM 644 CG1 VAL A 83 25.429 49.196 21.823 1.00 15.60 C ATOM 645 CG2 VAL A 83 25.226 47.300 20.111 1.00 13.73 C ATOM 0 H VAL A 83 28.049 47.436 20.894 1.00 19.62 H new ATOM 0 HA VAL A 83 26.705 47.298 23.218 1.00 23.22 H new ATOM 0 HB VAL A 83 24.609 47.265 22.012 1.00 13.59 H new ATOM 0 HG11 VAL A 83 24.659 49.602 21.394 1.00 15.60 H new ATOM 0 HG12 VAL A 83 25.408 49.389 22.773 1.00 15.60 H new ATOM 0 HG13 VAL A 83 26.242 49.559 21.437 1.00 15.60 H new ATOM 0 HG21 VAL A 83 24.423 47.718 19.763 1.00 13.73 H new ATOM 0 HG22 VAL A 83 25.996 47.615 19.612 1.00 13.73 H new ATOM 0 HG23 VAL A 83 25.154 46.337 20.019 1.00 13.73 H new ATOM 646 N VAL A 84 25.359 44.896 22.869 1.00 19.12 N ATOM 647 CA VAL A 84 24.733 43.504 22.549 1.00 10.79 C ATOM 648 C VAL A 84 23.384 43.548 21.844 1.00 7.12 C ATOM 649 O VAL A 84 22.506 44.140 22.397 1.00 18.38 O ATOM 650 CB VAL A 84 24.501 42.607 23.817 1.00 12.90 C ATOM 651 CG1 VAL A 84 23.765 41.168 23.519 1.00 13.24 C ATOM 652 CG2 VAL A 84 25.818 42.549 24.599 1.00 19.00 C ATOM 0 H VAL A 84 25.012 45.248 23.573 1.00 19.12 H new ATOM 0 HA VAL A 84 25.408 43.130 21.962 1.00 10.79 H new ATOM 0 HB VAL A 84 23.833 43.016 24.389 1.00 12.90 H new ATOM 0 HG11 VAL A 84 23.661 40.679 24.350 1.00 13.24 H new ATOM 0 HG12 VAL A 84 22.893 41.326 23.126 1.00 13.24 H new ATOM 0 HG13 VAL A 84 24.307 40.648 22.905 1.00 13.24 H new ATOM 0 HG21 VAL A 84 25.701 41.999 25.390 1.00 19.00 H new ATOM 0 HG22 VAL A 84 26.511 42.166 24.039 1.00 19.00 H new ATOM 0 HG23 VAL A 84 26.077 43.445 24.864 1.00 19.00 H new ATOM 653 N VAL A 85 23.292 43.087 20.608 1.00 14.50 N ATOM 654 CA VAL A 85 22.117 43.121 19.729 1.00 21.50 C ATOM 655 C VAL A 85 21.000 41.917 19.936 1.00 21.82 C ATOM 656 O VAL A 85 21.219 40.730 19.708 1.00 21.31 O ATOM 657 CB VAL A 85 22.583 43.149 18.258 1.00 23.61 C ATOM 658 CG1 VAL A 85 21.441 43.311 17.259 1.00 24.60 C ATOM 659 CG2 VAL A 85 23.837 44.223 18.035 1.00 35.63 C ATOM 0 H VAL A 85 23.965 42.715 20.223 1.00 14.50 H new ATOM 0 HA VAL A 85 21.645 43.930 19.982 1.00 21.50 H new ATOM 0 HB VAL A 85 22.940 42.269 18.060 1.00 23.61 H new ATOM 0 HG11 VAL A 85 21.799 43.321 16.357 1.00 24.60 H new ATOM 0 HG12 VAL A 85 20.822 42.570 17.352 1.00 24.60 H new ATOM 0 HG13 VAL A 85 20.976 44.145 17.431 1.00 24.60 H new ATOM 0 HG21 VAL A 85 24.106 44.217 17.103 1.00 35.63 H new ATOM 0 HG22 VAL A 85 23.547 45.115 18.282 1.00 35.63 H new ATOM 0 HG23 VAL A 85 24.589 43.963 18.590 1.00 35.63 H new ATOM 660 N THR A 86 19.841 42.233 20.345 1.00 25.42 N ATOM 661 CA THR A 86 18.629 41.234 20.556 1.00 44.07 C ATOM 662 C THR A 86 18.027 40.705 19.229 1.00 25.41 C ATOM 663 O THR A 86 17.355 41.428 18.554 1.00 37.58 O ATOM 664 CB THR A 86 17.519 41.878 21.276 1.00 53.92 C ATOM 665 OG1 THR A 86 18.058 42.697 22.385 1.00 46.12 O ATOM 666 CG2 THR A 86 16.333 40.805 21.730 1.00 47.30 C ATOM 0 H THR A 86 19.635 43.045 20.541 1.00 25.42 H new ATOM 0 HA THR A 86 19.011 40.499 21.061 1.00 44.07 H new ATOM 0 HB THR A 86 17.059 42.480 20.670 1.00 53.92 H new ATOM 0 HG1 THR A 86 18.017 43.510 22.178 1.00 46.12 H new ATOM 0 HG21 THR A 86 15.629 41.280 22.199 1.00 47.30 H new ATOM 0 HG22 THR A 86 15.964 40.377 20.941 1.00 47.30 H new ATOM 0 HG23 THR A 86 16.713 40.131 22.315 1.00 47.30 H new ATOM 667 N ASP A 87 18.294 39.518 18.849 1.00 31.59 N ATOM 668 CA ASP A 87 17.694 38.882 17.626 1.00 17.20 C ATOM 669 C ASP A 87 16.555 37.720 17.907 1.00 37.47 C ATOM 670 O ASP A 87 16.163 37.489 19.091 1.00 37.37 O ATOM 671 CB ASP A 87 18.756 38.407 16.698 1.00 15.06 C ATOM 672 CG ASP A 87 19.241 37.152 17.269 1.00 44.96 C ATOM 673 OD1 ASP A 87 19.253 36.984 18.515 1.00 47.03 O ATOM 674 OD2 ASP A 87 20.043 36.590 16.573 1.00 44.58 O ATOM 0 H ASP A 87 18.838 39.003 19.271 1.00 31.59 H new ATOM 0 HA ASP A 87 17.192 39.594 17.199 1.00 17.20 H new ATOM 0 HB2 ASP A 87 18.404 38.271 15.804 1.00 15.06 H new ATOM 0 HB3 ASP A 87 19.472 39.057 16.625 1.00 15.06 H new ATOM 675 N ALA A 88 16.003 37.096 16.838 1.00 35.63 N ATOM 676 CA ALA A 88 14.847 36.006 16.890 1.00 45.38 C ATOM 677 C ALA A 88 15.083 34.914 17.884 1.00 49.41 C ATOM 678 O ALA A 88 14.179 34.461 18.710 1.00 41.68 O ATOM 679 CB ALA A 88 14.614 35.344 15.505 1.00 44.39 C ATOM 0 H ALA A 88 16.260 37.263 16.034 1.00 35.63 H new ATOM 0 HA ALA A 88 14.064 36.508 17.167 1.00 45.38 H new ATOM 0 HB1 ALA A 88 13.904 34.687 15.576 1.00 44.39 H new ATOM 0 HB2 ALA A 88 14.362 36.023 14.860 1.00 44.39 H new ATOM 0 HB3 ALA A 88 15.430 34.908 15.213 1.00 44.39 H new ATOM 680 N THR A 89 16.308 34.598 17.834 1.00 34.80 N ATOM 681 CA THR A 89 16.758 33.579 18.698 1.00 45.36 C ATOM 682 C THR A 89 16.661 33.932 20.168 1.00 40.60 C ATOM 683 O THR A 89 16.150 33.057 20.994 1.00 36.47 O ATOM 684 CB THR A 89 18.230 33.455 18.351 1.00 47.68 C ATOM 685 OG1 THR A 89 18.298 33.147 16.954 1.00 50.05 O ATOM 686 CG2 THR A 89 18.790 32.374 19.193 1.00 41.34 C ATOM 0 H THR A 89 16.900 34.949 17.318 1.00 34.80 H new ATOM 0 HA THR A 89 16.221 32.780 18.580 1.00 45.36 H new ATOM 0 HB THR A 89 18.739 34.263 18.518 1.00 47.68 H new ATOM 0 HG1 THR A 89 18.499 33.840 16.524 1.00 50.05 H new ATOM 0 HG21 THR A 89 19.734 32.267 18.997 1.00 41.34 H new ATOM 0 HG22 THR A 89 18.679 32.602 20.129 1.00 41.34 H new ATOM 0 HG23 THR A 89 18.325 31.544 19.006 1.00 41.34 H new ATOM 687 N LEU A 90 17.118 35.181 20.482 1.00 31.17 N ATOM 688 CA LEU A 90 17.140 35.546 21.891 1.00 14.24 C ATOM 689 C LEU A 90 15.727 35.626 22.413 1.00 28.96 C ATOM 690 O LEU A 90 15.407 35.229 23.580 1.00 30.62 O ATOM 691 CB LEU A 90 18.128 36.853 22.170 1.00 11.36 C ATOM 692 CG LEU A 90 19.594 36.700 21.792 1.00 22.18 C ATOM 693 CD1 LEU A 90 20.602 37.961 22.174 1.00 32.38 C ATOM 694 CD2 LEU A 90 20.033 35.411 22.386 1.00 28.61 C ATOM 0 H LEU A 90 17.395 35.776 19.926 1.00 31.17 H new ATOM 0 HA LEU A 90 17.560 34.854 22.425 1.00 14.24 H new ATOM 0 HB2 LEU A 90 17.769 37.612 21.685 1.00 11.36 H new ATOM 0 HB3 LEU A 90 18.081 37.071 23.114 1.00 11.36 H new ATOM 0 HG LEU A 90 19.660 36.708 20.824 1.00 22.18 H new ATOM 0 HD11 LEU A 90 21.505 37.752 21.887 1.00 32.38 H new ATOM 0 HD12 LEU A 90 20.299 38.766 21.725 1.00 32.38 H new ATOM 0 HD13 LEU A 90 20.593 38.104 23.133 1.00 32.38 H new ATOM 0 HD21 LEU A 90 20.968 35.259 22.176 1.00 28.61 H new ATOM 0 HD22 LEU A 90 19.920 35.443 23.349 1.00 28.61 H new ATOM 0 HD23 LEU A 90 19.499 34.688 22.022 1.00 28.61 H new ATOM 695 N LYS A 91 14.883 35.979 21.512 1.00 29.56 N ATOM 696 CA LYS A 91 13.453 35.998 21.835 1.00 46.94 C ATOM 697 C LYS A 91 12.722 34.568 22.066 1.00 34.69 C ATOM 698 O LYS A 91 11.815 34.317 22.938 1.00 40.88 O ATOM 699 CB LYS A 91 12.731 36.665 20.708 1.00 43.69 C ATOM 700 CG LYS A 91 13.414 38.122 20.416 1.00 23.12 C ATOM 701 CD LYS A 91 12.601 38.848 19.416 0.00 0.00 C ATOM 702 CE LYS A 91 13.313 40.291 19.117 0.00 0.00 C ATOM 703 NZ LYS A 91 14.636 40.232 18.503 0.00 0.00 N ATOM 0 H LYS A 91 15.085 36.213 20.709 1.00 29.56 H new ATOM 0 HA LYS A 91 13.410 36.458 22.688 1.00 46.94 H new ATOM 0 HB2 LYS A 91 12.771 36.112 19.912 1.00 43.69 H new ATOM 0 HB3 LYS A 91 11.793 36.774 20.931 1.00 43.69 H new ATOM 0 HG2 LYS A 91 13.471 38.635 21.237 1.00 23.12 H new ATOM 0 HG3 LYS A 91 14.320 38.007 20.090 1.00 23.12 H new ATOM 0 HD2 LYS A 91 12.531 38.331 18.598 0.00 0.00 H new ATOM 0 HD3 LYS A 91 11.699 38.979 19.746 0.00 0.00 H new ATOM 0 HE2 LYS A 91 12.729 40.807 18.539 0.00 0.00 H new ATOM 0 HE3 LYS A 91 13.385 40.777 19.954 0.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.943 41.058 18.378 0.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.192 39.787 19.037 0.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.581 39.815 17.719 0.00 0.00 H new ATOM 704 N ASN A 92 13.202 33.645 21.376 1.00 26.14 N ATOM 705 CA ASN A 92 12.620 32.233 21.528 1.00 20.26 C ATOM 706 C ASN A 92 13.139 31.615 22.779 1.00 32.91 C ATOM 707 O ASN A 92 12.315 30.875 23.514 1.00 28.47 O ATOM 708 CB ASN A 92 12.905 31.412 20.294 1.00 40.01 C ATOM 709 CG ASN A 92 12.119 29.993 20.458 1.00 65.25 C ATOM 710 OD1 ASN A 92 10.848 29.859 20.502 1.00 56.11 O ATOM 711 ND2 ASN A 92 12.823 29.141 21.037 1.00 56.34 N ATOM 0 H ASN A 92 13.844 33.727 20.809 1.00 26.14 H new ATOM 0 HA ASN A 92 11.654 32.274 21.608 1.00 20.26 H new ATOM 0 HB2 ASN A 92 12.606 31.878 19.498 1.00 40.01 H new ATOM 0 HB3 ASN A 92 13.859 31.265 20.195 1.00 40.01 H new ATOM 0 HD21 ASN A 92 12.451 28.486 21.451 1.00 56.34 H new ATOM 0 HD22 ASN A 92 13.680 29.209 21.022 1.00 56.34 H new ATOM 712 N LEU A 93 14.420 32.060 23.074 1.00 18.25 N ATOM 713 CA LEU A 93 15.031 31.671 24.324 1.00 16.53 C ATOM 714 C LEU A 93 14.300 32.124 25.533 1.00 11.20 C ATOM 715 O LEU A 93 14.001 31.320 26.483 1.00 21.09 O ATOM 716 CB LEU A 93 16.556 32.203 24.460 1.00 19.45 C ATOM 717 CG LEU A 93 17.447 31.293 23.749 1.00 29.12 C ATOM 718 CD1 LEU A 93 18.958 31.739 24.051 1.00 32.23 C ATOM 719 CD2 LEU A 93 17.007 29.792 24.094 1.00 37.90 C ATOM 0 H LEU A 93 14.900 32.562 22.566 1.00 18.25 H new ATOM 0 HA LEU A 93 15.004 30.702 24.288 1.00 16.53 H new ATOM 0 HB2 LEU A 93 16.631 33.098 24.094 1.00 19.45 H new ATOM 0 HB3 LEU A 93 16.809 32.256 25.395 1.00 19.45 H new ATOM 0 HG LEU A 93 17.386 31.331 