USER MOD reduce.3.24.130724 H: found=0, std=0, add=1236, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER OXYGEN TRANSPORT 23-APR-82 1LH2 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 (AQUO 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 1LH2 1 VERSN REVDAT 2 30-SEP-83 1LH2 1 REVDAT REVDAT 1 20-JAN-83 1LH2 0 JRNL AUTH E.G.ARUTYUNYAN,I.P.KURANOVA,B.K.VAINSHTEIN, JRNL AUTH 2 W.STEIGEMANN JRNL TITL X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. JRNL TITL 2 VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A JRNL TITL 3 RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN) JRNL REF KRISTALLOGRAFIYA V. 25 80 1980 JRNL REFN ISSN 0023-4761 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH E.G.ARUTYUNYAN,I.P.KURANOVA,B.K.VAINSHTEIN, REMARK 1 AUTH 2 W.STEIGEMANN REMARK 1 TITL X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. REMARK 1 TITL 2 VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A REMARK 1 TITL 3 RESOLUTION OF 2.0 ANGSTROMS REMARK 1 REF SOV.PHYS.CRYSTALLOGR.(ENGL. V. 25 43 1980 REMARK 1 REF 2 TRANSL.) REMARK 1 REFN ISSN 0038-5638 REMARK 1 REFERENCE 2 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTYUNYAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,YU.V.NEKRASOV REMARK 1 TITL X-RAY DIFFRACTION STUDY OF LEGHEMOGLOBIN. IV. REMARK 1 TITL 2 DETERMINATION OF THE STRUCTURE WITH 2.8 ANGSTROMS REMARK 1 TITL 3 RESOLUTION (RUSSIAN) REMARK 1 REF KRISTALLOGRAFIYA V. 23 517 1978 REMARK 1 REFN ISSN 0023-4761 REMARK 1 REFERENCE 3 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTYUNYAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,YU.V.NEKRASOV REMARK 1 TITL X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. REMARK 1 TITL 2 IV. STRUCTURE DETERMINATION AT A RESOLUTION OF 2.8 REMARK 1 TITL 3 ANGSTROMS REMARK 1 REF SOV.PHYS.CRYSTALLOGR.(ENGL. V. 23 287 1978 REMARK 1 REF 2 TRANSL.) REMARK 1 REFN ISSN 0038-5638 REMARK 1 REFERENCE 4 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTIUNIAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,N.V.KONAREVA,IU.V.NEKRASOV REMARK 1 TITL SPATIAL STRUCTURE OF LUPINE LEGHEMOGLOBIN WITH THE REMARK 1 TITL 2 2.8 ANGSTROMS RESOLUTION (RUSSIAN) REMARK 1 REF DOKL.AKAD.NAUK SSSR V. 233 238 1977 REMARK 1 REFN ISSN 0002-3264 REMARK 1 REFERENCE 5 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTYUNYAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,N.V.KONAREVA,YU.V.NEKRASOV REMARK 1 TITL THREE-DIMENSIONAL STRUCTURE OF LUPINE REMARK 1 TITL 2 LEGHEMOGLOBIN WITH A RESOLUTION OF 2.8 ANGSTROMS REMARK 1 REF DOKL.BIOCHEM.(ENGL.TRANSL.) V. 233 67 1977 REMARK 1 REFN ISSN 0012-4958 REMARK 1 REFERENCE 6 REMARK 1 AUTH E.G.ARUTYUNYAN,I.P.KURANOVA,A.I.GREBENKO, REMARK 1 AUTH 2 A.A.VORONOVA REMARK 1 TITL X-RAY STRUCTURAL STUDY OF LEGHEMOGLOBIN. III. REMARK 1 TITL 2 CRYSTALLOGRAPHIC DATA ON THE STRUCTURE OF THE REMARK 1 TITL 3 FIRST COMPONENT (RUSSIAN) REMARK 1 REF KRISTALLOGRAFIYA V. 22 634 1977 REMARK 1 REFN ISSN 0023-4761 REMARK 1 REFERENCE 7 REMARK 1 AUTH E.G.ARUTYUNYAN,I.P.KURANOVA,A.I.GREBENKO, REMARK 1 AUTH 2 A.A.VORONOVA REMARK 1 TITL X-RAY STRUCTURAL STUDY OF LEGHEMOGLOBIN. III. REMARK 1 TITL 2 CRYSTALLOGRAPHIC DATA REGARDING THE STRUCTURE OF REMARK 1 TITL 3 THE FIRST COMPONENT REMARK 1 REF SOV.PHYS.CRYSTALLOGR.(ENGL. V. 22 362 1977 REMARK 1 REF 2 TRANSL.) REMARK 1 REFN ISSN 0038-5638 REMARK 1 REFERENCE 8 REMARK 1 AUTH S.VUK-PAVLOVIC,B.BENKO,S.MARICIC, REMARK 1 AUTH 2 G.LAHAJNAR I.P.KURANOVA,B.K.VAINSHTEIN REMARK 1 TITL THE HAEM-ACCESSIBILITY IN LEGHAEMOGLOBIN OF REMARK 1 TITL 2 LUPINUS LUTEUS AS OBSERVED BY PROTON MAGNETIC REMARK 1 TITL 3 RELAXATION REMARK 1 REF INT.J.PEPT.PROTEIN RES. V. 8 427 1976 REMARK 1 REFN ISSN 0367-8377 REMARK 1 REFERENCE 9 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTYUNYAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,N.V.KONAREVA REMARK 1 TITL THE X-RAY STRUCTURAL STUDY OF LEGHEMOGLOBIN. II. REMARK 1 TITL 2 DETERMINATION OF THE STRUCTURE AT 5 ANGSTROMS REMARK 1 TITL 3 RESOLUTION (RUSSIAN) REMARK 1 REF KRISTALLOGRAFIYA V. 19 971 1974 REMARK 1 REFN ISSN 0023-4761 REMARK 1 REFERENCE 10 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTYUNYAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,N.V.KONAREVA REMARK 1 TITL X-RAY STUDY OF LEGHEMOGLOBIN. II. DETERMINATION OF REMARK 1 TITL 2 THE STRUCTURE WITH RESOLUTION OF 5 ANGSTROMS REMARK 1 REF SOV.PHYS.CRYSTALLOGR.