USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER OXYGEN TRANSPORT 23-APR-82 2LH6 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 A (NICOTINATE MET); COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: LUPINUS LUTEUS; SOURCE 3 ORGANISM_COMMON: YELLOW LUPINE; SOURCE 4 ORGANISM_TAXID: 3873 KEYWDS OXYGEN TRANSPORT EXPDTA X-RAY DIFFRACTION AUTHOR B.K.VAINSHTEIN,E.H.HARUTYUNYAN,I.P.KURANOVA,V.V.BORISOV, AUTHOR 2 N.I.SOSFENOV,A.G.PAVLOVSKY,A.I.GREBENKO,N.V.KONAREVA REVDAT 3 24-FEB-09 2LH6 1 VERSN REVDAT 2 30-SEP-83 2LH6 1 REVDAT REVDAT 1 20-JAN-83 2LH6 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 : 52 REMARK 3 SOLVENT ATOMS : 65 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 2LH6 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 (%): 55.73 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.78 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 46.46000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 26.18000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 46.46000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 26.18000 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 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 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 215 DISTANCE = 7.06 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 NIO A 155 N 171.7 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 154 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NIO A 155 DBREF 2LH6 A 1 153 UNP P02240 LGB2_LUPLU 1 153 SEQADV 2LH6 GLU A 79 UNP P02240 GLN 79 CONFLICT SEQADV 2LH6 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 NIO A 155 9 HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETNAM NIO NICOTINIC ACID HETSYN HEM HEME FORMUL 2 HEM C34 H32 FE N4 O4 FORMUL 3 NIO C6 H5 N O2 FORMUL 4 HOH *65(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 2.07 LINK FE HEM A 154 N NIO A 155 1555 1555 2.03 SITE *** AC1 15 LEU A 43 PHE A 44 SER A 45 HIS A 63 SITE *** AC1 15 VAL A 67 LEU A 93 HIS A 97 LYS A 100 SITE *** AC1 15 VAL A 102 HIS A 106 PHE A 107 VAL A 110 SITE *** AC1 15 TYR A 138 NIO A 155 HOH A 216 SITE *** AC2 7 PHE A 29 PHE A 30 PHE A 44 HIS A 63 SITE *** AC2 7 VAL A 67 HEM A 154 HOH A 216 CRYST1 92.920 38.640 52.360 90.00 90.00 99.60 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 0.010762 0.001820 0.000000 0.00000 SCALE2 0.000000 0.026247 0.000000 0.00000 SCALE3 0.000000 0.000000 0.019099 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 NoAdj-H: A 155 NIO HO2 : A 155 NIO O2 : A 155 NIO C6 :(short bond) USER MOD Set 1.1: A 7 GLN : amide:sc= -0.977! C(o=0.26!,f=-7.9!) USER MOD Set 1.2: A 132 SER OG A: rot -5: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 108:sc= 0.00818 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 150:sc= 0.622 USER MOD Set 4.2: A 6 SER OG : rot 180:sc= 0.336 USER MOD Single : A 1 GLY N :NH3+ -170:sc= 0 (180deg=-0.0574) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -22:sc= 1.24 USER MOD Single : A 19 ASN : amide:sc= -0.0471 X(o=-0.047,f=-0.27) USER MOD Single : A 21 ASN : amide:sc= -4.46! K(o=-4.5!,f=-1) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= -0.892 K(o=-0.89,f=-0.35) USER MOD Single : A 26 THR OG1 : rot -75:sc= 1.02 USER MOD Single : A 27 HIS : no HD1:sc= -0.0845 K(o=-0.085,f=-0.6) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0508 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -54:sc= 1.33 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.242 K(o=-0.24,f=-1.7!) USER MOD Single : A 56 ASN : amide:sc= -0.0953 X(o=-0.095,f=-0.36) USER MOD Single : A 57 ASN : amide:sc= -1.71! C(o=-1.7!,f=-7.7!) USER MOD Single : A 61 GLN : amide:sc= -2.03! K(o=-2!,f=-0.12) USER MOD Single : A 63 HIS : no HE2:sc= 0.185 K(o=0.19,f=-2.8!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -3.48! K(o=-3.5!,f=-0.1) USER MOD Single : A 81 THR OG1 : rot -53:sc= 1.03 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0182 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.386 X(o=-0.39,f=-0.014) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 64:sc= 0.0373 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= 1.09 K(o=1.1,f=-5.6!) USER MOD Single : A 111 LYS NZ :NH3+ 168:sc= 1.1 (180deg=0.87) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 56:sc= 1.2 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 145:sc= 0.134 (180deg=-0.715) USER MOD Single : A 127 SER OG : rot -90:sc= 1.63 USER MOD Single : A 131 ASN : amide:sc= 0.471 X(o=0.47,f=0.6) USER MOD Single : A 132 SER OG B: rot 77:sc= 1.3 USER MOD Single : A 135 THR OG1 : rot 85:sc= 1.9 USER MOD Single : A 138 TYR OH : rot -46:sc= 0.72 USER MOD Single : A 146 LYS NZ :NH3+ 161:sc= 0.0645 (180deg=0.016) USER MOD Single : A 149 MET CE :methyl 153:sc= -0.391 (180deg=-1.57!) USER MOD Single : A 154 HEM CMA :methyl -30:sc= -0.43 (180deg=-1.61!) USER MOD Single : A 154 HEM CMB :methyl -30:sc= -0.158 (180deg=-2.19!) USER MOD Single : A 154 HEM CMC :methyl -30:sc= -0.303 (180deg=-1.84) USER MOD Single : A 154 HEM CMD :methyl 150:sc= -1.13 (180deg=-1.13) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 36.558 49.585 32.236 1.00 64.52 N ATOM 2 CA GLY A 1 37.415 49.011 31.270 1.00 66.94 C ATOM 3 C GLY A 1 37.013 49.234 29.826 1.00 68.23 C ATOM 4 O GLY A 1 37.912 49.649 28.975 0.00 0.00 O ATOM 0 H1 GLY A 1 36.939 49.533 33.039 1.00 64.52 H new ATOM 0 H2 GLY A 1 36.410 50.439 32.032 1.00 64.52 H new ATOM 0 H3 GLY A 1 35.785 49.145 32.246 1.00 64.52 H new ATOM 0 HA2 GLY A 1 38.308 49.368 31.400 1.00 66.94 H new ATOM 0 HA3 GLY A 1 37.465 48.056 31.432 1.00 66.94 H new ATOM 5 N ALA A 2 35.689 49.093 29.643 1.00 70.49 N ATOM 6 CA ALA A 2 34.940 49.383 28.440 1.00 61.09 C ATOM 7 C ALA A 2 34.849 48.336 27.323 1.00 51.21 C ATOM 8 O ALA A 2 34.060 48.433 26.368 1.00 52.93 O ATOM 9 CB ALA A 2 35.472 50.803 27.865 0.00 0.00 C ATOM 0 H ALA A 2 35.181 48.803 30.274 1.00 70.49 H new ATOM 0 HA ALA A 2 34.016 49.392 28.735 1.00 61.09 H new ATOM 0 HB1 ALA A 2 34.987 51.026 27.055 0.00 0.00 H new ATOM 0 HB2 ALA A 2 35.328 51.495 28.529 0.00 0.00 H new ATOM 0 HB3 ALA A 2 36.419 50.738 27.667 0.00 0.00 H new ATOM 10 N LEU A 3 35.827 47.605 27.284 1.00 57.77 N ATOM 11 CA LEU A 3 36.136 46.821 26.112 1.00 33.54 C ATOM 12 C LEU A 3 37.026 47.654 25.077 1.00 30.62 C ATOM 13 O LEU A 3 36.569 48.016 23.989 1.00 27.21 O ATOM 14 CB LEU A 3 34.955 45.810 25.521 1.00 34.16 C ATOM 15 CG LEU A 3 34.663 44.524 26.392 1.00 30.39 C ATOM 16 CD1 LEU A 3 33.139 43.972 26.513 1.00 40.69 C ATOM 17 CD2 LEU A 3 35.460 43.426 25.905 1.00 39.16 C ATOM 0 H LEU A 3 36.383 47.510 27.933 1.00 57.77 H new ATOM 0 HA LEU A 3 36.715 46.103 26.412 1.00 33.54 H new ATOM 0 HB2 LEU A 3 34.132 46.316 25.433 1.00 34.16 H new ATOM 0 HB3 LEU A 3 35.210 45.527 24.629 1.00 34.16 H new ATOM 0 HG LEU A 3 34.882 44.839 27.283 1.00 30.39 H new ATOM 0 HD11 LEU A 3 33.124 43.183 27.077 1.00 40.69 H new ATOM 0 HD12 LEU A 3 32.576 44.659 26.903 1.00 40.69 H new ATOM 0 HD13 LEU A 3 32.806 43.744 25.631 1.00 40.69 H new ATOM 0 HD21 LEU A 3 35.282 42.635 26.438 1.00 39.16 H new ATOM 0 HD22 LEU A 3 35.234 43.248 24.979 1.00 39.16 H new ATOM 0 HD23 LEU A 3 36.400 43.655 25.970 1.00 39.16 H new ATOM 18 N THR A 4 38.305 47.767 25.401 1.00 23.86 N ATOM 19 CA THR A 4 39.426 48.269 24.519 1.00 30.01 C ATOM 20 C THR A 4 39.681 47.125 23.603 1.00 13.02 C ATOM 21 O THR A 4 39.132 45.924 23.848 1.00 14.56 O ATOM 22 CB THR A 4 40.701 48.675 25.377 1.00 30.39 C ATOM 23 OG1 THR A 4 41.232 47.476 25.737 1.00 38.45 O ATOM 24 CG2 THR A 4 40.374 49.439 26.641 1.00 24.16 C ATOM 0 H THR A 4 38.587 47.546 26.183 1.00 23.86 H new ATOM 0 HA THR A 4 39.204 49.079 24.033 1.00 30.01 H new ATOM 0 HB THR A 4 41.280 49.258 24.860 1.00 30.39 H new ATOM 0 HG1 THR A 4 42.065 47.550 25.815 1.00 38.45 H new ATOM 0 HG21 THR A 4 41.195 49.653 27.112 1.00 24.16 H new ATOM 0 HG22 THR A 4 39.910 50.260 26.412 1.00 24.16 H new ATOM 0 HG23 THR A 4 39.807 48.895 27.210 1.00 24.16 H new ATOM 25 N GLU A 5 40.470 47.496 22.591 1.00 16.94 N ATOM 26 CA GLU A 5 40.864 46.524 21.650 1.00 20.03 C ATOM 27 C GLU A 5 41.580 45.493 22.363 1.00 24.13 C ATOM 28 O GLU A 5 41.398 44.282 21.973 1.00 32.63 O ATOM 29 CB GLU A 5 41.787 47.336 20.595 1.00 26.51 C ATOM 30 CG GLU A 5 42.142 46.484 19.407 1.00 61.71 C ATOM 31 CD GLU A 5 42.777 47.473 18.331 1.00 68.52 C ATOM 32 OE1 GLU A 5 42.073 48.286 17.847 1.00 51.40 O ATOM 33 OE2 GLU A 5 44.048 47.775 18.264 1.00 57.68 O ATOM 0 H GLU A 5 40.768 48.291 22.456 1.00 16.94 H new ATOM 0 HA GLU A 5 40.139 46.084 21.179 1.00 20.03 H new ATOM 0 HB2 GLU A 5 41.317 48.131 20.297 1.00 26.51 H new ATOM 0 HB3 GLU A 5 42.598 47.634 21.035 1.00 26.51 H new ATOM 0 HG2 GLU A 5 42.772 45.789 19.654 1.00 61.71 H new ATOM 0 HG3 GLU A 5 41.356 46.041 19.050 1.00 61.71 H new ATOM 34 N SER A 6 42.265 45.921 23.452 1.00 21.76 N ATOM 35 CA SER A 6 42.976 44.998 24.207 1.00 19.08 C ATOM 36 C SER A 6 42.018 43.981 25.039 1.00 16.69 C ATOM 37 O SER A 6 42.161 42.754 25.055 1.00 22.88 O ATOM 38 CB SER A 6 44.109 45.749 25.106 1.00 21.96 C ATOM 39 OG SER A 6 43.549 46.121 26.346 1.00 50.84 O ATOM 0 H SER A 6 42.302 46.735 23.728 1.00 21.76 H new ATOM 0 HA SER A 6 43.452 44.412 23.598 1.00 19.08 H new ATOM 0 HB2 SER A 6 44.868 45.161 25.245 1.00 21.96 H new ATOM 0 HB3 SER A 6 44.439 46.533 24.640 1.00 21.96 H new ATOM 0 HG SER A 6 44.131 46.507 26.812 1.00 50.84 H new ATOM 40 N GLN A 7 41.036 44.480 25.640 1.00 12.55 N ATOM 41 CA GLN A 7 39.987 43.600 26.397 1.00 22.20 C ATOM 42 C GLN A 7 39.205 42.513 25.503 1.00 17.23 C ATOM 43 O GLN A 7 38.938 41.308 25.907 1.00 24.38 O ATOM 44 CB GLN A 7 38.986 44.406 27.066 1.00 17.56 C ATOM 45 CG GLN A 7 39.514 44.983 28.431 1.00 26.06 C ATOM 46 CD GLN A 7 38.524 45.840 29.005 1.00 24.03 C ATOM 47 OE1 GLN A 7 38.245 46.809 28.320 1.00 27.58 O ATOM 48 NE2 GLN A 7 38.400 45.785 30.318 1.00 32.29 N ATOM 0 H GLN A 7 40.877 45.325 25.675 1.00 12.55 H new ATOM 0 HA GLN A 7 40.541 43.115 27.029 1.00 22.20 H new ATOM 0 HB2 GLN A 7 38.721 45.138 26.487 1.00 17.56 H new ATOM 0 HB3 GLN A 7 38.194 43.870 27.227 1.00 17.56 H new ATOM 0 HG2 GLN A 7 39.720 44.258 29.041 1.00 26.06 H new ATOM 0 HG3 GLN A 7 40.337 45.475 28.288 1.00 26.06 H new ATOM 0 HE21 GLN A 7 38.616 45.068 30.741 1.00 32.29 H new ATOM 0 HE22 GLN A 7 38.103 46.466 30.751 1.00 32.29 H new ATOM 49 N ALA A 8 38.924 42.922 24.303 1.00 21.26 N ATOM 50 CA ALA A 8 38.153 41.965 23.361 1.00 29.34 C ATOM 51 C ALA A 8 38.969 40.919 22.832 1.00 24.42 C ATOM 52 O ALA A 8 38.408 39.706 22.697 1.00 21.22 O ATOM 53 CB ALA A 8 37.568 42.698 22.201 1.00 14.35 C ATOM 0 H ALA A 8 39.129 43.690 23.974 1.00 21.26 H new ATOM 0 HA ALA A 8 37.458 41.578 23.915 1.00 29.34 H new ATOM 0 HB1 ALA A 8 37.093 42.074 21.630 1.00 14.35 H new ATOM 0 HB2 ALA A 8 36.952 43.375 22.523 1.00 14.35 H new ATOM 0 HB3 ALA A 8 38.278 43.122 21.694 1.00 14.35 H new ATOM 54 N ALA A 9 40.280 41.350 22.689 1.00 21.33 N ATOM 55 CA ALA A 9 41.200 40.422 22.298 1.00 18.46 C ATOM 56 C ALA A 9 41.269 39.369 23.386 1.00 17.03 C ATOM 57 O ALA A 9 41.466 38.195 23.090 1.00 32.66 O ATOM 58 CB ALA A 9 42.633 41.211 22.038 1.00 20.90 C ATOM 0 H ALA A 9 40.571 42.148 22.823 1.00 21.33 H new ATOM 0 HA ALA A 9 40.969 39.971 21.471 1.00 18.46 H new ATOM 0 HB1 ALA A 9 43.308 40.573 21.758 1.00 20.90 H new ATOM 0 HB2 ALA A 9 42.513 41.880 21.345 1.00 20.90 H new ATOM 0 HB3 ALA A 9 42.918 41.643 22.858 1.00 20.90 H new ATOM 59 N LEU A 10 41.066 39.782 24.604 1.00 12.22 N ATOM 60 CA LEU A 10 41.090 38.869 25.743 1.00 20.11 C ATOM 61 C LEU A 10 39.795 37.838 25.831 1.00 10.85 C ATOM 62 O LEU A 10 39.866 36.609 26.015 1.00 15.04 O ATOM 63 CB LEU A 10 41.323 39.656 27.062 1.00 12.69 C ATOM 64 CG LEU A 10 42.797 40.384 27.184 1.00 14.74 C ATOM 65 CD1 LEU A 10 42.998 41.243 28.463 1.00 21.14 C ATOM 66 CD2 LEU A 10 43.788 39.359 27.139 1.00 29.26 C ATOM 0 H LEU A 10 40.908 40.602 24.811 1.00 12.22 H new ATOM 0 HA LEU A 10 41.844 38.275 25.601 1.00 20.11 H new ATOM 0 HB2 LEU A 10 40.634 40.334 27.145 1.00 12.69 H new ATOM 0 HB3 LEU A 10 41.214 39.048 27.810 1.00 12.69 H new ATOM 0 HG LEU A 10 42.869 41.009 26.446 1.00 14.74 H new ATOM 0 HD11 LEU A 10 43.886 41.633 28.455 1.00 21.14 H new ATOM 0 HD12 LEU A 10 42.335 41.951 28.485 1.00 21.14 H new ATOM 0 HD13 LEU A 10 42.898 40.683 29.248 1.00 21.14 H new ATOM 0 HD21 LEU A 10 44.670 39.758 27.209 1.00 29.26 H new ATOM 0 HD22 LEU A 10 43.652 38.745 27.877 1.00 29.26 H new ATOM 0 HD23 LEU A 10 43.717 38.877 26.300 1.00 29.26 H new ATOM 67 N VAL A 11 38.678 38.321 25.572 1.00 17.87 N ATOM 68 CA VAL A 11 37.363 37.427 25.524 1.00 13.18 C ATOM 69 C VAL A 11 37.297 36.379 24.409 1.00 17.18 C ATOM 70 O VAL A 11 36.952 35.146 24.686 1.00 18.13 O ATOM 71 CB VAL A 11 36.191 38.241 25.409 1.00 12.02 C ATOM 72 CG1 VAL A 11 34.824 37.318 25.124 1.00 14.65 C ATOM 73 CG2 VAL A 11 36.099 39.083 26.683 1.00 5.08 C ATOM 0 H VAL A 11 38.545 39.154 25.405 1.00 17.87 H new ATOM 0 HA VAL A 11 37.401 36.945 26.365 1.00 13.18 H new ATOM 0 HB VAL A 11 36.251 38.830 24.641 1.00 12.02 H new ATOM 0 HG11 VAL A 11 34.050 37.899 25.052 1.00 14.65 H new ATOM 0 HG12 VAL A 11 34.934 36.823 24.297 1.00 14.65 H new ATOM 0 HG13 VAL A 11 34.694 36.697 25.858 1.00 14.65 H new ATOM 0 HG21 VAL A 11 35.313 39.650 26.640 1.00 5.08 H new ATOM 0 HG22 VAL A 11 36.034 38.498 27.454 1.00 5.08 H new ATOM 0 HG23 VAL A 11 36.892 39.636 26.764 1.00 5.08 H new ATOM 74 N LYS A 12 37.812 36.836 23.251 1.00 23.72 N ATOM 75 CA LYS A 12 37.861 35.934 22.103 1.00 13.20 C ATOM 76 C LYS A 12 38.764 34.869 22.319 1.00 14.26 C ATOM 77 O LYS A 12 38.350 33.666 21.972 1.00 16.82 O ATOM 78 CB LYS A 12 38.278 36.740 20.814 1.00 22.23 C ATOM 79 CG LYS A 12 38.266 35.793 19.599 1.00 29.09 C ATOM 80 CD LYS A 12 38.468 36.573 18.270 1.00 45.30 C ATOM 81 CE LYS A 12 38.658 35.621 17.100 1.00 50.39 C ATOM 82 NZ LYS A 12 37.573 34.435 17.120 0.00 0.00 N ATOM 0 H LYS A 12 38.122 37.627 23.120 1.00 23.72 H new ATOM 0 HA LYS A 12 36.977 35.553 21.980 1.00 13.20 H new ATOM 0 HB2 LYS A 12 37.666 37.478 20.669 1.00 22.23 H new ATOM 0 HB3 LYS A 12 39.161 37.123 20.931 1.00 22.23 H new ATOM 0 HG2 LYS A 12 38.967 35.130 19.697 1.00 29.09 H new ATOM 0 HG3 LYS A 12 37.424 35.313 19.569 1.00 29.09 H new ATOM 0 HD2 LYS A 12 37.700 37.143 18.106 1.00 45.30 H new ATOM 0 HD3 LYS A 12 39.241 37.154 18.347 1.00 45.30 H new ATOM 0 HE2 LYS A 12 38.586 36.113 16.267 1.00 50.39 H new ATOM 0 HE3 LYS A 12 39.551 35.244 17.130 1.00 50.39 H new ATOM 0 HZ1 LYS A 12 37.709 33.896 16.425 0.00 0.00 H new ATOM 0 HZ2 LYS A 12 37.654 33.971 17.875 0.00 0.00 H new ATOM 0 HZ3 LYS A 12 36.754 34.780 17.071 0.00 0.00 H new ATOM 83 N SER A 13 39.946 35.288 22.879 1.00 9.04 N ATOM 84 CA SER A 13 40.878 34.333 23.109 1.00 15.92 C ATOM 85 C SER A 13 40.319 33.231 24.111 1.00 17.32 C ATOM 86 O SER A 13 40.488 32.024 23.938 1.00 17.00 O ATOM 87 CB SER A 13 42.233 35.086 23.647 1.00 7.40 C ATOM 88 OG SER A 13 43.119 34.113 23.847 1.00 48.02 O ATOM 0 H SER A 13 40.153 36.094 23.098 1.00 9.04 H new ATOM 0 HA SER A 13 41.098 33.848 22.298 1.00 15.92 H new ATOM 0 HB2 SER A 13 42.559 35.728 22.997 1.00 7.40 H new ATOM 0 HB3 SER A 13 42.060 35.576 24.466 1.00 7.40 H new ATOM 0 HG SER A 13 43.840 34.443 24.125 1.00 48.02 H new ATOM 89 N SER A 14 39.731 33.670 25.160 1.00 19.40 N ATOM 90 CA SER A 14 39.199 32.757 26.249 1.00 9.57 C ATOM 91 C SER A 14 37.899 31.836 25.830 1.00 13.74 C ATOM 92 O SER A 14 37.685 30.615 26.179 1.00 22.88 O ATOM 93 CB SER A 14 38.927 33.555 27.503 1.00 15.09 C ATOM 94 OG SER A 14 37.881 34.333 27.225 1.00 16.22 O ATOM 0 H SER A 14 39.601 34.506 25.313 1.00 19.40 H new ATOM 0 HA SER A 14 39.902 32.108 26.411 1.00 9.57 H new ATOM 0 HB2 SER A 14 38.735 32.969 28.252 1.00 15.09 H new ATOM 0 HB3 SER A 14 39.699 34.087 27.750 1.00 15.09 H new ATOM 0 HG SER A 14 37.815 34.427 26.393 1.00 16.22 H new ATOM 95 N TRP A 15 37.185 32.364 24.929 1.00 9.42 N ATOM 96 CA TRP A 15 36.011 31.548 24.300 1.00 13.55 C ATOM 97 C TRP A 15 36.425 30.472 23.376 1.00 22.19 C ATOM 98 O TRP A 15 35.770 29.283 23.371 1.00 14.11 O ATOM 99 CB TRP A 15 35.158 32.451 23.543 1.00 6.44 C ATOM 100 CG TRP A 15 33.850 31.594 23.012 1.00 38.37 C ATOM 101 CD1 TRP A 15 32.726 31.009 23.674 1.00 28.82 C ATOM 102 CD2 TRP A 15 33.640 31.198 21.686 1.00 20.31 C ATOM 103 NE1 TRP A 15 31.818 30.255 22.765 1.00 25.42 N ATOM 104 CE2 TRP A 15 32.360 30.371 21.608 1.00 37.34 C ATOM 105 CE3 TRP A 15 34.475 31.474 20.584 1.00 24.78 C ATOM 106 CZ2 TRP A 15 31.851 29.794 20.420 1.00 35.24 C ATOM 107 CZ3 TRP A 15 33.968 30.886 19.391 1.00 51.37 C ATOM 108 CH2 TRP A 15 32.693 30.072 19.310 1.00 58.50 C ATOM 0 H TRP A 15 37.289 33.159 24.619 1.00 9.42 H new ATOM 0 HA TRP A 15 35.561 31.129 25.050 1.00 13.55 H new ATOM 0 HB2 TRP A 15 34.874 33.194 24.098 1.00 6.44 H new ATOM 0 HB3 TRP A 15 35.644 32.827 22.793 1.00 6.44 H new ATOM 0 HD1 TRP A 15 32.576 31.092 24.588 1.00 28.82 H new ATOM 0 HE1 TRP A 15 31.095 29.837 22.969 1.00 25.42 H new ATOM 0 HE3 TRP A 15 35.257 31.976 20.631 1.00 24.78 H new ATOM 0 HZ2 TRP A 15 31.066 29.297 20.372 1.00 35.24 H new ATOM 0 HZ3 TRP A 15 34.453 31.010 18.607 1.00 51.37 H new ATOM 0 HH2 TRP A 15 32.446 29.732 18.480 1.00 58.50 H new ATOM 109 N GLU A 16 37.554 30.832 22.705 1.00 18.42 N ATOM 110 CA GLU A 16 38.053 29.820 21.875 1.00 17.91 C ATOM 111 C GLU A 16 38.518 28.720 22.730 1.00 24.58 C ATOM 112 O GLU A 16 38.189 27.497 22.398 1.00 27.43 O ATOM 113 CB GLU A 16 39.215 30.482 20.962 1.00 28.54 C ATOM 114 CG GLU A 16 38.724 31.375 19.872 1.00 35.42 C ATOM 115 CD GLU A 16 39.953 32.145 19.137 1.00 51.56 C ATOM 116 OE1 GLU A 16 41.128 32.057 19.540 1.00 53.62 O ATOM 117 OE2 GLU A 16 39.802 33.141 18.424 1.00 46.53 O ATOM 0 H GLU A 16 37.975 31.581 22.735 1.00 18.42 H new ATOM 0 HA GLU A 16 37.388 29.445 21.276 1.00 17.91 H new ATOM 0 HB2 GLU A 16 39.809 30.990 21.536 1.00 28.54 H new ATOM 0 HB3 GLU A 16 39.743 29.770 20.567 1.00 28.54 H new ATOM 0 HG2 GLU A 16 38.232 30.852 19.220 1.00 35.42 H new ATOM 0 HG3 GLU A 16 38.105 32.026 20.239 1.00 35.42 H new ATOM 118 N GLU A 17 39.126 29.129 23.863 1.00 11.59 N ATOM 119 CA GLU A 17 39.499 28.118 24.789 1.00 11.07 C ATOM 120 C GLU A 17 38.263 27.171 25.326 1.00 12.32 C ATOM 121 O GLU A 17 38.284 25.923 25.394 1.00 15.75 O ATOM 122 CB GLU A 17 40.372 28.754 25.963 1.00 4.42 C ATOM 123 CG GLU A 17 41.882 29.098 25.604 1.00 31.47 C ATOM 124 CD GLU A 17 42.682 29.323 26.907 1.00 43.70 C ATOM 125 OE1 GLU A 17 43.097 28.330 27.443 1.00 44.57 O ATOM 126 OE2 GLU A 17 42.493 30.290 27.642 1.00 41.79 O ATOM 0 H GLU A 17 39.310 29.940 24.080 1.00 11.59 H new ATOM 0 HA GLU A 17 40.050 27.484 24.303 1.00 11.07 H new ATOM 0 HB2 GLU A 17 39.936 29.568 26.261 1.00 4.42 H new ATOM 0 HB3 GLU A 17 40.369 28.139 26.713 1.00 4.42 H new ATOM 0 HG2 GLU A 17 42.276 28.374 25.092 1.00 31.47 H new ATOM 0 HG3 GLU