22.782 1.00 29.12 H new ATOM 0 HD11 LEU A 93 19.570 31.146 23.587 1.00 32.23 H new ATOM 0 HD12 LEU A 93 19.095 32.649 23.744 1.00 32.23 H new ATOM 0 HD13 LEU A 93 19.125 31.692 25.005 1.00 32.23 H new ATOM 0 HD21 LEU A 93 17.588 29.169 23.630 1.00 37.90 H new ATOM 0 HD22 LEU A 93 17.076 29.646 25.051 1.00 37.90 H new ATOM 0 HD23 LEU A 93 16.090 29.650 23.811 1.00 37.90 H new ATOM 720 N GLY A 94 13.863 33.285 25.416 1.00 24.14 N ATOM 721 CA GLY A 94 13.105 33.796 26.506 1.00 14.33 C ATOM 722 C GLY A 94 11.771 32.882 26.772 1.00 18.18 C ATOM 723 O GLY A 94 11.368 32.633 27.949 1.00 25.35 O ATOM 0 H GLY A 94 13.974 33.808 24.742 1.00 24.14 H new ATOM 0 HA2 GLY A 94 13.654 33.814 27.306 1.00 14.33 H new ATOM 0 HA3 GLY A 94 12.843 34.711 26.321 1.00 14.33 H new ATOM 724 N SER A 95 11.153 32.361 25.693 1.00 28.33 N ATOM 725 CA SER A 95 9.861 31.453 25.761 1.00 37.07 C ATOM 726 C SER A 95 10.003 30.109 26.420 1.00 38.12 C ATOM 727 O SER A 95 9.244 29.684 27.381 1.00 33.33 O ATOM 728 CB SER A 95 9.290 31.167 24.344 1.00 33.41 C ATOM 729 OG SER A 95 8.122 30.148 24.417 1.00 51.16 O ATOM 0 H SER A 95 11.431 32.495 24.890 1.00 28.33 H new ATOM 0 HA SER A 95 9.277 31.993 26.315 1.00 37.07 H new ATOM 0 HB2 SER A 95 8.979 31.994 23.943 1.00 33.41 H new ATOM 0 HB3 SER A 95 9.992 30.820 23.771 1.00 33.41 H new ATOM 0 HG SER A 95 7.825 30.006 23.644 1.00 51.16 H new ATOM 730 N VAL A 96 10.964 29.492 25.917 1.00 16.21 N ATOM 731 CA VAL A 96 11.241 28.199 26.458 1.00 14.20 C ATOM 732 C VAL A 96 11.616 28.243 27.938 1.00 38.49 C ATOM 733 O VAL A 96 11.137 27.273 28.682 1.00 28.28 O ATOM 734 CB VAL A 96 12.244 27.526 25.600 1.00 16.20 C ATOM 735 CG1 VAL A 96 13.377 28.513 24.953 1.00 44.81 C ATOM 736 CG2 VAL A 96 12.831 26.393 26.340 1.00 34.91 C ATOM 0 H VAL A 96 11.474 29.765 25.281 1.00 16.21 H new ATOM 0 HA VAL A 96 10.431 27.666 26.446 1.00 14.20 H new ATOM 0 HB VAL A 96 11.773 27.196 24.819 1.00 16.20 H new ATOM 0 HG11 VAL A 96 13.988 27.992 24.410 1.00 44.81 H new ATOM 0 HG12 VAL A 96 12.945 29.183 24.401 1.00 44.81 H new ATOM 0 HG13 VAL A 96 13.870 28.950 25.665 1.00 44.81 H new ATOM 0 HG21 VAL A 96 13.489 25.948 25.783 1.00 34.91 H new ATOM 0 HG22 VAL A 96 13.259 26.720 27.147 1.00 34.91 H new ATOM 0 HG23 VAL A 96 12.132 25.764 26.578 1.00 34.91 H new ATOM 737 N HIS A 97 12.323 29.374 28.386 1.00 23.98 N ATOM 738 CA HIS A 97 12.705 29.491 29.806 1.00 9.99 C ATOM 739 C HIS A 97 11.523 29.605 30.729 1.00 7.74 C ATOM 740 O HIS A 97 11.374 28.887 31.766 1.00 22.89 O ATOM 741 CB HIS A 97 13.865 30.656 30.077 1.00 25.86 C ATOM 742 CG HIS A 97 15.187 30.265 29.528 1.00 12.48 C ATOM 743 ND1 HIS A 97 15.714 30.730 28.294 1.00 25.54 N ATOM 744 CD2 HIS A 97 15.974 29.440 30.050 1.00 17.11 C ATOM 745 CE1 HIS A 97 16.877 30.166 28.050 1.00 20.36 C ATOM 746 NE2 HIS A 97 17.036 29.355 29.162 1.00 7.43 N ATOM 0 H HIS A 97 12.563 30.032 27.887 1.00 23.98 H new ATOM 0 HA HIS A 97 13.128 28.648 30.032 1.00 9.99 H new ATOM 0 HB2 HIS A 97 13.583 31.492 29.674 1.00 25.86 H new ATOM 0 HB3 HIS A 97 13.946 30.814 31.031 1.00 25.86 H new ATOM 0 HD1 HIS A 97 15.327 31.300 27.779 1.00 25.54 H new ATOM 0 HD2 HIS A 97 15.869 28.986 30.855 1.00 17.11 H new ATOM 0 HE1 HIS A 97 17.444 30.281 27.322 1.00 20.36 H new ATOM 747 N VAL A 98 10.660 30.373 30.281 1.00 12.21 N ATOM 748 CA VAL A 98 9.408 30.455 31.012 1.00 6.12 C ATOM 749 C VAL A 98 8.569 29.054 31.146 1.00 20.29 C ATOM 750 O VAL A 98 8.118 28.647 32.271 1.00 30.96 O ATOM 751 CB VAL A 98 8.596 31.428 30.293 1.00 5.76 C ATOM 752 CG1 VAL A 98 7.128 31.310 30.792 1.00 30.22 C ATOM 753 CG2 VAL A 98 9.310 32.894 30.421 1.00 12.90 C ATOM 0 H VAL A 98 10.729 30.864 29.578 1.00 12.21 H new ATOM 0 HA VAL A 98 9.615 30.699 31.928 1.00 6.12 H new ATOM 0 HB VAL A 98 8.543 31.265 29.338 1.00 5.76 H new ATOM 0 HG11 VAL A 98 6.574 31.952 30.322 1.00 30.22 H new ATOM 0 HG12 VAL A 98 6.799 30.414 30.621 1.00 30.22 H new ATOM 0 HG13 VAL A 98 7.094 31.490 31.745 1.00 30.22 H new ATOM 0 HG21 VAL A 98 8.781 33.554 29.947 1.00 12.90 H new ATOM 0 HG22 VAL A 98 9.374 33.143 31.356 1.00 12.90 H new ATOM 0 HG23 VAL A 98 10.199 32.856 30.036 1.00 12.90 H new ATOM 754 N SER A 99 8.544 28.286 30.073 1.00 24.48 N ATOM 755 CA SER A 99 7.792 26.901 30.012 1.00 25.24 C ATOM 756 C SER A 99 8.368 25.916 30.924 1.00 28.45 C ATOM 757 O SER A 99 7.582 25.070 31.586 1.00 35.53 O ATOM 758 CB SER A 99 7.770 26.349 28.578 1.00 32.10 C ATOM 759 OG SER A 99 7.222 27.263 27.701 1.00 56.01 O ATOM 0 H SER A 99 8.938 28.495 29.338 1.00 24.48 H new ATOM 0 HA SER A 99 6.880 27.066 30.299 1.00 25.24 H new ATOM 0 HB2 SER A 99 8.673 26.130 28.299 1.00 32.10 H new ATOM 0 HB3 SER A 99 7.258 25.526 28.553 1.00 32.10 H new ATOM 0 HG SER A 99 7.747 27.912 27.608 1.00 56.01 H new ATOM 760 N LYS A 100 9.693 26.071 31.001 1.00 23.75 N ATOM 761 CA LYS A 100 10.381 25.211 31.871 1.00 19.61 C ATOM 762 C LYS A 100 10.369 25.643 33.333 1.00 15.92 C ATOM 763 O LYS A 100 10.832 24.951 34.220 1.00 31.84 O ATOM 764 CB LYS A 100 11.846 25.211 31.397 1.00 22.36 C ATOM 765 CG LYS A 100 11.892 24.474 30.049 1.00 34.42 C ATOM 766 CD LYS A 100 11.382 22.945 30.177 1.00 44.11 C ATOM 767 CE LYS A 100 11.371 22.216 28.820 1.00 38.35 C ATOM 768 NZ LYS A 100 11.098 20.744 29.012 0.00 0.00 N ATOM 0 H LYS A 100 10.166 26.646 30.570 1.00 23.75 H new ATOM 0 HA LYS A 100 9.943 24.346 31.841 1.00 19.61 H new ATOM 0 HB2 LYS A 100 12.174 26.119 31.301 1.00 22.36 H new ATOM 0 HB3 LYS A 100 12.415 24.770 32.047 1.00 22.36 H new ATOM 0 HG2 LYS A 100 11.341 24.945 29.405 1.00 34.42 H new ATOM 0 HG3 LYS A 100 12.800 24.484 29.707 1.00 34.42 H new ATOM 0 HD2 LYS A 100 11.956 22.466 30.795 1.00 44.11 H new ATOM 0 HD3 LYS A 100 10.488 22.935 30.554 1.00 44.11 H new ATOM 0 HE2 LYS A 100 10.693 22.604 28.244 1.00 38.35 H new ATOM 0 HE3 LYS A 100 12.224 22.337 28.375 1.00 38.35 H new ATOM 0 HZ1 LYS A 100 11.095 20.337 28.221 0.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.732 20.389 29.525 0.00 0.00 H new ATOM 0 HZ3 LYS A 100 10.306 20.637 29.403 0.00 0.00 H new ATOM 769 N GLY A 101 9.759 26.692 33.585 1.00 33.00 N ATOM 770 CA GLY A 101 9.600 27.166 34.958 1.00 15.78 C ATOM 771 C GLY A 101 10.912 27.904 35.554 1.00 20.55 C ATOM 772 O GLY A 101 11.044 28.014 36.801 1.00 19.10 O ATOM 0 H GLY A 101 9.399 27.196 32.988 1.00 33.00 H new ATOM 0 HA2 GLY A 101 8.850 27.780 34.994 1.00 15.78 H new ATOM 0 HA3 GLY A 101 9.377 26.413 35.527 1.00 15.78 H new ATOM 773 N VAL A 102 11.805 28.486 34.683 1.00 23.07 N ATOM 774 CA VAL A 102 13.048 29.360 35.092 1.00 12.34 C ATOM 775 C VAL A 102 12.743 30.759 35.466 1.00 9.49 C ATOM 776 O VAL A 102 12.022 31.328 34.695 1.00 21.00 O ATOM 777 CB VAL A 102 14.059 29.494 33.921 1.00 19.85 C ATOM 778 CG1 VAL A 102 15.342 30.524 34.200 1.00 14.37 C ATOM 779 CG2 VAL A 102 14.409 28.105 33.508 1.00 13.42 C ATOM 0 H VAL A 102 11.729 28.400 33.831 1.00 23.07 H new ATOM 0 HA VAL A 102 13.396 28.880 35.860 1.00 12.34 H new ATOM 0 HB VAL A 102 13.650 29.959 33.174 1.00 19.85 H new ATOM 0 HG11 VAL A 102 15.917 30.544 33.419 1.00 14.37 H new ATOM 0 HG12 VAL A 102 15.008 31.417 34.378 1.00 14.37 H new ATOM 0 HG13 VAL A 102 15.848 30.210 34.966 1.00 14.37 H new ATOM 0 HG21 VAL A 102 15.042 28.135 32.774 1.00 13.42 H new ATOM 0 HG22 VAL A 102 14.806 27.635 34.258 1.00 13.42 H new ATOM 0 HG23 VAL A 102 13.607 27.640 33.223 1.00 13.42 H new ATOM 780 N ALA A 103 13.281 31.309 36.571 1.00 9.47 N ATOM 781 CA ALA A 103 13.168 32.695 37.000 1.00 3.22 C ATOM 782 C ALA A 103 14.538 33.611 37.018 1.00 13.49 C ATOM 783 O ALA A 103 15.601 33.104 36.860 1.00 10.96 O ATOM 784 CB ALA A 103 12.559 32.656 38.413 1.00 6.15 C ATOM 0 H ALA A 103 13.751 30.841 37.119 1.00 9.47 H new ATOM 0 HA ALA A 103 12.626 33.141 36.330 1.00 3.22 H new ATOM 0 HB1 ALA A 103 12.461 33.561 38.749 1.00 6.15 H new ATOM 0 HB2 ALA A 103 11.689 32.229 38.379 1.00 6.15 H new ATOM 0 HB3 ALA A 103 13.142 32.154 39.003 1.00 6.15 H new ATOM 785 N ASP A 104 14.505 34.917 37.177 1.00 9.46 N ATOM 786 CA ASP A 104 15.720 35.944 37.264 1.00 11.43 C ATOM 787 C ASP A 104 16.753 35.615 38.293 1.00 17.00 C ATOM 788 O ASP A 104 17.994 35.949 38.068 1.00 24.70 O ATOM 789 CB ASP A 104 15.323 37.327 37.635 1.00 19.12 C ATOM 790 CG ASP A 104 14.610 37.897 36.463 1.00 30.65 C ATOM 791 OD1 ASP A 104 14.125 38.977 36.607 1.00 43.98 O ATOM 792 OD2 ASP A 104 14.270 37.172 35.459 1.00 45.16 O ATOM 0 H ASP A 104 13.751 35.325 37.249 1.00 9.46 H new ATOM 0 HA ASP A 104 16.066 35.876 36.360 1.00 11.43 H new ATOM 0 HB2 ASP A 104 14.750 37.322 38.418 1.00 19.12 H new ATOM 0 HB3 ASP A 104 16.102 37.861 37.857 1.00 19.12 H new ATOM 793 N ALA A 105 16.262 35.043 39.413 1.00 5.93 N ATOM 794 CA ALA A 105 17.138 34.741 40.513 1.00 8.65 C ATOM 795 C ALA A 105 17.906 33.569 40.213 1.00 6.32 C ATOM 796 O ALA A 105 18.940 33.436 40.881 1.00 18.12 O ATOM 797 CB ALA A 105 16.338 34.471 41.819 1.00 8.46 C ATOM 0 H ALA A 105 15.437 34.833 39.535 1.00 5.93 H new ATOM 0 HA ALA A 105 17.715 35.509 40.645 1.00 8.65 H new ATOM 0 HB1 ALA A 105 16.954 34.271 42.541 1.00 8.46 H new ATOM 0 HB2 ALA A 105 15.817 35.257 42.048 1.00 8.46 H new ATOM 0 HB3 ALA A 105 15.743 33.717 41.684 1.00 