(ENGL. V. 19 602 1975 REMARK 1 REF 2 TRANSL.) REMARK 1 REFN ISSN 0038-5638 REMARK 1 REFERENCE 11 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTYUNYAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,N.V.KONAREVA REMARK 1 TITL THE X-RAY STRUCTURAL STUDY OF LEGHEMOGLOBIN. I. REMARK 1 TITL 2 PURIFICATION, CRYSTALLIZATION, AND PRODUCTION OF REMARK 1 TITL 3 DERIVATIVES CONTAINING HEAVY ATOMS (RUSSIAN) REMARK 1 REF KRISTALLOGRAFIYA V. 19 964 1974 REMARK 1 REFN ISSN 0023-4761 REMARK 1 REFERENCE 12 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTYUNYAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,N.V.KONAREVA REMARK 1 TITL X-RAY STUDY OF LEGHEMOGLOBIN. I.PURIFICATION, REMARK 1 TITL 2 CRYSTALLIZATION, AND PREPARATION OF DERIVATIVES REMARK 1 TITL 3 CONTAINING HEAVY ATOMS REMARK 1 REF SOV.PHYS.CRYSTALLOGR.(ENGL. V. 19 598 1975 REMARK 1 REF 2 TRANSL.) REMARK 1 REFN ISSN 0038-5638 REMARK 1 REFERENCE 13 REMARK 1 AUTH B.K.VAINSHTEIN,E.H.HARUTYUNYAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKY, REMARK 1 AUTH 3 A.I.GREBENKO,N.V.KONAREVA REMARK 1 TITL STRUCTURE OF LEGHAEMOGLOBIN FROM LUPIN ROOT REMARK 1 TITL 2 NODULES AT 5 ANGSTROMS RESOLUTION REMARK 1 REF NATURE V. 254 163 1975 REMARK 1 REFN ISSN 0028-0836 REMARK 1 REFERENCE 14 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTIUNIAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,N.V.KONAREVA REMARK 1 TITL X-RAY DETERMINATION OF THREE-DIMENSIONAL STRUCTURE REMARK 1 TITL 2 OF LEGHEMOGLOBIN FROM LUPINUS LUTEUS L. AT 5 REMARK 1 TITL 3 ANGSTROMS RESOLUTION (RUSSIAN) REMARK 1 REF DOKL.AKAD.NAUK SSSR V. 216 690 1974 REMARK 1 REFN ISSN 0002-3264 REMARK 1 REFERENCE 15 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTYUNYAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,N.V.KONAREVA REMARK 1 TITL X-RAY DIFFRACTION DETERMINATION OF THE REMARK 1 TITL 2 THREE-DIMENSIONAL STRUCTURE OF LEGHEMOGLOBIN OF REMARK 1 TITL 3 LUPINUS LUTEUS L. WITH 5 ANGSTROMS RESOLUTION REMARK 1 REF DOKL.BIOCHEM.(ENGL.TRANSL.) V. 216 226 1974 REMARK 1 REFN ISSN 0012-4958 REMARK 1 REFERENCE 16 REMARK 1 AUTH E.G.ARUTYUNYAN,V.N.ZAITSEV,G.YA.ZHIZNEVSKAYA, REMARK 1 AUTH 2 L.I.BORODENKO REMARK 1 TITL CELL PARAMETERS OF CRYSTALLINE PLANT (LUPINUS REMARK 1 TITL 2 LUTEUS (LUPINE)) HEMOGLOBIN (RUSSIAN) REMARK 1 REF KRISTALLOGRAFIYA V. 16 237 1971 REMARK 1 REFN ISSN 0023-4761 REMARK 1 REFERENCE 17 REMARK 1 AUTH E.G.ARUTYUNYAN,V.N.ZAITSEV,G.YA.ZHIZNEVSKAYA, REMARK 1 AUTH 2 L.I.BORODENKO REMARK 1 TITL UNIT-CELL PARAMETERS OF CRYSTALLINE PLANT REMARK 1 TITL 2 HEMOGLOBIN REMARK 1 REF SOV.PHYS.CRYSTALLOGR.(ENGL. V. 16 193 1971 REMARK 1 REF 2 TRANSL.) REMARK 1 REFN ISSN 0038-5638 REMARK 2 REMARK 2 RESOLUTION. 2.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : NULL REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING SET) : NULL REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1180 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 44 REMARK 3 SOLVENT ATOMS : 67 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : NULL REMARK 3 BOND ANGLES (DEGREES) : NULL REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1LH2 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 (%): 55.23 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.75 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 46.61000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 26.00500 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 46.61000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 26.00500 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 66 NZ REMARK 480 LYS A 69 NZ REMARK 480 LYS A 91 CD CE NZ REMARK 480 LYS A 100 NZ REMARK 480 LYS A 116 NZ REMARK 480 LYS A 119 CE NZ REMARK 480 GLU A 128 CD OE1 OE2 REMARK 480 LYS A 147 CD CE NZ REMARK 480 ASP A 150 OD1 OD2 REMARK 480 ASP A 151 OD1 OD2 REMARK 480 ALA A 153 O OXT REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 217 DISTANCE = 7.51 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 HOH A 155 O REMARK 620 2 HIS A 97 NE2 168.8 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 DBREF 1LH2 A 1 153 UNP P02240 LGB2_LUPLU 1 153 SEQADV 1LH2 GLU A 79 UNP P02240 GLN 79 CONFLICT SEQADV 1LH2 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 HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETSYN HEM HEME FORMUL 2 HEM C34 H32 FE N4 O4 FORMUL 3 HOH *68(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 O HOH A 155 FE HEM A 154 1555 1555 1.77 LINK NE2 HIS A 97 FE HEM A 154 1555 1555 2.12 SITE *** AC1 14 LEU A 43 PHE A 44 SER A 45 HIS A 63 SITE *** AC1 14 VAL A 67 LEU A 93 HIS A 97 LYS A 100 SITE *** AC1 14 VAL A 102 HIS A 106 PHE A 107 VAL A 110 SITE *** AC1 14 TYR A 138 HOH A 155 CRYST1 93.220 38.260 52.010 90.00 90.00 98.80 B 2 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.010727 0.001661 0.000000 0.00000 SCALE2 0.000000 0.026448 0.000000 0.00000 SCALE3 0.000000 0.000000 0.019227 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 97 HIS HE2 : A 97 HIS NE2 : A 154 HEMFE :(H bumps) USER MOD Set 1.1: A 7 GLN : amide:sc= 0.0174 K(o=1.1,f=-5.5!) USER MOD Set 1.2: A 132 SER OG A: rot -21:sc= 1.08 USER MOD Set 2.1: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 72 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 4 THR OG1 : rot -150:sc= 0.775 USER MOD Set 3.2: A 6 SER OG : rot -32:sc= 0.61 USER MOD Single : A 1 GLY N :NH3+ -170:sc= 0 (180deg=-0.0808) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -13:sc= 1.25 USER MOD Single : A 19 ASN : amide:sc= 1 K(o=1,f=-1.6) USER MOD Single : A 21 ASN :FLIP amide:sc= -1.24! C(o=-4.7!,f=-1.2!