A 17 41.920 29.892 25.048 1.00 31.47 H new ATOM 127 N PHE A 18 37.200 27.735 25.604 1.00 12.28 N ATOM 128 CA PHE A 18 35.913 26.946 26.077 1.00 13.03 C ATOM 129 C PHE A 18 35.358 25.851 25.062 1.00 16.69 C ATOM 130 O PHE A 18 34.919 24.650 25.408 1.00 23.81 O ATOM 131 CB PHE A 18 34.879 27.920 26.289 1.00 7.10 C ATOM 132 CG PHE A 18 33.449 27.194 26.672 1.00 12.49 C ATOM 133 CD1 PHE A 18 33.172 26.782 27.971 1.00 22.46 C ATOM 134 CD2 PHE A 18 32.447 26.942 25.715 1.00 22.06 C ATOM 135 CE1 PHE A 18 31.892 26.103 28.314 1.00 15.61 C ATOM 136 CE2 PHE A 18 31.165 26.257 26.048 1.00 12.14 C ATOM 137 CZ PHE A 18 30.889 25.834 27.350 1.00 3.11 C ATOM 0 H PHE A 18 37.090 28.587 25.559 1.00 12.28 H new ATOM 0 HA PHE A 18 36.170 26.453 26.872 1.00 13.03 H new ATOM 0 HB2 PHE A 18 35.140 28.523 27.002 1.00 7.10 H new ATOM 0 HB3 PHE A 18 34.768 28.458 25.489 1.00 7.10 H new ATOM 0 HD1 PHE A 18 33.800 26.934 28.640 1.00 22.46 H new ATOM 0 HD2 PHE A 18 32.591 27.215 24.838 1.00 22.06 H new ATOM 0 HE1 PHE A 18 31.745 25.845 29.195 1.00 15.61 H new ATOM 0 HE2 PHE A 18 30.538 26.109 25.377 1.00 12.14 H new ATOM 0 HZ PHE A 18 30.095 25.402 27.571 1.00 3.11 H new ATOM 138 N ASN A 19 35.407 26.270 23.827 1.00 24.24 N ATOM 139 CA ASN A 19 34.826 25.403 22.728 1.00 13.05 C ATOM 140 C ASN A 19 35.636 24.275 22.424 1.00 16.68 C ATOM 141 O ASN A 19 35.135 23.280 21.718 1.00 26.92 O ATOM 142 CB ASN A 19 34.823 26.299 21.482 1.00 24.76 C ATOM 143 CG ASN A 19 33.425 26.008 20.847 1.00 35.72 C ATOM 144 OD1 ASN A 19 32.406 26.189 21.513 1.00 40.02 O ATOM 145 ND2 ASN A 19 33.403 25.610 19.593 1.00 50.27 N ATOM 0 H ASN A 19 35.749 27.016 23.570 1.00 24.24 H new ATOM 0 HA ASN A 19 33.957 25.072 23.003 1.00 13.05 H new ATOM 0 HB2 ASN A 19 34.925 27.236 21.712 1.00 24.76 H new ATOM 0 HB3 ASN A 19 35.547 26.075 20.876 1.00 24.76 H new ATOM 0 HD21 ASN A 19 32.651 25.464 19.201 1.00 50.27 H new ATOM 0 HD22 ASN A 19 34.140 25.496 19.165 1.00 50.27 H new ATOM 146 N ALA A 20 36.876 24.455 22.911 1.00 19.71 N ATOM 147 CA ALA A 20 37.772 23.466 22.653 1.00 12.50 C ATOM 148 C ALA A 20 37.309 22.149 23.400 1.00 20.35 C ATOM 149 O ALA A 20 37.846 21.126 23.164 1.00 32.11 O ATOM 150 CB ALA A 20 39.237 24.025 23.087 1.00 26.05 C ATOM 0 H ALA A 20 37.158 25.128 23.366 1.00 19.71 H new ATOM 0 HA ALA A 20 37.824 23.224 21.715 1.00 12.50 H new ATOM 0 HB1 ALA A 20 39.907 23.344 22.917 1.00 26.05 H new ATOM 0 HB2 ALA A 20 39.446 24.819 22.571 1.00 26.05 H new ATOM 0 HB3 ALA A 20 39.233 24.245 24.032 1.00 26.05 H new ATOM 151 N ASN A 21 36.437 22.221 24.363 1.00 9.19 N ATOM 152 CA ASN A 21 35.963 21.038 25.205 1.00 8.57 C ATOM 153 C ASN A 21 34.550 21.044 25.757 1.00 12.35 C ATOM 154 O ASN A 21 34.344 20.969 26.995 1.00 18.54 O ATOM 155 CB ASN A 21 36.950 20.900 26.355 1.00 5.04 C ATOM 156 CG ASN A 21 36.728 19.431 26.842 1.00 10.94 C ATOM 157 OD1 ASN A 21 37.678 18.979 27.412 1.00 31.43 O ATOM 158 ND2 ASN A 21 35.669 18.646 26.331 1.00 14.51 N ATOM 0 H ASN A 21 36.064 22.962 24.590 1.00 9.19 H new ATOM 0 HA ASN A 21 35.933 20.291 24.587 1.00 8.57 H new ATOM 0 HB2 ASN A 21 37.863 21.047 26.063 1.00 5.04 H new ATOM 0 HB3 ASN A 21 36.771 21.542 27.060 1.00 5.04 H new ATOM 0 HD21 ASN A 21 35.685 17.791 26.422 1.00 14.51 H new ATOM 0 HD22 ASN A 21 35.009 19.024 25.929 1.00 14.51 H new ATOM 159 N ILE A 22 33.640 21.143 24.836 1.00 9.45 N ATOM 160 CA ILE A 22 32.187 21.054 25.111 1.00 10.61 C ATOM 161 C ILE A 22 31.582 19.951 26.100 1.00 7.33 C ATOM 162 O ILE A 22 30.932 20.317 27.068 1.00 15.84 O ATOM 163 CB ILE A 22 31.342 21.033 23.817 1.00 17.22 C ATOM 164 CG1 ILE A 22 31.653 22.408 23.098 1.00 24.45 C ATOM 165 CG2 ILE A 22 29.804 20.642 24.066 1.00 16.33 C ATOM 166 CD1 ILE A 22 31.019 23.491 23.854 1.00 21.57 C ATOM 0 H ILE A 22 33.826 21.267 24.005 1.00 9.45 H new ATOM 0 HA ILE A 22 32.116 21.873 25.627 1.00 10.61 H new ATOM 0 HB ILE A 22 31.583 20.314 23.212 1.00 17.22 H new ATOM 0 HG12 ILE A 22 32.611 22.551 23.046 1.00 24.45 H new ATOM 0 HG13 ILE A 22 31.319 22.394 22.187 1.00 24.45 H new ATOM 0 HG21 ILE A 22 29.328 20.646 23.221 1.00 16.33 H new ATOM 0 HG22 ILE A 22 29.755 19.757 24.460 1.00 16.33 H new ATOM 0 HG23 ILE A 22 29.399 21.287 24.667 1.00 16.33 H new ATOM 0 HD11 ILE A 22 31.204 24.339 23.421 1.00 21.57 H new ATOM 0 HD12 ILE A 22 30.060 23.346 23.885 1.00 21.57 H new ATOM 0 HD13 ILE A 22 31.373 23.506 24.757 1.00 21.57 H new ATOM 167 N PRO A 23 31.818 18.682 25.988 1.00 15.04 N ATOM 168 CA PRO A 23 31.238 17.643 26.965 1.00 3.00 C ATOM 169 C PRO A 23 31.758 17.949 28.381 1.00 11.06 C ATOM 170 O PRO A 23 30.923 17.797 29.327 1.00 15.50 O ATOM 171 CB PRO A 23 31.548 16.261 26.508 1.00 13.35 C ATOM 172 CG PRO A 23 32.268 16.499 25.155 1.00 27.70 C ATOM 173 CD PRO A 23 32.425 18.028 24.859 1.00 20.28 C ATOM 0 HA PRO A 23 30.270 17.701 26.988 1.00 3.00 H new ATOM 0 HB2 PRO A 23 32.115 15.792 27.140 1.00 13.35 H new ATOM 0 HB3 PRO A 23 30.744 15.729 26.399 1.00 13.35 H new ATOM 0 HG2 PRO A 23 33.142 16.079 25.173 1.00 27.70 H new ATOM 0 HG3 PRO A 23 31.765 16.078 24.440 1.00 27.70 H new ATOM 0 HD2 PRO A 23 33.358 18.275 24.768 1.00 20.28 H new ATOM 0 HD3 PRO A 23 31.985 18.274 24.030 1.00 20.28 H new ATOM 174 N LYS A 24 33.043 18.499 28.525 1.00 12.41 N ATOM 175 CA LYS A 24 33.561 18.841 29.875 1.00 13.24 C ATOM 176 C LYS A 24 33.053 20.080 30.440 1.00 26.72 C ATOM 177 O LYS A 24 32.573 20.069 31.603 1.00 15.32 O ATOM 178 CB LYS A 24 35.125 19.040 29.910 1.00 12.42 C ATOM 179 CG LYS A 24 35.717 19.279 31.328 1.00 31.49 C ATOM 180 CD LYS A 24 37.246 19.198 31.377 1.00 36.79 C ATOM 181 CE LYS A 24 38.097 20.221 30.436 0.00 0.00 C ATOM 182 NZ LYS A 24 39.520 20.029 30.454 0.00 0.00 N ATOM 0 H LYS A 24 33.581 18.663 27.875 1.00 12.41 H new ATOM 0 HA LYS A 24 33.260 18.073 30.385 1.00 13.24 H new ATOM 0 HB2 LYS A 24 35.547 18.257 29.524 1.00 12.42 H new ATOM 0 HB3 LYS A 24 35.356 19.794 29.345 1.00 12.42 H new ATOM 0 HG2 LYS A 24 35.437 20.152 31.644 1.00 31.49 H new ATOM 0 HG3 LYS A 24 35.346 18.624 31.940 1.00 31.49 H new ATOM 0 HD2 LYS A 24 37.522 19.341 32.296 1.00 36.79 H new ATOM 0 HD3 LYS A 24 37.503 18.293 31.141 1.00 36.79 H new ATOM 0 HE2 LYS A 24 37.785 20.132 29.522 0.00 0.00 H new ATOM 0 HE3 LYS A 24 37.904 21.130 30.715 0.00 0.00 H new ATOM 0 HZ1 LYS A 24 39.907 20.624 29.917 0.00 0.00 H new ATOM 0 HZ2 LYS A 24 39.824 20.137 31.284 0.00 0.00 H new ATOM 0 HZ3 LYS A 24 39.712 19.207 30.172 0.00 0.00 H new ATOM 183 N HIS A 25 33.167 21.118 29.631 1.00 21.11 N ATOM 184 CA HIS A 25 32.919 22.429 30.116 1.00 7.55 C ATOM 185 C HIS A 25 31.437 22.502 30.381 1.00 10.50 C ATOM 186 O HIS A 25 31.127 23.118 31.401 1.00 13.53 O ATOM 187 CB HIS A 25 33.571 23.566 29.184 1.00 4.92 C ATOM 188 CG HIS A 25 35.116 23.622 29.179 1.00 9.31 C ATOM 189 ND1 HIS A 25 35.803 23.266 30.316 1.00 20.84 N ATOM 190 CD2 HIS A 25 36.007 23.952 28.190 1.00 3.00 C ATOM 191 CE1 HIS A 25 37.187 23.383 29.981 1.00 19.61 C ATOM 192 NE2 HIS A 25 37.309 23.813 28.642 1.00 19.43 N ATOM 0 H HIS A 25 33.387 21.071 28.801 1.00 21.11 H new ATOM 0 HA HIS A 25 33.372 22.618 30.953 1.00 7.55 H new ATOM 0 HB2 HIS A 25 33.266 23.430 28.274 1.00 4.92 H new ATOM 0 HB3 HIS A 25 33.233 24.429 29.470 1.00 4.92 H new ATOM 0 HD1 HIS A 25 35.469 23.024 31.071 1.00 20.84 H new ATOM 0 HD2 HIS A 25 35.770 24.230 27.335 1.00 3.00 H new ATOM 0 HE1 HIS A 25 37.896 23.204 30.555 1.00 19.61 H new ATOM 193 N THR A 26 30.560 21.823 29.548 1.00 16.08 N ATOM 194 CA THR A 26 29.104 21.796 29.743 1.00 7.87 C ATOM 195 C THR A 26 28.540 20.890 30.901 1.00 11.26 C ATOM 196 O THR A 26 27.547 21.158 31.555 1.00 13.01 O ATOM 197 CB THR A 26 28.261 21.387 28.474 1.00 21.86 C ATOM 198 OG1 THR A 26 28.293 20.002 28.131 1.00 12.10 O ATOM 199 CG2 THR A 26 28.728 22.329 27.288 1.00 12.43 C ATOM 0 H THR A 26 30.821 21.374 28.862 1.00 16.08 H new ATOM 0 HA THR A 26 28.991 22.731 29.974 1.00 7.87 H new ATOM 0 HB THR A 26 27.321 21.516 28.677 1.00 21.86 H new ATOM 0 HG1 THR A 26 29.034 19.817 27.781 1.00 12.10 H new ATOM 0 HG21 THR A 26 28.231 22.109 26.485 1.00 12.43 H new ATOM 0 HG22 THR A 26 28.563 23.255 27.526 1.00 12.43 H new ATOM 0 HG23 THR A 26 29.676 22.201 27.127 1.00 12.43 H new ATOM 200 N HIS A 27 29.172 19.873 31.162 1.00 17.28 N ATOM 201 CA HIS A 27 28.744 18.989 32.301 1.00 6.51 C ATOM 202 C HIS A 27 29.099 19.762 33.601 1.00 8.95 C ATOM 203 O HIS A 27 28.231 19.728 34.517 1.00 9.75 O ATOM 204 CB HIS A 27 29.436 17.721 32.235 1.00 19.84 C ATOM 205 CG HIS A 27 29.305 16.879 33.534 1.00 23.15 C ATOM 206 ND1 HIS A 27 28.086 16.037 33.907 1.00 16.56 N ATOM 207 CD2 HIS A 27 30.255 16.796 34.471 1.00 11.42 C ATOM 208 CE1 HIS A 27 28.332 15.430 35.137 1.00 17.09 C ATOM 209 NE2 HIS A 27 29.691 15.910 35.483 1.00 25.34 N ATOM 0 H HIS A 27 29.869 19.606 30.735 1.00 17.28 H new ATOM 0 HA HIS A 27 27.795 18.790 32.269 1.00 6.51 H new ATOM 0 HB2 HIS A 27 29.088 17.208 31.489 1.00 19.84 H new ATOM 0 HB3 HIS A 27 30.375 17.882 32.055 1.00 19.84 H new ATOM 0 HD2 HIS A 27 31.088 17.210 34.476 1.00 11.42 H new ATOM 0 HE1 HIS A 27 27.778 14.862 35.623 1.00 17.09 H new ATOM 0 HE2 HIS A 27 30.104 15.689 36.205 1.00 25.34 H new ATOM 210 N ARG A 28 30.311 20.518 33.603 1.00 11.50 N ATOM 211 CA ARG A 28 30.850 21.340 34.755 1.00 7.85 C ATOM 212 C ARG A 28 30.028 22.461 35.041 1.00 12.40 C ATOM 213 O ARG A 28 29.754 22.732 36.225 1.00 18.46 O ATOM 214 CB ARG A 28 32.337 21.978 34.491 1.00 13.65 C ATOM 215 CG ARG A 28 33.007 22.769 35.706 1.00 29.54 C ATOM 216 CD ARG A 28 33.140 21.849 36.920 1.00 37.10 C ATOM 217 NE ARG A 28 33.753 22.685 38.041 1.00 41.84 N ATOM 218 CZ ARG A 28 33.597 22.355 39.316 1.00 49.96 C ATOM 219 NH1 ARG A 28 32.892 21.181 39.681 1.00 46.66 N ATOM 220 NH2 ARG A 28 34.186 23.205 40.230 1.00 45.07 N ATOM 0 H ARG A 28 30.825 20.547 32.914 1.00 11.50 H new ATOM 0 HA ARG A 28 30.878 20.698 35.482 1.00 7.85 H new ATOM 0 HB2 ARG A 28 32.934 21.258 34.233 1.00 13.65 H new ATOM 0 HB3 ARG A 28 32.277 22.581 33.734 1.00 13.65 H new ATOM 0 HG2 ARG A 28 33.881 23.099 35.444 1.00 29.54 H new ATOM 0 HG3 ARG A 28 32.468 23.542 35.935 1.00 29.54 H new ATOM 0 HD2 ARG A 28 32.274 21.501 37.184 1.00 37.10 H new ATOM 0 HD3 ARG A 28 33.702 21.086 36.713 1.00 37.10 H new ATOM 0 HE ARG A 28 34.210 23.386 37.841 1.00 41.84 H new ATOM 0 HH11 ARG A 28 32.559 20.673 39.072 1.00 46.66 H new ATOM 0 HH12 ARG A 28 32.797 20.977 40.511 1.00 46.66 H new ATOM 0 HH21 ARG A 28 34.619 23.896 39.957 1.00 45.07 H new ATOM 0 HH22 ARG A 28 34.120 23.044 41.072 1.00 45.07 H new ATOM 221 N PHE A 29 29.595 23.023 33.969 1.00 15.06 N ATOM 222 CA PHE A 29 28.727 24.067 34.037 1.00 7.27 C ATOM 223 C PHE A 29 27.453 23.608 34.869 1.00 18.07 C ATOM 224 O PHE A 29 27.218 24.291 35.870 1.00 12.44 O ATOM 225 CB PHE A 29 28.338 24.464 32.613 1.00 8.73 C ATOM 226 CG PHE A 29 27.256 25.396 32.611 1.00 16.06 C ATOM 227 CD1 PHE A 29 27.544 26.686 33.141 1.00 8.81 C ATOM 228 CD2 PHE A 29 25.977 24.920 32.117 1.00 9.12 C ATOM 229 CE1 PHE A 29 26.553 27.505 33.185 1.00 5.08 C ATOM 230 CE2 PHE A 29 24.979 25.732 32.154 1.00 11.39 C ATOM 231 CZ PHE A 29 25.266 27.029 32.694 1.00 3.61 C ATOM 0 H PHE A 29 29.816 22.787 33.172 1.00 15.06 H new ATOM 0 HA PHE A 29 29.128 24.833 34.477 1.00 7.27 H new ATOM 0 HB2 PHE A 29 29.104 24.854 32.163 1.00 8.73 H new ATOM 0 HB3 PHE A 29 28.087 23.673 32.112 1.00 8.73 H new ATOM 0 HD1 PHE A 29 28.394 26.921 33.436 1.00 8.81 H new ATOM 0 HD2 PHE A 29 25.882 24.057 31.785 1.00 9.12 H new ATOM 0 HE1 PHE A 29 26.654 28.368 33.517 1.00 5.08 H new ATOM 0 HE2 PHE A 29 24.132 25.494 31.852 1.00 11.39 H new ATOM 0 HZ PHE A 29 24.557 27.629 32.735 1.00 3.61 H new ATOM 232 N PHE A 30 26.725 22.430 34.546 1.00 12.19 N ATOM 233 CA PHE A 30 25.507 21.886 35.318 1.00 8.41 C ATOM 234 C PHE A 30 25.783 21.474 36.746 1.00 4.51 C ATOM 235 O PHE A 30 24.972 21.696 37.646 1.00 17.47 O ATOM 236 CB PHE A 30 24.594 20.721 34.593 1.00 5.66 C ATOM 237 CG PHE A 30 23.742 21.286 33.519 1.00 16.70 C ATOM 238 CD1 PHE A 30 24.053 21.191 32.185 1.00 15.52 C ATOM 239 CD2 PHE A 30 22.673 21.905 33.901 1.00 9.94 C ATOM 240 CE1 PHE A 30 23.286 21.709 31.219 1.00 14.35 C ATOM 241 CE2 PHE A 30 21.900 22.428 32.944 1.00 13.15 C ATOM 242 CZ PHE A 30 22.208 22.329 31.599 1.00 8.65 C ATOM 0 H PHE A 30 26.935 21.937 33.873 1.00 12.19 H new ATOM 0 HA PHE A 30 24.968 22.692 35.313 1.00 8.41 H new ATOM 0 HB2 PHE A 30 25.174 20.038 34.221 1.00 5.66 H new ATOM 0 HB3 PHE A 30 24.035 20.287 35.256 1.00 5.66 H new ATOM 0 HD1 PHE A 30 24.833 20.746 31.942 1.00 15.52 H new ATOM 0 HD2 PHE A 30 22.452 21.983 34.801 1.00 9.94 H new ATOM 0 HE1 PHE A 30 23.513 21.630 30.321 1.00 14.35 H new ATOM 0 HE2 PHE A 30 21.124 22.876 33.192 1.00 13.15 H new ATOM 0 HZ PHE A 30 21.642 22.707 30.965 1.00 8.65 H new ATOM 243 N ILE A 31 26.922 20.999 36.963 1.00 5.51 N ATOM 244 CA ILE A 31 27.329 20.727 38.339 1.00 3.00 C ATOM 245 C ILE A 31 27.495 22.024 39.163 1.00 6.48 C ATOM 246 O ILE A 31 27.022 22.009 40.327 1.00 12.40 O ATOM 247 CB ILE A 31 28.699 20.210 38.368 1.00 11.09 C ATOM 248 CG1 ILE A 31 28.632 18.856 37.620 1.00 21.84 C ATOM 249 CG2 ILE A 31 29.241 20.115 39.806 1.00 8.81 C ATOM 250 CD1 ILE A 31 27.577 17.732 38.240 1.00 30.78 C ATOM 0 H ILE A 31 27.505 20.812 36.359 1.00 5.51 H new ATOM 0 HA ILE A 31 26.649 20.128 38.685 1.00 3.00 H new ATOM 0 HB ILE A 31 29.333 20.800 37.932 1.00 11.09 H new ATOM 0 HG12 ILE A 31 28.387 19.028 36.697 1.00 21.84 H new ATOM 0 HG13 ILE A 31 29.521 18.468 37.610 1.00 21.84 H new ATOM 0 HG21 ILE A 31 30.147 19.770 39.788 1.00 8.81 H new ATOM 0 HG22 ILE A 31 29.239 20.996 40.212 1.00 8.81 H new ATOM 0 HG23 ILE A 31 28.679 19.519 40.325 1.00 8.81 H new ATOM 0 HD11 ILE A 31 27.611 16.925 37.703 1.00 30.78 H new ATOM 0 HD12 ILE A 31 27.827 17.522 39.153 1.00 30.78 H new ATOM 0 HD13 ILE A 31 26.676 18.091 38.226 1.00 30.78 H new ATOM 251 N LEU A 32 28.100 23.115 38.537 1.00 5.14 N ATOM 252 CA LEU A 32 28.365 24.442 39.205 1.00 5.72 C ATOM 253 C LEU A 32 27.065 25.014 39.438 1.00 6.12 C ATOM 254 O LEU A 32 26.927 25.637 40.504 1.00 12.97 O ATOM 255 CB LEU A 32 29.353 25.466 38.382 1.00 11.73 C ATOM 256 CG LEU A 32 30.817 25.170 38.425 1.00 12.48 C ATOM 257 CD1 LEU A 32 31.746 26.083 37.449 1.00 20.46 C ATOM 258 CD2 LEU A 32 31.399 25.307 39.853 1.00 18.27 C ATOM 0 H LEU A 32 28.361 23.092 37.718 1.00 5.14 H new ATOM 0 HA LEU A 32 28.865 24.294 40.023 1.00 5.72 H new ATOM 0 HB2 LEU A 32 29.073 25.474 37.453 1.00 11.73 H new ATOM 0 HB3 LEU A 32 29.215 26.362 38.728 1.00 11.73 H new ATOM 0 HG LEU A 32 30.853 24.254 38.107 1.00 12.48 H new ATOM 0 HD11 LEU A 32 32.674 25.819 37.546 1.00 20.46 H new ATOM 0 HD12 LEU A 32 31.469 25.958 36.528 1.00 20.46 H new ATOM 0 HD13 LEU A 32 31.649 27.017 37.691 1.00 20.46 H new ATOM 0 HD21 LEU A 32 32.348 25.107 39.836 1.00 18.27 H new ATOM 0 HD22 LEU A 32 31.265 26.213 40.171 1.00 18.27 H new ATOM 0 HD23 LEU A 32 30.949 24.686 40.447 1.00 18.27 H new ATOM 259 N VAL A 33 26.115 24.738 38.521 1.00 12.35 N ATOM 260 CA VAL A 33 24.801 25.185 38.711 1.00 10.00 C ATOM 261 C VAL A 33 24.068 24.509 39.929 1.00 14.06 C ATOM 262 O VAL A 33 23.561 25.210 40.771 1.00 12.15 O ATOM 263 CB VAL A 33 23.865 24.874 37.482 1.00 14.08 C ATOM 264 CG1 VAL A 33 22.411 25.135 37.769 1.00 9.80 C ATOM 265 CG2 VAL A 33 24.459 25.651 36.231 1.00 13.92 C ATOM 0 H VAL A 33 26.248 24.293 37.797 1.00 12.35 H new ATOM 0 HA VAL A 33 24.923 26.137 38.854 1.00 10.00 H new ATOM 0 HB VAL A 33 23.863 23.925 37.280 1.00 14.08 H new ATOM 0 HG11 VAL A 33 21.883 24.928 36.982 1.00 9.80 H new ATOM 0 HG12 VAL A 33 22.122 24.577 38.508 1.00 9.80 H new ATOM 0 HG13 VAL A 33 22.290 26.069 38.002 1.00 9.80 H new ATOM 0 HG21 VAL A 33 23.906 25.482 35.452 1.00 13.92 H new ATOM 0 HG22 VAL A 33 24.472 26.603 36.417 1.00 13.92 H new ATOM 0 HG23 VAL A 33 25.363 25.343 36.058 1.00 13.92 H new ATOM 266 N LEU A 34 24.083 23.199 40.024 1.00 21.33 N ATOM 267 CA LEU A 34 23.372 22.356 41.093 1.00 14.36 C ATOM 268 C LEU A 34 24.095 22.602 42.428 1.00 9.26 C ATOM 269 O LEU A 34 23.396 22.467 43.474 1.00 13.96 O ATOM 270 CB LEU A 34 23.226 20.837 40.746 1.00 14.57 C ATOM 271 CG LEU A 34 21.928 20.270 39.954 1.00 17.29 C ATOM 272 CD1 LEU A 34 21.150 21.346 39.377 1.00 15.27 C ATOM 273 CD2 LEU A 34 22.180 19.215 38.904 1.00 20.96 C ATOM 0 H LEU A 34 24.516 22.713 39.462 1.00 21.33 H new ATOM 0 HA LEU A 34 22.447 22.644 41.148 1.00 14.36 H new ATOM 0 HB2 LEU A 34 24.005 20.591 40.223 1.00 14.57 H new ATOM 0 HB3 LEU A 34 23.281 20.350 41.583 1.00 14.57 H new ATOM 0 HG LEU A 34 21.433 19.816 40.653 1.00 17.29 H new ATOM 0 HD11 LEU A 34 20.383 20.977 38.911 1.00 15.27 H new ATOM 0 HD12 LEU A 34 20.846 21.939 40.081 1.00 15.27 H new ATOM 0 HD13 LEU A 34 21.699 21.843 38.751 1.00 15.27 H new ATOM 0 HD21 LEU A 34 21.338 18.953 38.500 1.00 20.96 H new ATOM 0 HD22 LEU A 34 22.769 19.572 38.221 1.00 20.96 H new ATOM 0 HD23 LEU A 34 22.595 18.441 39.316 1.00 20.96 H new ATOM 274 N GLU A 35 25.420 23.032 42.384 1.00 8.47 N ATOM 275 CA GLU A 35 26.195 23.433 43.611 1.00 6.06 C ATOM 276 C GLU A 35 25.812 24.724 44.202 1.00 20.33 C ATOM 277 O GLU A 35 25.793 24.898 45.446 1.00 18.89 O ATOM 278 CB GLU A 35 27.739 23.641 43.362 1.00 16.08 C ATOM 279 CG GLU A 35 28.261 22.284 43.186 1.00 46.36 C ATOM 280 CD GLU A 35 29.807 22.539 43.098 1.00 49.89 C ATOM 281 OE1 GLU A 35 30.425 21.545 42.987 1.00 42.49 O ATOM 282 OE2 GLU A 35 30.451 23.648 43.510 1.00 42.93 O ATOM 0 H GLU A 35 25.871 23.093 41.654 1.00 8.47 H new ATOM 0 HA GLU A 35 25.989 22.681 44.188 1.00 6.06 H new ATOM 0 HB2 GLU A 35 27.901 24.187 42.577 1.00 16.08 H new ATOM 0 HB3 GLU A 35 28.162 24.089 44.112 1.00 16.08 H new ATOM 0 HG2 GLU A 35 28.030 21.707 43.930 1.00 46.36 H new ATOM 0 HG3 GLU A 35 27.916 21.863 42.383 1.00 46.36 H new ATOM 283 N ILE A 36 25.459 25.575 43.327 1.00 17.60 N ATOM 284 CA ILE A 36 25.087 26.870 43.733 1.00 4.23 C ATOM 285 C ILE A 36 23.608 26.740 44.155 1.00 15.72 C ATOM 286 O ILE A 36 23.300 27.270 45.229 1.00 15.23 O ATOM 287 CB ILE A 36 25.417 27.922 42.602 1.00 9.55 C ATOM 288 CG1 ILE A 36 26.958 28.245 42.365 1.00 8.76 C ATOM 289 CG2 ILE A 36 24.860 29.238 42.898 1.00 18.53 C ATOM 290 CD1 ILE A 36 27.320 29.176 41.144 1.00 13.12 C ATOM 0 H ILE A 36 25.425 25.429 42.480 1.00 17.60 H new ATOM 0 HA ILE A 36 25.587 27.219 44.487 1.00 4.23 H new ATOM 0 HB ILE A 36 25.037 27.480 41.826 1.00 9.55 H new ATOM 0 HG12 ILE A 36 27.306 28.657 43.171 1.00 8.76 H new ATOM 0 HG13 ILE A 36 27.427 27.404 42.251 1.00 8.76 H new ATOM 0 HG21 ILE A 36 25.084 29.853 42.182 1.00 18.53 H new ATOM 0 HG22 ILE A 36 23.895 29.171 42.976 1.00 18.53 H new ATOM 0 HG23 ILE A 36 25.230 29.566 43.733 1.00 18.53 H new ATOM 0 HD11 ILE A 36 28.281 29.298 41.104 1.00 13.12 H new ATOM 0 HD12 ILE A 36 27.012 28.765 40.321 1.00 13.12 H new ATOM 0 HD13 ILE A 36 26.889 30.038 41.255 1.00 13.12 H new ATOM 291 N ALA A 37 22.732 26.035 