8.46 H new ATOM 798 N HIS A 106 17.560 32.900 39.103 1.00 11.96 N ATOM 799 CA HIS A 106 18.325 31.857 38.619 1.00 15.70 C ATOM 800 C HIS A 106 19.680 32.425 37.986 1.00 23.46 C ATOM 801 O HIS A 106 20.645 31.758 38.053 1.00 17.05 O ATOM 802 CB HIS A 106 17.493 30.904 37.615 1.00 22.28 C ATOM 803 CG HIS A 106 16.480 29.820 38.322 1.00 12.67 C ATOM 804 ND1 HIS A 106 15.092 29.656 38.049 1.00 15.61 N ATOM 805 CD2 HIS A 106 16.714 28.900 39.234 1.00 21.39 C ATOM 806 CE1 HIS A 106 14.457 28.587 38.840 1.00 20.81 C ATOM 807 NE2 HIS A 106 15.482 28.115 39.586 1.00 16.74 N ATOM 0 H HIS A 106 16.859 33.074 38.636 1.00 11.96 H new ATOM 0 HA HIS A 106 18.571 31.280 39.359 1.00 15.70 H new ATOM 0 HB2 HIS A 106 16.972 31.467 37.021 1.00 22.28 H new ATOM 0 HB3 HIS A 106 18.124 30.417 37.063 1.00 22.28 H new ATOM 0 HD2 HIS A 106 17.548 28.752 39.617 1.00 21.39 H new ATOM 0 HE1 HIS A 106 13.570 28.306 38.829 1.00 20.81 H new ATOM 0 HE2 HIS A 106 15.436 27.477 40.161 1.00 16.74 H new ATOM 808 N PHE A 107 19.706 33.554 37.306 1.00 22.41 N ATOM 809 CA PHE A 107 20.902 34.174 36.527 1.00 27.89 C ATOM 810 C PHE A 107 22.297 34.326 37.194 1.00 3.71 C ATOM 811 O PHE A 107 23.247 33.923 36.569 1.00 9.16 O ATOM 812 CB PHE A 107 20.676 35.424 35.697 1.00 12.06 C ATOM 813 CG PHE A 107 19.699 35.038 34.519 1.00 4.43 C ATOM 814 CD1 PHE A 107 18.321 34.842 34.724 1.00 13.72 C ATOM 815 CD2 PHE A 107 20.205 34.823 33.267 1.00 13.46 C ATOM 816 CE1 PHE A 107 17.439 34.423 33.680 1.00 17.14 C ATOM 817 CE2 PHE A 107 19.331 34.405 32.216 1.00 15.61 C ATOM 818 CZ PHE A 107 17.942 34.199 32.425 1.00 7.29 C ATOM 0 H PHE A 107 19.005 34.050 37.252 1.00 22.41 H new ATOM 0 HA PHE A 107 20.931 33.392 35.954 1.00 27.89 H new ATOM 0 HB2 PHE A 107 20.293 36.130 36.241 1.00 12.06 H new ATOM 0 HB3 PHE A 107 21.517 35.759 35.348 1.00 12.06 H new ATOM 0 HD1 PHE A 107 17.970 34.991 35.572 1.00 13.72 H new ATOM 0 HD2 PHE A 107 21.111 34.948 33.100 1.00 13.46 H new ATOM 0 HE1 PHE A 107 16.533 34.304 33.851 1.00 17.14 H new ATOM 0 HE2 PHE A 107 19.684 34.263 31.367 1.00 15.61 H new ATOM 0 HZ PHE A 107 17.390 33.920 31.731 1.00 7.29 H new ATOM 819 N PRO A 108 22.443 34.748 38.447 1.00 13.46 N ATOM 820 CA PRO A 108 23.739 34.802 39.149 1.00 6.00 C ATOM 821 C PRO A 108 24.207 33.434 39.364 1.00 22.85 C ATOM 822 O PRO A 108 25.456 33.396 39.424 1.00 16.27 O ATOM 823 CB PRO A 108 23.620 35.510 40.495 1.00 21.93 C ATOM 824 CG PRO A 108 22.263 36.032 40.487 1.00 4.95 C ATOM 825 CD PRO A 108 21.504 35.426 39.252 1.00 3.00 C ATOM 0 HA PRO A 108 24.366 35.303 38.604 1.00 6.00 H new ATOM 0 HB2 PRO A 108 23.763 34.898 41.234 1.00 21.93 H new ATOM 0 HB3 PRO A 108 24.275 36.220 40.584 1.00 21.93 H new ATOM 0 HG2 PRO A 108 21.807 35.799 41.311 1.00 4.95 H new ATOM 0 HG3 PRO A 108 22.275 37.000 40.434 1.00 4.95 H new ATOM 0 HD2 PRO A 108 20.809 34.817 39.547 1.00 3.00 H new ATOM 0 HD3 PRO A 108 21.068 36.129 38.745 1.00 3.00 H new ATOM 826 N VAL A 109 23.255 32.353 39.423 1.00 12.36 N ATOM 827 CA VAL A 109 23.611 30.979 39.538 1.00 7.65 C ATOM 828 C VAL A 109 24.401 30.625 38.322 1.00 15.18 C ATOM 829 O VAL A 109 25.560 30.298 38.467 1.00 21.46 O ATOM 830 CB VAL A 109 22.350 29.893 39.705 1.00 22.72 C ATOM 831 CG1 VAL A 109 22.680 28.433 39.639 1.00 7.74 C ATOM 832 CG2 VAL A 109 21.555 30.123 40.979 1.00 12.74 C ATOM 0 H VAL A 109 22.405 32.481 39.391 1.00 12.36 H new ATOM 0 HA VAL A 109 24.106 30.897 40.368 1.00 7.65 H new ATOM 0 HB VAL A 109 21.833 30.092 38.909 1.00 22.72 H new ATOM 0 HG11 VAL A 109 21.869 27.912 39.749 1.00 7.74 H new ATOM 0 HG12 VAL A 109 23.080 28.230 38.779 1.00 7.74 H new ATOM 0 HG13 VAL A 109 23.305 28.210 40.347 1.00 7.74 H new ATOM 0 HG21 VAL A 109 20.837 29.473 41.034 1.00 12.74 H new ATOM 0 HG22 VAL A 109 22.139 30.025 41.747 1.00 12.74 H new ATOM 0 HG23 VAL A 109 21.181 31.018 40.970 1.00 12.74 H new ATOM 833 N VAL A 110 23.809 30.751 37.162 1.00 12.49 N ATOM 834 CA VAL A 110 24.465 30.416 35.922 1.00 20.31 C ATOM 835 C VAL A 110 25.771 31.380 35.647 1.00 9.03 C ATOM 836 O VAL A 110 26.804 30.922 35.247 1.00 14.47 O ATOM 837 CB VAL A 110 23.466 30.294 34.732 1.00 22.59 C ATOM 838 CG1 VAL A 110 24.148 30.189 33.359 1.00 12.40 C ATOM 839 CG2 VAL A 110 22.318 29.100 34.934 1.00 3.00 C ATOM 0 H VAL A 110 23.004 31.037 37.067 1.00 12.49 H new ATOM 0 HA VAL A 110 24.831 29.522 36.008 1.00 20.31 H new ATOM 0 HB VAL A 110 22.991 31.139 34.743 1.00 22.59 H new ATOM 0 HG11 VAL A 110 23.473 30.116 32.667 1.00 12.40 H new ATOM 0 HG12 VAL A 110 24.686 30.981 33.203 1.00 12.40 H new ATOM 0 HG13 VAL A 110 24.717 29.403 33.339 1.00 12.40 H new ATOM 0 HG21 VAL A 110 21.733 29.080 34.161 1.00 3.00 H new ATOM 0 HG22 VAL A 110 22.758 28.241 35.029 1.00 3.00 H new ATOM 0 HG23 VAL A 110 21.795 29.285 35.730 1.00 3.00 H new ATOM 840 N LYS A 111 25.794 32.626 36.084 1.00 12.97 N ATOM 841 CA LYS A 111 27.026 33.633 35.990 1.00 7.03 C ATOM 842 C LYS A 111 28.223 33.217 36.741 1.00 7.09 C ATOM 843 O LYS A 111 29.316 33.168 36.129 1.00 11.26 O ATOM 844 CB LYS A 111 26.731 34.990 36.546 1.00 5.47 C ATOM 845 CG LYS A 111 27.914 36.161 36.400 1.00 18.40 C ATOM 846 CD LYS A 111 27.447 37.471 36.903 1.00 6.93 C ATOM 847 CE LYS A 111 28.547 38.713 36.824 1.00 40.85 C ATOM 848 NZ LYS A 111 27.935 39.899 37.217 1.00 34.08 N ATOM 0 H LYS A 111 25.110 32.983 36.464 1.00 12.97 H new ATOM 0 HA LYS A 111 27.186 33.640 35.033 1.00 7.03 H new ATOM 0 HB2 LYS A 111 25.928 35.321 36.115 1.00 5.47 H new ATOM 0 HB3 LYS A 111 26.526 34.889 37.489 1.00 5.47 H new ATOM 0 HG2 LYS A 111 28.704 35.887 36.892 1.00 18.40 H new ATOM 0 HG3 LYS A 111 28.174 36.245 35.469 1.00 18.40 H new ATOM 0 HD2 LYS A 111 26.658 37.728 36.400 1.00 6.93 H new ATOM 0 HD3 LYS A 111 27.172 37.364 37.827 1.00 6.93 H new ATOM 0 HE2 LYS A 111 29.306 38.523 37.398 1.00 40.85 H new ATOM 0 HE3 LYS A 111 28.889 38.798 35.920 1.00 40.85 H new ATOM 0 HZ1 LYS A 111 28.524 40.565 37.175 1.00 34.08 H new ATOM 0 HZ2 LYS A 111 27.251 40.074 36.676 1.00 34.08 H new ATOM 0 HZ3 LYS A 111 27.639 39.818 38.052 1.00 34.08 H new ATOM 849 N GLU A 112 28.001 32.871 38.007 1.00 9.60 N ATOM 850 CA GLU A 112 29.095 32.453 38.800 1.00 3.00 C ATOM 851 C GLU A 112 29.552 31.166 38.286 1.00 7.15 C ATOM 852 O GLU A 112 30.792 31.083 38.238 1.00 15.05 O ATOM 853 CB GLU A 112 28.777 32.327 40.305 1.00 3.16 C ATOM 854 CG GLU A 112 28.499 33.670 40.918 1.00 33.43 C ATOM 855 CD GLU A 112 29.730 34.751 40.703 1.00 46.87 C ATOM 856 OE1 GLU A 112 30.895 34.478 40.940 1.00 23.27 O ATOM 857 OE2 GLU A 112 29.603 35.822 40.084 1.00 19.95 O ATOM 0 H GLU A 112 27.236 32.878 38.399 1.00 9.60 H new ATOM 0 HA GLU A 112 29.779 33.138 38.736 1.00 3.00 H new ATOM 0 HB2 GLU A 112 28.009 31.748 40.428 1.00 3.16 H new ATOM 0 HB3 GLU A 112 29.524 31.909 40.762 1.00 3.16 H new ATOM 0 HG2 GLU A 112 27.686 34.033 40.532 1.00 33.43 H new ATOM 0 HG3 GLU A 112 28.337 33.558 41.868 1.00 33.43 H new ATOM 858 N ALA A 113 28.578 30.261 37.815 1.00 13.60 N ATOM 859 CA ALA A 113 28.851 28.964 37.299 1.00 3.00 C ATOM 860 C ALA A 113 29.731 29.144 36.054 1.00 3.00 C ATOM 861 O ALA A 113 30.668 28.445 35.914 1.00 11.26 O ATOM 862 CB ALA A 113 27.509 28.049 36.969 1.00 11.59 C ATOM 0 H ALA A 113 27.739 30.450 37.814 1.00 13.60 H new ATOM 0 HA ALA A 113 29.307 28.456 37.988 1.00 3.00 H new ATOM 0 HB1 ALA A 113 27.783 27.185 36.623 1.00 11.59 H new ATOM 0 HB2 ALA A 113 26.995 27.923 37.782 1.00 11.59 H new ATOM 0 HB3 ALA A 113 26.962 28.502 36.308 1.00 11.59 H new ATOM 863 N ILE A 114 29.461 30.101 35.227 1.00 5.97 N ATOM 864 CA ILE A 114 30.255 30.462 33.998 1.00 14.86 C ATOM 865 C ILE A 114 31.690 31.154 34.305 1.00 13.64 C ATOM 866 O ILE A 114 32.673 30.796 33.686 1.00 12.63 O ATOM 867 CB ILE A 114 29.545 31.353 33.046 1.00 7.61 C ATOM 868 CG1 ILE A 114 28.285 30.533 32.398 1.00 7.67 C ATOM 869 CG2 ILE A 114 30.496 32.067 31.962 1.00 3.45 C ATOM 870 CD1 ILE A 114 27.570 31.402 31.446 1.00 4.67 C ATOM 0 H ILE A 114 28.778 30.612 35.336 1.00 5.97 H new ATOM 0 HA ILE A 114 30.389 29.590 33.595 1.00 14.86 H new ATOM 0 HB ILE A 114 29.199 32.112 33.541 1.00 7.61 H new ATOM 0 HG12 ILE A 114 28.603 29.736 31.947 1.00 7.67 H new ATOM 0 HG13 ILE A 114 27.682 30.240 33.099 1.00 7.67 H new ATOM 0 HG21 ILE A 114 29.960 32.629 31.381 1.00 3.45 H new ATOM 0 HG22 ILE A 114 31.156 32.612 32.419 1.00 3.45 H new ATOM 0 HG23 ILE A 114 30.947 31.391 31.432 1.00 3.45 H new ATOM 0 HD11 ILE A 114 26.823 30.916 31.062 1.00 4.67 H new ATOM 0 HD12 ILE A 114 27.240 32.188 31.910 1.00 4.67 H new ATOM 0 HD13 ILE A 114 28.176 31.675 30.739 1.00 4.67 H new ATOM 871 N LEU A 115 31.797 32.064 35.273 1.00 11.91 N ATOM 872 CA LEU A 115 33.106 32.828 35.678 1.00 10.61 C ATOM 873 C LEU A 115 34.031 31.916 36.288 1.00 6.96 C ATOM 874 O LEU A 115 35.232 31.985 35.887 1.00 16.17 O ATOM 875 CB LEU A 115 32.925 33.965 36.673 1.00 10.53 C ATOM 876 CG LEU A 115 32.287 35.116 36.018 1.00 7.60 C ATOM 877 CD1 LEU A 115 32.047 36.201 37.046 1.00 8.70 C ATOM 878 CD2 LEU A 115 33.146 35.753 34.842 1.00 6.45 C ATOM 0 H LEU A 115 31.122 32.295 35.753 1.00 11.91 H new ATOM 0 HA LEU A 115 33.420 33.210 34.843 1.00 10.61 H new ATOM 0 HB2 LEU A 115 32.382 33.667 37.419 