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS :FLIP no HE2:sc= -0.577 F(o=-3.1!,f=-0.58) USER MOD Single : A 26 THR OG1 : rot -77:sc= 1.41 USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.181 F(o=-0.71,f=-0.18) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -75:sc= 0.00763 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -76:sc= 1.38 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.268 K(o=-0.27,f=-2.3!) USER MOD Single : A 56 ASN : amide:sc= -0.0624 X(o=-0.062,f=-0.011) USER MOD Single : A 57 ASN : amide:sc= -1.3 K(o=-1.3,f=-5.5!) USER MOD Single : A 61 GLN :FLIP amide:sc= -0.439 F(o=-3.3!,f=-0.44) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -0.753 F(o=-2.2!,f=-0.75) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN :FLIP amide:sc= 0.307 F(o=-2.6!,f=0.31) USER MOD Single : A 81 THR OG1 : rot -47:sc= 1.34 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0498 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0228 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.244 X(o=-0.24,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= 0.899 K(o=0.9,f=-6.3!) USER MOD Single : A 111 LYS NZ :NH3+ 174:sc= 1.22 (180deg=1.12) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 65:sc= 0.444 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ -148:sc= 0.0336 (180deg=-0.132) USER MOD Single : A 127 SER OG : rot -73:sc= 1.45 USER MOD Single : A 131 ASN : amide:sc= 0.248 X(o=0.25,f=0.57) USER MOD Single : A 132 SER OG B: rot 88:sc= 1.27 USER MOD Single : A 132 SER OG C: rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot 87:sc= 1.9 USER MOD Single : A 138 TYR OH : rot -40:sc= 0.518 USER MOD Single : A 146 LYS NZ :NH3+ 176:sc= 0.461 (180deg=0.459) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 MET CE :methyl 159:sc= -0.288 (180deg=-1.22) USER MOD Single : A 154 HEM CMA :methyl -30:sc= -0.288 (180deg=-1.41) USER MOD Single : A 154 HEM CMB :methyl -30:sc= -0.624 (180deg=-2.57!) USER MOD Single : A 154 HEM CMC :methyl -30:sc= -0.672 (180deg=-3.44!) USER MOD Single : A 154 HEM CMD :methyl 150:sc= -0.401 (180deg=-0.401) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 35.429 49.571 32.389 1.00 64.30 N ATOM 2 CA GLY A 1 36.550 49.075 31.644 1.00 64.64 C ATOM 3 C GLY A 1 36.555 49.348 30.131 1.00 67.70 C ATOM 4 O GLY A 1 37.651 49.794 29.552 0.00 0.00 O ATOM 0 H1 GLY A 1 35.592 49.490 33.260 1.00 64.30 H new ATOM 0 H2 GLY A 1 35.297 50.429 32.191 1.00 64.30 H new ATOM 0 H3 GLY A 1 34.702 49.103 32.179 1.00 64.30 H new ATOM 0 HA2 GLY A 1 37.357 49.457 32.022 1.00 64.64 H new ATOM 0 HA3 GLY A 1 36.601 48.116 31.778 1.00 64.64 H new ATOM 5 N ALA A 2 35.300 49.228 29.605 1.00 66.13 N ATOM 6 CA ALA A 2 34.825 49.523 28.262 1.00 57.83 C ATOM 7 C ALA A 2 34.610 48.296 27.348 1.00 44.32 C ATOM 8 O ALA A 2 33.567 48.127 26.658 1.00 55.01 O ATOM 9 CB ALA A 2 35.721 50.710 27.556 0.00 0.00 C ATOM 0 H ALA A 2 34.656 48.940 30.097 1.00 66.13 H new ATOM 0 HA ALA A 2 33.924 49.863 28.382 1.00 57.83 H new ATOM 0 HB1 ALA A 2 35.382 50.885 26.664 0.00 0.00 H new ATOM 0 HB2 ALA A 2 35.663 51.519 28.088 0.00 0.00 H new ATOM 0 HB3 ALA A 2 36.647 50.427 27.500 0.00 0.00 H new ATOM 10 N LEU A 3 35.659 47.718 27.145 1.00 50.10 N ATOM 11 CA LEU A 3 35.899 46.795 26.026 1.00 31.95 C ATOM 12 C LEU A 3 36.895 47.359 24.945 1.00 37.17 C ATOM 13 O LEU A 3 36.550 47.818 23.848 1.00 33.74 O ATOM 14 CB LEU A 3 34.751 45.769 25.524 1.00 36.94 C ATOM 15 CG LEU A 3 34.578 44.520 26.446 1.00 26.26 C ATOM 16 CD1 LEU A 3 33.074 43.974 26.664 1.00 42.22 C ATOM 17 CD2 LEU A 3 35.137 43.402 25.698 1.00 32.75 C ATOM 0 H LEU A 3 36.345 47.814 27.655 1.00 50.10 H new ATOM 0 HA LEU A 3 36.376 46.093 26.495 1.00 31.95 H new ATOM 0 HB2 LEU A 3 33.906 46.242 25.472 1.00 36.94 H new ATOM 0 HB3 LEU A 3 34.965 45.471 24.626 1.00 36.94 H new ATOM 0 HG LEU A 3 34.961 44.788 27.296 1.00 26.26 H new ATOM 0 HD11 LEU A 3 33.092 43.202 27.250 1.00 42.22 H new ATOM 0 HD12 LEU A 3 32.531 44.671 27.065 1.00 42.22 H new ATOM 0 HD13 LEU A 3 32.694 43.721 25.808 1.00 42.22 H new ATOM 0 HD21 LEU A 3 35.059 42.590 26.223 1.00 32.75 H new ATOM 0 HD22 LEU A 3 34.653 43.296 24.864 1.00 32.75 H new ATOM 0 HD23 LEU A 3 36.072 43.575 25.508 1.00 32.75 H new ATOM 18 N THR A 4 38.149 47.383 25.365 1.00 22.23 N ATOM 19 CA THR A 4 39.274 47.945 24.569 1.00 30.37 C ATOM 20 C THR A 4 39.614 46.832 23.680 1.00 16.32 C ATOM 21 O THR A 4 39.039 45.627 23.800 1.00 16.33 O ATOM 22 