43.344 1.00 13.53 N ATOM 292 CA ALA A 37 21.261 25.799 43.597 1.00 16.95 C ATOM 293 C ALA A 37 20.589 24.377 43.194 1.00 18.15 C ATOM 294 O ALA A 37 20.167 24.161 42.017 1.00 13.00 O ATOM 295 CB ALA A 37 20.568 26.843 42.835 1.00 3.00 C ATOM 0 H ALA A 37 22.995 25.673 42.610 1.00 13.53 H new ATOM 0 HA ALA A 37 21.171 25.807 44.563 1.00 16.95 H new ATOM 0 HB1 ALA A 37 19.610 26.749 42.954 1.00 3.00 H new ATOM 0 HB2 ALA A 37 20.849 27.716 43.152 1.00 3.00 H new ATOM 0 HB3 ALA A 37 20.786 26.756 41.894 1.00 3.00 H new ATOM 296 N PRO A 38 20.661 23.419 44.081 1.00 9.72 N ATOM 297 CA PRO A 38 20.108 21.978 43.860 1.00 9.40 C ATOM 298 C PRO A 38 18.663 21.732 43.324 1.00 10.99 C ATOM 299 O PRO A 38 18.343 20.867 42.419 1.00 20.30 O ATOM 300 CB PRO A 38 20.158 21.247 45.205 1.00 23.74 C ATOM 301 CG PRO A 38 20.872 22.290 46.203 1.00 15.31 C ATOM 302 CD PRO A 38 21.209 23.643 45.449 1.00 6.04 C ATOM 0 HA PRO A 38 20.681 21.670 43.140 1.00 9.40 H new ATOM 0 HB2 PRO A 38 19.268 21.014 45.514 1.00 23.74 H new ATOM 0 HB3 PRO A 38 20.661 20.420 45.139 1.00 23.74 H new ATOM 0 HG2 PRO A 38 20.292 22.471 46.959 1.00 15.31 H new ATOM 0 HG3 PRO A 38 21.686 21.900 46.558 1.00 15.31 H new ATOM 0 HD2 PRO A 38 20.794 24.406 45.880 1.00 6.04 H new ATOM 0 HD3 PRO A 38 22.164 23.813 45.429 1.00 6.04 H new ATOM 303 N ALA A 39 17.851 22.518 43.829 1.00 17.21 N ATOM 304 CA ALA A 39 16.427 22.447 43.425 1.00 18.99 C ATOM 305 C ALA A 39 16.248 22.636 41.931 1.00 15.41 C ATOM 306 O ALA A 39 15.138 22.160 41.398 1.00 16.97 O ATOM 307 CB ALA A 39 15.750 23.518 44.149 1.00 13.98 C ATOM 0 H ALA A 39 18.042 23.121 44.411 1.00 17.21 H new ATOM 0 HA ALA A 39 16.062 21.573 43.634 1.00 18.99 H new ATOM 0 HB1 ALA A 39 14.807 23.518 43.920 1.00 13.98 H new ATOM 0 HB2 ALA A 39 15.851 23.378 45.103 1.00 13.98 H new ATOM 0 HB3 ALA A 39 16.141 24.371 43.905 1.00 13.98 H new ATOM 308 N ALA A 40 17.273 23.350 41.289 1.00 16.99 N ATOM 309 CA ALA A 40 17.164 23.652 39.862 1.00 15.53 C ATOM 310 C ALA A 40 17.030 22.382 38.998 1.00 14.27 C ATOM 311 O ALA A 40 16.730 22.454 37.788 1.00 13.92 O ATOM 312 CB ALA A 40 18.394 24.680 39.385 1.00 14.36 C ATOM 0 H ALA A 40 17.987 23.638 41.672 1.00 16.99 H new ATOM 0 HA ALA A 40 16.333 24.130 39.713 1.00 15.53 H new ATOM 0 HB1 ALA A 40 18.308 24.870 38.438 1.00 14.36 H new ATOM 0 HB2 ALA A 40 18.337 25.508 39.887 1.00 14.36 H new ATOM 0 HB3 ALA A 40 19.251 24.259 39.553 1.00 14.36 H new ATOM 313 N LYS A 41 17.323 21.284 39.589 1.00 16.23 N ATOM 314 CA LYS A 41 17.319 20.017 38.852 1.00 17.68 C ATOM 315 C LYS A 41 15.972 19.597 38.141 1.00 19.08 C ATOM 316 O LYS A 41 15.916 19.206 36.943 1.00 30.57 O ATOM 317 CB LYS A 41 17.544 18.885 39.827 1.00 25.68 C ATOM 318 CG LYS A 41 17.574 17.515 39.132 1.00 30.61 C ATOM 319 CD LYS A 41 17.980 16.476 40.126 1.00 47.82 C ATOM 320 CE LYS A 41 18.012 15.085 39.483 1.00 34.47 C ATOM 321 NZ LYS A 41 16.641 14.443 39.088 0.00 0.00 N ATOM 0 H LYS A 41 17.532 21.219 40.421 1.00 16.23 H new ATOM 0 HA LYS A 41 17.998 20.163 38.175 1.00 17.68 H new ATOM 0 HB2 LYS A 41 18.381 19.026 40.296 1.00 25.68 H new ATOM 0 HB3 LYS A 41 16.841 18.891 40.495 1.00 25.68 H new ATOM 0 HG2 LYS A 41 16.701 17.306 38.766 1.00 30.61 H new ATOM 0 HG3 LYS A 41 18.197 17.530 38.389 1.00 30.61 H new ATOM 0 HD2 LYS A 41 18.855 16.691 40.484 1.00 47.82 H new ATOM 0 HD3 LYS A 41 17.360 16.477 40.872 1.00 47.82 H new ATOM 0 HE2 LYS A 41 18.560 15.136 38.684 1.00 34.47 H new ATOM 0 HE3 LYS A 41 18.460 14.482 40.096 1.00 34.47 H new ATOM 0 HZ1 LYS A 41 16.781 13.642 38.726 0.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.134 14.356 39.814 0.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.227 14.966 38.499 0.00 0.00 H new ATOM 322 N ASP A 42 14.939 19.816 38.865 1.00 17.29 N ATOM 323 CA ASP A 42 13.536 19.442 38.427 1.00 20.67 C ATOM 324 C ASP A 42 13.169 20.178 37.181 1.00 29.65 C ATOM 325 O ASP A 42 12.154 19.663 36.507 1.00 31.23 O ATOM 326 CB ASP A 42 12.579 19.603 39.600 1.00 36.86 C ATOM 327 CG ASP A 42 12.910 18.647 40.695 1.00 62.38 C ATOM 328 OD1 ASP A 42 13.594 19.149 41.683 1.00 55.75 O ATOM 329 OD2 ASP A 42 13.026 17.463 40.346 1.00 52.15 O ATOM 0 H ASP A 42 14.975 20.186 39.640 1.00 17.29 H new ATOM 0 HA ASP A 42 13.480 18.506 38.178 1.00 20.67 H new ATOM 0 HB2 ASP A 42 12.623 20.512 39.935 1.00 36.86 H new ATOM 0 HB3 ASP A 42 11.668 19.455 39.301 1.00 36.86 H new ATOM 330 N LEU A 43 13.980 21.308 36.859 1.00 15.68 N ATOM 331 CA LEU A 43 13.676 22.137 35.718 1.00 4.09 C ATOM 332 C LEU A 43 13.965 21.552 34.362 1.00 24.01 C ATOM 333 O LEU A 43 13.408 21.941 33.341 1.00 22.53 O ATOM 334 CB LEU A 43 14.476 23.589 35.812 1.00 18.44 C ATOM 335 CG LEU A 43 14.093 24.347 37.056 1.00 9.96 C ATOM 336 CD1 LEU A 43 15.069 25.694 37.258 1.00 11.47 C ATOM 337 CD2 LEU A 43 12.610 24.574 36.979 1.00 16.39 C ATOM 0 H LEU A 43 14.671 21.553 37.308 1.00 15.68 H new ATOM 0 HA LEU A 43 12.713 22.234 35.776 1.00 4.09 H new ATOM 0 HB2 LEU A 43 15.433 23.434 35.808 1.00 18.44 H new ATOM 0 HB3 LEU A 43 14.272 24.124 35.029 1.00 18.44 H new ATOM 0 HG LEU A 43 14.256 23.857 37.877 1.00 9.96 H new ATOM 0 HD11 LEU A 43 14.806 26.167 38.063 1.00 11.47 H new ATOM 0 HD12 LEU A 43 15.995 25.414 37.336 1.00 11.47 H new ATOM 0 HD13 LEU A 43 14.972 26.282 36.492 1.00 11.47 H new ATOM 0 HD21 LEU A 43 12.316 25.062 37.764 1.00 16.39 H new ATOM 0 HD22 LEU A 43 12.402 25.088 36.183 1.00 16.39 H new ATOM 0 HD23 LEU A 43 12.153 23.719 36.940 1.00 16.39 H new ATOM 338 N PHE A 44 14.907 20.769 34.352 1.00 17.86 N ATOM 339 CA PHE A 44 15.477 20.271 33.125 1.00 23.68 C ATOM 340 C PHE A 44 15.005 18.758 32.880 1.00 30.50 C ATOM 341 O PHE A 44 15.323 17.910 33.698 1.00 23.00 O ATOM 342 CB PHE A 44 17.042 20.523 33.190 1.00 28.07 C ATOM 343 CG PHE A 44 17.668 22.031 33.366 1.00 22.60 C ATOM 344 CD1 PHE A 44 18.104 22.521 34.607 1.00 19.80 C ATOM 345 CD2 PHE A 44 17.816 22.886 32.278 1.00 17.73 C ATOM 346 CE1 PHE A 44 18.683 23.875 34.769 1.00 21.16 C ATOM 347 CE2 PHE A 44 18.394 24.240 32.430 1.00 13.56 C ATOM 348 CZ PHE A 44 18.829 24.738 33.677 1.00 11.70 C ATOM 0 H PHE A 44 15.285 20.469 35.064 1.00 17.86 H new ATOM 0 HA PHE A 44 15.161 20.739 32.337 1.00 23.68 H new ATOM 0 HB2 PHE A 44 17.382 19.990 33.926 1.00 28.07 H new ATOM 0 HB3 PHE A 44 17.420 20.155 32.376 1.00 28.07 H new ATOM 0 HD1 PHE A 44 18.026 21.975 35.356 1.00 19.80 H new ATOM 0 HD2 PHE A 44 17.545 22.600 31.436 1.00 17.73 H new ATOM 0 HE1 PHE A 44 18.955 24.157 35.613 1.00 21.16 H new ATOM 0 HE2 PHE A 44 18.473 24.781 31.678 1.00 13.56 H new ATOM 0 HZ PHE A 44 19.191 25.590 33.768 1.00 11.70 H new ATOM 349 N SER A 45 14.205 18.469 31.835 1.00 27.01 N ATOM 350 CA SER A 45 13.548 17.101 31.405 1.00 24.95 C ATOM 351 C SER A 45 14.468 16.023 31.419 1.00 21.81 C ATOM 352 O SER A 45 14.032 14.852 31.844 1.00 24.30 O ATOM 353 CB SER A 45 12.964 17.191 29.986 1.00 47.03 C ATOM 354 OG SER A 45 14.011 17.748 29.059 1.00 50.94 O ATOM 0 H SER A 45 13.986 19.092 31.284 1.00 27.01 H new ATOM 0 HA SER A 45 12.850 16.933 32.057 1.00 24.95 H new ATOM 0 HB2 SER A 45 12.682 16.314 29.684 1.00 47.03 H new ATOM 0 HB3 SER A 45 12.178 17.759 29.983 1.00 47.03 H new ATOM 0 HG SER A 45 13.698 17.799 28.281 1.00 50.94 H new ATOM 355 N PHE A 46 15.695 16.392 30.950 1.00 11.58 N ATOM 356 CA PHE A 46 16.678 15.457 30.850 1.00 7.66 C ATOM 357 C PHE A 46 17.413 15.290 32.161 1.00 31.45 C ATOM 358 O PHE A 46 18.190 14.426 32.246 1.00 23.73 O ATOM 359 CB PHE A 46 17.712 15.893 29.716 1.00 18.08 C ATOM 360 CG PHE A 46 18.283 17.421 29.772 1.00 22.25 C ATOM 361 CD1 PHE A 46 17.669 18.321 29.043 1.00 25.56 C ATOM 362 CD2 PHE A 46 19.366 17.899 30.588 1.00 35.77 C ATOM 363 CE1 PHE A 46 18.124 19.704 29.141 1.00 15.84 C ATOM 364 CE2 PHE A 46 19.832 19.280 30.688 1.00 30.44 C ATOM 365 CZ PHE A 46 19.206 20.186 29.967 1.00 18.39 C ATOM 0 H PHE A 46 15.913 17.187 30.703 1.00 11.58 H new ATOM 0 HA PHE A 46 16.267 14.609 30.621 1.00 7.66 H new ATOM 0 HB2 PHE A 46 18.469 15.288 29.751 1.00 18.08 H new ATOM 0 HB3 PHE A 46 17.285 15.763 28.855 1.00 18.08 H new ATOM 0 HD1 PHE A 46 16.966 18.086 28.481 1.00 25.56 H new ATOM 0 HD2 PHE A 46 19.814 17.267 31.103 1.00 35.77 H new ATOM 0 HE1 PHE A 46 17.676 20.333 28.624 1.00 15.84 H new ATOM 0 HE2 PHE A 46 20.544 19.510 31.240 1.00 30.44 H new ATOM 0 HZ PHE A 46 19.446 21.084 29.988 1.00 18.39 H new ATOM 366 N LEU A 47 17.147 16.051 33.168 1.00 25.18 N ATOM 367 CA LEU A 47 17.739 15.891 34.496 1.00 23.25 C ATOM 368 C LEU A 47 16.688 15.135 35.442 1.00 38.78 C ATOM 369 O LEU A 47 17.055 14.439 36.379 1.00 29.63 O ATOM 370 CB LEU A 47 18.314 17.256 35.155 1.00 20.18 C ATOM 371 CG LEU A 47 19.535 18.052 34.407 1.00 33.09 C ATOM 372 CD1 LEU A 47 20.012 19.419 35.106 1.00 25.63 C ATOM 373 CD2 LEU A 47 20.693 17.220 34.243 1.00 20.01 C ATOM 0 H LEU A 47 16.596 16.710 33.119 1.00 25.18 H new ATOM 0 HA LEU A 47 18.537 15.348 34.396 1.00 23.25 H new ATOM 0 HB2 LEU A 47 17.571 17.874 35.240 1.00 20.18 H new ATOM 0 HB3 LEU A 47 18.611 17.044 36.054 1.00 20.18 H new ATOM 0 HG LEU A 47 19.141 18.289 33.553 1.00 33.09 H new ATOM 0 HD11 LEU A 47 20.734 19.812 34.591 1.00 25.63 H new ATOM 0 HD12 LEU A 47 19.268 20.040 35.144 1.00 25.63 H new ATOM 0 HD13 LEU A 47 20.323 19.231 36.006 1.00 25.63 H new ATOM 0 HD21 LEU A 47 21.393 17.723 33.798 1.00 20.01 H new ATOM 0 HD22 LEU A 47 21.008 16.928 35.113 1.00 20.01 H new ATOM 0 HD23 LEU A 47 20.462 16.445 33.707 1.00 20.01 H new ATOM 374 N LYS A 48 15.433 15.311 35.197 1.00 54.84 N ATOM 375 CA LYS A 48 14.286 14.640 35.997 1.00 58.72 C ATOM 376 C LYS A 48 14.173 13.108 35.914 1.00 52.47 C ATOM 377 O LYS A 48 14.186 12.539 34.794 1.00 51.34 O ATOM 378 CB LYS A 48 12.929 14.989 35.497 1.00 46.78 C ATOM 379 CG LYS A 48 12.860 16.511 35.534 0.00 0.00 C ATOM 380 CD LYS A 48 11.460 16.762 35.057 0.00 0.00 C ATOM 381 CE LYS A 48 11.066 16.056 33.712 0.00 0.00 C ATOM 382 NZ LYS A 48 9.744 16.339 33.266 0.00 0.00 N ATOM 0 H LYS A 48 15.151 15.820 34.564 1.00 54.84 H new ATOM 0 HA LYS A 48 14.526 14.961 36.880 1.00 58.72 H new ATOM 0 HB2 LYS A 48 12.792 14.655 34.597 1.00 46.78 H new ATOM 0 HB3 LYS A 48 12.240 14.595 36.054 1.00 46.78 H new ATOM 0 HG2 LYS A 48 13.009 16.861 36.426 0.00 0.00 H new ATOM 0 HG3 LYS A 48 13.521 16.920 34.954 0.00 0.00 H new ATOM 0 HD2 LYS A 48 10.843 16.474 35.748 0.00 0.00 H new ATOM 0 HD3 LYS A 48 11.338 17.718 34.950 0.00 0.00 H new ATOM 0 HE2 LYS A 48 11.693 16.325 33.022 0.00 0.00 H new ATOM 0 HE3 LYS A 48 11.160 15.097 33.823 0.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.589 15.908 32.503 0.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.159 16.071 33.881 0.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.656 17.215 33.135 0.00 0.00 H new ATOM 383 N GLY A 49 14.103 12.476 37.061 1.00 50.04 N ATOM 384 CA GLY A 49 13.952 11.001 37.122 1.00 56.75 C ATOM 385 C GLY A 49 15.306 10.502 37.201 1.00 56.47 C ATOM 386 O GLY A 49 15.354 9.369 37.725 1.00 55.25 O ATOM 0 H GLY A 49 14.139 12.863 37.828 1.00 50.04 H new ATOM 0 HA2 GLY A 49 13.430 10.731 37.894 1.00 56.75 H new ATOM 0 HA3 GLY A 49 13.495 10.660 36.337 1.00 56.75 H new ATOM 387 N THR A 50 16.387 11.354 36.808 1.00 36.42 N ATOM 388 CA THR A 50 17.726 10.967 37.003 1.00 52.91 C ATOM 389 C THR A 50 18.177 11.178 38.456 1.00 54.74 C ATOM 390 O THR A 50 17.603 11.923 39.195 1.00 51.17 O ATOM 391 CB THR A 50 18.814 11.764 36.081 1.00 51.15 C ATOM 392 OG1 THR A 50 19.226 13.113 36.576 1.00 38.59 O ATOM 393 CG2 THR A 50 18.350 11.803 34.615 1.00 33.91 C ATOM 0 H THR A 50 16.286 12.126 36.442 1.00 36.42 H new ATOM 0 HA THR A 50 17.717 10.031 36.750 1.00 52.91 H new ATOM 0 HB THR A 50 19.631 11.245 36.149 1.00 51.15 H new ATOM 0 HG1 THR A 50 18.543 13.585 36.705 1.00 38.59 H new ATOM 0 HG21 THR A 50 19.005 12.279 34.081 1.00 33.91 H new ATOM 0 HG22 THR A 50 18.257 10.897 34.281 1.00 33.91 H new ATOM 0 HG23 THR A 50 17.495 12.258 34.558 1.00 33.91 H new ATOM 394 N SER A 51 19.181 10.592 38.863 1.00 50.72 N ATOM 395 CA SER A 51 19.732 10.842 40.217 1.00 48.81 C ATOM 396 C SER A 51 21.088 11.784 40.177 1.00 55.28 C ATOM 397 O SER A 51 21.311 12.820 40.910 1.00 54.87 O ATOM 398 CB SER A 51 19.948 9.518 40.898 1.00 57.98 C ATOM 399 OG SER A 51 20.589 9.842 42.167 0.00 0.00 O ATOM 0 H SER A 51 19.619 10.013 38.402 1.00 50.72 H new ATOM 0 HA SER A 51 19.095 11.356 40.738 1.00 48.81 H new ATOM 0 HB2 SER A 51 19.107 9.055 41.038 1.00 57.98 H new ATOM 0 HB3 SER A 51 20.507 8.935 40.361 1.00 57.98 H new ATOM 0 HG SER A 51 20.735 9.135 42.596 0.00 0.00 H new ATOM 400 N GLU A 52 21.863 11.515 39.194 1.00 38.89 N ATOM 401 CA GLU A 52 23.109 12.408 38.824 1.00 48.82 C ATOM 402 C GLU A 52 22.939 13.073 37.479 1.00 51.97 C ATOM 403 O GLU A 52 22.027 12.542 36.689 1.00 37.49 O ATOM 404 CB GLU A 52 24.288 11.601 38.739 1.00 45.12 C ATOM 405 CG GLU A 52 24.543 10.928 40.080 0.00 0.00 C ATOM 406 CD GLU A 52 25.733 10.167 39.915 0.00 0.00 C ATOM 407 OE1 GLU A 52 26.573 10.499 38.989 0.00 0.00 O ATOM 408 OE2 GLU A 52 26.054 9.459 40.864 0.00 0.00 O ATOM 0 H GLU A 52 21.755 10.836 38.677 1.00 38.89 H new ATOM 0 HA GLU A 52 23.186 13.079 39.520 1.00 48.82 H new ATOM 0 HB2 GLU A 52 24.183 10.931 38.045 1.00 45.12 H new ATOM 0 HB3 GLU A 52 25.049 12.149 38.492 1.00 45.12 H new ATOM 0 HG2 GLU A 52 24.646 11.586 40.785 0.00 0.00 H new ATOM 0 HG3 GLU A 52 23.798 10.359 40.330 0.00 0.00 H new ATOM 409 N VAL A 53 23.842 14.139 37.196 1.00 25.03 N ATOM 410 CA VAL A 53 23.901 14.757 35.871 1.00 19.22 C ATOM 411 C VAL A 53 24.536 13.883 34.881 1.00 20.19 C ATOM 412 O VAL A 53 25.578 13.406 35.204 1.00 20.43 O ATOM 413 CB VAL A 53 24.703 16.216 35.955 1.00 27.46 C ATOM 414 CG1 VAL A 53 24.882 16.936 34.591 1.00 17.31 C ATOM 415 CG2 VAL A 53 24.058 17.069 36.979 1.00 18.64 C ATOM 0 H VAL A 53 24.389 14.472 37.770 1.00 25.03 H new ATOM 0 HA VAL A 53 22.988 14.907 35.578 1.00 19.22 H new ATOM 0 HB VAL A 53 25.616 16.029 36.225 1.00 27.46 H new ATOM 0 HG11 VAL A 53 25.355 17.772 34.726 1.00 17.31 H new ATOM 0 HG12 VAL A 53 25.392 16.370 33.990 1.00 17.31 H new ATOM 0 HG13 VAL A 53 24.011 17.116 34.203 1.00 17.31 H new ATOM 0 HG21 VAL A 53 24.522 17.919 37.031 1.00 18.64 H new ATOM 0 HG22 VAL A 53 23.131 17.221 36.737 1.00 18.64 H new ATOM 0 HG23 VAL A 53 24.098 16.626 37.841 1.00 18.64 H new ATOM 416 N PRO A 54 23.774 13.457 33.842 1.00 17.30 N ATOM 417 CA PRO A 54 24.207 12.645 32.744 1.00 10.26 C ATOM 418 C PRO A 54 25.515 13.360 32.104 1.00 19.13 C ATOM 419 O PRO A 54 25.740 14.632 32.009 1.00 23.53 O ATOM 420 CB PRO A 54 23.097 12.504 31.668 1.00 16.15 C ATOM 421 CG PRO A 54 22.051 13.369 32.119 1.00 14.66 C ATOM 422 CD PRO A 54 22.460 13.875 33.534 1.00 6.66 C ATOM 0 HA PRO A 54 24.413 11.750 33.057 1.00 10.26 H new ATOM 0 HB2 PRO A 54 23.419 12.766 30.791 1.00 16.15 H new ATOM 0 HB3 PRO A 54 22.790 11.587 31.595 1.00 16.15 H new ATOM 0 HG2 PRO A 54 21.934 14.114 31.509 1.00 14.66 H new ATOM 0 HG3 PRO A 54 21.205 12.896 32.155 1.00 14.66 H new ATOM 0 HD2 PRO A 54 22.406 14.843 33.567 1.00 6.66 H new ATOM 0 HD3 PRO A 54 21.841 13.533 34.198 1.00 6.66 H new ATOM 423 N GLN A 55 26.395 12.592 31.762 1.00 15.93 N ATOM 424 CA GLN A 55 27.710 13.217 31.228 1.00 21.47 C ATOM 425 C GLN A 55 27.752 13.297 29.707 1.00 17.13 C ATOM 426 O GLN A 55 28.503 14.257 29.130 1.00 26.69 O ATOM 427 CB GLN A 55 28.819 12.473 31.767 1.00 23.43 C ATOM 428 CG GLN A 55 28.609 12.192 33.271 1.00 27.93 C ATOM 429 CD GLN A 55 29.916 11.870 33.875 1.00 51.96 C ATOM 430 OE1 GLN A 55 31.028 12.456 33.408 1.00 52.22 O ATOM 431 NE2 GLN A 55 29.775 11.383 35.098 1.00 54.74 N ATOM 0 H GLN A 55 26.360 11.733 31.787 1.00 15.93 H new ATOM 0 HA GLN A 55 27.763 14.139 31.525 1.00 21.47 H new ATOM 0 HB2 GLN A 55 28.916 11.636 31.287 1.00 23.43 H new ATOM 0 HB3 GLN A 55 29.641 12.971 31.638 1.00 23.43 H new ATOM 0 HG2 GLN A 55 28.218 12.965 33.707 1.00 27.93 H new ATOM 0 HG3 GLN A 55 27.991 11.455 33.393 1.00 27.93 H new ATOM 0 HE21 GLN A 55 29.032 11.019 35.333 1.00 54.74 H new ATOM 0 HE22 GLN A 55 30.426 11.431 35.658 1.00 54.74 H new ATOM 432 N ASN A 56 27.000 12.283 29.081 1.00 18.33 N ATOM 433 CA ASN A 56 26.974 12.135 27.617 1.00 11.51 C ATOM 434 C ASN A 56 25.576 12.128 27.014 1.00 11.94 C ATOM 435 O ASN A 56 25.155 11.274 26.127 1.00 15.67 O ATOM 436 CB ASN A 56 27.431 10.787 27.208 1.00 6.45 C ATOM 437 CG ASN A 56 28.906 10.802 27.596 1.00 20.52 C ATOM 438 OD1 ASN A 56 29.164 10.401 28.746 1.00 22.69 O ATOM 439 ND2 ASN A 56 29.754 11.704 26.928 1.00 17.31 N ATOM 0 H ASN A 56 26.524 11.706 29.505 1.00 18.33 H new ATOM 0 HA ASN A 56 27.517 12.882 27.321 1.00 11.51 H new ATOM 0 HB2 ASN A 56 26.944 10.086 27.669 1.00 6.45 H new ATOM 0 HB3 ASN A 56 27.310 10.638 26.257 1.00 6.45 H new ATOM 0 HD21 ASN A 56 30.467 11.990 27.314 1.00 17.31 H new ATOM 0 HD22 ASN A 56 29.559 11.970 26.134 1.00 17.31 H new ATOM 440 N ASN A 57 24.894 13.059 27.448 1.00 4.66 N ATOM 441 CA ASN A 57 23.549 13.201 26.935 1.00 9.03 C ATOM 442 C ASN A 57 23.633 14.380 25.954 1.00 8.79 C ATOM 443 O ASN A 57 24.045 15.562 26.361 1.00 20.42 O ATOM 444 CB ASN A 57 22.609 13.439 28.101 1.00 12.97 C ATOM 445 CG ASN A 57 21.152 13.375 27.609 1.00 16.60 C ATOM 446 OD1 ASN A 57 20.843 14.329 26.922 1.00 15.53 O ATOM 447 ND2 ASN A 57 20.249 12.587 28.339 1.00 19.75 N ATOM 0 H ASN A 57 25.143 13.639 28.033 1.00 4.66 H new ATOM 0 HA ASN A 57 23.204 12.419 26.476 1.00 9.03 H new ATOM 0 HB2 ASN A 57 22.757 12.772 28.790 1.00 12.97 H new ATOM 0 HB3 ASN A 57 22.787 14.304 28.501 1.00 12.97 H new ATOM 0 HD21 ASN A 57 19.408 12.767 28.319 1.00 19.75 H new ATOM 0 HD22 ASN A 57 20.536 11.924 28.806 1.00 19.75 H new ATOM 448 N PRO A 58 23.290 14.072 24.711 1.00 17.24 N ATOM 449 CA PRO A 58 23.456 15.062 23.608 1.00 8.79 C ATOM 450 C PRO A 58 22.552 16.143 23.714 1.00 12.84 C ATOM 451 O PRO A 58 22.929 17.279 23.179 1.00 13.86 O ATOM 452 CB PRO A 58 23.151 14.276 22.292 1.00 13.85 C ATOM 453 CG PRO A 58 22.738 12.780 22.669 1.00 17.46 C ATOM 454 CD PRO A 58 22.826 12.689 24.201 1.00 24.74 C ATOM 0 HA PRO A 58 24.349 15.441 23.634 1.00 8.79 H new ATOM 0 HB2 PRO A 58 22.435 14.708 21.801 1.00 13.85 H new ATOM 0 HB3 PRO A 58 23.930 14.274 21.714 1.00 13.85 H new ATOM 0 HG2 PRO A 58 21.841 12.579 22.360 1.00 17.46 H new ATOM 0 HG3 PRO A 58 23.333 12.139 22.248 1.00 17.46 H new ATOM 0 HD2 PRO A 58 21.965 12.455 24.581 1.00 24.74 H new ATOM 0 HD3 PRO A 58 23.451 11.997 24.468 1.00 24.74 H new ATOM 455 N GLU A 59 21.402 15.812 24.375 1.00 15.81 N ATOM 456 CA GLU A 59 20.516 16.823 24.588 1.00 8.88 C ATOM 457 C GLU A 59 21.226 17.876 25.549 1.00 8.12 C ATOM 458 O GLU A 59 21.228 19.108 25.330 1.00 11.75 O ATOM 459 CB GLU A 59 19.167 16.235 25.278 1.00 6.31 C ATOM 460 CG GLU A 59 17.928 16.083 24.348 1.00 45.71 C ATOM 461 CD GLU A 59 16.653 15.823 25.215 1.00 60.92 C ATOM 462 OE1 GLU A 59 16.008 16.781 25.414 1.00 54.60 O ATOM 463 OE2 GLU A 59 16.508 