1.00 10.53 H new ATOM 0 HB3 LEU A 115 33.786 34.227 37.035 1.00 10.53 H new ATOM 0 HG LEU A 115 31.464 34.779 35.630 1.00 7.60 H new ATOM 0 HD11 LEU A 115 31.626 36.964 36.620 1.00 8.70 H new ATOM 0 HD12 LEU A 115 31.467 35.862 37.746 1.00 8.70 H new ATOM 0 HD13 LEU A 115 32.894 36.474 37.432 1.00 8.70 H new ATOM 0 HD21 LEU A 115 32.665 36.503 34.459 1.00 6.45 H new ATOM 0 HD22 LEU A 115 33.997 36.060 35.192 1.00 6.45 H new ATOM 0 HD23 LEU A 115 33.301 35.085 34.156 1.00 6.45 H new ATOM 879 N LYS A 116 33.427 30.987 37.107 1.00 6.18 N ATOM 880 CA LYS A 116 34.157 29.973 37.687 1.00 3.00 C ATOM 881 C LYS A 116 34.573 28.985 36.665 1.00 10.23 C ATOM 882 O LYS A 116 35.724 28.638 36.767 1.00 14.14 O ATOM 883 CB LYS A 116 33.363 29.201 38.831 1.00 5.12 C ATOM 884 CG LYS A 116 33.160 30.138 40.014 1.00 35.52 C ATOM 885 CD LYS A 116 32.368 29.350 41.160 1.00 38.29 C ATOM 886 CE LYS A 116 32.063 30.280 42.310 1.00 40.38 C ATOM 887 NZ LYS A 116 31.352 29.474 43.393 0.00 0.00 N ATOM 0 H LYS A 116 32.589 30.983 37.300 1.00 6.18 H new ATOM 0 HA LYS A 116 34.928 30.401 38.092 1.00 3.00 H new ATOM 0 HB2 LYS A 116 32.506 28.895 38.496 1.00 5.12 H new ATOM 0 HB3 LYS A 116 33.857 28.414 39.108 1.00 5.12 H new ATOM 0 HG2 LYS A 116 34.016 30.448 40.349 1.00 35.52 H new ATOM 0 HG3 LYS A 116 32.661 30.924 39.740 1.00 35.52 H new ATOM 0 HD2 LYS A 116 31.544 28.985 40.802 1.00 38.29 H new ATOM 0 HD3 LYS A 116 32.898 28.600 41.473 1.00 38.29 H new ATOM 0 HE2 LYS A 116 32.881 30.668 42.658 1.00 40.38 H new ATOM 0 HE3 LYS A 116 31.504 31.015 42.013 1.00 40.38 H new ATOM 0 HZ1 LYS A 116 31.163 30.005 44.082 0.00 0.00 H new ATOM 0 HZ2 LYS A 116 30.598 29.135 43.064 0.00 0.00 H new ATOM 0 HZ3 LYS A 116 31.880 28.812 43.666 0.00 0.00 H new ATOM 888 N THR A 117 33.685 28.584 35.708 1.00 7.07 N ATOM 889 CA THR A 117 33.973 27.674 34.626 1.00 12.53 C ATOM 890 C THR A 117 35.166 28.329 33.787 1.00 21.84 C ATOM 891 O THR A 117 36.139 27.696 33.578 1.00 14.93 O ATOM 892 CB THR A 117 32.735 27.233 33.706 1.00 10.48 C ATOM 893 OG1 THR A 117 31.665 26.433 34.428 1.00 9.70 O ATOM 894 CG2 THR A 117 33.069 26.409 32.476 1.00 9.57 C ATOM 0 H THR A 117 32.872 28.863 35.697 1.00 7.07 H new ATOM 0 HA THR A 117 34.224 26.821 35.014 1.00 12.53 H new ATOM 0 HB THR A 117 32.418 28.111 33.443 1.00 10.48 H new ATOM 0 HG1 THR A 117 31.237 26.939 34.944 1.00 9.70 H new ATOM 0 HG21 THR A 117 32.253 26.199 31.996 1.00 9.57 H new ATOM 0 HG22 THR A 117 33.662 26.915 31.899 1.00 9.57 H new ATOM 0 HG23 THR A 117 33.506 25.586 32.746 1.00 9.57 H new ATOM 895 N ILE A 118 35.118 29.579 33.387 1.00 20.22 N ATOM 896 CA ILE A 118 36.211 30.305 32.572 1.00 11.98 C ATOM 897 C ILE A 118 37.551 30.520 33.325 1.00 12.99 C ATOM 898 O ILE A 118 38.604 30.275 32.745 1.00 15.21 O ATOM 899 CB ILE A 118 35.863 31.656 32.038 1.00 7.93 C ATOM 900 CG1 ILE A 118 34.661 31.419 31.054 1.00 3.00 C ATOM 901 CG2 ILE A 118 37.098 32.520 31.384 1.00 22.71 C ATOM 902 CD1 ILE A 118 34.985 30.616 29.805 1.00 9.01 C ATOM 0 H ILE A 118 34.447 30.087 33.563 1.00 20.22 H new ATOM 0 HA ILE A 118 36.297 29.669 31.845 1.00 11.98 H new ATOM 0 HB ILE A 118 35.621 32.240 32.774 1.00 7.93 H new ATOM 0 HG12 ILE A 118 33.953 30.965 31.537 1.00 3.00 H new ATOM 0 HG13 ILE A 118 34.311 32.282 30.783 1.00 3.00 H new ATOM 0 HG21 ILE A 118 36.764 33.375 31.070 1.00 22.71 H new ATOM 0 HG22 ILE A 118 37.782 32.667 32.056 1.00 22.71 H new ATOM 0 HG23 ILE A 118 37.478 32.029 30.639 1.00 22.71 H new ATOM 0 HD11 ILE A 118 34.186 30.523 29.263 1.00 9.01 H new ATOM 0 HD12 ILE A 118 35.670 31.075 29.294 1.00 9.01 H new ATOM 0 HD13 ILE A 118 35.307 29.737 30.060 1.00 9.01 H new ATOM 903 N LYS A 119 37.443 30.660 34.631 1.00 13.83 N ATOM 904 CA LYS A 119 38.633 30.747 35.498 1.00 16.14 C ATOM 905 C LYS A 119 39.297 29.474 35.482 1.00 22.53 C ATOM 906 O LYS A 119 40.556 29.562 35.329 1.00 11.32 O ATOM 907 CB LYS A 119 38.326 31.126 36.947 1.00 17.89 C ATOM 908 CG LYS A 119 39.647 31.560 37.727 1.00 23.27 C ATOM 909 CD LYS A 119 39.399 31.981 39.173 1.00 24.42 C ATOM 910 CE LYS A 119 38.483 33.085 39.246 0.00 0.00 C ATOM 911 NZ LYS A 119 38.337 33.501 40.640 0.00 0.00 N ATOM 0 H LYS A 119 36.693 30.708 35.049 1.00 13.83 H new ATOM 0 HA LYS A 119 39.189 31.458 35.142 1.00 16.14 H new ATOM 0 HB2 LYS A 119 37.685 31.853 36.964 1.00 17.89 H new ATOM 0 HB3 LYS A 119 37.914 30.374 37.399 1.00 17.89 H new ATOM 0 HG2 LYS A 119 40.275 30.821 37.717 1.00 23.27 H new ATOM 0 HG3 LYS A 119 40.066 32.295 37.252 1.00 23.27 H new ATOM 0 HD2 LYS A 119 39.044 31.230 39.674 1.00 24.42 H new ATOM 0 HD3 LYS A 119 40.240 32.228 39.589 1.00 24.42 H new ATOM 0 HE2 LYS A 119 38.808 33.825 38.709 0.00 0.00 H new ATOM 0 HE3 LYS A 119 37.621 32.828 38.882 0.00 0.00 H new ATOM 0 HZ1 LYS A 119 37.770 34.185 40.688 0.00 0.00 H new ATOM 0 HZ2 LYS A 119 38.023 32.821 41.121 0.00 0.00 H new ATOM 0 HZ3 LYS A 119 39.129 33.750 40.960 0.00 0.00 H new ATOM 912 N GLU A 120 38.456 28.328 35.481 1.00 20.46 N ATOM 913 CA GLU A 120 38.976 27.038 35.419 1.00 12.24 C ATOM 914 C GLU A 120 39.486 26.729 34.035 1.00 14.76 C ATOM 915 O GLU A 120 40.446 26.061 33.918 1.00 23.06 O ATOM 916 CB GLU A 120 37.925 25.862 35.930 1.00 15.84 C ATOM 917 CG GLU A 120 37.508 26.112 37.379 1.00 42.13 C ATOM 918 CD GLU A 120 36.462 24.935 37.847 1.00 49.24 C ATOM 919 OE1 GLU A 120 36.037 24.932 39.030 1.00 37.40 O ATOM 920 OE2 GLU A 120 36.324 23.840 37.209 1.00 38.30 O ATOM 0 H GLU A 120 37.598 28.363 35.518 1.00 20.46 H new ATOM 0 HA GLU A 120 39.717 27.024 36.045 1.00 12.24 H new ATOM 0 HB2 GLU A 120 37.141 25.851 35.359 1.00 15.84 H new ATOM 0 HB3 GLU A 120 38.344 24.990 35.854 1.00 15.84 H new ATOM 0 HG2 GLU A 120 38.288 26.116 37.956 1.00 42.13 H new ATOM 0 HG3 GLU A 120 37.090 26.983 37.462 1.00 42.13 H new ATOM 921 N VAL A 121 38.885 27.221 33.026 1.00 11.05 N ATOM 922 CA VAL A 121 39.297 26.976 31.655 1.00 11.46 C ATOM 923 C VAL A 121 40.705 27.727 31.342 1.00 18.02 C ATOM 924 O VAL A 121 41.527 27.149 30.685 1.00 20.70 O ATOM 925 CB VAL A 121 38.259 27.351 30.630 1.00 9.80 C ATOM 926 CG1 VAL A 121 38.772 27.300 29.185 1.00 9.47 C ATOM 927 CG2 VAL A 121 36.857 26.470 30.773 1.00 13.43 C ATOM 0 H VAL A 121 38.196 27.731 33.093 1.00 11.05 H new ATOM 0 HA VAL A 121 39.414 26.016 31.578 1.00 11.46 H new ATOM 0 HB VAL A 121 38.054 28.278 30.830 1.00 9.80 H new ATOM 0 HG11 VAL A 121 38.058 27.551 28.579 1.00 9.47 H new ATOM 0 HG12 VAL A 121 39.514 27.916 29.083 1.00 9.47 H new ATOM 0 HG13 VAL A 121 39.069 26.400 28.978 1.00 9.47 H new ATOM 0 HG21 VAL A 121 36.227 26.751 30.091 1.00 13.43 H new ATOM 0 HG22 VAL A 121 37.054 25.527 30.661 1.00 13.43 H new ATOM 0 HG23 VAL A 121 36.471 26.617 31.650 1.00 13.43 H new ATOM 928 N VAL A 122 40.956 28.999 31.737 1.00 16.40 N ATOM 929 CA VAL A 122 42.202 29.863 31.303 1.00 3.00 C ATOM 930 C VAL A 122 43.380 29.804 32.250 1.00 11.99 C ATOM 931 O VAL A 122 44.578 30.146 31.857 1.00 18.06 O ATOM 932 CB VAL A 122 41.964 31.327 31.074 1.00 8.10 C ATOM 933 CG1 VAL A 122 40.897 31.400 29.973 1.00 9.38 C ATOM 934 CG2 VAL A 122 41.589 31.999 32.375 1.00 9.45 C ATOM 0 H VAL A 122 40.429 29.423 32.268 1.00 16.40 H new ATOM 0 HA VAL A 122 42.393 29.425 30.459 1.00 3.00 H new ATOM 0 HB VAL A 122 42.750 31.811 30.777 1.00 8.10 H new ATOM 0 HG11 VAL A 122 40.697 32.329 29.777 1.00 9.38 H new ATOM 0 HG12 VAL A 122 41.228 30.965 29.172 1.00 9.38 H new ATOM 0 HG13 VAL A 122 40.091 30.952 30.273 1.00 9.38 H new ATOM 0 HG21 VAL A 122 41.437 32.944 32.219 1.00 9.45 H new ATOM 0 HG22 VAL A 122 40.780 31.595 32.726 1.00 9.45 H new ATOM 0 HG23 VAL A 122 42.309 31.889 33.015 1.00 9.45 H new ATOM 935 N GLY A 123 43.012 29.218 33.397 1.00 11.80 N ATOM 936 CA GLY A 123 43.973 29.023 34.448 1.00 22.32 C ATOM 937 C GLY A 123 44.954 30.311 34.736 1.00 27.09 C ATOM 938 O GLY A 123 44.514 31.373 35.078 1.00 22.70 O ATOM 0 H GLY A 123 42.219 28.935 33.570 1.00 11.80 H new ATOM 0 HA2 GLY A 123 43.499 28.805 35.266 1.00 22.32 H new ATOM 0 HA3 GLY A 123 44.524 28.256 34.226 1.00 22.32 H new ATOM 939 N ALA A 124 46.236 30.190 34.593 1.00 21.81 N ATOM 940 CA ALA A 124 47.352 31.262 34.935 1.00 16.63 C ATOM 941 C ALA A 124 47.367 32.551 34.127 1.00 14.36 C ATOM 942 O ALA A 124 48.050 33.629 34.544 1.00 19.36 O ATOM 943 CB ALA A 124 48.721 30.768 34.763 1.00 17.80 C ATOM 0 H ALA A 124 46.579 29.466 34.281 1.00 21.81 H new ATOM 0 HA ALA A 124 47.097 31.439 35.854 1.00 16.63 H new ATOM 0 HB1 ALA A 124 49.350 31.471 34.988 1.00 17.80 H new ATOM 0 HB2 ALA A 124 48.866 30.006 35.346 1.00 17.80 H new ATOM 0 HB3 ALA A 124 48.855 30.499 33.841 1.00 17.80 H new ATOM 944 N LYS A 125 46.620 32.436 33.033 1.00 14.96 N ATOM 945 CA LYS A 125 46.532 33.612 32.179 1.00 11.96 C ATOM 946 C LYS A 125 45.484 34.456 32.663 1.00 11.73 C ATOM 947 O LYS A 125 45.201 35.419 31.966 1.00 15.41 O ATOM 948 CB LYS A 125 46.244 33.200 30.714 1.00 19.08 C ATOM 949 CG LYS A 125 47.297 32.356 30.184 1.00 36.69 C ATOM 950 CD LYS A 125 47.145 32.084 28.673 1.00 30.97 C ATOM 951 CE LYS A 125 45.749 31.297 28.309 1.00 36.65 C ATOM 952 NZ LYS A 125 45.547 29.938 28.914 1.00 36.70 N ATOM 0 H LYS A 125 46.185 31.739 32.780 1.00 14.96 H new ATOM 0 HA