CB THR A 4 40.501 48.489 25.450 1.00 35.44 C ATOM 23 OG1 THR A 4 41.002 47.307 25.926 1.00 33.18 O ATOM 24 CG2 THR A 4 40.121 49.378 26.630 1.00 29.32 C ATOM 0 H THR A 4 38.392 47.073 26.129 1.00 22.23 H new ATOM 0 HA THR A 4 39.031 48.751 24.088 1.00 30.37 H new ATOM 0 HB THR A 4 41.092 49.054 24.928 1.00 35.44 H new ATOM 0 HG1 THR A 4 41.355 47.434 26.677 1.00 33.18 H new ATOM 0 HG21 THR A 4 40.924 49.655 27.098 1.00 29.32 H new ATOM 0 HG22 THR A 4 39.649 50.161 26.306 1.00 29.32 H new ATOM 0 HG23 THR A 4 39.548 48.884 27.237 1.00 29.32 H new ATOM 25 N GLU A 5 40.385 47.250 22.736 1.00 15.27 N ATOM 26 CA GLU A 5 40.715 46.316 21.767 1.00 14.16 C ATOM 27 C GLU A 5 41.380 45.247 22.477 1.00 28.80 C ATOM 28 O GLU A 5 41.246 44.061 22.040 1.00 26.25 O ATOM 29 CB GLU A 5 41.708 47.137 20.775 1.00 32.31 C ATOM 30 CG GLU A 5 41.792 46.413 19.414 1.00 57.61 C ATOM 31 CD GLU A 5 42.188 47.451 18.289 1.00 62.35 C ATOM 32 OE1 GLU A 5 41.281 47.936 17.638 1.00 52.09 O ATOM 33 OE2 GLU A 5 43.414 47.988 18.170 1.00 54.56 O ATOM 0 H GLU A 5 40.712 48.041 22.647 1.00 15.27 H new ATOM 0 HA GLU A 5 39.985 45.931 21.258 1.00 14.16 H new ATOM 0 HB2 GLU A 5 41.381 48.042 20.651 1.00 32.31 H new ATOM 0 HB3 GLU A 5 42.591 47.206 21.170 1.00 32.31 H new ATOM 0 HG2 GLU A 5 42.449 45.700 19.456 1.00 57.61 H new ATOM 0 HG3 GLU A 5 40.940 46.001 19.202 1.00 57.61 H new ATOM 34 N SER A 6 42.121 45.652 23.508 1.00 24.33 N ATOM 35 CA SER A 6 42.899 44.683 24.155 1.00 9.70 C ATOM 36 C SER A 6 41.951 43.782 25.089 1.00 16.17 C ATOM 37 O SER A 6 42.073 42.550 25.210 1.00 15.37 O ATOM 38 CB SER A 6 44.045 45.370 25.072 1.00 20.57 C ATOM 39 OG SER A 6 43.461 45.959 26.202 1.00 51.61 O ATOM 0 H SER A 6 42.169 46.453 23.817 1.00 24.33 H new ATOM 0 HA SER A 6 43.331 44.136 23.480 1.00 9.70 H new ATOM 0 HB2 SER A 6 44.695 44.704 25.344 1.00 20.57 H new ATOM 0 HB3 SER A 6 44.523 46.040 24.559 1.00 20.57 H new ATOM 0 HG SER A 6 42.695 46.242 26.006 1.00 51.61 H new ATOM 40 N GLN A 7 40.927 44.329 25.583 1.00 15.03 N ATOM 41 CA GLN A 7 39.982 43.395 26.403 1.00 14.90 C ATOM 42 C GLN A 7 39.283 42.303 25.488 1.00 18.19 C ATOM 43 O GLN A 7 39.078 41.119 25.937 1.00 16.00 O ATOM 44 CB GLN A 7 38.895 44.057 27.138 1.00 14.55 C ATOM 45 CG GLN A 7 39.484 44.872 28.359 1.00 21.44 C ATOM 46 CD GLN A 7 38.425 45.629 28.952 1.00 29.87 C ATOM 47 OE1 GLN A 7 38.002 46.516 28.249 1.00 34.80 O ATOM 48 NE2 GLN A 7 38.485 45.684 30.279 1.00 34.60 N ATOM 0 H GLN A 7 40.699 45.155 25.515 1.00 15.03 H new ATOM 0 HA GLN A 7 40.597 43.009 27.047 1.00 14.90 H new ATOM 0 HB2 GLN A 7 38.410 44.653 26.546 1.00 14.55 H new ATOM 0 HB3 GLN A 7 38.261 43.396 27.457 1.00 14.55 H new ATOM 0 HG2 GLN A 7 39.873 44.268 29.011 1.00 21.44 H new ATOM 0 HG3 GLN A 7 40.194 45.462 28.060 1.00 21.44 H new ATOM 0 HE21 GLN A 7 38.798 45.017 30.723 1.00 34.60 H new ATOM 0 HE22 GLN A 7 38.211 46.386 30.693 1.00 34.60 H new ATOM 49 N ALA A 8 38.869 42.737 24.318 1.00 23.02 N ATOM 50 CA ALA A 8 38.008 41.780 23.434 1.00 27.32 C ATOM 51 C ALA A 8 38.842 40.711 22.931 1.00 29.14 C ATOM 52 O ALA A 8 38.297 39.519 22.736 1.00 19.01 O ATOM 53 CB ALA A 8 37.402 42.473 22.213 1.00 16.09 C ATOM 0 H ALA A 8 39.030 43.514 23.986 1.00 23.02 H new ATOM 0 HA ALA A 8 37.291 41.460 24.003 1.00 27.32 H new ATOM 0 HB1 ALA A 8 36.880 41.833 21.703 1.00 16.09 H new ATOM 0 HB2 ALA A 8 36.828 43.199 22.504 1.00 16.09 H new ATOM 0 HB3 ALA A 8 38.113 42.827 21.656 1.00 16.09 H new ATOM 54 N ALA A 9 40.163 41.073 22.819 1.00 26.28 N ATOM 55 CA ALA A 9 41.024 40.121 22.330 1.00 11.72 C ATOM 56 C ALA A 9 41.130 39.085 23.425 1.00 16.90 C ATOM 57 O ALA A 9 41.411 37.945 23.134 1.00 22.18 O ATOM 58 CB ALA A 9 42.479 40.813 22.048 1.00 19.76 C ATOM 0 H ALA A 9 40.504 41.835 23.024 1.00 26.28 H new ATOM 0 HA ALA A 9 40.719 39.727 21.498 1.00 11.72 H new ATOM 0 HB1 ALA A 9 43.093 40.146 21.702 1.00 19.76 H new ATOM 0 HB2 ALA A 9 42.378 41.527 21.399 1.00 19.76 H new ATOM 0 HB3 ALA A 9 42.830 41.177 22.876 1.00 19.76 H new ATOM 59 N LEU A 10 40.998 39.501 24.650 1.00 20.77 N ATOM 60 CA LEU A 10 41.101 38.580 25.770 1.00 15.88 C ATOM 61 C LEU A 10 39.801 37.579 25.880 1.00 17.99 C ATOM 62 O LEU A 10 39.891 36.375 26.169 1.00 9.74 O ATOM 63 CB LEU A 10 41.304 39.339 27.112 1.00 21.19 C ATOM 64 CG LEU A 10 42.763 40.093 27.294 1.00 24.59 C ATOM 65 CD1 LEU A 10 42.922 40.826 28.658 1.00 25.18 C ATOM 66 CD2 LEU A 10 43.774 39.094 27.180 1.00 17.33 C ATOM 0 H LEU A 10 40.847 40.319 24.870 1.00 20.77 H new ATOM 0 HA LEU A 10 41.883 38.031 25.599 1.00 15.88 H new ATOM 0 HB2 LEU A 10 40.602 40.003 27.199 1.00 21.19 H new ATOM 0 HB3 LEU A 10 41.190 38.709 27.841 1.00 21.19 H new ATOM 0 HG LEU A 10 42.835 40.777 26.610 1.00 24.59 H new ATOM 0 HD11 LEU A 10 43.796 41.245 28.700 1.00 25.18 H new ATOM 0 HD12 LEU A 10 42.234 41.504 