14.861 26.040 1.00 51.00 O ATOM 0 H GLU A 59 21.183 15.034 24.668 1.00 15.81 H new ATOM 0 HA GLU A 59 20.261 17.247 23.754 1.00 8.88 H new ATOM 0 HB2 GLU A 59 19.372 15.366 25.656 1.00 6.31 H new ATOM 0 HB3 GLU A 59 18.924 16.816 26.016 1.00 6.31 H new ATOM 0 HG2 GLU A 59 17.811 16.885 23.816 1.00 45.71 H new ATOM 0 HG3 GLU A 59 18.065 15.349 23.729 1.00 45.71 H new ATOM 464 N LEU A 60 21.739 17.373 26.603 1.00 13.26 N ATOM 465 CA LEU A 60 22.419 18.260 27.643 1.00 9.25 C ATOM 466 C LEU A 60 23.629 19.197 27.052 1.00 17.02 C ATOM 467 O LEU A 60 23.788 20.449 27.281 1.00 17.28 O ATOM 468 CB LEU A 60 22.874 17.387 28.774 1.00 17.03 C ATOM 469 CG LEU A 60 23.564 18.206 29.962 1.00 16.91 C ATOM 470 CD1 LEU A 60 23.085 17.519 31.294 1.00 15.69 C ATOM 471 CD2 LEU A 60 25.127 18.450 29.864 1.00 13.35 C ATOM 0 H LEU A 60 21.736 16.534 26.791 1.00 13.26 H new ATOM 0 HA LEU A 60 21.768 18.907 27.957 1.00 9.25 H new ATOM 0 HB2 LEU A 60 22.113 16.899 29.125 1.00 17.03 H new ATOM 0 HB3 LEU A 60 23.501 16.729 28.435 1.00 17.03 H new ATOM 0 HG LEU A 60 23.273 19.130 29.913 1.00 16.91 H new ATOM 0 HD11 LEU A 60 23.476 17.978 32.054 1.00 15.69 H new ATOM 0 HD12 LEU A 60 22.118 17.564 31.352 1.00 15.69 H new ATOM 0 HD13 LEU A 60 23.366 16.591 31.299 1.00 15.69 H new ATOM 0 HD21 LEU A 60 25.425 18.954 30.637 1.00 13.35 H new ATOM 0 HD22 LEU A 60 25.587 17.596 29.838 1.00 13.35 H new ATOM 0 HD23 LEU A 60 25.327 18.949 29.057 1.00 13.35 H new ATOM 472 N GLN A 61 24.393 18.599 26.251 1.00 17.97 N ATOM 473 CA GLN A 61 25.603 19.355 25.605 1.00 7.53 C ATOM 474 C GLN A 61 25.262 20.434 24.647 1.00 16.97 C ATOM 475 O GLN A 61 25.942 21.610 24.683 1.00 10.55 O ATOM 476 CB GLN A 61 26.403 18.376 24.885 1.00 8.43 C ATOM 477 CG GLN A 61 26.993 17.474 25.906 1.00 9.40 C ATOM 478 CD GLN A 61 27.665 16.404 25.201 1.00 17.67 C ATOM 479 OE1 GLN A 61 27.985 15.447 25.879 1.00 23.38 O ATOM 480 NE2 GLN A 61 27.461 16.319 23.904 1.00 9.22 N ATOM 0 H GLN A 61 24.308 17.776 26.015 1.00 17.97 H new ATOM 0 HA GLN A 61 26.061 19.788 26.342 1.00 7.53 H new ATOM 0 HB2 GLN A 61 25.855 17.877 24.259 1.00 8.43 H new ATOM 0 HB3 GLN A 61 27.098 18.812 24.368 1.00 8.43 H new ATOM 0 HG2 GLN A 61 27.618 17.957 26.469 1.00 9.40 H new ATOM 0 HG3 GLN A 61 26.303 17.119 26.488 1.00 9.40 H new ATOM 0 HE21 GLN A 61 27.235 17.019 23.457 1.00 9.22 H new ATOM 0 HE22 GLN A 61 27.553 15.564 23.503 1.00 9.22 H new ATOM 481 N ALA A 62 24.200 20.052 23.877 1.00 15.61 N ATOM 482 CA ALA A 62 23.767 20.977 22.892 1.00 15.33 C ATOM 483 C ALA A 62 23.249 22.152 23.565 1.00 13.21 C ATOM 484 O ALA A 62 23.714 23.348 23.233 1.00 19.15 O ATOM 485 CB ALA A 62 22.647 20.231 21.984 1.00 18.20 C ATOM 0 H ALA A 62 23.769 19.310 23.929 1.00 15.61 H new ATOM 0 HA ALA A 62 24.487 21.269 22.311 1.00 15.33 H new ATOM 0 HB1 ALA A 62 22.329 20.839 21.298 1.00 18.20 H new ATOM 0 HB2 ALA A 62 23.038 19.448 21.566 1.00 18.20 H new ATOM 0 HB3 ALA A 62 21.904 19.960 22.545 1.00 18.20 H new ATOM 486 N HIS A 63 22.448 21.802 24.582 1.00 13.44 N ATOM 487 CA HIS A 63 21.901 22.783 25.414 1.00 9.03 C ATOM 488 C HIS A 63 22.995 23.825 26.070 1.00 12.96 C ATOM 489 O HIS A 63 22.990 25.072 25.927 1.00 17.10 O ATOM 490 CB HIS A 63 21.012 22.006 26.503 1.00 3.38 C ATOM 491 CG HIS A 63 19.515 21.665 26.073 1.00 14.97 C ATOM 492 ND1 HIS A 63 18.546 22.318 26.670 1.00 22.15 N ATOM 493 CD2 HIS A 63 18.904 20.780 25.164 1.00 30.49 C ATOM 494 CE1 HIS A 63 17.284 21.804 26.101 1.00 10.53 C ATOM 495 NE2 HIS A 63 17.511 20.831 25.153 1.00 16.73 N ATOM 0 H HIS A 63 22.230 20.994 24.778 1.00 13.44 H new ATOM 0 HA HIS A 63 21.353 23.387 24.889 1.00 9.03 H new ATOM 0 HB2 HIS A 63 21.461 21.176 26.728 1.00 3.38 H new ATOM 0 HB3 HIS A 63 20.983 22.541 27.311 1.00 3.38 H new ATOM 0 HD1 HIS A 63 18.629 22.925 27.273 1.00 22.15 H new ATOM 0 HD2 HIS A 63 19.390 20.208 24.615 1.00 30.49 H new ATOM 0 HE1 HIS A 63 16.439 22.101 26.352 1.00 10.53 H new ATOM 496 N ALA A 64 23.877 23.340 26.810 1.00 17.20 N ATOM 497 CA ALA A 64 24.913 24.261 27.543 1.00 7.35 C ATOM 498 C ALA A 64 25.879 25.147 26.601 1.00 16.06 C ATOM 499 O ALA A 64 26.099 26.409 26.770 1.00 19.08 O ATOM 500 CB ALA A 64 25.709 23.459 28.476 1.00 5.94 C ATOM 0 H ALA A 64 23.973 22.499 26.962 1.00 17.20 H new ATOM 0 HA ALA A 64 24.373 24.919 28.008 1.00 7.35 H new ATOM 0 HB1 ALA A 64 26.349 24.030 28.929 1.00 5.94 H new ATOM 0 HB2 ALA A 64 25.123 23.048 29.131 1.00 5.94 H new ATOM 0 HB3 ALA A 64 26.182 22.768 27.987 1.00 5.94 H new ATOM 501 N GLY A 65 26.238 24.514 25.533 1.00 15.05 N ATOM 502 CA GLY A 65 27.067 25.195 24.437 1.00 15.50 C ATOM 503 C GLY A 65 26.516 26.410 23.864 1.00 25.79 C ATOM 504 O GLY A 65 27.306 27.492 23.609 1.00 21.44 O ATOM 0 H GLY A 65 26.041 23.693 25.372 1.00 15.05 H new ATOM 0 HA2 GLY A 65 27.941 25.402 24.803 1.00 15.50 H new ATOM 0 HA3 GLY A 65 27.204 24.557 23.720 1.00 15.50 H new ATOM 505 N LYS A 66 25.198 26.236 23.683 1.00 16.57 N ATOM 506 CA LYS A 66 24.526 27.304 23.119 1.00 15.85 C ATOM 507 C LYS A 66 24.550 28.517 24.045 1.00 21.95 C ATOM 508 O LYS A 66 24.664 29.689 23.557 1.00 15.86 O ATOM 509 CB LYS A 66 23.049 26.734 22.739 1.00 9.55 C ATOM 510 CG LYS A 66 22.992 25.763 21.542 1.00 62.72 C ATOM 511 CD LYS A 66 21.541 25.027 21.271 1.00 66.28 C ATOM 512 CE LYS A 66 20.565 26.037 21.011 1.00 60.99 C ATOM 513 NZ LYS A 66 19.214 25.299 20.667 1.00 59.41 N ATOM 0 H LYS A 66 24.735 25.538 23.879 1.00 16.57 H new ATOM 0 HA LYS A 66 24.944 27.643 22.312 1.00 15.85 H new ATOM 0 HB2 LYS A 66 22.685 26.283 23.517 1.00 9.55 H new ATOM 0 HB3 LYS A 66 22.469 27.488 22.550 1.00 9.55 H new ATOM 0 HG2 LYS A 66 23.241 26.251 20.741 1.00 62.72 H new ATOM 0 HG3 LYS A 66 23.663 25.075 21.675 1.00 62.72 H new ATOM 0 HD2 LYS A 66 21.606 24.419 20.518 1.00 66.28 H new ATOM 0 HD3 LYS A 66 21.282 24.498 22.041 1.00 66.28 H new ATOM 0 HE2 LYS A 66 20.454 26.613 21.783 1.00 60.99 H new ATOM 0 HE3 LYS A 66 20.844 26.602 20.274 1.00 60.99 H new ATOM 0 HZ1 LYS A 66 18.581 25.901 20.499 1.00 59.41 H new ATOM 0 HZ2 LYS A 66 19.331 24.784 19.951 1.00 59.41 H new ATOM 0 HZ3 LYS A 66 18.967 24.795 21.357 1.00 59.41 H new ATOM 514 N VAL A 67 24.469 28.245 25.333 1.00 16.43 N ATOM 515 CA VAL A 67 24.541 29.353 26.307 1.00 22.43 C ATOM 516 C VAL A 67 25.931 30.252 26.309 1.00 16.79 C ATOM 517 O VAL A 67 26.015 31.521 26.240 1.00 12.86 O ATOM 518 CB VAL A 67 24.145 28.809 27.721 1.00 25.36 C ATOM 519 CG1 VAL A 67 24.389 29.917 28.812 1.00 10.69 C ATOM 520 CG2 VAL A 67 22.662 28.085 27.731 1.00 10.58 C ATOM 0 H VAL A 67 24.375 27.459 25.670 1.00 16.43 H new ATOM 0 HA VAL A 67 23.897 30.017 26.014 1.00 22.43 H new ATOM 0 HB VAL A 67 24.732 28.076 27.965 1.00 25.36 H new ATOM 0 HG11 VAL A 67 24.141 29.573 29.684 1.00 10.69 H new ATOM 0 HG12 VAL A 67 25.327 30.165 28.817 1.00 10.69 H new ATOM 0 HG13 VAL A 67 23.849 30.697 28.608 1.00 10.69 H new ATOM 0 HG21 VAL A 67 22.463 27.766 28.625 1.00 10.58 H new ATOM 0 HG22 VAL A 67 21.987 28.726 27.459 1.00 10.58 H new ATOM 0 HG23 VAL A 67 22.663 27.336 27.114 1.00 10.58 H new ATOM 521 N PHE A 68 26.972 29.597 26.282 1.00 8.63 N ATOM 522 CA PHE A 68 28.368 30.327 26.258 1.00 6.54 C ATOM 523 C PHE A 68 28.675 31.103 24.953 1.00 23.07 C ATOM 524 O PHE A 68 29.346 32.285 24.968 1.00 21.39 O ATOM 525 CB PHE A 68 29.394 29.357 26.476 1.00 4.75 C ATOM 526 CG PHE A 68 29.531 29.003 27.965 1.00 15.05 C ATOM 527 CD1 PHE A 68 30.639 29.625 28.681 1.00 12.40 C ATOM 528 CD2 PHE A 68 28.572 28.046 28.573 1.00 11.18 C ATOM 529 CE1 PHE A 68 30.794 29.291 30.012 1.00 6.16 C ATOM 530 CE2 PHE A 68 28.716 27.705 29.904 1.00 5.77 C ATOM 531 CZ PHE A 68 29.831 28.327 30.624 1.00 19.55 C ATOM 0 H PHE A 68 27.010 28.738 26.275 1.00 8.63 H new ATOM 0 HA PHE A 68 28.336 30.995 26.961 1.00 6.54 H new ATOM 0 HB2 PHE A 68 29.195 28.554 25.969 1.00 4.75 H new ATOM 0 HB3 PHE A 68 30.239 29.699 26.145 1.00 4.75 H new ATOM 0 HD1 PHE A 68 31.216 30.220 28.260 1.00 12.40 H new ATOM 0 HD2 PHE A 68 27.884 27.681 28.065 1.00 11.18 H new ATOM 0 HE1 PHE A 68 31.483 29.658 30.517 1.00 6.16 H new ATOM 0 HE2 PHE A 68 28.135 27.111 30.322 1.00 5.77 H new ATOM 0 HZ PHE A 68 29.946 28.107 31.520 1.00 19.55 H new ATOM 532 N LYS A 69 28.062 30.514 23.892 1.00 17.68 N ATOM 533 CA LYS A 69 28.228 31.176 22.583 1.00 8.79 C ATOM 534 C LYS A 69 27.598 32.458 22.525 1.00 5.23 C ATOM 535 O LYS A 69 28.208 33.481 21.922 1.00 17.38 O ATOM 536 CB LYS A 69 27.620 30.234 21.447 1.00 12.94 C ATOM 537 CG LYS A 69 28.321 30.685 20.113 1.00 28.62 C ATOM 538 CD LYS A 69 27.536 30.012 18.903 1.00 43.46 C ATOM 539 CE LYS A 69 26.125 30.429 18.816 1.00 56.97 C ATOM 540 NZ LYS A 69 25.446 29.919 17.573 0.00 0.00 N ATOM 0 H LYS A 69 27.588 29.796 23.907 1.00 17.68 H new ATOM 0 HA LYS A 69 29.177 31.320 22.446 1.00 8.79 H new ATOM 0 HB2 LYS A 69 27.797 29.299 21.636 1.00 12.94 H new ATOM 0 HB3 LYS A 69 26.657 30.334 21.387 1.00 12.94 H new ATOM 0 HG2 LYS A 69 28.308 31.651 20.032 1.00 28.62 H new ATOM 0 HG3 LYS A 69 29.252 30.412 20.109 1.00 28.62 H new ATOM 0 HD2 LYS A 69 27.984 30.235 18.072 1.00 43.46 H new ATOM 0 HD3 LYS A 69 27.576 29.047 18.997 1.00 43.46 H new ATOM 0 HE2 LYS A 69 25.647 30.107 19.597 1.00 56.97 H new ATOM 0 HE3 LYS A 69 26.076 31.398 18.833 1.00 56.97 H new ATOM 0 HZ1 LYS A 69 24.600 30.194 17.563 0.00 0.00 H new ATOM 0 HZ2 LYS A 69 25.868 30.232 16.854 0.00 0.00 H new ATOM 0 HZ3 LYS A 69 25.469 29.029 17.566 0.00 0.00 H new ATOM 541 N LEU A 70 26.441 32.408 23.173 1.00 11.86 N ATOM 542 CA LEU A 70 25.754 33.595 23.234 1.00 10.49 C ATOM 543 C LEU A 70 26.520 34.734 24.086 1.00 19.15 C ATOM 544 O LEU A 70 26.557 35.941 23.722 1.00 12.05 O ATOM 545 CB LEU A 70 24.283 33.259 23.734 1.00 9.71 C ATOM 546 CG LEU A 70 23.316 32.469 22.701 1.00 23.19 C ATOM 547 CD1 LEU A 70 21.850 32.176 23.238 1.00 23.52 C ATOM 548 CD2 LEU A 70 23.379 33.214 21.348 1.00 21.97 C ATOM 0 H LEU A 70 26.084 31.723 23.551 1.00 11.86 H new ATOM 0 HA LEU A 70 25.700 34.003 22.356 1.00 10.49 H new ATOM 0 HB2 LEU A 70 24.354 32.731 24.544 1.00 9.71 H new ATOM 0 HB3 LEU A 70 23.849 34.092 23.975 1.00 9.71 H new ATOM 0 HG LEU A 70 23.645 31.564 22.585 1.00 23.19 H new ATOM 0 HD11 LEU A 70 21.345 31.703 22.558 1.00 23.52 H new ATOM 0 HD12 LEU A 70 21.901 31.632 24.039 1.00 23.52 H new ATOM 0 HD13 LEU A 70 21.407 33.014 23.445 1.00 23.52 H new ATOM 0 HD21 LEU A 70 22.809 32.765 20.704 1.00 21.97 H new ATOM 0 HD22 LEU A 70 23.075 34.127 21.467 1.00 21.97 H new ATOM 0 HD23 LEU A 70 24.293 33.218 21.023 1.00 21.97 H new ATOM 549 N VAL A 71 27.201 34.371 25.114 1.00 10.33 N ATOM 550 CA VAL A 71 28.026 35.427 25.917 1.00 9.18 C ATOM 551 C VAL A 71 29.366 36.030 25.250 1.00 22.07 C ATOM 552 O VAL A 71 29.710 37.298 25.220 1.00 13.38 O ATOM 553 CB VAL A 71 28.203 34.994 27.382 1.00 7.38 C ATOM 554 CG1 VAL A 71 29.031 36.151 28.198 1.00 5.53 C ATOM 555 CG2 VAL A 71 26.822 34.530 28.062 1.00 3.00 C ATOM 0 H VAL A 71 27.246 33.566 25.413 1.00 10.33 H new ATOM 0 HA VAL A 71 27.462 36.216 25.883 1.00 9.18 H new ATOM 0 HB VAL A 71 28.744 34.189 27.419 1.00 7.38 H new ATOM 0 HG11 VAL A 71 29.143 35.878 29.122 1.00 5.53 H new ATOM 0 HG12 VAL A 71 29.902 36.274 27.790 1.00 5.53 H new ATOM 0 HG13 VAL A 71 28.538 36.986 28.165 1.00 5.53 H new ATOM 0 HG21 VAL A 71 26.986 34.268 28.981 1.00 3.00 H new ATOM 0 HG22 VAL A 71 26.189 35.265 28.044 1.00 3.00 H new ATOM 0 HG23 VAL A 71 26.457 33.777 27.572 1.00 3.00 H new ATOM 556 N TYR A 72 29.957 35.177 24.532 1.00 5.63 N ATOM 557 CA TYR A 72 31.123 35.619 23.645 1.00 13.25 C ATOM 558 C TYR A 72 30.770 36.595 22.580 1.00 13.77 C ATOM 559 O TYR A 72 31.550 37.698 22.374 1.00 20.79 O ATOM 560 CB TYR A 72 31.593 34.366 22.995 1.00 12.05 C ATOM 561 CG TYR A 72 32.440 34.647 21.701 1.00 10.56 C ATOM 562 CD1 TYR A 72 31.870 34.209 20.487 1.00 17.05 C ATOM 563 CD2 TYR A 72 33.756 35.326 21.746 1.00 11.28 C ATOM 564 CE1 TYR A 72 32.610 34.459 19.313 1.00 24.12 C ATOM 565 CE2 TYR A 72 34.503 35.578 20.577 1.00 12.32 C ATOM 566 CZ TYR A 72 33.929 35.146 19.364 1.00 21.19 C ATOM 567 OH TYR A 72 34.716 35.384 18.161 1.00 35.08 O ATOM 0 H TYR A 72 29.759 34.341 24.493 1.00 5.63 H new ATOM 0 HA TYR A 72 31.779 36.075 24.195 1.00 13.25 H new ATOM 0 HB2 TYR A 72 32.128 33.858 23.625 1.00 12.05 H new ATOM 0 HB3 TYR A 72 30.827 33.817 22.765 1.00 12.05 H new ATOM 0 HD1 TYR A 72 31.047 33.777 20.462 1.00 17.05 H new ATOM 0 HD2 TYR A 72 34.099 35.593 22.568 1.00 11.28 H new ATOM 0 HE1 TYR A 72 32.267 34.189 18.492 1.00 24.12 H new ATOM 0 HE2 TYR A 72 35.328 36.005 20.605 1.00 12.32 H new ATOM 0 HH TYR A 72 35.428 35.780 18.365 1.00 35.08 H new ATOM 568 N GLU A 73 29.634 36.191 21.924 1.00 15.01 N ATOM 569 CA GLU A 73 29.241 36.979 20.801 1.00 12.11 C ATOM 570 C GLU A 73 28.877 38.341 21.204 1.00 12.73 C ATOM 571 O GLU A 73 29.341 39.376 20.533 1.00 16.73 O ATOM 572 CB GLU A 73 28.124 36.157 19.936 1.00 3.74 C ATOM 573 CG GLU A 73 28.711 35.093 19.105 1.00 32.65 C ATOM 574 CD GLU A 73 27.599 34.293 18.242 1.00 40.87 C ATOM 575 OE1 GLU A 73 27.888 33.379 17.482 1.00 38.10 O ATOM 576 OE2 GLU A 73 26.379 34.295 18.539 1.00 33.71 O ATOM 0 H GLU A 73 29.139 35.516 22.120 1.00 15.01 H new ATOM 0 HA GLU A 73 29.986 37.122 20.196 1.00 12.11 H new ATOM 0 HB2 GLU A 73 27.475 35.767 20.542 1.00 3.74 H new ATOM 0 HB3 GLU A 73 27.642 36.777 19.366 1.00 3.74 H new ATOM 0 HG2 GLU A 73 29.365 35.481 18.503 1.00 32.65 H new ATOM 0 HG3 GLU A 73 29.186 34.467 19.674 1.00 32.65 H new ATOM 577 N ALA A 74 28.260 38.360 22.359 1.00 10.05 N ATOM 578 CA ALA A 74 27.988 39.627 22.958 1.00 18.31 C ATOM 579 C ALA A 74 29.281 40.607 23.276 1.00 11.36 C ATOM 580 O ALA A 74 29.308 41.856 23.111 1.00 8.75 O ATOM 581 CB ALA A 74 27.166 39.350 24.255 1.00 15.91 C ATOM 0 H ALA A 74 27.998 37.670 22.800 1.00 10.05 H new ATOM 0 HA ALA A 74 27.500 40.144 22.297 1.00 18.31 H new ATOM 0 HB1 ALA A 74 26.960 40.190 24.694 1.00 15.91 H new ATOM 0 HB2 ALA A 74 26.341 38.895 24.024 1.00 15.91 H new ATOM 0 HB3 ALA A 74 27.685 38.792 24.855 1.00 15.91 H new ATOM 582 N ALA A 75 30.303 40.048 23.714 1.00 20.64 N ATOM 583 CA ALA A 75 31.611 40.872 24.069 1.00 3.00 C ATOM 584 C ALA A 75 32.295 41.613 22.858 1.00 9.74 C ATOM 585 O ALA A 75 32.880 42.824 22.954 1.00 18.01 O ATOM 586 CB ALA A 75 32.580 39.991 24.675 1.00 6.72 C ATOM 0 H ALA A 75 30.367 39.201 23.850 1.00 20.64 H new ATOM 0 HA ALA A 75 31.314 41.570 24.674 1.00 3.00 H new ATOM 0 HB1 ALA A 75 33.381 40.492 24.893 1.00 6.72 H new ATOM 0 HB2 ALA A 75 32.208 39.608 25.485 1.00 6.72 H new ATOM 0 HB3 ALA A 75 32.803 39.279 24.055 1.00 6.72 H new ATOM 587 N ILE A 76 32.249 40.869 21.773 1.00 20.43 N ATOM 588 CA ILE A 76 32.882 41.407 20.522 1.00 16.53 C ATOM 589 C ILE A 76 32.084 42.443 19.951 1.00 18.58 C ATOM 590 O ILE A 76 32.674 43.563 19.511 1.00 14.53 O ATOM 591 CB ILE A 76 32.901 40.241 19.511 1.00 8.95 C ATOM 592 CG1 ILE A 76 33.644 39.129 20.068 1.00 9.81 C ATOM 593 CG2 ILE A 76 33.497 40.753 18.153 1.00 10.92 C ATOM 594 CD1 ILE A 76 35.155 39.668 20.338 1.00 18.37 C ATOM 0 H ILE A 76 31.886 40.092 21.710 1.00 20.43 H new ATOM 0 HA ILE A 76 33.763 41.760 20.724 1.00 16.53 H new ATOM 0 HB ILE A 76 32.003 39.920 19.334 1.00 8.95 H new ATOM 0 HG12 ILE A 76 33.236 38.820 20.892 1.00 9.81 H new ATOM 0 HG13 ILE A 76 33.651 38.377 19.455 1.00 9.81 H new ATOM 0 HG21 ILE A 76 33.513 40.026 17.511 1.00 10.92 H new ATOM 0 HG22 ILE A 76 32.947 41.475 17.810 1.00 10.92 H new ATOM 0 HG23 ILE A 76 34.400 41.076 18.297 1.00 10.92 H new ATOM 0 HD11 ILE A 76 35.692 38.953 20.713 1.00 18.37 H new ATOM 0 HD12 ILE A 76 35.548 39.962 19.501 1.00 18.37 H new ATOM 0 HD13 ILE A 76 35.127 40.411 20.960 1.00 18.37 H new ATOM 595 N GLN A 77 30.773 42.149 20.133 1.00 7.72 N ATOM 596 CA GLN A 77 29.904 43.085 19.656 1.00 3.00 C ATOM 597 C GLN A 77 30.051 44.399 20.453 1.00 14.87 C ATOM 598 O GLN A 77 30.166 45.510 19.848 1.00 16.75 O ATOM 599 CB GLN A 77 28.419 42.389 19.605 1.00 9.27 C ATOM 600 CG GLN A 77 27.552 43.251 18.828 1.00 17.27 C ATOM 601 CD GLN A 77 26.175 42.393 18.559 1.00 30.89 C ATOM 602 OE1 GLN A 77 25.934 41.858 17.430 1.00 29.29 O ATOM 603 NE2 GLN A 77 25.444 42.050 19.631 1.00 13.25 N ATOM 0 H GLN A 77 30.441 41.450 20.509 1.00 7.72 H new ATOM 0 HA GLN A 77 30.092 43.368 18.747 1.00 3.00 H new ATOM 0 HB2 GLN A 77 28.470 41.508 19.203 1.00 9.27 H new ATOM 0 HB3 GLN A 77 28.067 42.272 20.501 1.00 9.27 H new ATOM 0 HG2 GLN A 77 27.360 44.072 19.307 1.00 17.27 H new ATOM 0 HG3 GLN A 77 27.973 43.502 17.991 1.00 17.27 H new ATOM 0 HE21 GLN A 77 25.606 42.411 20.395 1.00 13.25 H new ATOM 0 HE22 GLN A 77 24.814 41.470 19.554 1.00 13.25 H new ATOM 604 N LEU A 78 30.212 44.295 21.749 1.00 16.05 N ATOM 605 CA LEU A 78 30.549 45.515 22.579 1.00 13.26 C ATOM 606 C LEU A 78 31.902 46.336 22.154 1.00 5.88 C ATOM 607 O LEU A 78 32.055 47.606 22.144 1.00 17.63 O ATOM 608 CB LEU A 78 30.686 45.123 24.051 1.00 9.04 C ATOM 609 CG LEU A 78 29.318 44.759 24.762 1.00 5.54 C ATOM 610 CD1 LEU A 78 29.448 43.908 26.024 1.00 18.61 C ATOM 611 CD2 LEU A 78 28.716 46.042 25.087 1.00 3.00 C ATOM 0 H LEU A 78 30.140 43.562 22.193 1.00 16.05 H new ATOM 0 HA LEU A 78 29.807 46.117 22.413 1.00 13.26 H new ATOM 0 HB2 LEU A 78 31.285 44.363 24.117 1.00 9.04 H new ATOM 0 HB3 LEU A 78 31.103 45.855 24.532 1.00 9.04 H new ATOM 0 HG LEU A 78 28.787 44.208 24.166 1.00 5.54 H new ATOM 0 HD11 LEU A 78 28.567 43.735 26.390 1.00 18.61 H new ATOM 0 HD12 LEU A 78 29.877 43.066 25.804 1.00 18.61 H new ATOM 0 HD13 LEU A 78 29.983 44.382 26.680 1.00 18.61 H new ATOM 0 HD21 LEU A 78 27.865 45.898 25.530 1.00 3.00 H new ATOM 0 HD22 LEU A 78 29.307 46.537 25.676 1.00 3.00 H new ATOM 0 HD23 LEU A 78 28.574 46.549 24.272 1.00 3.00 H new ATOM 612 N GLU A 79 32.859 45.628 21.867 1.00 8.30 N ATOM 613 CA GLU A 79 34.219 46.321 21.532 1.00 6.06 C ATOM 614 C GLU A 79 34.200 47.108 20.232 1.00 12.18 C ATOM 615 O GLU A 79 34.787 48.316 20.150 1.00 14.82 O ATOM 616 CB GLU A 79 35.215 45.299 21.439 1.00 21.88 C ATOM 617 CG GLU A 79 36.716 45.980 21.339 1.00 12.14 C ATOM 618 CD GLU A 79 37.248 45.832 19.926 1.00 42.70 C ATOM 619 OE1 GLU A 79 36.984 44.706 19.340 1.00 36.07 O ATOM 620 OE2 GLU A 79 37.650 46.881 19.247 1.00 38.51 O ATOM 0 H GLU A 79 32.855 44.769 21.831 1.00 8.30 H new ATOM 0 HA GLU A 79 34.405 46.960 22.237 1.00 6.06 H new ATOM 0 HB2 GLU A 79 35.166 44.718 22.214 1.00 21.88 H new ATOM 0 HB3 GLU A 79 35.050 44.746 20.659 1.00 21.88 H new ATOM 0 HG2 GLU A 79 36.673 46.918 21.582 1.00 12.14 H new ATOM 0 HG3 GLU A 79 37.318 45.552 21.968 1.00 12.14 H new ATOM 621 N VAL A 80 33.572 46.401 19.254 1.00 8.21 N ATOM 622 CA VAL A 80 33.519 46.919 17.892 1.00 18.93 C ATOM 623 C VAL A 80 32.551 47.938 17.717 1.00 26.29 C ATOM 624 O VAL A 80 32.892 48.971 17.005 1.00 25.53 O ATOM 625 CB VAL A 80 33.182 45.710 16.924 1.00 7.27 C ATOM 626 CG1 VAL A 80 32.820 46.130 15.507 1.00 12.86 C ATOM 627 CG2 VAL A 80 34.353 44.886 