LYS A 125 47.377 34.088 32.200 1.00 11.96 H new ATOM 0 HB2 LYS A 125 45.397 32.729 30.669 1.00 19.08 H new ATOM 0 HB3 LYS A 125 46.157 33.994 30.164 1.00 19.08 H new ATOM 0 HG2 LYS A 125 48.156 32.777 30.347 1.00 36.69 H new ATOM 0 HG3 LYS A 125 47.299 31.512 30.661 1.00 36.69 H new ATOM 0 HD2 LYS A 125 47.172 32.926 28.192 1.00 30.97 H new ATOM 0 HD3 LYS A 125 47.899 31.557 28.365 1.00 30.97 H new ATOM 0 HE2 LYS A 125 45.007 31.860 28.581 1.00 36.65 H new ATOM 0 HE3 LYS A 125 45.698 31.207 27.345 1.00 36.65 H new ATOM 0 HZ1 LYS A 125 44.676 29.775 28.994 1.00 36.70 H new ATOM 0 HZ2 LYS A 125 45.917 29.321 28.390 1.00 36.70 H new ATOM 0 HZ3 LYS A 125 45.928 29.911 29.718 1.00 36.70 H new ATOM 953 N TRP A 126 44.890 34.072 33.803 1.00 12.59 N ATOM 954 CA TRP A 126 43.811 34.774 34.314 1.00 13.50 C ATOM 955 C TRP A 126 44.349 36.208 34.778 1.00 19.96 C ATOM 956 O TRP A 126 45.498 36.447 35.311 1.00 21.83 O ATOM 957 CB TRP A 126 43.045 33.951 35.456 1.00 8.24 C ATOM 958 CG TRP A 126 41.737 34.494 35.830 1.00 19.46 C ATOM 959 CD1 TRP A 126 40.521 34.302 35.218 1.00 27.40 C ATOM 960 CD2 TRP A 126 41.586 35.317 36.928 1.00 21.64 C ATOM 961 NE1 TRP A 126 39.614 34.987 35.928 1.00 28.16 N ATOM 962 CE2 TRP A 126 40.242 35.574 36.925 1.00 18.15 C ATOM 963 CE3 TRP A 126 42.507 35.850 37.890 1.00 23.14 C ATOM 964 CZ2 TRP A 126 39.761 36.374 37.882 1.00 32.56 C ATOM 965 CZ3 TRP A 126 42.023 36.661 38.849 1.00 41.68 C ATOM 966 CH2 TRP A 126 40.693 36.915 38.846 1.00 44.46 C ATOM 0 H TRP A 126 45.132 33.392 34.271 1.00 12.59 H new ATOM 0 HA TRP A 126 43.130 34.907 33.637 1.00 13.50 H new ATOM 0 HB2 TRP A 126 42.928 33.036 35.155 1.00 8.24 H new ATOM 0 HB3 TRP A 126 43.606 33.919 36.246 1.00 8.24 H new ATOM 0 HD1 TRP A 126 40.359 33.794 34.456 1.00 27.40 H new ATOM 0 HE1 TRP A 126 38.772 35.035 35.762 1.00 28.16 H new ATOM 0 HE3 TRP A 126 43.412 35.641 37.852 1.00 23.14 H new ATOM 0 HZ2 TRP A 126 38.854 36.576 37.926 1.00 32.56 H new ATOM 0 HZ3 TRP A 126 42.583 37.034 39.491 1.00 41.68 H new ATOM 0 HH2 TRP A 126 40.357 37.475 39.508 1.00 44.46 H new ATOM 967 N SER A 127 43.598 37.146 34.489 1.00 15.14 N ATOM 968 CA SER A 127 43.955 38.570 34.891 1.00 10.66 C ATOM 969 C SER A 127 42.722 39.210 35.277 1.00 24.76 C ATOM 970 O SER A 127 41.573 38.709 34.847 1.00 15.97 O ATOM 971 CB SER A 127 44.671 39.416 33.742 1.00 6.98 C ATOM 972 OG SER A 127 43.703 39.596 32.728 1.00 12.95 O ATOM 0 H SER A 127 42.857 37.064 34.061 1.00 15.14 H new ATOM 0 HA SER A 127 44.602 38.531 35.613 1.00 10.66 H new ATOM 0 HB2 SER A 127 44.981 40.270 34.082 1.00 6.98 H new ATOM 0 HB3 SER A 127 45.449 38.948 33.400 1.00 6.98 H new ATOM 0 HG SER A 127 43.290 38.875 32.604 1.00 12.95 H new ATOM 973 N GLU A 128 42.968 40.320 35.996 1.00 22.86 N ATOM 974 CA GLU A 128 41.886 41.081 36.384 1.00 10.28 C ATOM 975 C GLU A 128 41.231 41.641 35.180 1.00 8.61 C ATOM 976 O GLU A 128 39.979 41.659 35.182 1.00 24.48 O ATOM 977 CB GLU A 128 42.408 42.264 37.319 1.00 23.78 C ATOM 978 CG GLU A 128 42.946 41.764 38.640 1.00 58.90 C ATOM 979 CD GLU A 128 43.485 42.990 39.494 0.00 0.00 C ATOM 980 OE1 GLU A 128 44.491 42.958 40.240 0.00 0.00 O ATOM 981 OE2 GLU A 128 42.793 43.931 39.634 0.00 0.00 O ATOM 0 H GLU A 128 43.742 40.604 36.240 1.00 22.86 H new ATOM 0 HA GLU A 128 41.246 40.538 36.870 1.00 10.28 H new ATOM 0 HB2 GLU A 128 43.104 42.756 36.855 1.00 23.78 H new ATOM 0 HB3 GLU A 128 41.682 42.886 37.484 1.00 23.78 H new ATOM 0 HG2 GLU A 128 42.249 41.299 39.129 1.00 58.90 H new ATOM 0 HG3 GLU A 128 43.660 41.125 38.488 1.00 58.90 H new ATOM 982 N GLU A 129 42.066 42.054 34.201 1.00 4.45 N ATOM 983 CA GLU A 129 41.635 42.564 32.925 1.00 5.41 C ATOM 984 C GLU A 129 40.604 41.508 32.238 1.00 12.80 C ATOM 985 O GLU A 129 39.626 41.845 31.602 1.00 10.98 O ATOM 986 CB GLU A 129 42.876 42.863 31.999 1.00 14.25 C ATOM 987 CG GLU A 129 42.575 43.606 30.710 1.00 35.61 C ATOM 988 CD GLU A 129 42.613 45.103 31.022 1.00 41.59 C ATOM 989 OE1 GLU A 129 43.372 45.963 30.345 1.00 49.07 O ATOM 990 OE2 GLU A 129 41.751 45.489 31.787 1.00 36.24 O ATOM 0 H GLU A 129 42.922 42.036 34.285 1.00 4.45 H new ATOM 0 HA GLU A 129 41.167 43.404 33.052 1.00 5.41 H new ATOM 0 HB2 GLU A 129 43.520 43.380 32.507 1.00 14.25 H new ATOM 0 HB3 GLU A 129 43.301 42.021 31.775 1.00 14.25 H new ATOM 0 HG2 GLU A 129 43.227 43.383 30.028 1.00 35.61 H new ATOM 0 HG3 GLU A 129 41.705 43.351 30.365 1.00 35.61 H new ATOM 991 N LEU A 130 40.870 40.270 32.328 1.00 19.90 N ATOM 992 CA LEU A 130 40.015 39.137 31.681 1.00 23.90 C ATOM 993 C LEU A 130 38.663 38.819 32.404 1.00 5.39 C ATOM 994 O LEU A 130 37.580 38.655 31.752 1.00 14.68 O ATOM 995 CB LEU A 130 40.749 37.890 31.725 1.00 12.57 C ATOM 996 CG LEU A 130 39.941 36.625 31.080 1.00 7.63 C ATOM 997 CD1 LEU A 130 39.674 36.835 29.585 1.00 15.66 C ATOM 998 CD2 LEU A 130 40.652 35.381 31.302 1.00 24.92 C ATOM 0 H LEU A 130 41.552 39.974 32.760 1.00 19.90 H new ATOM 0 HA LEU A 130 39.827 39.469 30.789 1.00 23.90 H new ATOM 0 HB2 LEU A 130 41.588 38.002 31.252 1.00 12.57 H new ATOM 0 HB3 LEU A 130 40.968 37.686 32.648 1.00 12.57 H new ATOM 0 HG LEU A 130 39.084 36.569 31.531 1.00 7.63 H new ATOM 0 HD11 LEU A 130 39.194 36.070 29.231 1.00 15.66 H new ATOM 0 HD12 LEU A 130 39.141 37.636 29.461 1.00 15.66 H new ATOM 0 HD13 LEU A 130 40.517 36.932 29.116 1.00 15.66 H new ATOM 0 HD21 LEU A 130 40.152 34.648 30.910 1.00 24.92 H new ATOM 0 HD22 LEU A 130 41.529 35.431 30.890 1.00 24.92 H new ATOM 0 HD23 LEU A 130 40.752 35.231 32.255 1.00 24.92 H new ATOM 999 N ASN A 131 38.755 38.798 33.715 1.00 17.05 N ATOM 1000 CA ASN A 131 37.571 38.576 34.586 1.00 10.66 C ATOM 1001 C ASN A 131 36.672 39.650 34.350 1.00 12.26 C ATOM 1002 O ASN A 131 35.414 39.323 34.256 1.00 18.03 O ATOM 1003 CB ASN A 131 38.021 38.696 36.054 1.00 4.26 C ATOM 1004 CG ASN A 131 36.762 38.436 36.925 1.00 23.44 C ATOM 1005 OD1 ASN A 131 36.413 39.365 37.629 1.00 24.46 O ATOM 1006 ND2 ASN A 131 36.150 37.181 36.911 1.00 23.03 N ATOM 0 H ASN A 131 39.492 38.909 34.144 1.00 17.05 H new ATOM 0 HA ASN A 131 37.170 37.711 34.409 1.00 10.66 H new ATOM 0 HB2 ASN A 131 38.718 38.052 36.255 1.00 4.26 H new ATOM 0 HB3 ASN A 131 38.388 39.576 36.232 1.00 4.26 H new ATOM 0 HD21 ASN A 131 35.478 37.025 37.424 1.00 23.03 H new ATOM 0 HD22 ASN A 131 36.445 36.565 36.389 1.00 23.03 H new ATOM 1007 N SER A 132 37.321 40.885 34.202 1.00 6.89 N ATOM 1008 CA SER A 132 36.565 42.004 33.979 1.00 3.38 C ATOM 1009 C SER A 132 35.870 41.920 32.625 1.00 5.65 C ATOM 1010 O SER A 132 34.716 42.260 32.510 1.00 19.12 O ATOM 1011 CB SER A 132 37.458 43.389 34.118 1.00 3.44 C ATOM 1012 OG ASER A 132 38.363 43.639 33.005 0.33 10.38 O ATOM 1013 OG BSER A 132 38.109 43.472 35.393 0.33 3.00 O ATOM 1014 OG CSER A 132 37.226 44.223 33.000 0.33 15.02 O ATOM 0 H SER A 132 38.171 41.009 34.239 1.00 6.89 H new ATOM 0 HA SER A 132 35.882 42.042 34.667 1.00 3.38 H new ATOM 0 HB2ASER A 132 36.853 44.143 34.204 0.33 3.44 H new ATOM 0 HB2BSER A 132 38.123 43.418 33.412 0.33 3.44 H new ATOM 0 HB2CSER A 132 37.221 43.856 34.935 0.33 3.44 H new ATOM 0 HB3ASER A 132 37.976 43.346 34.937 0.33 3.44 H new ATOM 0 HB3BSER A 132 36.882 44.160 33.997 0.33 3.44 H new ATOM 0 HB3CSER A 132 38.401 43.171 34.179 0.33 3.44 H new ATOM 0 HG ASER A 132 38.511 42.920 32.597 0.33 15.02 H new ATOM 0 HG BSER A 132 38.786 42.975 35.395 0.33 15.02 H new ATOM 0 HG CSER A 132 37.680 44.926 33.075 0.33 15.02 H new ATOM 1015 N ALA A 133 36.551 41.468 31.646 1.00 14.13 N ATOM 1016 CA ALA A 133 35.984 41.347 30.292 1.00 20.39 C ATOM 1017 C ALA A 133 34.723 40.277 30.179 1.00 12.66 C ATOM 1018 O ALA A 133 33.693 40.548 29.579 1.00 15.87 O ATOM 1019 CB ALA A 133 37.054 41.050 29.278 1.00 10.03 C ATOM 0 H ALA A 133 37.369 41.210 31.711 1.00 14.13 H new ATOM 0 HA ALA A 133 35.601 42.215 30.090 1.00 20.39 H new ATOM 0 HB1 ALA A 133 36.654 40.976 28.397 1.00 10.03 H new ATOM 0 HB2 ALA A 133 37.707 41.767 29.277 1.00 10.03 H new ATOM 0 HB3 ALA A 133 37.492 40.215 29.505 1.00 10.03 H new ATOM 1020 N TRP A 134 34.775 39.121 30.795 1.00 13.03 N ATOM 1021 CA TRP A 134 33.613 38.035 30.774 1.00 3.00 C ATOM 1022 C TRP A 134 32.440 38.427 31.579 1.00 13.99 C ATOM 1023 O TRP A 134 31.250 38.067 31.179 1.00 17.82 O ATOM 1024 CB TRP A 134 33.981 36.696 31.324 1.00 8.11 C ATOM 1025 CG TRP A 134 34.698 35.910 30.286 1.00 3.47 C ATOM 1026 CD1 TRP A 134 36.029 35.924 30.085 1.00 4.80 C ATOM 1027 CD2 TRP A 134 34.055 35.003 29.334 1.00 4.40 C ATOM 1028 NE1 TRP A 134 36.224 35.048 29.027 1.00 9.94 N ATOM 1029 CE2 TRP A 134 35.071 34.506 28.599 1.00 14.56 C ATOM 1030 CE3 TRP A 134 32.699 34.594 29.063 1.00 19.93 C ATOM 1031 CZ2 TRP A 134 34.782 33.570 27.579 1.00 13.20 C ATOM 1032 CZ3 TRP A 134 32.408 33.662 28.028 1.00 6.22 C ATOM 1033 CH2 TRP A 134 33.418 33.164 27.305 1.00 10.29 C ATOM 0 H TRP A 134 35.457 38.875 31.258 1.00 13.03 H new ATOM 0 HA TRP A 134 33.426 37.982 29.824 1.00 3.00 H new ATOM 0 HB2 TRP A 134 34.542 36.801 32.108 1.00 8.11 H new ATOM 0 HB3 TRP A 134 33.183 36.222 31.608 1.00 8.11 H new ATOM 0 HD1 TRP A 134 36.671 36.410 30.550 1.00 4.80 H new ATOM 0 HE1 TRP A 134 36.993 34.872 28.685 1.00 9.94 H new ATOM 0 