28.743 1.00 25.18 H new ATOM 0 HD13 LEU A 10 42.836 40.186 29.382 1.00 25.18 H new ATOM 0 HD21 LEU A 10 44.647 39.504 27.282 1.00 17.33 H new ATOM 0 HD22 LEU A 10 43.648 38.425 27.871 1.00 17.33 H new ATOM 0 HD23 LEU A 10 43.716 38.672 26.309 1.00 17.33 H new ATOM 67 N VAL A 11 38.647 38.050 25.643 1.00 20.42 N ATOM 68 CA VAL A 11 37.399 37.074 25.653 1.00 12.01 C ATOM 69 C VAL A 11 37.452 36.059 24.503 1.00 22.85 C ATOM 70 O VAL A 11 37.111 34.813 24.676 1.00 13.25 O ATOM 71 CB VAL A 11 36.145 37.782 25.583 1.00 18.55 C ATOM 72 CG1 VAL A 11 34.807 36.784 25.273 1.00 10.68 C ATOM 73 CG2 VAL A 11 36.034 38.616 26.862 1.00 7.46 C ATOM 0 H VAL A 11 38.473 38.875 25.472 1.00 20.42 H new ATOM 0 HA VAL A 11 37.449 36.604 26.500 1.00 12.01 H new ATOM 0 HB VAL A 11 36.135 38.370 24.811 1.00 18.55 H new ATOM 0 HG11 VAL A 11 34.002 37.323 25.239 1.00 10.68 H new ATOM 0 HG12 VAL A 11 34.929 36.333 24.423 1.00 10.68 H new ATOM 0 HG13 VAL A 11 34.725 36.124 25.979 1.00 10.68 H new ATOM 0 HG21 VAL A 11 35.200 39.111 26.855 1.00 7.46 H new ATOM 0 HG22 VAL A 11 36.055 38.029 27.634 1.00 7.46 H new ATOM 0 HG23 VAL A 11 36.777 39.237 26.909 1.00 7.46 H new ATOM 74 N LYS A 12 37.938 36.540 23.353 1.00 25.21 N ATOM 75 CA LYS A 12 37.883 35.658 22.188 1.00 21.60 C ATOM 76 C LYS A 12 38.763 34.557 22.361 1.00 14.36 C ATOM 77 O LYS A 12 38.397 33.340 22.056 1.00 11.95 O ATOM 78 CB LYS A 12 38.286 36.485 20.893 1.00 22.35 C ATOM 79 CG LYS A 12 38.042 35.561 19.666 1.00 26.69 C ATOM 80 CD LYS A 12 38.375 36.333 18.363 1.00 38.21 C ATOM 81 CE LYS A 12 38.358 35.300 17.221 1.00 41.89 C ATOM 82 NZ LYS A 12 36.985 34.554 17.043 0.00 0.00 N ATOM 0 H LYS A 12 38.281 37.319 23.231 1.00 25.21 H new ATOM 0 HA LYS A 12 36.982 35.313 22.086 1.00 21.60 H new ATOM 0 HB2 LYS A 12 37.755 37.294 20.824 1.00 22.35 H new ATOM 0 HB3 LYS A 12 39.216 36.759 20.937 1.00 22.35 H new ATOM 0 HG2 LYS A 12 38.594 34.766 19.733 1.00 26.69 H new ATOM 0 HG3 LYS A 12 37.119 35.264 19.651 1.00 26.69 H new ATOM 0 HD2 LYS A 12 37.725 37.035 18.203 1.00 38.21 H new ATOM 0 HD3 LYS A 12 39.243 36.760 18.428 1.00 38.21 H new ATOM 0 HE2 LYS A 12 38.580 35.748 16.390 1.00 41.89 H new ATOM 0 HE3 LYS A 12 39.053 34.643 17.383 1.00 41.89 H new ATOM 0 HZ1 LYS A 12 37.046 33.975 16.370 0.00 0.00 H new ATOM 0 HZ2 LYS A 12 36.785 34.117 17.792 0.00 0.00 H new ATOM 0 HZ3 LYS A 12 36.345 35.147 16.867 0.00 0.00 H new ATOM 83 N SER A 13 39.933 34.986 22.807 1.00 12.47 N ATOM 84 CA SER A 13 40.901 34.066 23.087 1.00 12.44 C ATOM 85 C SER A 13 40.432 32.982 24.151 1.00 23.48 C ATOM 86 O SER A 13 40.634 31.771 24.046 1.00 11.56 O ATOM 87 CB SER A 13 42.176 34.949 23.669 1.00 6.51 C ATOM 88 OG SER A 13 43.159 34.109 23.808 1.00 46.38 O ATOM 0 H SER A 13 40.146 35.808 22.940 1.00 12.47 H new ATOM 0 HA SER A 13 41.129 33.555 22.294 1.00 12.44 H new ATOM 0 HB2 SER A 13 42.413 35.663 23.056 1.00 6.51 H new ATOM 0 HB3 SER A 13 41.952 35.365 24.516 1.00 6.51 H new ATOM 0 HG SER A 13 43.834 34.513 24.102 1.00 46.38 H new ATOM 89 N SER A 14 39.882 33.406 25.246 1.00 26.10 N ATOM 90 CA SER A 14 39.334 32.495 26.343 1.00 12.97 C ATOM 91 C SER A 14 38.047 31.606 25.886 1.00 17.32 C ATOM 92 O SER A 14 37.866 30.409 26.250 1.00 13.06 O ATOM 93 CB SER A 14 39.014 33.277 27.627 1.00 7.71 C ATOM 94 OG SER A 14 38.062 34.162 27.322 1.00 20.15 O ATOM 0 H SER A 14 39.791 34.242 25.424 1.00 26.10 H new ATOM 0 HA SER A 14 40.051 31.868 26.526 1.00 12.97 H new ATOM 0 HB2 SER A 14 38.713 32.677 28.327 1.00 7.71 H new ATOM 0 HB3 SER A 14 39.806 33.727 27.960 1.00 7.71 H new ATOM 0 HG SER A 14 37.984 34.213 26.487 1.00 20.15 H new ATOM 95 N TRP A 15 37.272 32.096 25.016 1.00 16.04 N ATOM 96 CA TRP A 15 36.157 31.216 24.414 1.00 19.91 C ATOM 97 C TRP A 15 36.597 30.127 23.496 1.00 22.89 C ATOM 98 O TRP A 15 35.984 28.925 23.441 1.00 10.88 O ATOM 99 CB TRP A 15 35.211 32.090 23.701 1.00 16.46 C ATOM 100 CG TRP A 15 33.952 31.157 23.187 1.00 40.72 C ATOM 101 CD1 TRP A 15 32.834 30.438 23.825 1.00 28.46 C ATOM 102 CD2 TRP A 15 33.803 30.828 21.848 1.00 27.07 C ATOM 103 NE1 TRP A 15 31.977 29.692 22.871 1.00 20.43 N ATOM 104 CE2 TRP A 15 32.549 29.946 21.718 1.00 40.35 C ATOM 105 CE3 TRP A 15 34.644 31.269 20.785 1.00 22.05 C ATOM 106 CZ2 TRP A 15 32.088 29.482 20.477 1.00 40.20 C ATOM 107 CZ3 TRP A 15 34.167 30.823 19.542 1.00 47.89 C ATOM 108 CH2 TRP A 15 32.922 29.952 19.393 1.00 58.09 C ATOM 0 H TRP A 15 37.309 32.902 24.718 1.00 16.04 H new ATOM 0 HA TRP A 15 35.758 30.755 25.169 1.00 19.91 H new ATOM 0 HB2 TRP A 15 34.894 32.796 24.285 1.00 16.46 H new ATOM 0 HB3 TRP A 15 35.646 32.519 22.948 1.00 16.46 H new ATOM 0 HD1 TRP A 15 32.680 30.451 24.742 1.00 28.46 H new ATOM 0 HE1 TRP A 15 31.281 29.214 23.033 1.00 20.43 H new ATOM 0 HE3 TRP A 15 35.409 31.785 20.900 1.00 22.05 H new ATOM 0 HZ2 TRP A 15 