16.890 1.00 13.60 C ATOM 0 H VAL A 80 33.186 45.642 19.371 1.00 8.21 H new ATOM 0 HA VAL A 80 34.380 47.318 17.692 1.00 18.93 H new ATOM 0 HB VAL A 80 32.398 45.251 17.265 1.00 7.27 H new ATOM 0 HG11 VAL A 80 32.627 45.342 14.975 1.00 12.86 H new ATOM 0 HG12 VAL A 80 32.038 46.704 15.529 1.00 12.86 H new ATOM 0 HG13 VAL A 80 33.563 46.612 15.112 1.00 12.86 H new ATOM 0 HG21 VAL A 80 34.198 44.126 16.307 1.00 13.60 H new ATOM 0 HG22 VAL A 80 35.103 45.402 16.555 1.00 13.60 H new ATOM 0 HG23 VAL A 80 34.553 44.570 17.785 1.00 13.60 H new ATOM 628 N THR A 81 31.364 47.670 18.302 1.00 11.46 N ATOM 629 CA THR A 81 30.345 48.541 18.059 1.00 8.58 C ATOM 630 C THR A 81 30.073 49.400 19.252 1.00 8.32 C ATOM 631 O THR A 81 29.425 50.358 19.081 1.00 13.62 O ATOM 632 CB THR A 81 28.974 47.728 17.584 1.00 11.83 C ATOM 633 OG1 THR A 81 28.226 47.057 18.692 1.00 13.26 O ATOM 634 CG2 THR A 81 29.126 46.707 16.467 1.00 11.23 C ATOM 0 H THR A 81 31.187 47.002 18.814 1.00 11.46 H new ATOM 0 HA THR A 81 30.617 49.123 17.332 1.00 8.58 H new ATOM 0 HB THR A 81 28.469 48.480 17.236 1.00 11.83 H new ATOM 0 HG1 THR A 81 28.749 46.560 19.122 1.00 13.26 H new ATOM 0 HG21 THR A 81 28.265 46.302 16.279 1.00 11.23 H new ATOM 0 HG22 THR A 81 29.456 47.148 15.668 1.00 11.23 H new ATOM 0 HG23 THR A 81 29.754 46.020 16.740 1.00 11.23 H new ATOM 635 N GLY A 82 30.418 48.990 20.432 1.00 9.21 N ATOM 636 CA GLY A 82 30.126 49.722 21.646 1.00 7.91 C ATOM 637 C GLY A 82 28.797 49.123 22.333 1.00 18.11 C ATOM 638 O GLY A 82 28.503 49.545 23.459 1.00 19.88 O ATOM 0 H GLY A 82 30.843 48.255 20.567 1.00 9.21 H new ATOM 0 HA2 GLY A 82 30.874 49.660 22.260 1.00 7.91 H new ATOM 0 HA3 GLY A 82 30.001 50.663 21.445 1.00 7.91 H new ATOM 639 N VAL A 83 27.958 48.226 21.667 1.00 24.55 N ATOM 640 CA VAL A 83 26.661 47.604 22.276 1.00 16.48 C ATOM 641 C VAL A 83 26.388 46.059 22.196 1.00 17.54 C ATOM 642 O VAL A 83 26.987 45.453 21.337 1.00 17.42 O ATOM 643 CB VAL A 83 25.453 48.157 21.639 1.00 16.30 C ATOM 644 CG1 VAL A 83 25.546 49.697 21.841 1.00 14.14 C ATOM 645 CG2 VAL A 83 25.250 47.763 20.153 1.00 13.00 C ATOM 0 H VAL A 83 28.113 47.960 20.864 1.00 24.55 H new ATOM 0 HA VAL A 83 26.835 47.827 23.204 1.00 16.48 H new ATOM 0 HB VAL A 83 24.664 47.777 22.056 1.00 16.30 H new ATOM 0 HG11 VAL A 83 24.772 50.123 21.440 1.00 14.14 H new ATOM 0 HG12 VAL A 83 25.570 49.898 22.790 1.00 14.14 H new ATOM 0 HG13 VAL A 83 26.353 50.031 21.419 1.00 14.14 H new ATOM 0 HG21 VAL A 83 24.435 48.170 19.819 1.00 13.00 H new ATOM 0 HG22 VAL A 83 26.005 48.074 19.629 1.00 13.00 H new ATOM 0 HG23 VAL A 83 25.183 46.798 20.080 1.00 13.00 H new ATOM 646 N VAL A 84 25.297 45.495 22.845 1.00 14.27 N ATOM 647 CA VAL A 84 24.620 44.121 22.529 1.00 16.69 C ATOM 648 C VAL A 84 23.341 44.176 21.720 1.00 10.75 C ATOM 649 O VAL A 84 22.423 44.757 22.193 1.00 18.59 O ATOM 650 CB VAL A 84 24.273 43.241 23.788 1.00 19.60 C ATOM 651 CG1 VAL A 84 23.299 41.920 23.452 1.00 18.96 C ATOM 652 CG2 VAL A 84 25.561 42.921 24.475 1.00 18.16 C ATOM 0 H VAL A 84 24.911 45.899 23.499 1.00 14.27 H new ATOM 0 HA VAL A 84 25.330 43.721 22.004 1.00 16.69 H new ATOM 0 HB VAL A 84 23.708 43.742 24.397 1.00 19.60 H new ATOM 0 HG11 VAL A 84 23.128 41.427 24.270 1.00 18.96 H new ATOM 0 HG12 VAL A 84 22.458 42.225 23.077 1.00 18.96 H new ATOM 0 HG13 VAL A 84 23.746 41.342 22.815 1.00 18.96 H new ATOM 0 HG21 VAL A 84 25.384 42.377 25.259 1.00 18.16 H new ATOM 0 HG22 VAL A 84 26.139 42.433 23.868 1.00 18.16 H new ATOM 0 HG23 VAL A 84 25.997 43.744 24.745 1.00 18.16 H new ATOM 653 N VAL A 85 23.367 43.738 20.483 1.00 12.81 N ATOM 654 CA VAL A 85 22.239 43.715 19.547 1.00 21.85 C ATOM 655 C VAL A 85 21.079 42.553 19.841 1.00 18.63 C ATOM 656 O VAL A 85 21.246 41.342 19.708 1.00 23.88 O ATOM 657 CB VAL A 85 22.729 43.575 18.101 1.00 26.97 C ATOM 658 CG1 VAL A 85 21.567 43.492 17.074 1.00 24.97 C ATOM 659 CG2 VAL A 85 23.931 44.693 17.746 1.00 28.81 C ATOM 0 H VAL A 85 24.086 43.423 20.133 1.00 12.81 H new ATOM 0 HA VAL A 85 21.803 44.570 19.689 1.00 21.85 H new ATOM 0 HB VAL A 85 23.161 42.711 18.014 1.00 26.97 H new ATOM 0 HG11 VAL A 85 21.931 43.405 16.179 1.00 24.97 H new ATOM 0 HG12 VAL A 85 21.013 42.721 17.274 1.00 24.97 H new ATOM 0 HG13 VAL A 85 21.030 44.298 17.127 1.00 24.97 H new ATOM 0 HG21 VAL A 85 24.219 44.578 16.827 1.00 28.81 H new ATOM 0 HG22 VAL A 85 23.584 45.591 17.866 1.00 28.81 H new ATOM 0 HG23 VAL A 85 24.686 44.556 18.340 1.00 28.81 H new ATOM 660 N THR A 86 19.941 42.932 20.211 1.00 16.30 N ATOM 661 CA THR A 86 18.703 41.973 20.503 1.00 40.20 C ATOM 662 C THR A 86 17.985 41.415 19.229 1.00 23.61 C ATOM 663 O THR A 86 17.294 42.137 18.589 1.00 36.70 O ATOM 664 CB THR A 86 17.700 42.700 21.268 1.00 35.86 C ATOM 665 OG1 THR A 86 18.373 43.514 22.325 1.00 38.49 O ATOM 666 CG2 THR A 86 16.479 41.694 21.799 1.00 32.97 C ATOM 0 H THR A 86 19.754 43.762 20.334 1.00 16.30 H new ATOM 0 HA THR A 86 19.079 41.218 20.982 1.00 40.20 H new ATOM 0 HB THR A 86 17.236 43.334 20.699 1.00 35.86 H new ATOM 0 HG1 THR A 86 18.336 44.327 22.118 1.00 38.49 H new ATOM 0 HG21 THR A 86 15.831 42.210 22.303 1.00 32.97 H new ATOM 0 HG22 THR A 86 16.042 41.284 21.036 1.00 32.97 H new ATOM 0 HG23 THR A 86 16.853 41.002 22.367 1.00 32.97 H new ATOM 667 N ASP A 87 18.167 40.205 18.840 1.00 31.99 N ATOM 668 CA ASP A 87 17.484 39.590 17.639 1.00 20.41 C ATOM 669 C ASP A 87 16.260 38.509 17.946 1.00 39.37 C ATOM 670 O ASP A 87 15.768 38.410 19.106 1.00 27.15 O ATOM 671 CB ASP A 87 18.464 39.028 16.681 1.00 9.43 C ATOM 672 CG ASP A 87 18.990 37.822 17.301 1.00 37.70 C ATOM 673 OD1 ASP A 87 18.877 37.612 18.539 1.00 39.31 O ATOM 674 OD2 ASP A 87 19.898 37.345 16.684 1.00 44.90 O ATOM 0 H ASP A 87 18.697 39.662 19.245 1.00 31.99 H new ATOM 0 HA ASP A 87 17.028 40.345 17.236 1.00 20.41 H new ATOM 0 HB2 ASP A 87 18.041 38.825 15.832 1.00 9.43 H new ATOM 0 HB3 ASP A 87 19.175 39.663 16.500 1.00 9.43 H new ATOM 675 N ALA A 88 15.795 37.743 16.929 1.00 35.90 N ATOM 676 CA ALA A 88 14.620 36.660 17.039 1.00 37.63 C ATOM 677 C ALA A 88 14.865 35.596 18.058 1.00 32.83 C ATOM 678 O ALA A 88 13.989 35.210 18.935 1.00 37.20 O ATOM 679 CB ALA A 88 14.319 35.965 15.675 1.00 43.25 C ATOM 0 H ALA A 88 16.119 37.798 16.134 1.00 35.90 H new ATOM 0 HA ALA A 88 13.854 37.184 17.322 1.00 37.63 H new ATOM 0 HB1 ALA A 88 13.604 35.320 15.791 1.00 43.25 H new ATOM 0 HB2 ALA A 88 14.050 36.632 15.024 1.00 43.25 H new ATOM 0 HB3 ALA A 88 15.116 35.510 15.361 1.00 43.25 H new ATOM 680 N THR A 89 16.079 35.264 17.986 1.00 24.54 N ATOM 681 CA THR A 89 16.608 34.330 18.895 1.00 22.38 C ATOM 682 C THR A 89 16.498 34.741 20.349 1.00 25.26 C ATOM 683 O THR A 89 16.067 33.861 21.213 1.00 31.40 O ATOM 684 CB THR A 89 18.114 34.365 18.560 1.00 32.15 C ATOM 685 OG1 THR A 89 18.220 34.013 17.181 1.00 50.83 O ATOM 686 CG2 THR A 89 18.826 33.447 19.460 1.00 37.16 C ATOM 0 H THR A 89 16.638 35.569 17.408 1.00 24.54 H new ATOM 0 HA THR A 89 16.142 33.483 18.810 1.00 22.38 H new ATOM 0 HB THR A 89 18.520 35.236 18.693 1.00 32.15 H new ATOM 0 HG1 THR A 89 19.028 34.020 16.951 1.00 50.83 H new ATOM 0 HG21 THR A 89 19.774 33.463 19.255 1.00 37.16 H new ATOM 0 HG22 THR A 89 18.689 33.724 20.379 1.00 37.16 H new ATOM 0 HG23 THR A 89 18.485 32.547 19.340 1.00 37.16 H new ATOM 687 N LEU A 90 16.913 36.034 20.602 1.00 15.32 N ATOM 688 CA LEU A 90 16.956 36.495 21.993 1.00 18.11 C ATOM 689 C LEU A 90 15.552 36.579 22.546 1.00 24.26 C ATOM 690 O LEU A 90 15.279 36.303 23.752 1.00 19.38 O ATOM 691 CB LEU A 90 17.933 37.843 22.222 1.00 16.30 C ATOM 692 CG LEU A 90 19.434 37.746 21.952 1.00 25.76 C ATOM 693 CD1 LEU A 90 20.382 39.065 22.345 1.00 37.18 C ATOM 694 CD2 LEU A 90 19.879 36.505 22.623 1.00 34.08 C ATOM 0 H LEU A 90 17.154 36.608 20.008 1.00 15.32 H new ATOM 0 HA LEU A 90 17.414 35.835 22.536 1.00 18.11 H new ATOM 0 HB2 LEU A 90 17.583 38.553 21.661 1.00 16.30 H new ATOM 0 HB3 LEU A 90 17.822 38.128 23.143 1.00 16.30 H new ATOM 0 HG LEU A 90 19.561 37.731 20.990 1.00 25.76 H new ATOM 0 HD11 LEU A 90 21.308 38.875 22.126 1.00 37.18 H new ATOM 0 HD12 LEU A 90 20.083 39.839 21.843 1.00 37.18 H new ATOM 0 HD13 LEU A 90 20.306 39.247 23.295 1.00 37.18 H new ATOM 0 HD21 LEU A 90 20.832 36.387 22.486 1.00 34.08 H new ATOM 0 HD22 LEU A 90 19.694 36.566 23.573 1.00 34.08 H new ATOM 0 HD23 LEU A 90 19.403 35.747 22.250 1.00 34.08 H new ATOM 695 N LYS A 91 14.664 36.886 21.683 1.00 34.88 N ATOM 696 CA LYS A 91 13.271 36.927 22.125 1.00 29.97 C ATOM 697 C LYS A 91 12.522 35.504 22.408 1.00 18.13 C ATOM 698 O LYS A 91 11.771 35.265 23.416 1.00 33.61 O ATOM 699 CB LYS A 91 12.489 37.559 21.039 1.00 20.24 C ATOM 700 CG LYS A 91 13.200 38.995 20.678 1.00 32.30 C ATOM 701 CD LYS A 91 12.449 39.640 19.572 0.00 0.00 C ATOM 702 CE LYS A 91 13.269 41.003 19.112 0.00 0.00 C ATOM 703 NZ LYS A 91 14.576 40.785 18.562 0.00 0.00 N ATOM 0 H LYS A 91 14.807 37.074 20.856 1.00 34.88 H new ATOM 0 HA LYS A 91 13.305 37.393 22.975 1.00 29.97 H new ATOM 0 HB2 LYS A 91 12.467 36.985 20.258 1.00 20.24 H new ATOM 0 HB3 LYS A 91 11.570 37.695 21.317 1.00 20.24 H new ATOM 0 HG2 LYS A 91 13.208 39.571 21.459 1.00 32.30 H new ATOM 0 HG3 LYS A 91 14.124 38.856 20.419 1.00 32.30 H new ATOM 0 HD2 LYS A 91 12.360 39.030 18.823 0.00 0.00 H new ATOM 0 HD3 LYS A 91 11.551 39.867 19.861 0.00 0.00 H new ATOM 0 HE2 LYS A 91 12.734 41.476 18.456 0.00 0.00 H new ATOM 0 HE3 LYS A 91 13.353 41.586 19.883 0.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.941 41.567 18.344 0.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.088 40.377 19.165 0.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.511 40.275 17.835 0.00 0.00 H new ATOM 704 N ASN A 92 12.798 34.596 21.552 1.00 21.42 N ATOM 705 CA ASN A 92 12.234 33.165 21.689 1.00 20.22 C ATOM 706 C ASN A 92 12.737 32.591 22.968 1.00 19.39 C ATOM 707 O ASN A 92 11.890 31.899 23.731 1.00 23.29 O ATOM 708 CB ASN A 92 12.615 32.364 20.476 1.00 25.52 C ATOM 709 CG ASN A 92 12.048 30.868 20.696 1.00 52.84 C ATOM 710 OD1 ASN A 92 10.784 30.502 20.768 1.00 43.35 O ATOM 711 ND2 ASN A 92 12.933 30.165 21.198 1.00 55.08 N ATOM 0 H ASN A 92 13.300 34.718 20.865 1.00 21.42 H new ATOM 0 HA ASN A 92 11.265 33.157 21.727 1.00 20.22 H new ATOM 0 HB2 ASN A 92 12.239 32.758 19.673 1.00 25.52 H new ATOM 0 HB3 ASN A 92 13.578 32.352 20.362 1.00 25.52 H new ATOM 0 HD21 ASN A 92 12.725 29.432 21.597 1.00 55.08 H new ATOM 0 HD22 ASN A 92 13.756 30.409 21.148 1.00 55.08 H new ATOM 712 N LEU A 93 14.027 33.044 23.267 1.00 15.73 N ATOM 713 CA LEU A 93 14.616 32.699 24.549 1.00 6.23 C ATOM 714 C LEU A 93 13.869 33.153 25.743 1.00 13.86 C ATOM 715 O LEU A 93 13.625 32.384 26.730 1.00 22.21 O ATOM 716 CB LEU A 93 16.121 33.307 24.715 1.00 13.65 C ATOM 717 CG LEU A 93 17.063 32.488 23.987 1.00 15.94 C ATOM 718 CD1 LEU A 93 18.554 33.117 24.231 1.00 35.87 C ATOM 719 CD2 LEU A 93 16.771 30.988 24.407 1.00 33.82 C ATOM 0 H LEU A 93 14.519 33.522 22.748 1.00 15.73 H new ATOM 0 HA LEU A 93 14.603 31.729 24.522 1.00 6.23 H new ATOM 0 HB2 LEU A 93 16.149 34.218 24.384 1.00 13.65 H new ATOM 0 HB3 LEU A 93 16.365 33.338 25.653 1.00 13.65 H new ATOM 0 HG LEU A 93 16.984 32.483 23.020 1.00 15.94 H new ATOM 0 HD11 LEU A 93 19.211 32.587 23.753 1.00 35.87 H new ATOM 0 HD12 LEU A 93 18.577 34.030 23.906 1.00 35.87 H new ATOM 0 HD13 LEU A 93 18.759 33.107 25.179 1.00 35.87 H new ATOM 0 HD21 LEU A 93 17.382 30.396 23.941 1.00 33.82 H new ATOM 0 HD22 LEU A 93 16.893 30.890 25.364 1.00 33.82 H new ATOM 0 HD23 LEU A 93 15.858 30.758 24.173 1.00 33.82 H new ATOM 720 N GLY A 94 13.443 34.317 25.617 1.00 25.78 N ATOM 721 CA GLY A 94 12.706 34.843 26.713 1.00 16.60 C ATOM 722 C GLY A 94 11.374 33.911 27.013 1.00 21.67 C ATOM 723 O GLY A 94 11.012 33.624 28.199 1.00 20.41 O ATOM 0 H GLY A 94 13.550 34.832 24.937 1.00 25.78 H new ATOM 0 HA2 GLY A 94 13.269 34.877 27.502 1.00 16.60 H new ATOM 0 HA3 GLY A 94 12.434 35.754 26.520 1.00 16.60 H new ATOM 724 N SER A 95 10.741 33.376 25.945 1.00 27.94 N ATOM 725 CA SER A 95 9.473 32.411 26.029 1.00 33.81 C ATOM 726 C SER A 95 9.676 31.070 26.646 1.00 25.03 C ATOM 727 O SER A 95 8.864 30.532 27.529 1.00 27.91 O ATOM 728 CB SER A 95 8.852 32.137 24.630 1.00 38.28 C ATOM 729 OG SER A 95 7.922 30.880 24.659 1.00 53.85 O ATOM 0 H SER A 95 10.992 33.529 25.137 1.00 27.94 H new ATOM 0 HA SER A 95 8.895 32.924 26.615 1.00 33.81 H new ATOM 0 HB2 SER A 95 8.344 32.911 24.342 1.00 38.28 H new ATOM 0 HB3 SER A 95 9.560 32.004 23.980 1.00 38.28 H new ATOM 0 HG SER A 95 7.598 30.753 23.894 1.00 53.85 H new ATOM 730 N VAL A 96 10.699 30.540 26.165 1.00 23.16 N ATOM 731 CA VAL A 96 10.942 29.230 26.670 1.00 9.36 C ATOM 732 C VAL A 96 11.321 29.271 28.145 1.00 25.38 C ATOM 733 O VAL A 96 10.782 28.332 28.904 1.00 24.93 O ATOM 734 CB VAL A 96 11.886 28.518 25.791 1.00 4.80 C ATOM 735 CG1 VAL A 96 13.086 29.466 25.170 1.00 42.28 C ATOM 736 CG2 VAL A 96 12.370 27.328 26.517 1.00 33.67 C ATOM 0 H VAL A 96 11.248 30.865 25.588 1.00 23.16 H new ATOM 0 HA VAL A 96 10.127 28.705 26.651 1.00 9.36 H new ATOM 0 HB VAL A 96 11.420 28.235 24.989 1.00 4.80 H new ATOM 0 HG11 VAL A 96 13.663 28.929 24.605 1.00 42.28 H new ATOM 0 HG12 VAL A 96 12.694 30.181 24.644 1.00 42.28 H new ATOM 0 HG13 VAL A 96 13.606 29.846 25.895 1.00 42.28 H new ATOM 0 HG21 VAL A 96 12.995 26.840 25.958 1.00 33.67 H new ATOM 0 HG22 VAL A 96 12.815 27.605 27.333 1.00 33.67 H new ATOM 0 HG23 VAL A 96 11.619 26.755 26.737 1.00 33.67 H new ATOM 737 N HIS A 97 12.020 30.418 28.585 1.00 15.37 N ATOM 738 CA HIS A 97 12.397 30.530 30.005 1.00 11.60 C ATOM 739 C HIS A 97 11.220 30.602 30.947 1.00 15.13 C ATOM 740 O HIS A 97 11.131 29.940 32.020 1.00 28.00 O ATOM 741 CB HIS A 97 13.576 31.688 30.286 1.00 13.02 C ATOM 742 CG HIS A 97 14.882 31.281 29.729 1.00 8.68 C ATOM 743 ND1 HIS A 97 15.351 31.653 28.447 1.00 16.87 N ATOM 744 CD2 HIS A 97 15.696 30.510 30.279 1.00 14.63 C ATOM 745 CE1 HIS A 97 16.511 31.088 28.201 1.00 16.93 C ATOM 746 NE2 HIS A 97 16.727 30.368 29.364 1.00 5.96 N ATOM 0 H HIS A 97 12.254 31.078 28.086 1.00 15.37 H new ATOM 0 HA HIS A 97 12.821 29.685 30.224 1.00 11.60 H new ATOM 0 HB2 HIS A 97 13.303 32.531 29.891 1.00 13.02 H new ATOM 0 HB3 HIS A 97 13.663 31.837 31.240 1.00 13.02 H new ATOM 0 HD1 HIS A 97 14.935 32.175 27.905 1.00 16.87 H new ATOM 0 HD2 HIS A 97 15.626 30.117 31.119 1.00 14.63 H new ATOM 0 HE1 HIS A 97 17.047 31.154 27.444 1.00 16.93 H new ATOM 747 N VAL A 98 10.285 31.248 30.484 1.00 14.81 N ATOM 748 CA VAL A 98 9.047 31.257 31.261 1.00 9.72 C ATOM 749 C VAL A 98 8.199 29.842 31.351 1.00 27.69 C ATOM 750 O VAL A 98 7.757 29.417 32.478 1.00 28.70 O ATOM 751 CB VAL A 98 8.208 32.294 30.702 1.00 10.91 C ATOM 752 CG1 VAL A 98 6.777 32.117 31.316 1.00 27.03 C ATOM 753 CG2 VAL A 98 8.944 33.749 30.934 1.00 14.37 C ATOM 0 H VAL A 98 10.285 31.695 29.749 1.00 14.81 H new ATOM 0 HA VAL A 98 9.310 31.412 32.182 1.00 9.72 H new ATOM 0 HB VAL A 98 8.089 32.238 29.741 1.00 10.91 H new ATOM 0 HG11 VAL A 98 6.186 32.799 30.961 1.00 27.03 H new ATOM 0 HG12 VAL A 98 6.432 31.240 31.086 1.00 27.03 H new ATOM 0 HG13 VAL A 98 6.826 32.202 32.281 1.00 27.03 H new ATOM 0 HG21 VAL A 98 8.391 34.454 30.563 1.00 14.37 H new ATOM 0 HG22 VAL A 98 9.068 33.901 31.884 1.00 14.37 H new ATOM 0 HG23 VAL A 98 9.807 33.749 30.492 1.00 14.37 H new ATOM 754 N SER A 99 8.145 29.097 30.242 1.00 31.96 N ATOM 755 CA SER A 99 7.429 27.679 30.150 1.00 25.39 C ATOM 756 C SER A 99 7.921 26.763 31.187 1.00 30.85 C ATOM 757 O SER A 99 7.107 25.811 31.700 1.00 36.72 O ATOM 758 CB SER A 99 7.674 27.029 28.794 1.00 26.80 C ATOM 759 OG SER A 99 7.249 27.791 27.711 1.00 54.26 O ATOM 0 H SER A 99 8.501 29.345 29.499 1.00 31.96 H new ATOM 0 HA SER A 99 6.481 27.839 30.276 1.00 25.39 H new ATOM 0 HB2 SER A 99 8.623 26.851 28.699 1.00 26.80 H new ATOM 0 HB3 SER A 99 7.221 26.172 28.771 1.00 26.80 H new ATOM 0 HG SER A 99 7.696 28.502 27.676 1.00 54.26 H new ATOM 760 N LYS A 100 9.245 26.929 31.290 1.00 21.46 N ATOM 761 CA LYS A 100 9.950 26.036 32.087 1.00 16.59 C ATOM 762 C LYS A 100 10.007 26.428 33.559 1.00 15.44 C ATOM 763 O LYS A 100 10.581 25.764 34.384 1.00 30.99 O ATOM 764 CB LYS A 100 11.396 26.097 31.539 1.00 24.39 C ATOM 765 CG LYS A 100 11.370 25.469 30.131 1.00 43.00 C ATOM 766 CD LYS A 100 10.924 23.918 30.163 1.00 52.83 C ATOM 767 CE LYS A 100 10.926 23.281 28.759 1.00 50.02 C ATOM 768 NZ LYS A 100 11.054 21.840 28.860 0.00 0.00 N ATOM 0 H LYS A 100 9.708 27.543 30.905 1.00 21.46 H new ATOM 0 HA LYS A 100 9.521 25.167 32.052 1.00 16.59 H new ATOM 0 HB2 LYS A 100 11.710 27.014 31.500 1.00 24.39 H new ATOM 0 HB3 LYS A 100 12.004 25.613 32.120 1.00 24.39 H new ATOM 0 HG2 LYS A 100 10.758 25.968 29.567 1.00 43.00 H new ATOM 0 HG3 LYS A 100 12.250 25.543 29.730 1.00 43.00 H new ATOM 0 HD2 LYS A 100 11.524 23.423 30.742 1.00 52.83 H new ATOM 0 HD3 LYS A 100 10.036 23.846 30.547 1.00 52.83 H new ATOM 0 HE2 LYS A 100 10.106 23.507 28.293 1.00 50.02 H new ATOM 0 HE3 LYS A 100 11.658 23.641 28.235 1.00 50.02 H new ATOM 0 HZ1 LYS A 100 11.054 21.484 28.044 0.