HE3 TRP A 134 32.004 34.945 29.572 1.00 19.93 H new ATOM 0 HZ2 TRP A 134 35.477 33.210 27.077 1.00 13.20 H new ATOM 0 HZ3 TRP A 134 31.531 33.403 27.857 1.00 6.22 H new ATOM 0 HH2 TRP A 134 33.244 32.555 26.624 1.00 10.29 H new ATOM 1034 N THR A 135 32.794 39.223 32.615 1.00 11.52 N ATOM 1035 CA THR A 135 31.793 39.713 33.494 1.00 10.92 C ATOM 1036 C THR A 135 30.985 40.696 32.807 1.00 3.00 C ATOM 1037 O THR A 135 29.717 40.504 32.871 1.00 17.79 O ATOM 1038 CB THR A 135 32.475 40.346 34.767 1.00 9.61 C ATOM 1039 OG1 THR A 135 33.026 39.333 35.516 1.00 10.51 O ATOM 1040 CG2 THR A 135 31.504 40.992 35.667 1.00 23.70 C ATOM 0 H THR A 135 33.598 39.469 32.797 1.00 11.52 H new ATOM 0 HA THR A 135 31.220 38.984 33.778 1.00 10.92 H new ATOM 0 HB THR A 135 33.117 40.997 34.443 1.00 9.61 H new ATOM 0 HG1 THR A 135 33.809 39.183 35.252 1.00 10.51 H new ATOM 0 HG21 THR A 135 31.970 41.365 36.432 1.00 23.70 H new ATOM 0 HG22 THR A 135 31.044 41.702 35.192 1.00 23.70 H new ATOM 0 HG23 THR A 135 30.858 40.336 35.971 1.00 23.70 H new ATOM 1041 N ILE A 136 31.687 41.632 32.068 1.00 10.74 N ATOM 1042 CA ILE A 136 31.046 42.598 31.295 1.00 8.41 C ATOM 1043 C ILE A 136 30.141 41.902 30.198 1.00 3.00 C ATOM 1044 O ILE A 136 28.937 42.114 30.109 1.00 18.42 O ATOM 1045 CB ILE A 136 32.135 43.680 30.683 1.00 21.03 C ATOM 1046 CG1 ILE A 136 32.982 44.492 31.782 1.00 27.52 C ATOM 1047 CG2 ILE A 136 31.532 44.644 29.731 1.00 16.59 C ATOM 1048 CD1 ILE A 136 34.170 45.468 31.185 1.00 18.68 C ATOM 0 H ILE A 136 32.546 41.673 32.042 1.00 10.74 H new ATOM 0 HA ILE A 136 30.447 43.121 31.851 1.00 8.41 H new ATOM 0 HB ILE A 136 32.755 43.104 30.209 1.00 21.03 H new ATOM 0 HG12 ILE A 136 32.370 45.035 32.302 1.00 27.52 H new ATOM 0 HG13 ILE A 136 33.385 43.855 32.392 1.00 27.52 H new ATOM 0 HG21 ILE A 136 32.216 45.250 29.407 1.00 16.59 H new ATOM 0 HG22 ILE A 136 31.147 44.162 28.982 1.00 16.59 H new ATOM 0 HG23 ILE A 136 30.838 45.151 30.180 1.00 16.59 H new ATOM 0 HD11 ILE A 136 34.623 45.913 31.919 1.00 18.68 H new ATOM 0 HD12 ILE A 136 34.809 44.933 30.688 1.00 18.68 H new ATOM 0 HD13 ILE A 136 33.778 46.132 30.597 1.00 18.68 H new ATOM 1049 N ALA A 137 30.695 41.042 29.463 1.00 9.42 N ATOM 1050 CA ALA A 137 29.966 40.262 28.380 1.00 6.38 C ATOM 1051 C ALA A 137 28.673 39.397 28.881 1.00 21.60 C ATOM 1052 O ALA A 137 27.597 39.320 28.216 1.00 11.03 O ATOM 1053 CB ALA A 137 30.882 39.334 27.744 1.00 8.40 C ATOM 0 H ALA A 137 31.528 40.840 29.528 1.00 9.42 H new ATOM 0 HA ALA A 137 29.633 40.945 27.776 1.00 6.38 H new ATOM 0 HB1 ALA A 137 30.414 38.838 27.054 1.00 8.40 H new ATOM 0 HB2 ALA A 137 31.617 39.826 27.346 1.00 8.40 H new ATOM 0 HB3 ALA A 137 31.229 38.716 28.406 1.00 8.40 H new ATOM 1054 N TYR A 138 28.768 38.811 30.049 1.00 5.99 N ATOM 1055 CA TYR A 138 27.584 37.979 30.633 1.00 4.63 C ATOM 1056 C TYR A 138 26.525 38.846 31.062 1.00 9.43 C ATOM 1057 O TYR A 138 25.337 38.564 30.629 1.00 22.11 O ATOM 1058 CB TYR A 138 27.976 37.131 31.822 1.00 7.89 C ATOM 1059 CG TYR A 138 26.736 36.169 32.358 1.00 19.69 C ATOM 1060 CD1 TYR A 138 25.875 36.636 33.264 1.00 10.80 C ATOM 1061 CD2 TYR A 138 26.472 34.851 31.913 1.00 19.24 C ATOM 1062 CE1 TYR A 138 24.739 35.795 33.723 1.00 4.39 C ATOM 1063 CE2 TYR A 138 25.345 33.991 32.384 1.00 8.03 C ATOM 1064 CZ TYR A 138 24.482 34.471 33.286 1.00 8.68 C ATOM 1065 OH TYR A 138 23.333 33.592 33.798 1.00 11.52 O ATOM 0 H TYR A 138 29.465 38.846 30.552 1.00 5.99 H new ATOM 0 HA TYR A 138 27.301 37.395 29.913 1.00 4.63 H new ATOM 0 HB2 TYR A 138 28.732 36.573 31.582 1.00 7.89 H new ATOM 0 HB3 TYR A 138 28.268 37.709 32.544 1.00 7.89 H new ATOM 0 HD1 TYR A 138 25.986 37.492 33.610 1.00 10.80 H new ATOM 0 HD2 TYR A 138 27.047 34.492 31.276 1.00 19.24 H new ATOM 0 HE1 TYR A 138 24.153 36.165 34.343 1.00 4.39 H new ATOM 0 HE2 TYR A 138 25.244 33.128 32.052 1.00 8.03 H new ATOM 0 HH TYR A 138 23.266 33.675 34.631 1.00 11.52 H new ATOM 1066 N ASP A 139 26.962 39.881 31.852 1.00 20.87 N ATOM 1067 CA ASP A 139 26.070 40.810 32.353 1.00 12.90 C ATOM 1068 C ASP A 139 25.331 41.435 31.241 1.00 6.98 C ATOM 1069 O ASP A 139 24.109 41.549 31.379 1.00 10.77 O ATOM 1070 CB ASP A 139 26.850 41.983 33.162 1.00 6.52 C ATOM 1071 CG ASP A 139 27.138 41.464 34.541 1.00 9.31 C ATOM 1072 OD1 ASP A 139 26.721 40.244 34.793 1.00 12.38 O ATOM 1073 OD2 ASP A 139 28.120 42.071 35.193 1.00 19.93 O ATOM 0 H ASP A 139 27.783 40.010 32.075 1.00 20.87 H new ATOM 0 HA ASP A 139 25.464 40.350 32.954 1.00 12.90 H new ATOM 0 HB2 ASP A 139 27.673 42.221 32.708 1.00 6.52 H new ATOM 0 HB3 ASP A 139 26.308 42.786 33.206 1.00 6.52 H new ATOM 1074 N GLU A 140 26.057 41.885 30.210 1.00 5.97 N ATOM 1075 CA GLU A 140 25.426 42.522 29.116 1.00 8.38 C ATOM 1076 C GLU A 140 24.422 41.503 28.350 1.00 26.26 C ATOM 1077 O GLU A 140 23.323 41.822 27.949 1.00 15.04 O ATOM 1078 CB GLU A 140 26.507 43.222 28.149 1.00 3.36 C ATOM 1079 CG GLU A 140 27.443 44.403 28.819 1.00 22.38 C ATOM 1080 CD GLU A 140 26.644 45.472 29.360 1.00 26.14 C ATOM 1081 OE1 GLU A 140 25.636 45.759 28.732 1.00 15.81 O ATOM 1082 OE2 GLU A 140 27.199 46.307 30.204 1.00 22.24 O ATOM 0 H GLU A 140 26.912 41.819 30.149 1.00 5.97 H new ATOM 0 HA GLU A 140 24.868 43.242 29.450 1.00 8.38 H new ATOM 0 HB2 GLU A 140 27.093 42.532 27.800 1.00 3.36 H new ATOM 0 HB3 GLU A 140 26.035 43.603 27.392 1.00 3.36 H new ATOM 0 HG2 GLU A 140 27.992 44.021 29.522 1.00 22.38 H new ATOM 0 HG3 GLU A 140 28.047 44.758 28.148 1.00 22.38 H new ATOM 1083 N LEU A 141 24.756 40.292 28.216 1.00 16.65 N ATOM 1084 CA LEU A 141 23.828 39.239 27.532 1.00 9.58 C ATOM 1085 C LEU A 141 22.571 38.766 28.379 1.00 16.31 C ATOM 1086 O LEU A 141 21.416 38.558 27.853 1.00 17.79 O ATOM 1087 CB LEU A 141 24.582 38.052 27.166 1.00 6.68 C ATOM 1088 CG LEU A 141 23.730 36.954 26.315 1.00 3.55 C ATOM 1089 CD1 LEU A 141 23.141 37.542 25.060 1.00 4.69 C ATOM 1090 CD2 LEU A 141 24.571 35.843 25.946 1.00 3.00 C ATOM 0 H LEU A 141 25.506 39.973 28.489 1.00 16.65 H new ATOM 0 HA LEU A 141 23.482 39.712 26.759 1.00 9.58 H new ATOM 0 HB2 LEU A 141 25.355 38.320 26.645 1.00 6.68 H new ATOM 0 HB3 LEU A 141 24.916 37.632 27.974 1.00 6.68 H new ATOM 0 HG LEU A 141 23.006 36.657 26.889 1.00 3.55 H new ATOM 0 HD11 LEU A 141 22.644 36.858 24.585 1.00 4.69 H new ATOM 0 HD12 LEU A 141 22.545 38.271 25.293 1.00 4.69 H new ATOM 0 HD13 LEU A 141 23.854 37.876 24.493 1.00 4.69 H new ATOM 0 HD21 LEU A 141 24.052 35.198 25.441 1.00 3.00 H new ATOM 0 HD22 LEU A 141 25.308 36.162 25.402 1.00 3.00 H new ATOM 0 HD23 LEU A 141 24.920 35.421 26.747 1.00 3.00 H new ATOM 1091 N ALA A 142 22.784 38.754 29.673 1.00 8.52 N ATOM 1092 CA ALA A 142 21.689 38.363 30.628 1.00 15.61 C ATOM 1093 C ALA A 142 20.695 39.374 30.686 1.00 30.79 C ATOM 1094 O ALA A 142 19.453 38.940 30.778 1.00 20.40 O ATOM 1095 CB ALA A 142 22.240 38.148 32.036 1.00 8.39 C ATOM 0 H ALA A 142 23.532 38.960 30.045 1.00 8.52 H new ATOM 0 HA ALA A 142 21.303 37.535 30.301 1.00 15.61 H new ATOM 0 HB1 ALA A 142 21.517 37.897 32.632 1.00 8.39 H new ATOM 0 HB2 ALA A 142 22.904 37.441 32.019 1.00 8.39 H new ATOM 0 HB3 ALA A 142 22.649 38.969 32.352 1.00 8.39 H new ATOM 1096 N ILE A 143 21.220 40.656 30.529 1.00 21.21 N ATOM 1097 CA ILE A 143 20.366 41.735 30.494 1.00 17.22 C ATOM 1098 C ILE A 143 19.371 41.557 29.332 1.00 18.67 C ATOM 1099 O ILE A 143 18.152 41.687 29.511 1.00 20.15 O ATOM 1100 CB ILE A 143 21.239 43.147 30.435 1.00 14.70 C ATOM 1101 CG1 ILE A 143 21.928 43.518 31.785 1.00 13.48 C ATOM 1102 CG2 ILE A 143 20.426 44.266 30.004 1.00 22.15 C ATOM 1103 CD1 ILE A 143 22.805 44.923 31.741 1.00 28.00 C ATOM 0 H ILE A 143 22.056 40.842 30.449 1.00 21.21 H new ATOM 0 HA ILE A 143 19.836 41.787 31.305 1.00 17.22 H new ATOM 0 HB ILE A 143 21.936 42.974 29.783 1.00 14.70 H new ATOM 0 HG12 ILE A 143 21.248 43.595 32.472 1.00 13.48 H new ATOM 0 HG13 ILE A 143 22.515 42.791 32.047 1.00 13.48 H new ATOM 0 HG21 ILE A 143 20.968 45.070 29.982 1.00 22.15 H new ATOM 0 HG22 ILE A 143 20.075 44.089 29.117 1.00 22.15 H new ATOM 0 HG23 ILE A 143 19.690 44.389 30.624 1.00 22.15 H new ATOM 0 HD11 ILE A 143 23.200 45.085 32.612 1.00 28.00 H new ATOM 0 HD12 ILE A 143 23.508 44.846 31.077 1.00 28.00 H new ATOM 0 HD13 ILE A 143 22.221 45.662 31.509 1.00 28.00 H new ATOM 1104 N VAL A 144 19.844 41.111 28.223 1.00 20.77 N ATOM 1105 CA VAL A 144 18.989 40.889 27.034 1.00 19.02 C ATOM 1106 C VAL A 144 17.924 39.634 27.154 1.00 23.31 C ATOM 1107 O VAL A 144 16.719 39.694 26.842 1.00 31.04 O ATOM 1108 CB VAL A 144 19.845 40.781 25.769 1.00 27.39 C ATOM 1109 CG1 VAL A 144 18.947 40.524 24.521 1.00 14.88 C ATOM 1110 CG2 VAL A 144 20.937 42.031 25.578 1.00 25.09 C ATOM 0 H VAL A 144 20.673 40.916 28.102 1.00 20.77 H new ATOM 0 HA VAL A 144 18.423 41.675 26.977 1.00 19.02 H new ATOM 0 HB VAL A 144 20.417 40.005 25.874 1.00 27.39 H new ATOM 0 HG11 VAL A 144 19.504 40.458 23.729 1.00 14.88 H new ATOM 0 HG12 VAL A 144 18.456 39.696 24.640 1.00 14.88 H new ATOM 0 HG13 VAL A 144 18.321 41.258 24.416 1.00 14.88 H new ATOM 0 HG21 VAL A 144 21.442 41.898 24.761 1.00 25.09 H new ATOM 0 HG22 VAL A 144 20.459 42.874 25.529 1.00 25.09 H new ATOM 0 HG23 VAL A 