31.340 28.940 20.365 1.00 40.20 H new ATOM 0 HZ3 TRP A 15 34.631 31.069 18.774 1.00 47.89 H new ATOM 0 HH2 TRP A 15 32.679 29.702 18.531 1.00 58.09 H new ATOM 109 N GLU A 16 37.654 30.518 22.753 1.00 24.36 N ATOM 110 CA GLU A 16 38.109 29.475 21.879 1.00 25.48 C ATOM 111 C GLU A 16 38.621 28.377 22.726 1.00 21.83 C ATOM 112 O GLU A 16 38.213 27.161 22.469 1.00 17.20 O ATOM 113 CB GLU A 16 39.192 30.127 20.840 1.00 23.86 C ATOM 114 CG GLU A 16 38.604 31.095 19.848 1.00 35.76 C ATOM 115 CD GLU A 16 39.707 31.832 18.917 1.00 45.08 C ATOM 116 OE1 GLU A 16 40.887 32.228 19.356 1.00 46.26 O ATOM 117 OE2 GLU A 16 39.328 32.537 18.001 1.00 48.91 O ATOM 0 H GLU A 16 38.060 31.276 22.746 1.00 24.36 H new ATOM 0 HA GLU A 16 37.411 29.089 21.327 1.00 25.48 H new ATOM 0 HB2 GLU A 16 39.879 30.583 21.351 1.00 23.86 H new ATOM 0 HB3 GLU A 16 39.629 29.410 20.354 1.00 23.86 H new ATOM 0 HG2 GLU A 16 37.978 30.621 19.279 1.00 35.76 H new ATOM 0 HG3 GLU A 16 38.097 31.768 20.328 1.00 35.76 H new ATOM 118 N GLU A 17 39.328 28.763 23.842 1.00 9.73 N ATOM 119 CA GLU A 17 39.701 27.765 24.783 1.00 8.85 C ATOM 120 C GLU A 17 38.473 26.888 25.403 1.00 21.57 C ATOM 121 O GLU A 17 38.469 25.639 25.466 1.00 16.70 O ATOM 122 CB GLU A 17 40.589 28.355 25.945 1.00 6.94 C ATOM 123 CG GLU A 17 42.025 28.926 25.526 1.00 33.75 C ATOM 124 CD GLU A 17 42.819 29.224 26.833 1.00 44.75 C ATOM 125 OE1 GLU A 17 43.247 28.278 27.438 1.00 41.89 O ATOM 126 OE2 GLU A 17 42.577 30.189 27.541 1.00 46.10 O ATOM 0 H GLU A 17 39.571 29.567 24.029 1.00 9.73 H new ATOM 0 HA GLU A 17 40.225 27.141 24.256 1.00 8.85 H new ATOM 0 HB2 GLU A 17 40.092 29.069 26.375 1.00 6.94 H new ATOM 0 HB3 GLU A 17 40.720 27.661 26.609 1.00 6.94 H new ATOM 0 HG2 GLU A 17 42.501 28.282 24.979 1.00 33.75 H new ATOM 0 HG3 GLU A 17 41.929 29.732 24.995 1.00 33.75 H new ATOM 127 N PHE A 18 37.421 27.465 25.740 1.00 19.22 N ATOM 128 CA PHE A 18 36.154 26.635 26.187 1.00 9.05 C ATOM 129 C PHE A 18 35.613 25.585 25.125 1.00 18.47 C ATOM 130 O PHE A 18 35.159 24.382 25.414 1.00 14.07 O ATOM 131 CB PHE A 18 35.093 27.545 26.488 1.00 6.15 C ATOM 132 CG PHE A 18 33.685 26.762 26.775 1.00 10.09 C ATOM 133 CD1 PHE A 18 33.377 26.321 28.051 1.00 15.27 C ATOM 134 CD2 PHE A 18 32.708 26.583 25.802 1.00 17.86 C ATOM 135 CE1 PHE A 18 32.097 25.671 28.371 1.00 14.76 C ATOM 136 CE2 PHE A 18 31.410 25.922 26.115 1.00 18.00 C ATOM 137 CZ PHE A 18 31.118 25.474 27.409 1.00 6.38 C ATOM 0 H PHE A 18 37.317 28.319 25.752 1.00 19.22 H new ATOM 0 HA PHE A 18 36.444 26.117 26.954 1.00 9.05 H new ATOM 0 HB2 PHE A 18 35.332 28.076 27.264 1.00 6.15 H new ATOM 0 HB3 PHE A 18 34.976 28.161 25.748 1.00 6.15 H new ATOM 0 HD1 PHE A 18 34.002 26.440 28.730 1.00 15.27 H new ATOM 0 HD2 PHE A 18 32.868 26.883 24.936 1.00 17.86 H new ATOM 0 HE1 PHE A 18 31.940 25.384 29.242 1.00 14.76 H new ATOM 0 HE2 PHE A 18 30.782 25.805 25.439 1.00 18.00 H new ATOM 0 HZ PHE A 18 30.308 25.065 27.613 1.00 6.38 H new ATOM 138 N ASN A 19 35.514 26.008 23.937 1.00 24.99 N ATOM 139 CA ASN A 19 34.775 25.153 22.918 1.00 13.84 C ATOM 140 C ASN A 19 35.611 24.059 22.554 1.00 21.70 C ATOM 141 O ASN A 19 35.147 23.105 21.811 1.00 25.29 O ATOM 142 CB ASN A 19 34.707 26.037 21.656 1.00 22.61 C ATOM 143 CG ASN A 19 33.356 25.588 20.982 1.00 33.32 C ATOM 144 OD1 ASN A 19 32.314 25.731 21.631 1.00 38.64 O ATOM 145 ND2 ASN A 19 33.432 25.704 19.680 1.00 43.12 N ATOM 0 H ASN A 19 35.832 26.751 23.643 1.00 24.99 H new ATOM 0 HA ASN A 19 33.918 24.847 23.255 1.00 13.84 H new ATOM 0 HB2 ASN A 19 34.701 26.981 21.879 1.00 22.61 H new ATOM 0 HB3 ASN A 19 35.467 25.888 21.072 1.00 22.61 H new ATOM 0 HD21 ASN A 19 32.728 25.891 19.223 1.00 43.12 H new ATOM 0 HD22 ASN A 19 34.186 25.593 19.282 1.00 43.12 H new ATOM 146 N ALA A 20 36.858 24.222 22.992 1.00 25.51 N ATOM 147 CA ALA A 20 37.759 23.284 22.637 1.00 12.30 C ATOM 148 C ALA A 20 37.366 22.011 23.440 1.00 26.13 C ATOM 149 O ALA A 20 37.925 21.011 23.205 1.00 25.09 O ATOM 150 CB ALA A 20 39.263 23.768 23.016 1.00 24.30 C ATOM 0 H ALA A 20 37.146 24.868 23.480 1.00 25.51 H new ATOM 0 HA ALA A 20 37.755 23.119 21.681 1.00 12.30 H new ATOM 0 HB1 ALA A 20 39.899 23.084 22.755 1.00 24.30 H new ATOM 0 HB2 ALA A 20 39.466 24.593 22.547 1.00 24.30 H new ATOM 0 HB3 ALA A 20 39.324 23.917 23.973 1.00 24.30 H new ATOM 151 N ASN A 21 36.470 22.031 24.376 1.00 11.76 N ATOM 152 CA ASN A 21 36.071 20.728 25.083 1.00 13.21 C ATOM 153 C ASN A 21 34.684 20.619 25.712 1.00 13.83 C ATOM 154 O ASN A 21 34.588 20.755 26.954 1.00 15.67 O ATOM 155 CB ASN A 21 37.044 20.587 26.213 1.00 13.09 C ATOM 156 CG ASN A 21 36.962 19.102 26.549 1.00 10.31 C ATOM 157 OD1 ASN A 21 35.788 18.352 26.487 1.00 30.09 O flip ATOM 158 ND2 ASN A 21 37.816 18.806 27.357 1.00 13.46 N flip ATOM 0 H ASN A 21 36.061 22.736 24.649 1.00 11.76 H new