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.817 21.638 29.272 0.00 0.00 H new ATOM 0 HZ3 LYS A 100 10.370 21.513 29.326 0.00 0.00 H new ATOM 769 N GLY A 101 9.317 27.397 33.871 1.00 15.11 N ATOM 770 CA GLY A 101 9.203 27.864 35.252 1.00 13.61 C ATOM 771 C GLY A 101 10.517 28.680 35.796 1.00 29.19 C ATOM 772 O GLY A 101 10.724 28.756 37.035 1.00 23.52 O ATOM 0 H GLY A 101 8.862 27.858 33.306 1.00 15.11 H new ATOM 0 HA2 GLY A 101 8.425 28.438 35.325 1.00 13.61 H new ATOM 0 HA3 GLY A 101 9.047 27.100 35.829 1.00 13.61 H new ATOM 773 N VAL A 102 11.386 29.265 34.901 1.00 22.79 N ATOM 774 CA VAL A 102 12.675 30.102 35.287 1.00 11.46 C ATOM 775 C VAL A 102 12.487 31.515 35.745 1.00 24.42 C ATOM 776 O VAL A 102 11.677 32.124 35.130 1.00 23.30 O ATOM 777 CB VAL A 102 13.657 30.211 34.095 1.00 15.26 C ATOM 778 CG1 VAL A 102 15.027 31.116 34.393 1.00 19.30 C ATOM 779 CG2 VAL A 102 13.837 28.791 33.608 1.00 13.39 C ATOM 0 H VAL A 102 11.272 29.206 34.051 1.00 22.79 H new ATOM 0 HA VAL A 102 13.000 29.585 36.041 1.00 11.46 H new ATOM 0 HB VAL A 102 13.304 30.751 33.371 1.00 15.26 H new ATOM 0 HG11 VAL A 102 15.584 31.132 33.599 1.00 19.30 H new ATOM 0 HG12 VAL A 102 14.772 32.022 34.627 1.00 19.30 H new ATOM 0 HG13 VAL A 102 15.523 30.721 35.127 1.00 19.30 H new ATOM 0 HG21 VAL A 102 14.447 28.782 32.854 1.00 13.39 H new ATOM 0 HG22 VAL A 102 14.201 28.247 34.324 1.00 13.39 H new ATOM 0 HG23 VAL A 102 12.979 28.432 33.334 1.00 13.39 H new ATOM 780 N ALA A 103 13.136 31.993 36.833 1.00 11.12 N ATOM 781 CA ALA A 103 13.083 33.339 37.380 1.00 3.00 C ATOM 782 C ALA A 103 14.481 34.217 37.377 1.00 13.35 C ATOM 783 O ALA A 103 15.500 33.688 37.102 1.00 14.43 O ATOM 784 CB ALA A 103 12.567 33.212 38.831 1.00 7.42 C ATOM 0 H ALA A 103 13.655 31.486 37.294 1.00 11.12 H new ATOM 0 HA ALA A 103 12.503 33.842 36.787 1.00 3.00 H new ATOM 0 HB1 ALA A 103 12.516 34.092 39.235 1.00 7.42 H new ATOM 0 HB2 ALA A 103 11.685 32.807 38.827 1.00 7.42 H new ATOM 0 HB3 ALA A 103 13.175 32.656 39.343 1.00 7.42 H new ATOM 785 N ASP A 104 14.508 35.517 37.614 1.00 11.01 N ATOM 786 CA ASP A 104 15.761 36.516 37.614 1.00 20.68 C ATOM 787 C ASP A 104 16.784 36.208 38.653 1.00 17.64 C ATOM 788 O ASP A 104 18.032 36.520 38.418 1.00 21.79 O ATOM 789 CB ASP A 104 15.444 37.943 37.884 1.00 21.37 C ATOM 790 CG ASP A 104 14.666 38.398 36.702 1.00 35.36 C ATOM 791 OD1 ASP A 104 14.757 39.642 36.460 1.00 43.20 O ATOM 792 OD2 ASP A 104 14.204 37.560 35.812 1.00 47.81 O ATOM 0 H ASP A 104 13.781 35.937 37.799 1.00 11.01 H new ATOM 0 HA ASP A 104 16.079 36.382 36.708 1.00 20.68 H new ATOM 0 HB2 ASP A 104 14.930 38.040 38.701 1.00 21.37 H new ATOM 0 HB3 ASP A 104 16.253 38.467 37.994 1.00 21.37 H new ATOM 793 N ALA A 105 16.264 35.580 39.740 1.00 13.74 N ATOM 794 CA ALA A 105 17.107 35.207 40.839 1.00 5.94 C ATOM 795 C ALA A 105 17.842 34.041 40.476 1.00 6.44 C ATOM 796 O ALA A 105 18.787 33.772 41.204 1.00 23.22 O ATOM 797 CB ALA A 105 16.250 34.837 42.105 1.00 8.36 C ATOM 0 H ALA A 105 15.434 35.375 39.834 1.00 13.74 H new ATOM 0 HA ALA A 105 17.689 35.956 41.043 1.00 5.94 H new ATOM 0 HB1 ALA A 105 16.840 34.589 42.834 1.00 8.36 H new ATOM 0 HB2 ALA A 105 15.715 35.602 42.369 1.00 8.36 H new ATOM 0 HB3 ALA A 105 15.666 34.092 41.894 1.00 8.36 H new ATOM 798 N HIS A 106 17.483 33.429 39.332 1.00 13.18 N ATOM 799 CA HIS A 106 18.180 32.346 38.834 1.00 15.57 C ATOM 800 C HIS A 106 19.515 32.890 38.151 1.00 18.75 C ATOM 801 O HIS A 106 20.412 32.150 38.082 1.00 19.76 O ATOM 802 CB HIS A 106 17.314 31.432 37.817 1.00 18.89 C ATOM 803 CG HIS A 106 16.253 30.361 38.501 1.00 13.86 C ATOM 804 ND1 HIS A 106 14.865 30.385 38.377 1.00 6.10 N ATOM 805 CD2 HIS A 106 16.436 29.292 39.249 1.00 19.79 C ATOM 806 CE1 HIS A 106 14.167 29.265 39.082 1.00 10.03 C ATOM 807 NE2 HIS A 106 15.161 28.581 39.631 1.00 20.16 N ATOM 0 H HIS A 106 16.812 33.669 38.851 1.00 13.18 H new ATOM 0 HA HIS A 106 18.395 31.753 39.571 1.00 15.57 H new ATOM 0 HB2 HIS A 106 16.814 32.021 37.231 1.00 18.89 H new ATOM 0 HB3 HIS A 106 17.930 30.933 37.259 1.00 18.89 H new ATOM 0 HD2 HIS A 106 17.277 29.001 39.518 1.00 19.79 H new ATOM 0 HE1 HIS A 106 13.255 29.091 39.125 1.00 10.03 H new ATOM 0 HE2 HIS A 106 15.093 27.871 40.111 1.00 20.16 H new ATOM 808 N PHE A 107 19.520 34.029 37.489 1.00 9.69 N ATOM 809 CA PHE A 107 20.682 34.654 36.666 1.00 22.84 C ATOM 810 C PHE A 107 22.091 34.747 37.288 1.00 7.55 C ATOM 811 O PHE A 107 22.979 34.277 36.630 1.00 14.74 O ATOM 812 CB PHE A 107 20.467 35.977 35.964 1.00 18.42 C ATOM 813 CG PHE A 107 19.463 35.667 34.793 1.00 16.22 C ATOM 814 CD1 PHE A 107 18.085 35.453 35.021 1.00 12.39 C ATOM 815 CD2 PHE A 107 19.946 35.550 33.517 1.00 8.67 C ATOM 816 CE1 PHE A 107 17.179 35.114 33.973 1.00 14.95 C ATOM 817 CE2 PHE A 107 19.049 35.209 32.462 1.00 22.05 C ATOM 818 CZ PHE A 107 17.662 34.989 32.691 1.00 15.32 C ATOM 0 H PHE A 107 18.822 34.531 37.475 1.00 9.69 H new ATOM 0 HA PHE A 107 20.649 33.926 36.026 1.00 22.84 H new ATOM 0 HB2 PHE A 107 20.103 36.640 36.571 1.00 18.42 H new ATOM 0 HB3 PHE A 107 21.303 36.333 35.624 1.00 18.42 H new ATOM 0 HD1 PHE A 107 17.756 35.536 35.887 1.00 12.39 H new ATOM 0 HD2 PHE A 107 20.848 35.691 33.340 1.00 8.67 H new ATOM 0 HE1 PHE A 107 16.277 34.980 34.153 1.00 14.95 H new ATOM 0 HE2 PHE A 107 19.381 35.128 31.597 1.00 22.05 H new ATOM 0 HZ PHE A 107 17.094 34.766 31.989 1.00 15.32 H new ATOM 819 N PRO A 108 22.287 35.190 38.540 1.00 13.81 N ATOM 820 CA PRO A 108 23.591 35.208 39.226 1.00 4.04 C ATOM 821 C PRO A 108 24.030 33.826 39.408 1.00 11.44 C ATOM 822 O PRO A 108 25.275 33.784 39.503 1.00 10.93 O ATOM 823 CB PRO A 108 23.523 35.906 40.589 1.00 20.66 C ATOM 824 CG PRO A 108 22.169 36.432 40.638 1.00 5.71 C ATOM 825 CD PRO A 108 21.394 35.914 39.365 1.00 3.00 C ATOM 0 HA PRO A 108 24.217 35.708 38.680 1.00 4.04 H new ATOM 0 HB2 PRO A 108 23.691 35.286 41.316 1.00 20.66 H new ATOM 0 HB3 PRO A 108 24.183 36.613 40.661 1.00 20.66 H new ATOM 0 HG2 PRO A 108 21.722 36.141 41.448 1.00 5.71 H new ATOM 0 HG3 PRO A 108 22.183 37.402 40.654 1.00 5.71 H new ATOM 0 HD2 PRO A 108 20.653 35.348 39.632 1.00 3.00 H new ATOM 0 HD3 PRO A 108 21.018 36.662 38.875 1.00 3.00 H new ATOM 826 N VAL A 109 23.067 32.738 39.412 1.00 14.36 N ATOM 827 CA VAL A 109 23.399 31.358 39.524 1.00 9.69 C ATOM 828 C VAL A 109 24.157 30.995 38.295 1.00 13.96 C ATOM 829 O VAL A 109 25.294 30.625 38.421 1.00 14.36 O ATOM 830 CB VAL A 109 22.130 30.265 39.715 1.00 18.77 C ATOM 831 CG1 VAL A 109 22.486 28.819 39.768 1.00 6.58 C ATOM 832 CG2 VAL A 109 21.313 30.560 40.951 1.00 3.77 C ATOM 0 H VAL A 109 22.220 32.874 39.345 1.00 14.36 H new ATOM 0 HA VAL A 109 23.898 31.277 40.352 1.00 9.69 H new ATOM 0 HB VAL A 109 21.631 30.405 38.895 1.00 18.77 H new ATOM 0 HG11 VAL A 109 21.680 28.291 39.879 1.00 6.58 H new ATOM 0 HG12 VAL A 109 22.928 28.564 38.943 1.00 6.58 H new ATOM 0 HG13 VAL A 109 23.082 28.660 40.516 1.00 6.58 H new ATOM 0 HG21 VAL A 109 20.595 29.912 41.027 1.00 3.77 H new ATOM 0 HG22 VAL A 109 21.881 30.505 41.735 1.00 3.77 H new ATOM 0 HG23 VAL A 109 20.938 31.452 40.886 1.00 3.77 H new ATOM 833 N VAL A 110 23.551 31.151 37.151 1.00 10.95 N ATOM 834 CA VAL A 110 24.167 30.827 35.892 1.00 14.26 C ATOM 835 C VAL A 110 25.472 31.809 35.595 1.00 15.96 C ATOM 836 O VAL A 110 26.477 31.365 35.123 1.00 15.66 O ATOM 837 CB VAL A 110 23.141 30.714 34.724 1.00 10.81 C ATOM 838 CG1 VAL A 110 23.802 30.527 33.360 1.00 15.35 C ATOM 839 CG2 VAL A 110 21.939 29.561 34.966 1.00 4.97 C ATOM 0 H VAL A 110 22.750 31.455 37.078 1.00 10.95 H new ATOM 0 HA VAL A 110 24.529 29.929 35.956 1.00 14.26 H new ATOM 0 HB VAL A 110 22.698 31.577 34.724 1.00 10.81 H new ATOM 0 HG11 VAL A 110 23.118 30.463 32.675 1.00 15.35 H new ATOM 0 HG12 VAL A 110 24.377 31.285 33.172 1.00 15.35 H new ATOM 0 HG13 VAL A 110 24.331 29.714 33.365 1.00 15.35 H new ATOM 0 HG21 VAL A 110 21.342 29.550 34.201 1.00 4.97 H new ATOM 0 HG22 VAL A 110 22.346 28.687 35.071 1.00 4.97 H new ATOM 0 HG23 VAL A 110 21.435 29.781 35.765 1.00 4.97 H new ATOM 840 N LYS A 111 25.538 33.045 36.081 1.00 12.23 N ATOM 841 CA LYS A 111 26.788 34.053 35.962 1.00 10.97 C ATOM 842 C LYS A 111 28.006 33.648 36.678 1.00 12.28 C ATOM 843 O LYS A 111 29.095 33.635 36.051 1.00 11.79 O ATOM 844 CB LYS A 111 26.537 35.420 36.513 1.00 10.39 C ATOM 845 CG LYS A 111 27.774 36.553 36.379 1.00 9.32 C ATOM 846 CD LYS A 111 27.367 37.890 36.848 1.00 10.72 C ATOM 847 CE LYS A 111 28.524 39.102 36.778 1.00 24.30 C ATOM 848 NZ LYS A 111 27.990 40.305 37.238 1.00 26.86 N ATOM 0 H LYS A 111 24.880 33.395 36.510 1.00 12.23 H new ATOM 0 HA LYS A 111 26.908 34.040 34.999 1.00 10.97 H new ATOM 0 HB2 LYS A 111 25.752 35.781 36.072 1.00 10.39 H new ATOM 0 HB3 LYS A 111 26.317 35.328 37.453 1.00 10.39 H new ATOM 0 HG2 LYS A 111 28.541 36.253 36.892 1.00 9.32 H new ATOM 0 HG3 LYS A 111 28.057 36.610 35.453 1.00 9.32 H new ATOM 0 HD2 LYS A 111 26.601 38.173 36.325 1.00 10.72 H new ATOM 0 HD3 LYS A 111 27.069 37.810 37.768 1.00 10.72 H new ATOM 0 HE2 LYS A 111 29.293 38.855 37.315 1.00 24.30 H new ATOM 0 HE3 LYS A 111 28.837 39.207 35.866 1.00 24.30 H new ATOM 0 HZ1 LYS A 111 28.646 40.893 37.362 1.00 26.86 H new ATOM 0 HZ2 LYS A 111 27.416 40.624 36.638 1.00 26.86 H new ATOM 0 HZ3 LYS A 111 27.567 40.167 38.009 1.00 26.86 H new ATOM 849 N GLU A 112 27.808 33.302 37.944 1.00 6.82 N ATOM 850 CA GLU A 112 28.899 32.882 38.728 1.00 13.27 C ATOM 851 C GLU A 112 29.333 31.602 38.174 1.00 6.25 C ATOM 852 O GLU A 112 30.568 31.507 38.139 1.00 12.82 O ATOM 853 CB GLU A 112 28.488 32.659 40.206 1.00 11.66 C ATOM 854 CG GLU A 112 28.298 33.984 40.912 1.00 20.94 C ATOM 855 CD GLU A 112 29.600 35.025 40.806 1.00 27.78 C ATOM 856 OE1 GLU A 112 30.732 34.703 41.082 1.00 23.68 O ATOM 857 OE2 GLU A 112 29.565 36.161 40.283 1.00 14.83 O ATOM 0 H GLU A 112 27.047 33.311 38.345 1.00 6.82 H new ATOM 0 HA GLU A 112 29.595 33.558 38.712 1.00 13.27 H new ATOM 0 HB2 GLU A 112 27.666 32.146 40.244 1.00 11.66 H new ATOM 0 HB3 GLU A 112 29.169 32.139 40.661 1.00 11.66 H new ATOM 0 HG2 GLU A 112 27.517 34.424 40.542 1.00 20.94 H new ATOM 0 HG3 GLU A 112 28.111 33.814 41.848 1.00 20.94 H new ATOM 858 N ALA A 113 28.348 30.699 37.689 1.00 8.90 N ATOM 859 CA ALA A 113 28.612 29.415 37.142 1.00 3.00 C ATOM 860 C ALA A 113 29.466 29.619 35.874 1.00 3.00 C ATOM 861 O ALA A 113 30.404 28.946 35.701 1.00 8.72 O ATOM 862 CB ALA A 113 27.263 28.469 36.859 1.00 5.00 C ATOM 0 H ALA A 113 27.509 30.888 37.701 1.00 8.90 H new ATOM 0 HA ALA A 113 29.094 28.899 37.807 1.00 3.00 H new ATOM 0 HB1 ALA A 113 27.538 27.616 36.488 1.00 5.00 H new ATOM 0 HB2 ALA A 113 26.790 28.321 37.693 1.00 5.00 H new ATOM 0 HB3 ALA A 113 26.677 28.920 36.232 1.00 5.00 H new ATOM 863 N ILE A 114 29.196 30.576 35.062 1.00 6.99 N ATOM 864 CA ILE A 114 29.961 30.937 33.824 1.00 3.00 C ATOM 865 C ILE A 114 31.392 31.671 34.113 1.00 3.82 C ATOM 866 O ILE A 114 32.379 31.368 33.469 1.00 5.63 O ATOM 867 CB ILE A 114 29.223 31.841 32.933 1.00 7.84 C ATOM 868 CG1 ILE A 114 27.975 31.015 32.255 1.00 15.87 C ATOM 869 CG2 ILE A 114 30.160 32.631 31.880 1.00 7.36 C ATOM 870 CD1 ILE A 114 27.270 31.918 31.338 1.00 13.88 C ATOM 0 H ILE A 114 28.522 31.095 35.189 1.00 6.99 H new ATOM 0 HA ILE A 114 30.105 30.072 33.409 1.00 3.00 H new ATOM 0 HB ILE A 114 28.851 32.566 33.460 1.00 7.84 H new ATOM 0 HG12 ILE A 114 28.304 30.238 31.777 1.00 15.87 H new ATOM 0 HG13 ILE A 114 27.371 30.691 32.942 1.00 15.87 H new ATOM 0 HG21 ILE A 114 29.610 33.207 31.326 1.00 7.36 H new ATOM 0 HG22 ILE A 114 30.807 33.169 32.363 1.00 7.36 H new ATOM 0 HG23 ILE A 114 30.626 31.992 31.318 1.00 7.36 H new ATOM 0 HD11 ILE A 114 26.528 31.447 30.927 1.00 13.88 H new ATOM 0 HD12 ILE A 114 26.934 32.683 31.831 1.00 13.88 H new ATOM 0 HD13 ILE A 114 27.881 32.222 30.649 1.00 13.88 H new ATOM 871 N LEU A 115 31.514 32.521 35.126 1.00 5.80 N ATOM 872 CA LEU A 115 32.863 33.254 35.473 1.00 3.00 C ATOM 873 C LEU A 115 33.759 32.314 36.069 1.00 8.31 C ATOM 874 O LEU A 115 34.969 32.407 35.688 1.00 19.39 O ATOM 875 CB LEU A 115 32.796 34.465 36.415 1.00 13.75 C ATOM 876 CG LEU A 115 32.189 35.634 35.755 1.00 10.29 C ATOM 877 CD1 LEU A 115 31.960 36.724 36.777 1.00 5.59 C ATOM 878 CD2 LEU A 115 33.047 36.294 34.578 1.00 7.48 C ATOM 0 H LEU A 115 30.865 32.722 35.653 1.00 5.80 H new ATOM 0 HA LEU A 115 33.152 33.608 34.617 1.00 3.00 H new ATOM 0 HB2 LEU A 115 32.280 34.234 37.204 1.00 13.75 H new ATOM 0 HB3 LEU A 115 33.690 34.691 36.717 1.00 13.75 H new ATOM 0 HG LEU A 115 31.375 35.286 35.359 1.00 10.29 H new ATOM 0 HD11 LEU A 115 31.560 37.495 36.344 1.00 5.59 H new ATOM 0 HD12 LEU A 115 31.365 36.398 37.470 1.00 5.59 H new ATOM 0 HD13 LEU A 115 32.808 36.980 37.173 1.00 5.59 H new ATOM 0 HD21 LEU A 115 32.564 37.051 34.211 1.00 7.48 H new ATOM 0 HD22 LEU A 115 33.900 36.594 34.928 1.00 7.48 H new ATOM 0 HD23 LEU A 115 33.198 35.638 33.880 1.00 7.48 H new ATOM 879 N LYS A 116 33.143 31.357 36.870 1.00 10.02 N ATOM 880 CA LYS A 116 33.882 30.351 37.467 1.00 7.52 C ATOM 881 C LYS A 116 34.286 29.351 36.456 1.00 9.72 C ATOM 882 O LYS A 116 35.414 28.965 36.575 1.00 13.75 O ATOM 883 CB LYS A 116 33.093 29.570 38.623 1.00 10.80 C ATOM 884 CG LYS A 116 32.992 30.489 39.843 1.00 47.88 C ATOM 885 CD LYS A 116 32.252 29.700 41.028 1.00 48.37 C ATOM 886 CE LYS A 116 32.217 30.605 42.270 1.00 42.61 C ATOM 887 NZ LYS A 116 31.564 29.800 43.390 0.00 0.00 N ATOM 0 H LYS A 116 32.300 31.333 37.037 1.00 10.02 H new ATOM 0 HA LYS A 116 34.646 30.794 37.867 1.00 7.52 H new ATOM 0 HB2 LYS A 116 32.208 29.317 38.316 1.00 10.80 H new ATOM 0 HB3 LYS A 116 33.558 28.751 38.855 1.00 10.80 H new ATOM 0 HG2 LYS A 116 33.877 30.768 40.127 1.00 47.88 H new ATOM 0 HG3 LYS A 116 32.500 31.294 39.617 1.00 47.88 H new ATOM 0 HD2 LYS A 116 31.351 29.459 40.761 1.00 48.37 H new ATOM 0 HD3 LYS A 116 32.720 28.874 41.226 1.00 48.37 H new ATOM 0 HE2 LYS A 116 33.113 30.878 42.521 1.00 42.61 H new ATOM 0 HE3 LYS A 116 31.714 31.415 42.091 1.00 42.61 H new ATOM 0 HZ1 LYS A 116 31.527 30.295 44.129 0.00 0.00 H new ATOM 0 HZ2 LYS A 116 30.740 29.567 43.147 0.00 0.00 H new ATOM 0 HZ3 LYS A 116 32.044 29.067 43.548 0.00 0.00 H new ATOM 888 N THR A 117 33.412 28.993 35.480 1.00 6.77 N ATOM 889 CA THR A 117 33.681 28.075 34.405 1.00 4.82 C ATOM 890 C THR A 117 34.896 28.707 33.570 1.00 14.05 C ATOM 891 O THR A 117 35.843 28.053 33.359 1.00 24.47 O ATOM 892 CB THR A 117 32.440 27.691 33.482 1.00 12.85 C ATOM 893 OG1 THR A 117 31.313 26.976 34.227 1.00 7.36 O ATOM 894 CG2 THR A 117 32.743 26.814 32.286 1.00 12.85 C ATOM 0 H THR A 117 32.613 29.309 35.449 1.00 6.77 H new ATOM 0 HA THR A 117 33.908 27.214 34.789 1.00 4.82 H new ATOM 0 HB THR A 117 32.175 28.574 33.179 1.00 12.85 H new ATOM 0 HG1 THR A 117 31.062 27.448 34.875 1.00 7.36 H new ATOM 0 HG21 THR A 117 31.924 26.641 31.795 1.00 12.85 H new ATOM 0 HG22 THR A 117 33.378 27.264 31.707 1.00 12.85 H new ATOM 0 HG23 THR A 117 33.121 25.974 32.588 1.00 12.85 H new ATOM 895 N ILE A 118 34.879 29.957 33.166 1.00 13.90 N ATOM 896 CA ILE A 118 35.977 30.696 32.349 1.00 6.50 C ATOM 897 C ILE A 118 37.314 30.912 33.107 1.00 5.04 C ATOM 898 O ILE A 118 38.374 30.702 32.528 1.00 18.74 O ATOM 899 CB ILE A 118 35.623 32.064 31.883 1.00 12.56 C ATOM 900 CG1 ILE A 118 34.526 31.851 30.789 1.00 9.95 C ATOM 901 CG2 ILE A 118 36.882 33.068 31.429 1.00 17.69 C ATOM 902 CD1 ILE A 118 35.006 31.173 29.529 1.00 12.07 C ATOM 0 H ILE A 118 34.213 30.472 33.343 1.00 13.90 H new ATOM 0 HA ILE A 118 36.064 30.078 31.607 1.00 6.50 H new ATOM 0 HB ILE A 118 35.294 32.583 32.633 1.00 12.56 H new ATOM 0 HG12 ILE A 118 33.806 31.324 31.170 1.00 9.95 H new ATOM 0 HG13 ILE A 118 34.151 32.714 30.553 1.00 9.95 H new ATOM 0 HG21 ILE A 118 36.527 33.925 31.147 1.00 17.69 H new ATOM 0 HG22 ILE A 118 37.480 33.198 32.182 1.00 17.69 H new ATOM 0 HG23 ILE A 118 37.370 32.663 30.695 1.00 17.69 H new ATOM 0 HD11 ILE A 118 34.266 31.081 28.909 1.00 12.07 H new ATOM 0 HD12 ILE A 118 35.706 31.706 29.121 1.00 12.07 H new ATOM 0 HD13 ILE A 118 35.355 30.295 29.747 1.00 12.07 H new ATOM 903 N LYS A 119 37.204 31.079 34.410 1.00 3.56 N ATOM 904 CA LYS A 119 38.400 31.192 35.268 1.00 13.73 C ATOM 905 C LYS A 119 39.043 29.912 35.239 1.00 17.43 C ATOM 906 O LYS A 119 40.304 29.991 35.090 1.00 18.93 O ATOM 907 CB LYS A 119 38.059 31.544 36.717 1.00 18.43 C ATOM 908 CG LYS A 119 39.349 31.844 37.580 1.00 20.93 C ATOM 909 CD LYS A 119 39.069 32.173 39.048 1.00 28.67 C ATOM 910 CE LYS A 119 38.502 33.502 39.209 0.00 0.00 C ATOM 911 NZ LYS A 119 38.400 33.827 40.635 0.00 0.00 N ATOM 0 H LYS A 119 36.455 31.131 34.830 1.00 3.56 H new ATOM 0 HA LYS A 119 38.964 31.907 34.934 1.00 13.73 H new ATOM 0 HB2 LYS A 119 37.476 32.319 36.731 1.00 18.43 H new ATOM 0 HB3 LYS A 119 37.567 30.811 37.119 1.00 18.43 H new ATOM 0 HG2 LYS A 119 39.937 31.074 37.540 1.00 20.93 H new ATOM 0 HG3 LYS A 119 39.827 32.587 37.179 1.00 20.93 H new ATOM 0 HD2 LYS A 119 38.458 31.515 39.415 1.00 28.67 H new ATOM 0 HD3 LYS A 119 39.893 32.110 39.556 1.00 28.67 H new ATOM 0 HE2 LYS A 119 39.058 34.157 38.758 0.00 0.00 H new ATOM 0 HE3 LYS A 119 37.625 33.541 38.796 0.00 0.00 H new ATOM 0 HZ1 LYS A 119 38.053 34.641 40.730 0.00 0.00 H new ATOM 0 HZ2 LYS A 119 37.875 33.232 41.039 0.00 0.00 H new ATOM 0 HZ3 LYS A 119 39.210 33.806 41.003 0.00 0.00 H new ATOM 912 N GLU A 120 38.174 28.767 35.215 1.00 14.33 N ATOM 913 CA GLU A 120 38.647 27.458 35.157 1.00 14.34 C ATOM 914 C GLU A 120 39.167 27.150 33.783 1.00 11.47 C ATOM 915 O GLU A 120 40.220 26.622 33.684 1.00 23.74 O ATOM 916 CB GLU A 120 37.530 26.301 35.599 1.00 14.22 C ATOM 917 CG GLU A 120 37.147 26.499 37.064 1.00 35.19 C ATOM 918 CD GLU A 120 36.151 25.263 37.518 1.00 43.72 C ATOM 919 OE1 GLU A 120 35.743 25.226 38.708 1.00 38.60 O ATOM 920 OE2 GLU A 120 36.145 24.165 36.904 1.00 38.01 O ATOM 0 H GLU A 120 37.316 28.825 35.235 1.00 14.33 H new ATOM 0 HA GLU A 120 39.361 27.414 35.812 1.00 14.34 H new ATOM 0 HB2 GLU A 120 36.742 26.366 35.037 1.00 14.22 H new ATOM 0 HB3 GLU A 120 37.899 25.414 35.468 1.00 14.22 H new ATOM 0 HG2 GLU A 120 37.941 26.514 37.621 1.00 35.19 H new ATOM 0 HG3 GLU A 120 36.701 27.352 37.183 1.00 35.19 H new ATOM 921 N VAL A 121 38.501 27.587 32.784 1.00 9.19 N ATOM 922 CA VAL A 121 38.907 27.461 31.396 1.00 3.00 C ATOM 923 C VAL A 121 40.347 28.185 31.135 1.00 12.32 C ATOM 924 O VAL A 121 41.164 27.567 30.536 1.00 17.71 O ATOM 925 CB VAL A 121 37.897 27.966 30.425 1.00 11.56 C ATOM 926 CG1 VAL A 121 38.422 28.069 28.976 1.00 6.86 C ATOM 927 CG2 VAL A 121 36.480 27.080 30.492 1.00 18.33 C ATOM 0 H VAL A 121 37.749 27.994 32.876 1.00 9.19 H new ATOM 0 HA VAL A 121 38.990 26.508 31.238 1.00 3.00 H new ATOM 0 HB VAL A 121 37.703 28.875 30.704 1.00 11.56 H new ATOM 0 HG11 VAL A 121 37.717 28.403 28.399 1.00 6.86 H new ATOM 0 HG12 VAL A 121 39.177 28.677 28.948 1.00 6.86 H new ATOM 0 HG13 VAL A 121 38.702 27.192 28.670 1.00 6.86 H new ATOM 0 HG21 VAL A 121 35.846 27.434 29.849 1.00 18.33 H new ATOM 0 HG22 VAL A 121 36.668 26.152 30.282 1.00 18.33 H new ATOM 0 HG23 VAL A 121 36.103 27.139 31.384 1.00 18.33 H new ATOM 928 N VAL A 122 40.665 29.440 31.571 1.00 13.49 N ATOM 929 CA VAL A 122 41.967 30.260 31.181 1.00 3.00 C ATOM 930 C VAL A 122 43.146 30.172 32.119 1.00 6.34 C ATOM 931 O VAL A 122 44.336 30.432 31.674 1.00 19.35 O ATOM 932 CB VAL A 122 41.813 31.741 30.926 1.00 5.86 C ATOM 933 CG1 VAL A 122 40.770 31.843 29.813 1.00 5.36 C ATOM 934 CG2 VAL A 122 41.432 32.429 32.212 1.00 3.00 C ATOM 0 H VAL A 122 40.152 29.876 32.107 1.00 13.49 H new ATOM 0 HA VAL A 122 42.134 29.780 30.355 1.00 3.00 H new ATOM 0 HB VAL A 122 42.625 32.187 30.639 1.00 5.86 H new ATOM 0 HG11 VAL A 122 40.619 32.776 29.595 1.00 5.36 H new ATOM 0 HG12 VAL A 122 41.090 31.375 29.026 1.00 5.36 H new ATOM 0 HG13 VAL A 122 39.938 31.442 30.111 1.00 5.36 H new ATOM 0 HG21 VAL A 122 41.332 33.381 32.053 1.00 3.00 H new ATOM 0 HG22 VAL A 122 40.593 32.066 32.537 1.00 3.00 H new ATOM 0 HG23 VAL A 122 42.125 32.284 32.875 1.00 3.00 H new ATOM 935 N GLY A 123 42.807 29.651 33.312 1.00 8.29 N ATOM 936 CA GLY A 123 43.819 29.434 34.312 1.00 17.61 C ATOM 937 C GLY A 123 44.828 30.714 34.626 1.00 17.89 C ATOM 938 O GLY A 123 44.396 31.753 35.020 1.00 16.55 O ATOM 0 H GLY A 123 42.009 29.426 33.542 1.00 8.29 H new ATOM 0 HA2 GLY A 123 43.380 29.182 35.140 1.00 17.61 H new ATOM 0 HA3 GLY A 123 44.362 28.679 34.037 1.00 17.61 H new ATOM 939 N ALA A 124 46.122 30.617 34.511 1.00 21.91 N ATOM 940 CA ALA A 124 47.240 31.723 34.850 1.00 15.61 C ATOM 941 C ALA A 124 47.253 32.974 33.982 1.00 12.95 C ATOM 942 O ALA A 124 