144 21.545 42.048 26.334 1.00 25.09 H new ATOM 1111 N ILE A 145 18.351 38.541 27.607 1.00 20.66 N ATOM 1112 CA ILE A 145 17.411 37.274 27.735 1.00 23.96 C ATOM 1113 C ILE A 145 16.318 37.375 28.776 1.00 24.64 C ATOM 1114 O ILE A 145 15.100 36.972 28.490 1.00 28.60 O ATOM 1115 CB ILE A 145 18.180 36.071 28.000 1.00 29.61 C ATOM 1116 CG1 ILE A 145 19.118 35.873 26.815 1.00 6.88 C ATOM 1117 CG2 ILE A 145 17.218 34.748 28.293 1.00 23.29 C ATOM 1118 CD1 ILE A 145 19.995 34.765 27.095 1.00 14.10 C ATOM 0 H ILE A 145 19.160 38.413 27.870 1.00 20.66 H new ATOM 0 HA ILE A 145 16.972 37.232 26.871 1.00 23.96 H new ATOM 0 HB ILE A 145 18.694 36.173 28.816 1.00 29.61 H new ATOM 0 HG12 ILE A 145 18.608 35.701 26.008 1.00 6.88 H new ATOM 0 HG13 ILE A 145 19.635 36.679 26.658 1.00 6.88 H new ATOM 0 HG21 ILE A 145 17.776 33.973 28.464 1.00 23.29 H new ATOM 0 HG22 ILE A 145 16.658 34.919 29.067 1.00 23.29 H new ATOM 0 HG23 ILE A 145 16.657 34.578 27.520 1.00 23.29 H new ATOM 0 HD11 ILE A 145 20.596 34.631 26.346 1.00 14.10 H new ATOM 0 HD12 ILE A 145 20.511 34.955 27.894 1.00 14.10 H new ATOM 0 HD13 ILE A 145 19.468 33.962 27.234 1.00 14.10 H new ATOM 1119 N LYS A 146 16.730 38.074 29.853 1.00 15.16 N ATOM 1120 CA LYS A 146 15.809 38.353 30.923 1.00 3.74 C ATOM 1121 C LYS A 146 14.814 39.251 30.436 1.00 27.79 C ATOM 1122 O LYS A 146 13.642 39.123 30.921 1.00 35.57 O ATOM 1123 CB LYS A 146 16.615 39.031 32.120 1.00 14.83 C ATOM 1124 CG LYS A 146 16.912 37.978 33.162 1.00 14.96 C ATOM 1125 CD LYS A 146 18.235 38.408 33.943 1.00 11.40 C ATOM 1126 CE LYS A 146 18.324 39.793 34.619 1.00 25.19 C ATOM 1127 NZ LYS A 146 19.624 40.088 35.329 1.00 40.68 N ATOM 0 H LYS A 146 17.525 38.381 29.964 1.00 15.16 H new ATOM 0 HA LYS A 146 15.386 37.539 31.239 1.00 3.74 H new ATOM 0 HB2 LYS A 146 17.440 39.421 31.791 1.00 14.83 H new ATOM 0 HB3 LYS A 146 16.096 39.752 32.509 1.00 14.83 H new ATOM 0 HG2 LYS A 146 16.168 37.893 33.778 1.00 14.96 H new ATOM 0 HG3 LYS A 146 17.033 37.112 32.743 1.00 14.96 H new ATOM 0 HD2 LYS A 146 18.392 37.742 34.631 1.00 11.40 H new ATOM 0 HD3 LYS A 146 18.972 38.347 33.315 1.00 11.40 H new ATOM 0 HE2 LYS A 146 18.180 40.475 33.944 1.00 25.19 H new ATOM 0 HE3 LYS A 146 17.599 39.870 35.259 1.00 25.19 H new ATOM 0 HZ1 LYS A 146 19.573 40.884 35.724 1.00 40.68 H new ATOM 0 HZ2 LYS A 146 19.776 39.462 35.943 1.00 40.68 H new ATOM 0 HZ3 LYS A 146 20.290 40.093 34.739 1.00 40.68 H new ATOM 1128 N LYS A 147 15.263 40.101 29.486 1.00 26.66 N ATOM 1129 CA LYS A 147 14.360 40.971 28.923 1.00 29.74 C ATOM 1130 C LYS A 147 13.253 40.121 28.119 1.00 28.46 C ATOM 1131 O LYS A 147 12.033 40.242 28.303 1.00 30.12 O ATOM 1132 CB LYS A 147 15.145 42.078 28.031 1.00 39.17 C ATOM 1133 CG LYS A 147 14.236 43.078 27.507 1.00 39.18 C ATOM 1134 CD LYS A 147 15.046 44.265 26.733 0.00 0.00 C ATOM 1135 CE LYS A 147 15.803 43.784 25.526 0.00 0.00 C ATOM 1136 NZ LYS A 147 16.524 44.952 24.800 0.00 0.00 N ATOM 0 H LYS A 147 16.071 40.151 29.195 1.00 26.66 H new ATOM 0 HA LYS A 147 13.881 41.477 29.598 1.00 29.74 H new ATOM 0 HB2 LYS A 147 15.825 42.509 28.572 1.00 39.17 H new ATOM 0 HB3 LYS A 147 15.603 41.639 27.297 1.00 39.17 H new ATOM 0 HG2 LYS A 147 13.609 42.660 26.897 1.00 39.18 H new ATOM 0 HG3 LYS A 147 13.716 43.458 28.232 1.00 39.18 H new ATOM 0 HD2 LYS A 147 14.417 44.951 26.460 0.00 0.00 H new ATOM 0 HD3 LYS A 147 15.667 44.680 27.352 0.00 0.00 H new ATOM 0 HE2 LYS A 147 16.455 43.118 25.796 0.00 0.00 H new ATOM 0 HE3 LYS A 147 15.191 43.349 24.912 0.00 0.00 H new ATOM 0 HZ1 LYS A 147 16.962 44.637 24.092 0.00 0.00 H new ATOM 0 HZ2 LYS A 147 15.923 45.552 24.534 0.00 0.00 H new ATOM 0 HZ3 LYS A 147 17.101 45.337 25.358 0.00 0.00 H new ATOM 1137 N GLU A 148 13.691 39.226 27.329 1.00 17.51 N ATOM 1138 CA GLU A 148 12.766 38.313 26.492 1.00 10.07 C ATOM 1139 C GLU A 148 11.793 37.293 27.284 1.00 40.27 C ATOM 1140 O GLU A 148 10.645 36.860 26.810 1.00 35.18 O ATOM 1141 CB GLU A 148 13.544 37.584 25.468 1.00 7.74 C ATOM 1142 CG GLU A 148 14.524 38.589 24.640 1.00 29.34 C ATOM 1143 CD GLU A 148 13.773 39.712 24.148 1.00 51.42 C ATOM 1144 OE1 GLU A 148 12.717 39.408 23.466 1.00 41.40 O ATOM 1145 OE2 GLU A 148 13.995 40.859 24.695 1.00 49.94 O ATOM 0 H GLU A 148 14.529 39.072 27.210 1.00 17.51 H new ATOM 0 HA GLU A 148 12.148 38.944 26.092 1.00 10.07 H new ATOM 0 HB2 GLU A 148 14.073 36.891 25.894 1.00 7.74 H new ATOM 0 HB3 GLU A 148 12.938 37.141 24.853 1.00 7.74 H new ATOM 0 HG2 GLU A 148 15.243 38.897 25.214 1.00 29.34 H new ATOM 0 HG3 GLU A 148 14.935 38.115 23.900 1.00 29.34 H new ATOM 1146 N MET A 149 12.235 37.001 28.472 1.00 29.21 N ATOM 1147 CA MET A 149 11.415 36.104 29.410 1.00 22.42 C ATOM 1148 C MET A 149 10.270 36.768 29.977 1.00 38.51 C ATOM 1149 O MET A 149 9.113 36.089 30.104 1.00 28.71 O ATOM 1150 CB MET A 149 12.287 35.749 30.586 1.00 21.53 C ATOM 1151 CG MET A 149 13.201 34.723 30.156 1.00 19.30 C ATOM 1152 SD MET A 149 14.295 34.238 31.436 1.00 21.29 S ATOM 1153 CE MET A 149 13.058 33.829 32.736 1.00 16.41 C ATOM 0 H MET A 149 12.982 37.278 28.796 1.00 29.21 H new ATOM 0 HA MET A 149 11.118 35.346 28.883 1.00 22.42 H new ATOM 0 HB2 MET A 149 12.772 36.529 30.898 1.00 21.53 H new ATOM 0 HB3 MET A 149 11.747 35.435 31.328 1.00 21.53 H new ATOM 0 HG2 MET A 149 12.699 33.951 29.851 1.00 19.30 H new ATOM 0 HG3 MET A 149 13.714 35.045 29.398 1.00 19.30 H new ATOM 0 HE1 MET A 149 13.440 33.190 33.357 1.00 16.41 H new ATOM 0 HE2 MET A 149 12.812 34.636 33.214 1.00 16.41 H new ATOM 0 HE3 MET A 149 12.269 33.445 32.323 1.00 16.41 H new ATOM 1154 N ASP A 150 10.634 38.014 30.399 1.00 35.54 N ATOM 1155 CA ASP A 150 9.648 38.768 31.016 1.00 56.14 C ATOM 1156 C ASP A 150 8.583 39.002 29.993 1.00 49.46 C ATOM 1157 O ASP A 150 7.344 38.696 30.254 1.00 47.29 O ATOM 1158 CB ASP A 150 10.343 40.138 31.568 1.00 54.28 C ATOM 1159 CG ASP A 150 11.108 39.899 32.845 1.00 51.98 C ATOM 1160 OD1 ASP A 150 11.277 38.714 33.144 0.00 0.00 O ATOM 1161 OD2 ASP A 150 11.225 40.781 33.750 0.00 0.00 O ATOM 0 H ASP A 150 11.410 38.377 30.321 1.00 35.54 H new ATOM 0 HA ASP A 150 9.238 38.332 31.779 1.00 56.14 H new ATOM 0 HB2 ASP A 150 10.943 40.492 30.893 1.00 54.28 H new ATOM 0 HB3 ASP A 150 9.660 40.809 31.721 1.00 54.28 H new ATOM 1162 N ASP A 151 9.082 39.295 28.798 1.00 41.04 N ATOM 1163 CA ASP A 151 8.209 39.403 27.642 1.00 55.69 C ATOM 1164 C ASP A 151 7.394 38.050 27.234 1.00 61.98 C ATOM 1165 O ASP A 151 6.260 38.023 26.687 1.00 57.30 O ATOM 1166 CB ASP A 151 9.030 40.060 26.445 1.00 55.87 C ATOM 1167 CG ASP A 151 9.408 41.577 26.691 1.00 52.18 C ATOM 1168 OD1 ASP A 151 9.844 41.989 27.820 0.00 0.00 O ATOM 1169 OD2 ASP A 151 8.906 42.385 25.948 0.00 0.00 O ATOM 0 H ASP A 151 9.916 39.433 28.638 1.00 41.04 H new ATOM 0 HA ASP A 151 7.475 39.988 27.887 1.00 55.69 H new ATOM 0 HB2 ASP A 151 9.844 39.551 26.304 1.00 55.87 H new ATOM 0 HB3 ASP A 151 8.508 39.993 25.630 1.00 55.87 H new ATOM 1170 N ALA A 152 7.889 36.949 27.564 1.00 58.34 N ATOM 1171 CA ALA A 152 7.116 35.618 27.235 1.00 51.67 C ATOM 1172 C ALA A 152 6.099 35.098 28.316 1.00 57.95 C ATOM 1173 O ALA A 152 5.326 33.996 28.149 1.00 53.59 O ATOM 1174 CB ALA A 152 8.052 34.550 27.012 1.00 50.44 C ATOM 0 H ALA A 152 8.641 36.848 27.969 1.00 58.34 H new ATOM 0 HA ALA A 152 6.594 35.858 26.454 1.00 51.67 H new ATOM 0 HB1 ALA A 152 7.569 33.733 26.810 1.00 50.44 H new ATOM 0 HB2 ALA A 152 8.630 34.776 26.267 1.00 50.44 H new ATOM 0 HB3 ALA A 152 8.589 34.419 27.809 1.00 50.44 H new ATOM 1175 N ALA A 153 6.246 35.772 29.451 1.00 60.11 N ATOM 1176 CA ALA A 153 5.533 35.271 30.680 1.00 62.99 C ATOM 1177 C ALA A 153 4.132 35.678 30.852 1.00 44.98 C ATOM 1178 O ALA A 153 4.010 36.775 31.420 0.00 0.00 O ATOM 1179 CB ALA A 153 6.410 35.735 31.909 1.00 54.56 C ATOM 1180 OXT ALA A 153 3.134 35.045 30.240 0.00 0.00 O ATOM 0 H ALA A 153 6.719 36.483 29.554 1.00 60.11 H new ATOM 0 HA ALA A 153 5.453 34.308 30.595 1.00 62.99 H new ATOM 0 HB1 ALA A 153 5.995 35.437 32.734 1.00 54.56 H new ATOM 0 HB2 ALA A 153 7.298 35.350 31.837 1.00 54.56 H new ATOM 0 HB3 ALA A 153 6.477 36.703 31.912 1.00 54.56 H new TER 1181 ALA A 153 HETATM 1182 FE HEM A 154 18.902 28.368 29.685 1.00 17.54 FE HETATM 1183 CHA HEM A 154 17.201 25.897 27.665 1.00 13.15 C HETATM 1184 CHB HEM A 154 20.733 29.719 26.857 1.00 19.27 C HETATM 1185 CHC HEM A 154 20.436 31.117 31.472 1.00 7.46 C HETATM 1186 CHD HEM A 154 17.427 26.925 32.395 1.00 27.49 C HETATM 1187 NA HEM A 154 18.929 27.937 27.632 1.00 21.53 N HETATM 1188 C1A HEM A 154 18.125 26.864 27.023 1.00 15.86 C HETATM 1189 C2A HEM A 154 18.478 26.848 25.604 1.00 32.50 C HETATM 1190 C3A HEM A 154 19.504 27.880 25.392 1.00 24.78 C HETATM 1191 C4A HEM A 154 19.781 28.576 26.666 1.00 39.87 C HETATM 1192 CMA HEM A 154 20.254 28.308 24.078 1.00 24.84 C HETATM 1193 CAA HEM A 154 17.767 25.836 24.577 1.00 43.51 C HETATM 1194 CBA HEM A 154 18.664 24.842 24.025 1.00 39.38 C HETATM 1195 CGA HEM A 154 17.866 24.068 22.892 0.00 0.00 C HETATM 1196 O1A HEM A 154 16.653 24.219 22.721 0.00 0.00 O HETATM 1197 O2A HEM A 154 18.473 23.584 21.951 0.00 0.00 O HETATM 1198 NB HEM A 154 20.362 30.106 29.238 1.00 18.03 N HETATM 