ATOM 0 HA ASN A 21 36.070 20.053 24.386 1.00 13.21 H new ATOM 0 HB2 ASN A 21 37.941 20.847 25.950 1.00 13.09 H new ATOM 0 HB3 ASN A 21 36.798 21.141 26.970 1.00 13.09 H new ATOM 0 HD21 ASN A 21 38.543 19.264 27.402 1.00 13.46 H new ATOM 0 HD22 ASN A 21 37.695 18.139 27.886 1.00 13.46 H new ATOM 159 N ILE A 22 33.737 20.647 24.820 1.00 8.12 N ATOM 160 CA ILE A 22 32.361 20.706 25.162 1.00 7.31 C ATOM 161 C ILE A 22 31.858 19.633 26.178 1.00 8.53 C ATOM 162 O ILE A 22 31.214 19.949 27.162 1.00 17.05 O ATOM 163 CB ILE A 22 31.455 20.676 23.897 1.00 8.64 C ATOM 164 CG1 ILE A 22 31.684 22.027 23.152 1.00 18.76 C ATOM 165 CG2 ILE A 22 29.938 20.132 24.106 1.00 12.62 C ATOM 166 CD1 ILE A 22 31.262 23.228 23.943 1.00 21.40 C ATOM 0 H ILE A 22 33.885 20.632 23.973 1.00 8.12 H new ATOM 0 HA ILE A 22 32.287 21.558 25.621 1.00 7.31 H new ATOM 0 HB ILE A 22 31.720 19.962 23.296 1.00 8.64 H new ATOM 0 HG12 ILE A 22 32.625 22.110 22.930 1.00 18.76 H new ATOM 0 HG13 ILE A 22 31.195 22.013 22.314 1.00 18.76 H new ATOM 0 HG21 ILE A 22 29.466 20.156 23.259 1.00 12.62 H new ATOM 0 HG22 ILE A 22 29.964 19.220 24.436 1.00 12.62 H new ATOM 0 HG23 ILE A 22 29.478 20.695 24.748 1.00 12.62 H new ATOM 0 HD11 ILE A 22 31.430 24.031 23.426 1.00 21.40 H new ATOM 0 HD12 ILE A 22 30.315 23.166 24.145 1.00 21.40 H new ATOM 0 HD13 ILE A 22 31.767 23.265 24.770 1.00 21.40 H new ATOM 167 N PRO A 23 32.153 18.412 26.079 1.00 13.77 N ATOM 168 CA PRO A 23 31.428 17.379 26.988 1.00 12.04 C ATOM 169 C PRO A 23 31.982 17.516 28.408 1.00 22.57 C ATOM 170 O PRO A 23 31.146 17.455 29.355 1.00 20.69 O ATOM 171 CB PRO A 23 31.607 15.957 26.444 1.00 19.15 C ATOM 172 CG PRO A 23 32.219 16.180 25.040 1.00 18.25 C ATOM 173 CD PRO A 23 32.687 17.731 24.914 1.00 16.92 C ATOM 0 HA PRO A 23 30.474 17.555 27.000 1.00 12.04 H new ATOM 0 HB2 PRO A 23 32.193 15.430 27.009 1.00 19.15 H new ATOM 0 HB3 PRO A 23 30.761 15.485 26.394 1.00 19.15 H new ATOM 0 HG2 PRO A 23 32.976 15.589 24.906 1.00 18.25 H new ATOM 0 HG3 PRO A 23 31.568 15.968 24.352 1.00 18.25 H new ATOM 0 HD2 PRO A 23 33.654 17.800 24.886 1.00 16.92 H new ATOM 0 HD3 PRO A 23 32.350 18.129 24.096 1.00 16.92 H new ATOM 174 N LYS A 24 33.299 17.987 28.542 1.00 17.91 N ATOM 175 CA LYS A 24 33.806 18.406 29.866 1.00 16.30 C ATOM 176 C LYS A 24 33.273 19.662 30.420 1.00 23.11 C ATOM 177 O LYS A 24 32.699 19.586 31.548 1.00 13.01 O ATOM 178 CB LYS A 24 35.362 18.615 29.841 1.00 13.54 C ATOM 179 CG LYS A 24 35.908 18.889 31.278 1.00 30.59 C ATOM 180 CD LYS A 24 37.462 18.964 31.407 1.00 34.86 C ATOM 181 CE LYS A 24 38.281 20.077 30.556 0.00 0.00 C ATOM 182 NZ LYS A 24 39.731 20.167 30.842 0.00 0.00 N ATOM 0 H LYS A 24 33.862 18.057 27.896 1.00 17.91 H new ATOM 0 HA LYS A 24 33.507 17.672 30.425 1.00 16.30 H new ATOM 0 HB2 LYS A 24 35.792 17.828 29.472 1.00 13.54 H new ATOM 0 HB3 LYS A 24 35.583 19.359 29.259 1.00 13.54 H new ATOM 0 HG2 LYS A 24 35.533 19.725 31.595 1.00 30.59 H new ATOM 0 HG3 LYS A 24 35.584 18.191 31.868 1.00 30.59 H new ATOM 0 HD2 LYS A 24 37.670 19.104 32.344 1.00 34.86 H new ATOM 0 HD3 LYS A 24 37.816 18.094 31.165 1.00 34.86 H new ATOM 0 HE2 LYS A 24 38.166 19.887 29.612 0.00 0.00 H new ATOM 0 HE3 LYS A 24 37.881 20.945 30.722 0.00 0.00 H new ATOM 0 HZ1 LYS A 24 40.096 20.799 30.333 0.00 0.00 H new ATOM 0 HZ2 LYS A 24 39.853 20.371 31.700 0.00 0.00 H new ATOM 0 HZ3 LYS A 24 40.118 19.385 30.666 0.00 0.00 H new ATOM 183 N HIS A 25 33.478 20.801 29.662 1.00 10.90 N ATOM 184 CA HIS A 25 33.216 22.069 30.227 1.00 6.11 C ATOM 185 C HIS A 25 31.717 22.109 30.524 1.00 11.60 C ATOM 186 O HIS A 25 31.373 22.835 31.459 1.00 14.72 O ATOM 187 CB HIS A 25 33.788 23.211 29.292 1.00 4.83 C ATOM 188 CG HIS A 25 35.298 23.230 29.144 1.00 13.36 C ATOM 189 ND1 HIS A 25 36.110 23.556 28.092 1.00 24.53 N flip ATOM 190 CD2 HIS A 25 36.029 22.848 30.184 1.00 17.00 C flip ATOM 191 CE1 HIS A 25 37.435 23.373 28.460 1.00 13.94 C flip ATOM 192 NE2 HIS A 25 37.391 22.925 29.770 1.00 17.87 N flip ATOM 0 H HIS A 25 33.760 20.810 28.850 1.00 10.90 H new ATOM 0 HA HIS A 25 33.674 22.227 31.067 1.00 6.11 H new ATOM 0 HB2 HIS A 25 33.392 23.116 28.411 1.00 4.83 H new ATOM 0 HB3 HIS A 25 33.501 24.069 29.641 1.00 4.83 H new ATOM 0 HD1 HIS A 25 35.841 23.831 27.323 1.00 24.53 H new ATOM 0 HD2 HIS A 25 35.715 22.583 31.018 1.00 17.00 H new ATOM 0 HE1 HIS A 25 38.191 23.520 27.939 1.00 13.94 H new ATOM 193 N THR A 26 30.832 21.437 29.671 1.00 12.35 N ATOM 194 CA THR A 26 29.367 21.458 29.817 1.00 17.56 C ATOM 195 C THR A 26 28.770 20.593 31.002 1.00 4.15 C ATOM 196 O THR A 26 27.827 20.874 31.717 1.00 7.92 O ATOM 197 CB THR A 26 28.582 20.997 28.513 1.00 30.07 C ATOM 198 OG1 THR A 26 28.717 19.610 28.181 1.00 13.94 O ATOM 199 CG2 THR A 26 28.920 21.982 27.316 1.00 13.02 C ATOM 0 H THR A 26 31.099 20.966 29.003 1.00 12.35 