47.989 34.075 34.292 1.00 19.75 O ATOM 943 CB ALA A 124 48.619 31.251 34.677 1.00 23.58 C ATOM 0 H ALA A 124 46.481 29.891 34.222 1.00 21.91 H new ATOM 0 HA ALA A 124 46.982 31.914 35.765 1.00 15.61 H new ATOM 0 HB1 ALA A 124 49.236 31.966 34.898 1.00 23.58 H new ATOM 0 HB2 ALA A 124 48.778 30.495 35.263 1.00 23.58 H new ATOM 0 HB3 ALA A 124 48.755 30.980 33.756 1.00 23.58 H new ATOM 944 N LYS A 125 46.506 32.787 32.899 1.00 12.79 N ATOM 945 CA LYS A 125 46.442 33.913 31.988 1.00 13.19 C ATOM 946 C LYS A 125 45.413 34.764 32.465 1.00 20.86 C ATOM 947 O LYS A 125 45.121 35.707 31.760 1.00 14.87 O ATOM 948 CB LYS A 125 46.091 33.419 30.554 1.00 17.17 C ATOM 949 CG LYS A 125 47.152 32.622 29.982 1.00 34.79 C ATOM 950 CD LYS A 125 47.045 32.478 28.451 1.00 27.87 C ATOM 951 CE LYS A 125 45.639 31.765 27.993 1.00 31.37 C ATOM 952 NZ LYS A 125 45.366 30.364 28.492 1.00 33.95 N ATOM 0 H LYS A 125 46.065 32.080 32.687 1.00 12.79 H new ATOM 0 HA LYS A 125 47.293 34.376 31.947 1.00 13.19 H new ATOM 0 HB2 LYS A 125 45.275 32.896 30.584 1.00 17.17 H new ATOM 0 HB3 LYS A 125 45.918 34.183 29.983 1.00 17.17 H new ATOM 0 HG2 LYS A 125 48.006 33.024 30.204 1.00 34.79 H new ATOM 0 HG3 LYS A 125 47.140 31.740 30.386 1.00 34.79 H new ATOM 0 HD2 LYS A 125 47.111 33.354 28.040 1.00 27.87 H new ATOM 0 HD3 LYS A 125 47.793 31.954 28.124 1.00 27.87 H new ATOM 0 HE2 LYS A 125 44.908 32.333 28.283 1.00 31.37 H new ATOM 0 HE3 LYS A 125 45.616 31.746 27.023 1.00 31.37 H new ATOM 0 HZ1 LYS A 125 44.494 30.267 28.643 1.00 33.95 H new ATOM 0 HZ2 LYS A 125 45.628 29.774 27.879 1.00 33.95 H new ATOM 0 HZ3 LYS A 125 45.815 30.225 29.248 1.00 33.95 H new ATOM 953 N TRP A 126 44.805 34.391 33.588 1.00 17.53 N ATOM 954 CA TRP A 126 43.727 35.093 34.054 1.00 13.71 C ATOM 955 C TRP A 126 44.257 36.543 34.516 1.00 21.63 C ATOM 956 O TRP A 126 45.327 36.790 35.193 1.00 13.22 O ATOM 957 CB TRP A 126 42.953 34.260 35.187 1.00 13.24 C ATOM 958 CG TRP A 126 41.671 34.817 35.586 1.00 20.15 C ATOM 959 CD1 TRP A 126 40.452 34.646 34.985 1.00 22.95 C ATOM 960 CD2 TRP A 126 41.559 35.641 36.686 1.00 16.30 C ATOM 961 NE1 TRP A 126 39.584 35.350 35.699 1.00 22.27 N ATOM 962 CE2 TRP A 126 40.232 35.929 36.693 1.00 14.36 C ATOM 963 CE3 TRP A 126 42.500 36.156 37.646 1.00 32.23 C ATOM 964 CZ2 TRP A 126 39.782 36.734 37.656 1.00 30.20 C ATOM 965 CZ3 TRP A 126 42.052 36.977 38.612 1.00 43.91 C ATOM 966 CH2 TRP A 126 40.733 37.257 38.618 1.00 41.64 C ATOM 0 H TRP A 126 45.038 33.718 34.070 1.00 17.53 H new ATOM 0 HA TRP A 126 43.057 35.232 33.366 1.00 13.71 H new ATOM 0 HB2 TRP A 126 42.812 33.356 34.866 1.00 13.24 H new ATOM 0 HB3 TRP A 126 43.522 34.198 35.970 1.00 13.24 H new ATOM 0 HD1 TRP A 126 40.270 34.138 34.228 1.00 22.95 H new ATOM 0 HE1 TRP A 126 38.741 35.418 35.541 1.00 22.27 H new ATOM 0 HE3 TRP A 126 43.400 35.925 37.599 1.00 32.23 H new ATOM 0 HZ2 TRP A 126 38.880 36.955 37.709 1.00 30.20 H new ATOM 0 HZ3 TRP A 126 42.627 37.336 39.249 1.00 43.91 H new ATOM 0 HH2 TRP A 126 40.412 37.823 39.283 1.00 41.64 H new ATOM 967 N SER A 127 43.543 37.478 34.153 1.00 13.17 N ATOM 968 CA SER A 127 43.870 38.891 34.603 1.00 14.20 C ATOM 969 C SER A 127 42.638 39.484 35.058 1.00 21.44 C ATOM 970 O SER A 127 41.465 38.954 34.700 1.00 10.94 O ATOM 971 CB SER A 127 44.597 39.813 33.501 1.00 9.34 C ATOM 972 OG SER A 127 43.648 39.991 32.468 1.00 11.67 O ATOM 0 H SER A 127 42.850 37.403 33.649 1.00 13.17 H new ATOM 0 HA SER A 127 44.530 38.834 35.312 1.00 14.20 H new ATOM 0 HB2 SER A 127 44.864 40.665 33.880 1.00 9.34 H new ATOM 0 HB3 SER A 127 45.402 39.387 33.166 1.00 9.34 H new ATOM 0 HG SER A 127 43.732 39.377 31.901 1.00 11.67 H new ATOM 973 N GLU A 128 42.918 40.599 35.767 1.00 12.20 N ATOM 974 CA GLU A 128 41.877 41.372 36.207 1.00 9.77 C ATOM 975 C GLU A 128 41.221 41.972 35.027 1.00 13.95 C ATOM 976 O GLU A 128 39.978 42.029 35.040 1.00 16.89 O ATOM 977 CB GLU A 128 42.515 42.541 37.126 1.00 19.53 C ATOM 978 CG GLU A 128 43.102 42.007 38.405 1.00 62.20 C ATOM 979 CD GLU A 128 43.823 43.203 39.218 0.00 0.00 C ATOM 980 OE1 GLU A 128 44.856 43.072 39.890 0.00 0.00 O ATOM 981 OE2 GLU A 128 43.238 44.199 39.445 0.00 0.00 O ATOM 0 H GLU A 128 43.706 40.876 35.973 1.00 12.20 H new ATOM 0 HA GLU A 128 41.228 40.857 36.711 1.00 9.77 H new ATOM 0 HB2 GLU A 128 43.205 43.003 36.625 1.00 19.53 H new ATOM 0 HB3 GLU A 128 41.830 43.195 37.335 1.00 19.53 H new ATOM 0 HG2 GLU A 128 42.405 41.609 38.949 1.00 62.20 H new ATOM 0 HG3 GLU A 128 43.743 41.306 38.209 1.00 62.20 H new ATOM 982 N GLU A 129 42.041 42.400 34.045 1.00 7.74 N ATOM 983 CA GLU A 129 41.564 42.936 32.808 1.00 6.15 C ATOM 984 C GLU A 129 40.532 41.875 32.101 1.00 14.96 C ATOM 985 O GLU A 129 39.514 42.210 31.539 1.00 11.74 O ATOM 986 CB GLU A 129 42.788 43.343 31.874 1.00 13.98 C ATOM 987 CG GLU A 129 42.405 43.976 30.554 1.00 21.61 C ATOM 988 CD GLU A 129 42.462 45.498 30.725 1.00 42.14 C ATOM 989 OE1 GLU A 129 43.274 46.286 30.008 1.00 45.68 O ATOM 990 OE2 GLU A 129 41.919 45.963 31.720 1.00 36.99 O ATOM 0 H GLU A 129 42.899 42.376 34.104 1.00 7.74 H new ATOM 0 HA GLU A 129 41.062 43.750 32.970 1.00 6.15 H new ATOM 0 HB2 GLU A 129 43.356 43.961 32.360 1.00 13.98 H new ATOM 0 HB3 GLU A 129 43.318 42.550 31.695 1.00 13.98 H new ATOM 0 HG2 GLU A 129 43.011 43.691 29.852 1.00 21.61 H new ATOM 0 HG3 GLU A 129 41.514 43.697 30.290 1.00 21.61 H new ATOM 991 N LEU A 130 40.820 40.640 32.110 1.00 21.67 N ATOM 992 CA LEU A 130 39.935 39.505 31.472 1.00 20.20 C ATOM 993 C LEU A 130 38.592 39.231 32.221 1.00 8.20 C ATOM 994 O LEU A 130 37.485 39.123 31.607 1.00 15.47 O ATOM 995 CB LEU A 130 40.632 38.242 31.545 1.00 16.42 C ATOM 996 CG LEU A 130 39.766 36.926 31.024 1.00 10.32 C ATOM 997 CD1 LEU A 130 39.516 36.952 29.507 1.00 12.19 C ATOM 998 CD2 LEU A 130 40.389 35.682 31.436 1.00 20.71 C ATOM 0 H LEU A 130 41.537 40.338 32.476 1.00 21.67 H new ATOM 0 HA LEU A 130 39.757 39.821 30.572 1.00 20.20 H new ATOM 0 HB2 LEU A 130 41.444 38.306 31.018 1.00 16.42 H new ATOM 0 HB3 LEU A 130 40.902 38.090 32.464 1.00 16.42 H new ATOM 0 HG LEU A 130 38.897 36.978 31.452 1.00 10.32 H new ATOM 0 HD11 LEU A 130 39.008 36.167 29.249 1.00 12.19 H new ATOM 0 HD12 LEU A 130 39.016 37.750 29.275 1.00 12.19 H new ATOM 0 HD13 LEU A 130 40.366 36.956 29.039 1.00 12.19 H new ATOM 0 HD21 LEU A 130 39.860 34.934 31.117 1.00 20.71 H new ATOM 0 HD22 LEU A 130 41.283 35.628 31.063 1.00 20.71 H new ATOM 0 HD23 LEU A 130 40.441 35.651 32.404 1.00 20.71 H new ATOM 999 N ASN A 131 38.721 39.226 33.524 1.00 21.04 N ATOM 1000 CA ASN A 131 37.552 38.981 34.411 1.00 3.19 C ATOM 1001 C ASN A 131 36.634 40.029 34.215 1.00 6.60 C ATOM 1002 O ASN A 131 35.375 39.660 34.139 1.00 16.50 O ATOM 1003 CB ASN A 131 38.030 39.072 35.872 1.00 13.39 C ATOM 1004 CG ASN A 131 36.780 38.733 36.757 1.00 21.85 C ATOM 1005 OD1 ASN A 131 36.340 39.667 37.370 1.00 27.34 O ATOM 1006 ND2 ASN A 131 36.018 37.580 36.440 1.00 24.47 N ATOM 0 H ASN A 131 39.463 39.359 33.937 1.00 21.04 H new ATOM 0 HA ASN A 131 37.156 38.116 34.221 1.00 3.19 H new ATOM 0 HB2 ASN A 131 38.754 38.449 36.040 1.00 13.39 H new ATOM 0 HB3 ASN A 131 38.367 39.959 36.073 1.00 13.39 H new ATOM 0 HD21 ASN A 131 35.197 37.525 36.689 1.00 24.47 H new ATOM 0 HD22 ASN A 131 36.377 36.935 35.998 1.00 24.47 H new ATOM 1007 N SER A 132 37.273 41.281 34.070 1.00 7.81 N ATOM 1008 CA SER A 132 36.518 42.406 33.892 1.00 4.59 C ATOM 1009 C SER A 132 35.840 42.368 32.533 1.00 8.52 C ATOM 1010 O SER A 132 34.712 42.749 32.425 1.00 13.34 O ATOM 1011 CB SER A 132 37.419 43.802 34.068 1.00 7.68 C ATOM 1012 OG ASER A 132 38.436 44.027 33.050 0.33 20.56 O ATOM 1013 OG BSER A 132 38.194 43.833 35.274 0.33 3.00 O ATOM 1014 OG CSER A 132 37.022 44.747 33.128 0.33 6.79 O ATOM 0 H SER A 132 38.124 41.406 34.084 1.00 7.81 H new ATOM 0 HA SER A 132 35.839 42.419 34.585 1.00 4.59 H new ATOM 0 HB2ASER A 132 36.814 44.560 34.071 0.33 7.68 H new ATOM 0 HB2BSER A 132 38.014 43.893 33.307 0.33 7.68 H new ATOM 0 HB2CSER A 132 37.306 44.158 34.963 0.33 7.68 H new ATOM 0 HB3ASER A 132 37.852 43.781 34.936 0.33 7.68 H new ATOM 0 HB3BSER A 132 36.823 44.567 34.055 0.33 7.68 H new ATOM 0 HB3CSER A 132 38.362 43.603 33.959 0.33 7.68 H new ATOM 0 HG ASER A 132 38.471 43.363 32.537 0.33 6.79 H new ATOM 0 HG BSER A 132 38.874 43.348 35.183 0.33 6.79 H new ATOM 0 HG CSER A 132 37.478 45.446 33.223 0.33 6.79 H new ATOM 1015 N ALA A 133 36.509 41.924 31.546 1.00 14.46 N ATOM 1016 CA ALA A 133 35.949 41.839 30.191 1.00 15.93 C ATOM 1017 C ALA A 133 34.651 40.792 30.068 1.00 22.92 C ATOM 1018 O ALA A 133 33.588 41.145 29.615 1.00 10.53 O ATOM 1019 CB ALA A 133 37.016 41.556 29.168 1.00 10.48 C ATOM 0 H ALA A 133 37.321 41.649 31.608 1.00 14.46 H new ATOM 0 HA ALA A 133 35.585 42.716 29.995 1.00 15.93 H new ATOM 0 HB1 ALA A 133 36.614 41.506 28.286 1.00 10.48 H new ATOM 0 HB2 ALA A 133 37.675 42.267 29.183 1.00 10.48 H new ATOM 0 HB3 ALA A 133 37.447 40.712 29.375 1.00 10.48 H new ATOM 1020 N TRP A 134 34.690 39.593 30.604 1.00 15.24 N ATOM 1021 CA TRP A 134 33.473 38.544 30.646 1.00 9.66 C ATOM 1022 C TRP A 134 32.367 38.960 31.524 1.00 16.54 C ATOM 1023 O TRP A 134 31.147 38.578 31.216 1.00 12.71 O ATOM 1024 CB TRP A 134 33.777 37.169 31.147 1.00 6.18 C ATOM 1025 CG TRP A 134 34.415 36.362 30.079 1.00 7.31 C ATOM 1026 CD1 TRP A 134 35.733 36.322 29.835 1.00 15.50 C ATOM 1027 CD2 TRP A 134 33.694 35.443 29.176 1.00 7.61 C ATOM 1028 NE1 TRP A 134 35.844 35.412 28.777 1.00 10.98 N ATOM 1029 CE2 TRP A 134 34.651 34.913 28.391 1.00 15.22 C ATOM 1030 CE3 TRP A 134 32.314 35.038 28.998 1.00 15.80 C ATOM 1031 CZ2 TRP A 134 34.275 33.984 27.380 1.00 14.31 C ATOM 1032 CZ3 TRP A 134 31.934 34.099 27.981 1.00 7.70 C ATOM 1033 CH2 TRP A 134 32.888 33.594 27.191 1.00 6.14 C ATOM 0 H TRP A 134 35.400 39.287 30.980 1.00 15.24 H new ATOM 0 HA TRP A 134 33.255 38.528 29.701 1.00 9.66 H new ATOM 0 HB2 TRP A 134 34.365 37.221 31.917 1.00 6.18 H new ATOM 0 HB3 TRP A 134 32.960 36.738 31.443 1.00 6.18 H new ATOM 0 HD1 TRP A 134 36.412 36.788 30.266 1.00 15.50 H new ATOM 0 HE1 TRP A 134 36.592 35.194 28.412 1.00 10.98 H new ATOM 0 HE3 TRP A 134 31.660 35.394 29.555 1.00 15.80 H new ATOM 0 HZ2 TRP A 134 34.930 33.619 26.830 1.00 14.31 H new ATOM 0 HZ3 TRP A 134 31.045 33.848 27.874 1.00 7.70 H new ATOM 0 HH2 TRP A 134 32.663 32.992 26.519 1.00 6.14 H new ATOM 1034 N THR A 135 32.782 39.744 32.555 1.00 19.45 N ATOM 1035 CA THR A 135 31.808 40.206 33.480 1.00 14.73 C ATOM 1036 C THR A 135 31.001 41.183 32.813 1.00 9.24 C ATOM 1037 O THR A 135 29.729 40.965 32.884 1.00 8.71 O ATOM 1038 CB THR A 135 32.524 40.877 34.733 1.00 8.49 C ATOM 1039 OG1 THR A 135 33.066 39.885 35.507 1.00 14.72 O ATOM 1040 CG2 THR A 135 31.570 41.554 35.613 1.00 11.84 C ATOM 0 H THR A 135 33.592 39.992 32.704 1.00 19.45 H new ATOM 0 HA THR A 135 31.264 39.466 33.793 1.00 14.73 H new ATOM 0 HB THR A 135 33.174 41.506 34.384 1.00 8.49 H new ATOM 0 HG1 THR A 135 33.824 39.679 35.209 1.00 14.72 H new ATOM 0 HG21 THR A 135 32.044 41.948 36.362 1.00 11.84 H new ATOM 0 HG22 THR A 135 31.111 42.251 35.118 1.00 11.84 H new ATOM 0 HG23 THR A 135 30.922 40.912 35.943 1.00 11.84 H new ATOM 1041 N ILE A 136 31.718 42.150 32.097 1.00 12.51 N ATOM 1042 CA ILE A 136 31.067 43.130 31.360 1.00 4.65 C ATOM 1043 C ILE A 136 30.109 42.446 30.290 1.00 7.04 C ATOM 1044 O ILE A 136 28.915 42.680 30.243 1.00 14.62 O ATOM 1045 CB ILE A 136 32.121 44.239 30.704 1.00 19.02 C ATOM 1046 CG1 ILE A 136 33.078 45.033 31.740 1.00 29.95 C ATOM 1047 CG2 ILE A 136 31.431 45.215 29.856 1.00 15.21 C ATOM 1048 CD1 ILE A 136 34.310 45.908 31.071 1.00 26.78 C ATOM 0 H ILE A 136 32.576 42.194 32.071 1.00 12.51 H new ATOM 0 HA ILE A 136 30.510 43.653 31.957 1.00 4.65 H new ATOM 0 HB ILE A 136 32.711 43.675 30.180 1.00 19.02 H new ATOM 0 HG12 ILE A 136 32.527 45.634 32.265 1.00 29.95 H new ATOM 0 HG13 ILE A 136 33.461 44.389 32.356 1.00 29.95 H new ATOM 0 HG21 ILE A 136 32.076 45.842 29.493 1.00 15.21 H new ATOM 0 HG22 ILE A 136 30.985 44.754 29.129 1.00 15.21 H new ATOM 0 HG23 ILE A 136 30.775 45.696 30.384 1.00 15.21 H new ATOM 0 HD11 ILE A 136 34.819 46.341 31.774 1.00 26.78 H new ATOM 0 HD12 ILE A 136 34.892 45.316 30.569 1.00 26.78 H new ATOM 0 HD13 ILE A 136 33.943 46.581 30.476 1.00 26.78 H new ATOM 1049 N ALA A 137 30.609 41.581 29.523 1.00 13.27 N ATOM 1050 CA ALA A 137 29.821 40.835 28.442 1.00 10.61 C ATOM 1051 C ALA A 137 28.509 39.995 28.953 1.00 13.56 C ATOM 1052 O ALA A 137 27.407 40.062 28.372 1.00 9.96 O ATOM 1053 CB ALA A 137 30.671 39.896 27.734 1.00 7.02 C ATOM 0 H ALA A 137 31.437 41.352 29.559 1.00 13.27 H new ATOM 0 HA ALA A 137 29.500 41.554 27.876 1.00 10.61 H new ATOM 0 HB1 ALA A 137 30.151 39.436 27.056 1.00 7.02 H new ATOM 0 HB2 ALA A 137 31.401 40.375 27.312 1.00 7.02 H new ATOM 0 HB3 ALA A 137 31.030 39.248 28.360 1.00 7.02 H new ATOM 1054 N TYR A 138 28.616 39.351 30.088 1.00 13.42 N ATOM 1055 CA TYR A 138 27.416 38.561 30.723 1.00 3.00 C ATOM 1056 C TYR A 138 26.403 39.462 31.151 1.00 16.70 C ATOM 1057 O TYR A 138 25.191 39.149 30.788 1.00 17.46 O ATOM 1058 CB TYR A 138 27.785 37.732 31.933 1.00 9.05 C ATOM 1059 CG TYR A 138 26.533 36.749 32.449 1.00 21.00 C ATOM 1060 CD1 TYR A 138 25.696 37.180 33.394 1.00 12.76 C ATOM 1061 CD2 TYR A 138 26.227 35.453 31.939 1.00 19.44 C ATOM 1062 CE1 TYR A 138 24.546 36.327 33.831 1.00 5.06 C ATOM 1063 CE2 TYR A 138 25.084 34.580 32.381 1.00 13.54 C ATOM 1064 CZ TYR A 138 24.244 35.026 33.327 1.00 10.38 C ATOM 1065 OH TYR A 138 23.058 34.146 33.792 1.00 9.26 O ATOM 0 H TYR A 138 29.340 39.320 30.551 1.00 13.42 H new ATOM 0 HA TYR A 138 27.117 37.966 30.018 1.00 3.00 H new ATOM 0 HB2 TYR A 138 28.556 37.183 31.721 1.00 9.05 H new ATOM 0 HB3 TYR A 138 28.047 38.322 32.657 1.00 9.05 H new ATOM 0 HD1 TYR A 138 25.827 38.014 33.783 1.00 12.76 H new ATOM 0 HD2 TYR A 138 26.784 35.117 31.274 1.00 19.44 H new ATOM 0 HE1 TYR A 138 23.982 36.673 34.484 1.00 5.06 H new ATOM 0 HE2 TYR A 138 24.961 33.740 32.002 1.00 13.54 H new ATOM 0 HH TYR A 138 23.016 34.152 34.631 1.00 9.26 H new ATOM 1066 N ASP A 139 26.882 40.515 31.918 1.00 17.16 N ATOM 1067 CA ASP A 139 26.001 41.438 32.448 1.00 10.99 C ATOM 1068 C ASP A 139 25.231 42.042 31.355 1.00 3.00 C ATOM 1069 O ASP A 139 23.990 42.055 31.496 1.00 9.65 O ATOM 1070 CB ASP A 139 26.818 42.643 33.198 1.00 3.00 C ATOM 1071 CG ASP A 139 27.232 42.159 34.551 1.00 15.38 C ATOM 1072 OD1 ASP A 139 26.733 40.985 34.922 1.00 15.06 O ATOM 1073 OD2 ASP A 139 28.311 42.742 35.080 1.00 19.47 O ATOM 0 H ASP A 139 27.711 40.652 32.102 1.00 17.16 H new ATOM 0 HA ASP A 139 25.423 40.985 33.082 1.00 10.99 H new ATOM 0 HB2 ASP A 139 27.596 42.898 32.678 1.00 3.00 H new ATOM 0 HB3 ASP A 139 26.259 43.432 33.278 1.00 3.00 H new ATOM 1074 N GLU A 140 25.957 42.545 30.325 1.00 4.86 N ATOM 1075 CA GLU A 140 25.336 43.190 29.228 1.00 11.29 C ATOM 1076 C GLU A 140 24.281 42.197 28.480 1.00 16.52 C ATOM 1077 O GLU A 140 23.165 42.540 28.195 1.00 14.02 O ATOM 1078 CB GLU A 140 26.406 43.902 28.241 1.00 7.19 C ATOM 1079 CG GLU A 140 27.406 45.030 28.930 1.00 17.25 C ATOM 1080 CD GLU A 140 26.641 46.109 29.478 1.00 30.43 C ATOM 1081 OE1 GLU A 140 25.628 46.381 28.856 1.00 20.26 O ATOM 1082 OE2 GLU A 140 27.210 46.950 30.320 1.00 22.40 O ATOM 0 H GLU A 140 26.815 42.505 30.276 1.00 4.86 H new ATOM 0 HA GLU A 140 24.805 43.925 29.573 1.00 11.29 H new ATOM 0 HB2 GLU A 140 26.957 43.211 27.841 1.00 7.19 H new ATOM 0 HB3 GLU A 140 25.917 44.329 27.520 1.00 7.19 H new ATOM 0 HG2 GLU A 140 27.938 44.616 29.628 1.00 17.25 H new ATOM 0 HG3 GLU A 140 28.025 45.370 28.266 1.00 17.25 H new ATOM 1083 N LEU A 141 24.588 40.983 28.284 1.00 11.70 N ATOM 1084 CA LEU A 141 23.622 39.924 27.626 1.00 3.00 C ATOM 1085 C LEU A 141 22.379 39.501 28.512 1.00 14.61 C ATOM 1086 O LEU A 141 21.207 39.356 28.020 1.00 14.37 O ATOM 1087 CB LEU A 141 24.314 38.694 27.276 1.00 9.74 C ATOM 1088 CG LEU A 141 23.418 37.566 26.466 1.00 6.08 C ATOM 1089 CD1 LEU A 141 22.848 38.109 25.184 1.00 8.87 C ATOM 1090 CD2 LEU A 141 24.214 36.422 26.124 1.00 8.37 C ATOM 0 H LEU A 141 25.353 40.656 28.501 1.00 11.70 H new ATOM 0 HA LEU A 141 23.298 40.394 26.842 1.00 3.00 H new ATOM 0 HB2 LEU A 141 25.085 38.921 26.732 1.00 9.74 H new ATOM 0 HB3 LEU A 141 24.651 38.290 28.091 1.00 9.74 H new ATOM 0 HG LEU A 141 22.698 37.319 27.068 1.00 6.08 H new ATOM 0 HD11 LEU A 141 22.331 37.418 24.741 1.00 8.87 H new ATOM 0 HD12 LEU A 141 22.274 38.866 25.380 1.00 8.87 H new ATOM 0 HD13 LEU A 141 23.571 38.394 24.603 1.00 8.87 H new ATOM 0 HD21 LEU A 141 23.666 35.776 25.651 1.00 8.37 H new ATOM 0 HD22 LEU A 141 24.951 36.698 25.557 1.00 8.37 H new ATOM 0 HD23 LEU A 141 24.564 36.017 26.933 1.00 8.37 H new ATOM 1091 N ALA A 142 22.633 39.454 29.803 1.00 11.10 N ATOM 1092 CA ALA A 142 21.544 39.041 30.767 1.00 4.60 C ATOM 1093 C ALA A 142 20.607 40.087 30.902 1.00 18.63 C ATOM 1094 O ALA A 142 19.357 39.688 31.024 1.00 10.23 O ATOM 1095 CB ALA A 142 22.100 38.745 32.152 1.00 7.70 C ATOM 0 H ALA A 142 23.391 39.644 30.163 1.00 11.10 H new ATOM 0 HA ALA A 142 21.132 38.240 30.407 1.00 4.60 H new ATOM 0 HB1 ALA A 142 21.376 38.484 32.743 1.00 7.70 H new ATOM 0 HB2 ALA A 142 22.746 38.023 32.094 1.00 7.70 H new ATOM 0 HB3 ALA A 142 22.533 39.539 32.503 1.00 7.70 H new ATOM 1096 N ILE A 143 21.179 41.370 30.784 1.00 16.03 N ATOM 1097 CA ILE A 143 20.354 42.461 30.830 1.00 11.84 C ATOM 1098 C ILE A 143 19.321 42.324 29.701 1.00 13.68 C ATOM 1099 O ILE A 143 18.107 42.415 29.950 1.00 9.82 O ATOM 1100 CB ILE A 143 21.268 43.863 30.767 1.00 10.55 C ATOM 1101 CG1 ILE A 143 22.066 44.163 32.076 1.00 13.88 C ATOM 1102 CG2 ILE A 143 20.482 45.020 30.438 1.00 25.85 C ATOM 1103 CD1 ILE A 143 23.260 45.337 31.905 1.00 19.02 C ATOM 0 H ILE A 143 22.017 41.537 30.683 1.00 16.03 H new ATOM 0 HA ILE A 143 19.861 42.512 31.664 1.00 11.84 H new ATOM 0 HB ILE A 143 21.906 43.687 30.058 1.00 10.55 H new ATOM 0 HG12 ILE A 143 21.444 44.447 32.764 1.00 13.88 H new ATOM 0 HG13 ILE A 143 22.477 43.341 32.387 1.00 13.88 H new ATOM 0 HG21 ILE A 143 21.053 45.803 30.414 1.00 25.85 H new ATOM 0 HG22 ILE A 143 20.069 44.895 29.569 1.00 25.85 H new ATOM 0 HG23 ILE A 143 19.792 45.144 31.109 1.00 25.85 H new ATOM 0 HD11 ILE A 143 23.709 45.468 32.755 1.00 19.02 H new ATOM 0 HD12 ILE A 143 23.904 45.049 31.240 1.00 19.02 H new ATOM 0 HD13 ILE A 143 22.855 46.172 31.622 1.00 19.02 H new ATOM 1104 N VAL A 144 19.765 41.937 28.548 1.00 15.74 N ATOM 1105 CA VAL A 144 18.874 41.695 27.384 1.00 21.89 C ATOM 1106 C VAL A 144 17.791 40.445 27.561 1.00 22.10 C ATOM 1107 O VAL A 144 16.571 40.516 27.331 1.00 16.32 O ATOM 1108 CB VAL A 144 19.680 41.561 26.089 1.00 28.20 C ATOM 1109 CG1 VAL A 144 18.734 41.252 24.871 1.00 21.98 C ATOM 1110 CG2 VAL A 144 20.770 42.820 25.836 1.00 20.58 C ATOM 0 H VAL A 144 20.598 41.797 28.384 1.00 15.74 H