1199 C1B HEM A 154 20.972 30.445 28.033 1.00 15.61 C HETATM 1200 C2B HEM A 154 21.885 31.710 28.160 1.00 12.99 C HETATM 1201 C3B HEM A 154 21.778 32.154 29.441 1.00 23.09 C HETATM 1202 C4B HEM A 154 20.821 31.115 30.129 1.00 10.63 C HETATM 1203 CMB HEM A 154 22.752 32.362 26.993 1.00 3.00 C HETATM 1204 CAB HEM A 154 22.517 33.459 30.101 1.00 22.10 C HETATM 1205 CBB HEM A 154 22.854 34.601 29.405 1.00 11.89 C HETATM 1206 NC HEM A 154 18.962 28.918 31.573 1.00 12.45 N HETATM 1207 C1C HEM A 154 19.592 30.100 32.143 1.00 29.14 C HETATM 1208 C2C HEM A 154 19.239 30.097 33.562 1.00 7.46 C HETATM 1209 C3C HEM A 154 18.466 28.897 33.833 1.00 24.58 C HETATM 1210 C4C HEM A 154 18.253 28.163 32.568 1.00 30.77 C HETATM 1211 CMC HEM A 154 19.700 31.246 34.557 1.00 4.01 C HETATM 1212 CAC HEM A 154 17.874 28.389 35.198 1.00 10.77 C HETATM 1213 CBC HEM A 154 18.448 27.500 35.904 1.00 3.00 C HETATM 1214 ND HEM A 154 17.575 26.676 29.972 1.00 34.17 N HETATM 1215 C1D HEM A 154 17.085 26.250 31.202 1.00 27.73 C HETATM 1216 C2D HEM A 154 16.108 25.012 31.039 1.00 13.59 C HETATM 1217 C3D HEM A 154 16.044 24.721 29.713 1.00 17.83 C HETATM 1218 C4D HEM A 154 16.957 25.788 29.032 1.00 24.80 C HETATM 1219 CMD HEM A 154 15.324 24.220 32.188 1.00 9.97 C HETATM 1220 CAD HEM A 154 15.190 23.497 29.036 1.00 19.01 C HETATM 1221 CBD HEM A 154 15.995 22.306 28.889 1.00 20.60 C HETATM 1222 CGD HEM A 154 15.010 21.011 28.618 1.00 56.50 C HETATM 1223 O1D HEM A 154 14.071 20.649 29.438 1.00 46.54 O HETATM 1224 O2D HEM A 154 15.349 20.137 27.835 1.00 47.53 O HETATM 0 HMA1 HEM A 154 20.468 29.253 24.120 1.00 24.84 H new HETATM 0 HMA2 HEM A 154 19.685 28.140 23.311 1.00 24.84 H new HETATM 0 HMA3 HEM A 154 21.073 27.795 23.991 1.00 24.84 H new HETATM 0 HMB1 HEM A 154 23.024 31.672 26.368 1.00 3.00 H new HETATM 0 HMB2 HEM A 154 23.539 32.784 27.371 1.00 3.00 H new HETATM 0 HMB3 HEM A 154 22.221 33.028 26.528 1.00 3.00 H new HETATM 0 HMC1 HEM A 154 20.547 31.612 34.259 1.00 4.01 H new HETATM 0 HMC2 HEM A 154 19.802 30.880 35.449 1.00 4.01 H new HETATM 0 HMC3 HEM A 154 19.032 31.949 34.571 1.00 4.01 H new HETATM 0 HMD1 HEM A 154 15.836 24.253 33.011 1.00 9.97 H new HETATM 0 HMD2 HEM A 154 15.203 23.296 31.920 1.00 9.97 H new HETATM 0 HMD3 HEM A 154 14.457 24.631 32.330 1.00 9.97 H new HETATM 0 HBB1 HEM A 154 23.291 35.336 29.862 1.00 11.89 H new HETATM 0 HBB2 HEM A 154 22.654 34.669 28.458 1.00 11.89 H new HETATM 0 HBC1 HEM A 154 18.050 27.214 36.741 1.00 3.00 H new HETATM 0 HBC2 HEM A 154 19.284 27.109 35.605 1.00 3.00 H new HETATM 0 HBA1 HEM A 154 18.961 24.228 24.715 1.00 39.38 H new HETATM 0 HBA2 HEM A 154 19.457 25.263 23.659 1.00 39.38 H new HETATM 0 HAA1 HEM A 154 17.376 26.346 23.851 1.00 43.51 H new HETATM 0 HAA2 HEM A 154 17.038 25.386 25.032 1.00 43.51 H new HETATM 0 HBD1 HEM A 154 16.525 22.161 29.688 1.00 20.60 H new HETATM 0 HBD2 HEM A 154 16.617 22.412 28.152 1.00 20.60 H new HETATM 0 HAD1 HEM A 154 14.859 23.774 28.167 1.00 19.01 H new HETATM 0 HAD2 HEM A 154 14.415 23.299 29.585 1.00 19.01 H new HETATM 0 HHA HEM A 154 16.744 25.312 27.105 1.00 13.15 H new HETATM 0 HHB HEM A 154 21.222 29.976 26.109 1.00 19.27 H new HETATM 0 HHC HEM A 154 20.738 31.824 31.995 1.00 7.46 H new HETATM 0 HHD HEM A 154 17.095 26.550 33.179 1.00 27.49 H new HETATM 0 HAB HEM A 154 22.732 33.426 31.046 1.00 22.10 H new HETATM 0 HAC HEM A 154 17.039 28.768 35.514 1.00 10.77 H new HETATM 1225 C1 NBE A 155 20.731 26.095 29.745 1.00 50.04 C HETATM 1226 N NBE A 155 20.708 27.443 30.218 1.00 19.46 N HETATM 1227 O NBE A 155 21.364 27.846 31.210 1.00 23.56 O HETATM 1228 C2 NBE A 155 20.556 25.799 28.402 1.00 47.19 C HETATM 1229 C3 NBE A 155 20.482 24.495 27.937 1.00 33.81 C HETATM 1230 C4 NBE A 155 20.597 23.468 28.820 1.00 26.55 C HETATM 1231 C5 NBE A 155 20.796 23.757 30.160 1.00 53.67 C HETATM 1232 C6 NBE A 155 20.866 25.071 30.630 1.00 58.71 C HETATM 0 H6 NBE A 155 21.009 25.250 31.573 1.00 58.71 H new HETATM 0 H5 NBE A 155 20.889 23.026 30.791 1.00 53.67 H new HETATM 0 H4 NBE A 155 20.541 22.548 28.517 1.00 26.55 H new HETATM 0 H3 NBE A 155 20.350 24.318 26.993 1.00 33.81 H new HETATM 0 H2 NBE A 155 20.483 26.528 27.767 1.00 47.19 H new HETATM 1233 O HOH A 156 25.882 14.959 29.431 1.00 19.85 O HETATM 1234 O HOH A 157 28.363 16.557 28.976 1.00 21.44 O HETATM 1235 O HOH A 158 23.388 44.617 27.243 1.00 18.09 O HETATM 1236 O HOH A 159 47.190 35.386 37.012 1.00 24.04 O HETATM 1237 O HOH A 160 25.175 36.431 21.849 1.00 25.32 O HETATM 1238 O HOH A 161 26.899 36.434 40.323 1.00 32.13 O HETATM 1239 O HOH A 162 26.587 19.223 41.878 1.00 42.24 O HETATM 1240 O HOH A 163 31.501 50.555 15.271 1.00 24.77 O HETATM 1241 O HOH A 164 29.498 38.777 17.618 1.00 28.82 O HETATM 1242 O HOH A 165 27.828 51.873 19.973 1.00 13.84 O HETATM 1243 O HOH A 166 19.346 44.985 20.319 1.00 30.82 O HETATM 1244 O HOH A 167 21.391 47.474 20.956 1.00 22.40 O HETATM 1245 O HOH A 168 22.047 46.728 23.635 1.00 28.55 O HETATM 1246 O HOH A 169 24.512 46.434 25.158 1.00 28.80 O HETATM 1247 O HOH A 170 21.824 47.724 29.471 1.00 26.69 O HETATM 1248 O HOH A 171 24.604 47.870 29.844 1.00 14.42 O HETATM 1249 O HOH A 172 25.985 47.777 32.326 1.00 19.49 O HETATM 1250 O HOH A 173 15.839 30.284 20.904 1.00 49.18 O HETATM 1251 O HOH A 174 34.338 20.017 22.163 1.00 33.51 O HETATM 1252 O HOH A 175 30.483 38.609 39.877 1.00 34.18 O HETATM 1253 O HOH A 176 33.087 39.684 38.301 1.00 24.56 O HETATM 1254 O HOH A 177 42.245 25.831 36.090 1.00 46.87 O HETATM 1255 O HOH A 178 29.740 51.179 25.020 1.00 15.76 O HETATM 1256 O HOH A 179 23.432 39.682 17.920 1.00 33.04 O HETATM 1257 O HOH A 180 29.822 25.619 20.288 1.00 51.73 O HETATM 1258 O HOH A 181 40.686 45.216 34.447 1.00 55.44 O HETATM 1259 O HOH A 182 13.293 35.474 40.149 1.00 34.33 O HETATM 1260 O HOH A 183 22.774 41.399 33.984 1.00 28.58 O HETATM 1261 O HOH A 184 13.245 23.421 41.715 1.00 52.57 O HETATM 1262 O HOH A 185 17.126 42.612 31.787 1.00 29.03 O HETATM 1263 O HOH A 186 25.882 38.900 39.258 1.00 41.51 O HETATM 1264 O HOH A 187 21.665 46.580 26.898 1.00 40.68 O HETATM 1265 O HOH A 188 29.276 44.470 33.767 1.00 37.12 O HETATM 1266 O HOH A 189 38.077 42.004 37.372 1.00 45.36 O HETATM 1267 O HOH A 190 44.193 37.706 30.908 1.00 42.77 O HETATM 1268 O HOH A 191 47.247 27.802 33.408 1.00 53.64 O HETATM 1269 O HOH A 192 38.105 48.733 21.427 1.00 51.90 O HETATM 1270 O HOH A 193 25.160 39.086 21.089 1.00 51.61 O HETATM 1271 O HOH A 194 25.965 23.557 20.960 1.00 36.92 O HETATM 1272 O HOH A 195 31.725 48.579 24.598 1.00 42.72 O HETATM 1273 O HOH A 196 21.973 9.810 34.764 1.00 43.64 O HETATM 1274 O HOH A 197 20.116 9.420 31.757 1.00 41.83 O HETATM 1275 O HOH A 198 18.437 11.474 30.893 1.00 49.01 O HETATM 1276 O HOH A 199 35.616 15.380 25.927 1.00 38.41 O HETATM 1277 O HOH A 200 39.914 23.487 26.734 1.00 42.72 O HETATM 1278 O HOH A 201 42.713 32.537 26.587 1.00 49.29 O HETATM 1279 O HOH A 202 42.173 34.734 19.283 1.00 45.59 O HETATM 1280 O HOH A 203 42.225 37.354 20.508 1.00 50.94 O HETATM 1281 O HOH A 204 42.620 30.555 22.634 1.00 36.63 O HETATM 1282 O HOH A 205 16.577 12.178 43.217 1.00 56.34 O HETATM 1283 O HOH A 206 26.941 38.591 16.153 1.00 42.86 O HETATM 1284 O HOH A 207 29.189 14.899 21.957 1.00 42.71 O HETATM 1285 O HOH A 208 23.608 37.710 37.419 1.00 48.59 O HETATM 1286 O HOH A 209 20.900 38.533 37.475 1.00 38.51 O HETATM 1287 O HOH A 210 36.813 34.674 35.536 1.00 33.03 O HETATM 1288 O HOH A 211 11.787 35.842 36.923 1.00 37.33 O HETATM 1289 O HOH A 212 23.960 39.274 35.086 1.00 38.81 O HETATM 1290 O HOH A 213 30.587 26.824 22.866 1.00 37.87 O HETATM 1291 O HOH A 214 36.196 23.722 33.495 1.00 39.20 O HETATM 1292 O HOH A 215 46.807 37.140 30.154 1.00 40.80 O HETATM 1293 O HOH A 216 20.636 15.352 37.490 1.00 41.20 O HETATM 1294 O HOH A 217 28.129 51.032 36.613 1.00 36.07 O HETATM 1295 O HOH A 218 45.593 42.392 24.593 1.00 57.64 O HETATM 1296 O HOH A 219 43.758 49.210 24.393 1.00 56.54 O CONECT 746 1182 CONECT 1182 746 1187 1198 1206 CONECT 1182 1214 1226 CONECT 1183 1188 1218 CONECT 1184 1191 1199 CONECT 1185 1202 1207 CONECT 1186 1210 1215 CONECT 1187 1182 1188 1191 CONECT 1188 1183 1187 1189 CONECT 1189 1188 1190 1193 CONECT 1190 1189 1191 1192 CONECT 1191 1184 1187 1190 CONECT 1192 1190 CONECT 1193 1189 1194 CONECT 1194 1193 1195 CONECT 1195 1194 1196 1197 CONECT 1196 1195 CONECT 1197 1195 CONECT 1198 1182 1199 1202 CONECT 1199 1184 1198 1200 CONECT 1200 1199 1201 1203 CONECT 1201 1200 1202 1204 CONECT 1202 1185 1198 1201 CONECT 1203 1200 CONECT 1204 1201 1205 CONECT 1205 1204 CONECT 1206 1182 1207 1210 CONECT 1207 1185 1206 1208 CONECT 1208 1207 1209 1211 CONECT 1209 1208 1210 1212 CONECT 1210 1186 1206 1209 CONECT 1211 1208 CONECT 1212 1209 1213 CONECT 1213 1212 CONECT 1214 1182 1215 1218 CONECT 1215 1186 1214 1216 CONECT 1216 1215 1217 1219 CONECT 1217 1216 1218 1220 CONECT 1218 1183 1214 1217 CONECT 1219 1216 CONECT 1220 1217 1221 CONECT 1221 1220 1222 CONECT 1222 1221 1223 1224 CONECT 1223 1222 CONECT 1224 1222 CONECT 1225 1226 1228 1232 CONECT 1226 1182 1225 1227 CONECT 1227 1226 CONECT 1228 1225 1229 CONECT 1229 1228 1230 CONECT 1230 1229 1231 CONECT 1231 1230 1232 CONECT 1232 1225 1231 END