new ATOM 0 HA VAL A 144 18.317 42.488 27.332 1.00 21.89 H new ATOM 0 HB VAL A 144 20.261 40.790 26.184 1.00 28.20 H new ATOM 0 HG11 VAL A 144 19.263 41.171 24.062 1.00 21.98 H new ATOM 0 HG12 VAL A 144 18.261 40.421 25.032 1.00 21.98 H new ATOM 0 HG13 VAL A 144 18.094 41.973 24.767 1.00 21.98 H new ATOM 0 HG21 VAL A 144 21.245 42.674 25.003 1.00 20.58 H new ATOM 0 HG22 VAL A 144 20.289 43.661 25.790 1.00 20.58 H new ATOM 0 HG23 VAL A 144 21.405 42.851 26.569 1.00 20.58 H new ATOM 1111 N ILE A 145 18.216 39.352 27.988 1.00 24.38 N ATOM 1112 CA ILE A 145 17.241 38.104 28.164 1.00 21.76 C ATOM 1113 C ILE A 145 16.180 38.233 29.227 1.00 27.86 C ATOM 1114 O ILE A 145 14.952 37.885 28.936 1.00 19.81 O ATOM 1115 CB ILE A 145 17.956 36.887 28.436 1.00 20.52 C ATOM 1116 CG1 ILE A 145 18.756 36.574 27.186 1.00 18.28 C ATOM 1117 CG2 ILE A 145 16.937 35.642 28.888 1.00 10.74 C ATOM 1118 CD1 ILE A 145 19.625 35.466 27.452 1.00 19.95 C ATOM 0 H ILE A 145 19.034 39.203 28.208 1.00 24.38 H new ATOM 0 HA ILE A 145 16.796 38.080 27.303 1.00 21.76 H new ATOM 0 HB ILE A 145 18.549 36.994 29.196 1.00 20.52 H new ATOM 0 HG12 ILE A 145 18.159 36.363 26.451 1.00 18.28 H new ATOM 0 HG13 ILE A 145 19.274 37.349 26.917 1.00 18.28 H new ATOM 0 HG21 ILE A 145 17.459 34.843 29.061 1.00 10.74 H new ATOM 0 HG22 ILE A 145 16.455 35.893 29.691 1.00 10.74 H new ATOM 0 HG23 ILE A 145 16.305 35.466 28.174 1.00 10.74 H new ATOM 0 HD11 ILE A 145 20.140 35.260 26.656 1.00 19.95 H new ATOM 0 HD12 ILE A 145 20.228 35.694 28.177 1.00 19.95 H new ATOM 0 HD13 ILE A 145 19.096 34.693 27.703 1.00 19.95 H new ATOM 1119 N LYS A 146 16.629 38.894 30.321 1.00 9.99 N ATOM 1120 CA LYS A 146 15.721 39.169 31.404 1.00 9.33 C ATOM 1121 C LYS A 146 14.733 40.076 30.947 1.00 23.81 C ATOM 1122 O LYS A 146 13.556 39.914 31.422 1.00 26.81 O ATOM 1123 CB LYS A 146 16.531 39.836 32.610 1.00 11.52 C ATOM 1124 CG LYS A 146 16.958 38.755 33.533 1.00 15.55 C ATOM 1125 CD LYS A 146 18.363 39.195 34.170 1.00 18.14 C ATOM 1126 CE LYS A 146 18.435 40.412 35.118 1.00 21.43 C ATOM 1127 NZ LYS A 146 19.851 40.844 35.548 1.00 33.76 N ATOM 0 H LYS A 146 17.434 39.175 30.433 1.00 9.99 H new ATOM 0 HA LYS A 146 15.304 38.348 31.708 1.00 9.33 H new ATOM 0 HB2 LYS A 146 17.302 40.319 32.274 1.00 11.52 H new ATOM 0 HB3 LYS A 146 15.975 40.480 33.076 1.00 11.52 H new ATOM 0 HG2 LYS A 146 16.296 38.618 34.228 1.00 15.55 H new ATOM 0 HG3 LYS A 146 17.047 37.915 33.057 1.00 15.55 H new ATOM 0 HD2 LYS A 146 18.712 38.431 34.655 1.00 18.14 H new ATOM 0 HD3 LYS A 146 18.972 39.366 33.435 1.00 18.14 H new ATOM 0 HE2 LYS A 146 18.003 41.165 34.684 1.00 21.43 H new ATOM 0 HE3 LYS A 146 17.920 40.211 35.915 1.00 21.43 H new ATOM 0 HZ1 LYS A 146 19.828 41.681 35.849 1.00 33.76 H new ATOM 0 HZ2 LYS A 146 20.143 40.305 36.193 1.00 33.76 H new ATOM 0 HZ3 LYS A 146 20.401 40.796 34.850 1.00 33.76 H new ATOM 1128 N LYS A 147 15.217 40.989 30.061 1.00 17.25 N ATOM 1129 CA LYS A 147 14.385 41.915 29.496 1.00 23.33 C ATOM 1130 C LYS A 147 13.266 41.135 28.630 1.00 13.22 C ATOM 1131 O LYS A 147 12.054 41.293 28.790 1.00 25.09 O ATOM 1132 CB LYS A 147 15.279 42.995 28.642 1.00 35.79 C ATOM 1133 CG LYS A 147 14.478 44.008 27.986 1.00 40.17 C ATOM 1134 CD LYS A 147 15.396 45.003 27.069 0.00 0.00 C ATOM 1135 CE LYS A 147 16.118 44.243 26.025 0.00 0.00 C ATOM 1136 NZ LYS A 147 16.904 45.205 25.095 0.00 0.00 N ATOM 0 H LYS A 147 16.039 41.039 29.812 1.00 17.25 H new ATOM 0 HA LYS A 147 13.908 42.435 30.162 1.00 23.33 H new ATOM 0 HB2 LYS A 147 15.910 43.427 29.239 1.00 35.79 H new ATOM 0 HB3 LYS A 147 15.799 42.520 27.975 1.00 35.79 H new ATOM 0 HG2 LYS A 147 13.808 43.581 27.430 1.00 40.17 H new ATOM 0 HG3 LYS A 147 14.003 44.528 28.653 1.00 40.17 H new ATOM 0 HD2 LYS A 147 14.834 45.676 26.654 0.00 0.00 H new ATOM 0 HD3 LYS A 147 16.032 45.472 27.631 0.00 0.00 H new ATOM 0 HE2 LYS A 147 16.729 43.615 26.440 0.00 0.00 H new ATOM 0 HE3 LYS A 147 15.488 43.723 25.502 0.00 0.00 H new ATOM 0 HZ1 LYS A 147 17.332 44.733 24.473 0.00 0.00 H new ATOM 0 HZ2 LYS A 147 16.337 45.767 24.702 0.00 0.00 H new ATOM 0 HZ3 LYS A 147 17.494 45.667 25.575 0.00 0.00 H new ATOM 1137 N GLU A 148 13.664 40.254 27.807 1.00 21.40 N ATOM 1138 CA GLU A 148 12.685 39.396 26.963 1.00 16.51 C ATOM 1139 C GLU A 148 11.739 38.346 27.773 1.00 29.29 C ATOM 1140 O GLU A 148 10.618 37.848 27.276 1.00 27.42 O ATOM 1141 CB GLU A 148 13.390 38.671 25.871 1.00 15.09 C ATOM 1142 CG GLU A 148 14.397 39.646 25.012 1.00 28.12 C ATOM 1143 CD GLU A 148 13.656 40.693 24.365 1.00 48.27 C ATOM 1144 OE1 GLU A 148 12.451 40.359 23.978 1.00 37.79 O ATOM 1145 OE2 GLU A 148 14.207 41.919 24.312 1.00 44.72 O ATOM 0 H GLU A 148 14.494 40.078 27.666 1.00 21.40 H new ATOM 0 HA GLU A 148 12.079 40.065 26.607 1.00 16.51 H new ATOM 0 HB2 GLU A 148 13.900 37.939 26.251 1.00 15.09 H new ATOM 0 HB3 GLU A 148 12.735 38.280 25.272 1.00 15.09 H new ATOM 0 HG2 GLU A 148 15.063 40.032 25.602 1.00 28.12 H new ATOM 0 HG3 GLU A 148 14.874 39.123 24.349 1.00 28.12 H new ATOM 1146 N MET A 149 12.207 37.959 28.923 1.00 30.39 N ATOM 1147 CA MET A 149 11.369 36.969 29.791 1.00 20.79 C ATOM 1148 C MET A 149 10.257 37.639 30.396 1.00 24.21 C ATOM 1149 O MET A 149 9.072 37.005 30.512 1.00 23.25 O ATOM 1150 CB MET A 149 12.185 36.516 30.965 1.00 11.84 C ATOM 1151 CG MET A 149 13.134 35.525 30.560 1.00 10.90 C ATOM 1152 SD MET A 149 14.195 35.095 31.891 1.00 23.15 S ATOM 1153 CE MET A 149 12.888 34.572 33.108 1.00 15.75 C ATOM 0 H MET A 149 12.959 38.205 29.261 1.00 30.39 H new ATOM 0 HA MET A 149 11.094 36.247 29.205 1.00 20.79 H new ATOM 0 HB2 MET A 149 12.647 37.274 31.357 1.00 11.84 H new ATOM 0 HB3 MET A 149 11.602 36.153 31.651 1.00 11.84 H new ATOM 0 HG2 MET A 149 12.668 34.735 30.244 1.00 10.90 H new ATOM 0 HG3 MET A 149 13.660 35.860 29.817 1.00 10.90 H new ATOM 0 HE1 MET A 149 13.261 33.923 33.725 1.00 15.75 H new ATOM 0 HE2 MET A 149 12.578 35.347 33.603 1.00 15.75 H new ATOM 0 HE3 MET A 149 12.143 34.174 32.632 1.00 15.75 H new ATOM 1154 N ASP A 150 10.654 38.880 30.812 1.00 37.17 N ATOM 1155 CA ASP A 150 9.661 39.607 31.427 1.00 55.42 C ATOM 1156 C ASP A 150 8.628 39.904 30.397 1.00 52.86 C ATOM 1157 O ASP A 150 7.393 39.756 30.702 1.00 46.56 O ATOM 1158 CB ASP A 150 10.344 40.907 32.146 1.00 53.19 C ATOM 1159 CG ASP A 150 11.148 40.516 33.343 1.00 51.87 C ATOM 1160 OD1 ASP A 150 11.199 39.289 33.569 0.00 0.00 O ATOM 1161 OD2 ASP A 150 11.523 41.375 34.242 0.00 0.00 O ATOM 0 H ASP A 150 11.431 39.241 30.733 1.00 37.17 H new ATOM 0 HA ASP A 150 9.207 39.132 32.140 1.00 55.42 H new ATOM 0 HB2 ASP A 150 10.913 41.367 31.510 1.00 53.19 H new ATOM 0 HB3 ASP A 150 9.651 41.532 32.411 1.00 53.19 H new ATOM 1162 N ASP A 151 9.078 39.960 29.156 1.00 48.33 N ATOM 1163 CA ASP A 151 8.167 39.991 28.008 1.00 48.43 C ATOM 1164 C ASP A 151 7.443 38.587 27.594 1.00 61.50 C ATOM 1165 O ASP A 151 6.421 38.473 26.847 1.00 58.64 O ATOM 1166 CB ASP A 151 8.941 40.681 26.791 1.00 57.67 C ATOM 1167 CG ASP A 151 9.212 42.216 26.988 1.00 51.91 C ATOM 1168 OD1 ASP A 151 9.620 42.700 28.104 0.00 0.00 O ATOM 1169 OD2 ASP A 151 8.704 42.954 26.182 0.00 0.00 O ATOM 0 H ASP A 151 9.912 39.981 28.948 1.00 48.33 H new ATOM 0 HA ASP A 151 7.396 40.514 28.278 1.00 48.43 H new ATOM 0 HB2 ASP A 151 9.788 40.227 26.661 1.00 57.67 H new ATOM 0 HB3 ASP A 151 8.425 40.555 25.980 1.00 57.67 H new ATOM 1170 N ALA A 152 7.977 37.545 27.999 1.00 53.61 N ATOM 1171 CA ALA A 152 7.373 36.161 27.605 1.00 47.25 C ATOM 1172 C ALA A 152 6.344 35.529 28.631 1.00 62.16 C ATOM 1173 O ALA A 152 5.741 34.333 28.471 1.00 55.63 O ATOM 1174 CB ALA A 152 8.450 35.241 27.523 1.00 49.58 C ATOM 0 H ALA A 152 8.677 37.512 28.497 1.00 53.61 H new ATOM 0 HA ALA A 152 6.887 36.318 26.781 1.00 47.25 H new ATOM 0 HB1 ALA A 152 8.110 34.366 27.279 1.00 49.58 H new ATOM 0 HB2 ALA A 152 9.082 35.541 26.851 1.00 49.58 H new ATOM 0 HB3 ALA A 152 8.895 35.186 28.383 1.00 49.58 H new ATOM 1175 N ALA A 153 6.318 36.275 29.715 1.00 57.14 N ATOM 1176 CA ALA A 153 5.531 35.810 30.916 1.00 59.66 C ATOM 1177 C ALA A 153 4.190 36.340 30.999 1.00 52.98 C ATOM 1178 O ALA A 153 4.176 37.505 31.464 0.00 0.00 O ATOM 1179 CB ALA A 153 6.366 36.240 32.187 1.00 56.12 C ATOM 1180 OXT ALA A 153 3.210 35.796 30.292 0.00 0.00 O ATOM 0 H ALA A 153 6.722 37.029 29.806 1.00 57.14 H new ATOM 0 HA ALA A 153 5.408 34.850 30.849 1.00 59.66 H new ATOM 0 HB1 ALA A 153 5.899 35.962 32.990 1.00 56.12 H new ATOM 0 HB2 ALA A 153 7.239 35.818 32.159 1.00 56.12 H new ATOM 0 HB3 ALA A 153 6.473 37.204 32.193 1.00 56.12 H new TER 1181 ALA A 153 HETATM 1182 FE HEM A 154 18.337 29.133 29.750 1.00 16.26 FE HETATM 1183 CHA HEM A 154 16.347 26.734 27.712 1.00 29.49 C HETATM 1184 CHB HEM A 154 20.111 30.392 26.920 1.00 20.22 C HETATM 1185 CHC HEM A 154 19.947 31.815 31.560 1.00 6.30 C HETATM 1186 CHD HEM A 154 16.771 27.687 32.468 1.00 12.65 C HETATM 1187 NA HEM A 154 18.196 28.680 27.649 1.00 22.78 N HETATM 1188 C1A HEM A 154 17.339 27.632 27.046 1.00 11.50 C HETATM 1189 C2A HEM A 154 17.718 27.563 25.639 1.00 18.34 C HETATM 1190 C3A HEM A 154 18.802 28.564 25.438 1.00 18.35 C HETATM 1191 C4A HEM A 154 19.090 29.285 26.702 1.00 38.36 C HETATM 1192 CMA HEM A 154 19.638 28.899 24.152 1.00 19.83 C HETATM 1193 CAA HEM A 154 17.067 26.480 24.627 1.00 41.05 C HETATM 1194 CBA HEM A 154 18.032 25.453 24.351 1.00 50.96 C HETATM 1195 CGA HEM A 154 17.534 24.464 23.228 0.00 0.00 C HETATM 1196 O1A HEM A 154 16.734 24.790 22.365 0.00 0.00 O HETATM 1197 O2A HEM A 154 18.225 23.562 22.935 0.00 0.00 O HETATM 1198 NB HEM A 154 19.753 30.831 29.304 1.00 10.12 N HETATM 1199 C1B HEM A 154 20.403 31.117 28.102 1.00 26.07 C HETATM 1200 C2B HEM A 154 21.460 32.301 28.265 1.00 30.17 C HETATM 1201 C3B HEM A 154 21.364 32.763 29.543 1.00 22.65 C HETATM 1202 C4B HEM A 154 20.301 31.802 30.210 1.00 7.75 C HETATM 1203 CMB HEM A 154 22.463 32.856 27.148 1.00 3.60 C HETATM 1204 CAB HEM A 154 22.221 33.994 30.242 1.00 14.91 C HETATM 1205 CBB HEM A 154 22.692 35.140 29.587 1.00 5.04 C HETATM 1206 NC HEM A 154 18.362 29.657 31.655 1.00 14.64 N HETATM 1207 C1C HEM A 154 19.079 30.806 32.237 1.00 16.59 C HETATM 1208 C2C HEM A 154 18.817 30.748 33.675 1.00 17.10 C HETATM 1209 C3C HEM A 154 18.007 29.553 33.931 1.00 19.06 C HETATM 1210 C4C HEM A 154 17.673 28.886 32.651 1.00 23.98 C HETATM 1211 CMC HEM A 154 19.407 31.836 34.697 1.00 6.99 C HETATM 1212 CAC HEM A 154 17.487 28.982 35.298 1.00 14.87 C HETATM 1213 CBC HEM A 154 18.188 28.187 35.975 1.00 6.12 C HETATM 1214 ND HEM A 154 16.732 27.577 30.021 1.00 19.16 N HETATM 1215 C1D HEM A 154 16.321 27.094 31.265 1.00 12.58 C HETATM 1216 C2D HEM A 154 15.355 25.839 31.114 1.00 13.14 C HETATM 1217 C3D HEM A 154 15.228 25.584 29.786 1.00 22.02 C HETATM 1218 C4D HEM A 154 16.097 26.681 29.086 1.00 31.71 C HETATM 1219 CMD HEM A 154 14.691 24.971 32.285 1.00 10.48 C HETATM 1220 CAD HEM A 154 14.436 24.317 29.105 1.00 17.34 C HETATM 1221 CBD HEM A 154 15.345 23.229 28.954 1.00 24.05 C HETATM 1222 CGD HEM A 154 14.465 21.898 28.549 1.00 49.61 C HETATM 1223 O1D HEM A 154 14.167 21.666 27.341 1.00 44.19 O HETATM 1224 O2D HEM A 154 13.901 21.105 29.434 1.00 47.49 O HETATM 0 HMA1 HEM A 154 19.920 29.827 24.182 1.00 19.83 H new HETATM 0 HMA2 HEM A 154 19.092 28.753 23.364 1.00 19.83 H new HETATM 0 HMA3 HEM A 154 20.419 28.325 24.115 1.00 19.83 H new HETATM 0 HMB1 HEM A 154 22.699 32.138 26.540 1.00 3.60 H new HETATM 0 HMB2 HEM A 154 23.266 33.196 27.574 1.00 3.60 H new HETATM 0 HMB3 HEM A 154 22.033 33.571 26.653 1.00 3.60 H new HETATM 0 HMC1 HEM A 154 20.251 32.174 34.359 1.00 6.99 H new HETATM 0 HMC2 HEM A 154 19.549 31.423 35.563 1.00 6.99 H new HETATM 0 HMC3 HEM A 154 18.778 32.569 34.788 1.00 6.99 H new HETATM 0 HMD1 HEM A 154 13.840 24.616 31.983 1.00 10.48 H new HETATM 0 HMD2 HEM A 154 14.548 25.532 33.063 1.00 10.48 H new HETATM 0 HMD3 HEM A 154 15.282 24.238 32.519 1.00 10.48 H new HETATM 0 HBB1 HEM A 154 23.188 35.812 30.081 1.00 5.04 H new HETATM 0 HBB2 HEM A 154 22.522 35.261 28.640 1.00 5.04 H new HETATM 0 HBC1 HEM A 154 17.853 27.842 36.818 1.00 6.12 H new HETATM 0 HBC2 HEM A 154 19.063 27.918 35.654 1.00 6.12 H new HETATM 0 HBA1 HEM A 154 18.214 24.954 25.163 1.00 50.96 H new HETATM 0 HBA2 HEM A 154 18.868 25.861 24.075 1.00 50.96 H new HETATM 0 HAA1 HEM A 154 16.795 26.914 23.803 1.00 41.05 H new HETATM 0 HAA2 HEM A 154 16.269 26.092 25.020 1.00 41.05 H new HETATM 0 HBD1 HEM A 154 15.834 23.077 29.778 1.00 24.05 H new HETATM 0 HBD2 HEM A 154 16.001 23.426 28.267 1.00 24.05 H new HETATM 0 HAD1 HEM A 154 14.073 24.573 28.242 1.00 17.34 H new HETATM 0 HAD2 HEM A 154 13.686 24.053 29.661 1.00 17.34 H new HETATM 0 HHA HEM A 154 15.855 26.163 27.167 1.00 29.49 H new HETATM 0 HHB HEM A 154 20.614 30.625 26.173 1.00 20.22 H new HETATM 0 HHC HEM A 154 20.279 32.510 32.081 1.00 6.30 H new HETATM 0 HHD HEM A 154 16.472 27.285 33.251 1.00 12.65 H new HETATM 0 HAB HEM A 154 22.415 33.915 31.189 1.00 14.91 H new HETATM 0 HAC HEM A 154 16.613 29.246 35.625 1.00 14.87 H new HETATM 1225 N NIO A 155 20.032 28.148 30.272 1.00 12.20 N HETATM 1226 C1 NIO A 155 19.629 26.989 29.595 1.00 7.83 C HETATM 1227 C2 NIO A 155 20.254 25.876 29.797 1.00 11.55 C HETATM 1228 C3 NIO A 155 21.308 25.958 30.697 1.00 21.85 C HETATM 1229 C4 NIO A 155 21.708 27.154 31.384 1.00 15.70 C HETATM 1230 C5 NIO A 155 21.056 28.247 31.157 1.00 12.43 C HETATM 1231 C6 NIO A 155 19.777 24.603 29.042 1.00 14.95 C HETATM 1232 O1 NIO A 155 20.466 23.710 28.999 1.00 16.23 O HETATM 1233 O2 NIO A 155 18.831 24.577 28.270 1.00 19.40 O HETATM 0 H5 NIO A 155 21.284 29.084 31.591 1.00 12.43 H new HETATM 0 H4 NIO A 155 22.452 27.142 32.006 1.00 15.70 H new HETATM 0 H3 NIO A 155 21.811 25.148 30.875 1.00 21.85 H new HETATM 0 H1 NIO A 155 18.883 27.022 28.976 1.00 7.83 H new HETATM 1234 O HOH A 156 25.643 15.272 29.112 1.00 10.93 O HETATM 1235 O HOH A 157 28.081 17.080 28.909 1.00 16.21 O HETATM 1236 O HOH A 158 23.378 45.268 27.334 1.00 17.60 O HETATM 1237 O HOH A 159 47.203 35.688 36.667 1.00 22.58 O HETATM 1238 O HOH A 160 24.995 36.809 21.718 1.00 27.74 O HETATM 1239 O HOH A 161 26.858 36.542 40.107 1.00 31.85 O HETATM 1240 O HOH A 162 26.247 19.537 41.774 1.00 36.43 O HETATM 1241 O HOH A 163 32.086 50.775 15.020 1.00 28.93 O HETATM 1242 O HOH A 164 29.405 39.223 17.722 1.00 28.25 O HETATM 1243 O HOH A 165 27.965 52.392 19.843 1.00 12.59 O HETATM 1244 O HOH A 166 19.616 45.710 20.146 1.00 31.44 O HETATM 1245 O HOH A 167 21.486 48.160 20.815 1.00 26.94 O HETATM 1246 O HOH A 168 22.223 47.420 23.477 1.00 29.70 O HETATM 1247 O HOH A 169 24.497 47.142 25.250 1.00 24.48 O HETATM 1248 O HOH A 170 21.883 48.542 29.127 1.00 24.11 O HETATM 1249 O HOH A 171 24.634 48.691 29.764 1.00 14.13 O HETATM 1250 O HOH A 172 26.069 48.537 32.161 1.00 25.10 O HETATM 1251 O HOH A 173 15.770 30.987 20.611 1.00 40.73 O HETATM 1252 O HOH A 174 34.270 20.131 22.296 1.00 30.72 O HETATM 1253 O HOH A 175 30.656 38.934 39.933 1.00 28.97 O HETATM 1254 O HOH A 176 33.096 40.099 38.436 1.00 26.77 O HETATM 1255 O HOH A 177 42.275 26.548 36.007 1.00 48.08 O HETATM 1256 O HOH A 178 29.573 51.831 24.853 1.00 8.94 O HETATM 1257 O HOH A 179 23.391 40.029 17.702 1.00 35.06 O HETATM 1258 O HOH A 180 29.675 26.217 20.487 1.00 49.83 O HETATM 1259 O HOH A 181 40.921 45.467 34.462 1.00 47.95 O HETATM 1260 O HOH A 182 13.476 36.195 40.718 1.00 27.44 O HETATM 1261 O HOH A 183 23.013 41.923 34.274 1.00 27.78 O HETATM 1262 O HOH A 184 13.112 23.644 41.320 1.00 48.74 O HETATM 1263 O HOH A 185 17.304 43.606 32.380 1.00 34.92 O HETATM 1264 O HOH A 186 26.006 38.939 39.538 1.00 42.24 O HETATM 1265 O HOH A 187 21.475 47.079 26.834 1.00 44.55 O HETATM 1266 O HOH A 188 29.556 45.008 33.634 1.00 42.16 O HETATM 1267 O HOH A 189 38.396 42.172 37.474 1.00 42.07 O HETATM 1268 O HOH A 190 44.174 37.937 30.899 1.00 38.31 O HETATM 1269 O HOH A 191 47.071 28.289 33.280 1.00 49.14 O HETATM 1270 O HOH A 192 38.617 49.147 21.111 1.00 47.27 O HETATM 1271 O HOH A 193 25.021 39.557 20.820 1.00 46.53 O HETATM 1272 O HOH A 194 25.488 24.095 20.885 1.00 45.29 O HETATM 1273 O HOH A 195 32.149 49.279 24.816 1.00 36.55 O HETATM 1274 O HOH A 196 22.058 10.145 34.918 1.00 38.72 O HETATM 1275 O HOH A 197 20.302 9.832 31.644 1.00 40.20 O HETATM 1276 O HOH A 198 18.195 11.724 30.919 1.00 48.66 O HETATM 1277 O HOH A 199 35.495 15.724 26.087 1.00 43.17 O HETATM 1278 O HOH A 200 39.797 24.189 26.644 1.00 38.61 O HETATM 1279 O HOH A 201 42.780 32.979 26.645 1.00 43.50 O HETATM 1280 O HOH A 202 42.550 34.793 19.054 1.00 45.06 O HETATM 1281 O HOH A 203 42.388 37.397 20.597 1.00 46.29 O HETATM 1282 O HOH A 204 42.327 31.037 22.199 1.00 34.94 O HETATM 1283 O HOH A 205 17.388 11.629 43.565 1.00 55.67 O HETATM 1284 O HOH A 206 27.137 38.736 16.048 1.00 41.89 O HETATM 1285 O HOH A 207 28.706 14.517 22.206 1.00 46.73 O HETATM 1286 O HOH A 208 23.594 38.307 37.693 1.00 43.58 O HETATM 1287 O HOH A 209 20.908 38.945 37.906 1.00 37.26 O HETATM 1288 O HOH A 210 36.813 35.044 35.302 1.00 37.22 O HETATM 1289 O HOH A 211 11.757 36.224 37.442 1.00 36.93 O HETATM 1290 O HOH A 212 24.120 39.749 35.354 1.00 38.00 O HETATM 1291 O HOH A 213 30.065 27.750 22.912 1.00 42.92 O HETATM 1292 O HOH A 214 36.052 23.683 33.509 1.00 48.91 O HETATM 1293 O HOH A 215 28.140 50.912 36.092 1.00 42.22 O HETATM 1294 O HOH A 216 20.464 25.566 26.063 1.00 28.78 O HETATM 1295 O HOH A 217 46.631 37.297 29.778 1.00 49.68 O HETATM 1296 O HOH A 218 20.638 15.613 37.311 1.00 52.09 O HETATM 1297 O HOH A 219 45.577 42.592 24.787 1.00 57.28 O HETATM 1298 O HOH A 220 43.846 49.254 24.100 1.00 54.63 O CONECT 746 1182 CONECT 1182 746 1187 1198 1206 CONECT 1182 1214 1225 CONECT 1183 1188 1218 CONECT 1184 1191 1199 CONECT 1185 1202 1207 CONECT 1186 1210 1215 CONECT 1187 1182 1188 1191 CONECT 1188 1183 1187 1189 CONECT 1189 1188 1190 1193 CONECT 1190 1189 1191 1192 CONECT 1191 1184 1187 1190 CONECT 1192 1190 CONECT 1193 1189 1194 CONECT 1194 1193 1195 CONECT 1195 1194 1196 1197 CONECT 1196 1195 CONECT 1197 1195 CONECT 1198 1182 1199 1202 CONECT 1199 1184 1198 1200 CONECT 1200 1199 1201 1203 CONECT 1201 1200 1202 1204 CONECT 1202 1185 1198 1201 CONECT 1203 1200 CONECT 1204 1201 1205 CONECT 1205 1204 CONECT 1206 1182 1207 1210 CONECT 1207 1185 1206 1208 CONECT 1208 1207 1209 1211 CONECT 1209 1208 1210 1212 CONECT 1210 1186 1206 1209 CONECT 1211 1208 CONECT 1212 1209 1213 CONECT 1213 1212 CONECT 1214 1182 1215 1218 CONECT 1215 1186 1214 1216 CONECT 1216 1215 1217 1219 CONECT 1217 1216 1218 1220 CONECT 1218 1183 1214 1217 CONECT 1219 1216 CONECT 1220 1217 1221 CONECT 1221 1220 1222 CONECT 1222 1221 1223 1224 CONECT 1223 1222 CONECT 1224 1222 CONECT 1225 1182 1226 1230 CONECT 1226 1225 1227 CONECT 1227 1226 1228 1231 CONECT 1228 1227 1229 CONECT 1229 1228 1230 CONECT 1230 1225 1229 CONECT 1231 1227 1232 1233 CONECT 1232 1231 CONECT 1233 1231 END