H new ATOM 0 HA THR A 26 29.229 22.399 30.006 1.00 17.56 H new ATOM 0 HB THR A 26 27.635 21.065 28.710 1.00 30.07 H new ATOM 0 HG1 THR A 26 29.467 19.478 27.828 1.00 13.94 H new ATOM 0 HG21 THR A 26 28.441 21.701 26.520 1.00 13.02 H new ATOM 0 HG22 THR A 26 28.652 22.884 27.553 1.00 13.02 H new ATOM 0 HG23 THR A 26 29.874 21.964 27.142 1.00 13.02 H new ATOM 200 N HIS A 27 29.358 19.548 31.241 1.00 10.42 N ATOM 201 CA HIS A 27 28.892 18.684 32.383 1.00 11.66 C ATOM 202 C HIS A 27 29.368 19.404 33.680 1.00 12.04 C ATOM 203 O HIS A 27 28.586 19.383 34.672 1.00 13.49 O ATOM 204 CB HIS A 27 29.544 17.410 32.214 1.00 7.98 C ATOM 205 CG HIS A 27 29.574 16.582 33.501 1.00 12.97 C ATOM 206 ND1 HIS A 27 30.597 16.542 34.367 1.00 18.03 N flip ATOM 207 CD2 HIS A 27 28.402 15.712 33.930 1.00 14.02 C flip ATOM 208 CE1 HIS A 27 30.122 15.651 35.390 1.00 13.85 C flip ATOM 209 NE2 HIS A 27 28.745 15.138 35.129 1.00 22.28 N flip ATOM 0 H HIS A 27 30.036 19.250 30.803 1.00 10.42 H new ATOM 0 HA HIS A 27 27.932 18.548 32.422 1.00 11.66 H new ATOM 0 HB2 HIS A 27 29.087 16.907 31.522 1.00 7.98 H new ATOM 0 HB3 HIS A 27 30.453 17.555 31.907 1.00 7.98 H new ATOM 0 HD2 HIS A 27 27.604 15.592 33.468 1.00 14.02 H new ATOM 0 HE1 HIS A 27 30.622 15.418 36.139 1.00 13.85 H new ATOM 0 HE2 HIS A 27 28.276 14.607 35.616 1.00 22.28 H new ATOM 210 N ARG A 28 30.601 20.122 33.620 1.00 17.87 N ATOM 211 CA ARG A 28 31.170 20.991 34.732 1.00 11.52 C ATOM 212 C ARG A 28 30.336 22.118 35.029 1.00 13.07 C ATOM 213 O ARG A 28 30.116 22.342 36.231 1.00 20.36 O ATOM 214 CB ARG A 28 32.680 21.550 34.473 1.00 16.99 C ATOM 215 CG ARG A 28 33.310 22.363 35.685 1.00 30.34 C ATOM 216 CD ARG A 28 33.415 21.458 36.912 1.00 30.30 C ATOM 217 NE ARG A 28 33.944 22.345 38.013 1.00 41.76 N ATOM 218 CZ ARG A 28 33.765 22.063 39.301 1.00 44.84 C ATOM 219 NH1 ARG A 28 33.076 20.899 39.657 1.00 43.51 N ATOM 220 NH2 ARG A 28 34.314 22.924 40.236 1.00 40.94 N ATOM 0 H ARG A 28 31.107 20.101 32.925 1.00 17.87 H new ATOM 0 HA ARG A 28 31.203 20.377 35.482 1.00 11.52 H new ATOM 0 HB2 ARG A 28 33.258 20.798 34.269 1.00 16.99 H new ATOM 0 HB3 ARG A 28 32.669 22.121 33.689 1.00 16.99 H new ATOM 0 HG2 ARG A 28 34.188 22.696 35.441 1.00 30.34 H new ATOM 0 HG3 ARG A 28 32.760 23.136 35.888 1.00 30.34 H new ATOM 0 HD2 ARG A 28 32.551 21.085 37.147 1.00 30.30 H new ATOM 0 HD3 ARG A 28 34.011 20.711 36.747 1.00 30.30 H new ATOM 0 HE ARG A 28 34.376 23.057 37.800 1.00 41.76 H new ATOM 0 HH11 ARG A 28 32.773 20.375 39.046 1.00 43.51 H new ATOM 0 HH12 ARG A 28 32.955 20.708 40.487 1.00 43.51 H new ATOM 0 HH21 ARG A 28 34.755 23.616 39.977 1.00 40.94 H new ATOM 0 HH22 ARG A 28 34.214 22.767 41.076 1.00 40.94 H new ATOM 221 N PHE A 29 29.967 22.822 33.967 1.00 7.46 N ATOM 222 CA PHE A 29 29.096 23.858 34.071 1.00 13.59 C ATOM 223 C PHE A 29 27.857 23.346 34.941 1.00 15.42 C ATOM 224 O PHE A 29 27.517 24.057 35.877 1.00 14.99 O ATOM 225 CB PHE A 29 28.685 24.287 32.635 1.00 8.21 C ATOM 226 CG PHE A 29 27.558 25.158 32.649 1.00 12.36 C ATOM 227 CD1 PHE A 29 27.796 26.475 33.168 1.00 6.04 C ATOM 228 CD2 PHE A 29 26.292 24.595 32.174 1.00 3.79 C ATOM 229 CE1 PHE A 29 26.781 27.242 33.208 1.00 15.50 C ATOM 230 CE2 PHE A 29 25.248 25.380 32.235 1.00 18.40 C ATOM 231 CZ PHE A 29 25.500 26.702 32.743 1.00 12.42 C ATOM 0 H PHE A 29 30.248 22.671 33.168 1.00 7.46 H new ATOM 0 HA PHE A 29 29.479 24.634 34.510 1.00 13.59 H new ATOM 0 HB2 PHE A 29 29.432 24.730 32.203 1.00 8.21 H new ATOM 0 HB3 PHE A 29 28.479 23.499 32.108 1.00 8.21 H new ATOM 0 HD1 PHE A 29 28.636 26.750 33.456 1.00 6.04 H new ATOM 0 HD2 PHE A 29 26.234 23.726 31.847 1.00 3.79 H new ATOM 0 HE1 PHE A 29 26.850 28.115 33.521 1.00 15.50 H new ATOM 0 HE2 PHE A 29 24.401 25.103 31.968 1.00 18.40 H new ATOM 0 HZ PHE A 29 24.770 27.277 32.781 1.00 12.42 H new ATOM 232 N PHE A 30 27.144 22.174 34.606 1.00 9.40 N ATOM 233 CA PHE A 30 25.873 21.639 35.319 1.00 10.53 C ATOM 234 C PHE A 30 26.038 21.173 36.760 1.00 8.89 C ATOM 235 O PHE A 30 25.201 21.431 37.623 1.00 13.80 O ATOM 236 CB PHE A 30 24.867 20.574 34.520 1.00 7.72 C ATOM 237 CG PHE A 30 24.009 21.236 33.505 1.00 21.64 C ATOM 238 CD1 PHE A 30 24.297 21.195 32.151 1.00 10.83 C ATOM 239 CD2 PHE A 30 22.940 21.855 33.962 1.00 16.23 C ATOM 240 CE1 PHE A 30 23.492 21.749 31.238 1.00 12.84 C ATOM 241 CE2 PHE A 30 22.139 22.415 33.057 1.00 14.78 C ATOM 242 CZ PHE A 30 22.414 22.357 31.702 1.00 22.59 C ATOM 0 H PHE A 30 27.389 21.668 33.955 1.00 9.40 H new ATOM 0 HA PHE A 30 25.412 22.492 35.308 1.00 10.53 H new ATOM 0 HB2 PHE A 30 25.404 19.893 34.087 1.00 7.72 H new ATOM 0 HB3 PHE A 30 24.303 20.122 35.167 1.00 7.72 H new ATOM 0 HD1 PHE A 30 25.074 20.769 31.868 1.00 10.83 H new ATOM 0 HD2 PHE A 30 22.754 21.899 34.872 1.00 16.23 H new ATOM 0 HE1 PHE A 30 23.680 21.709 30.328 1.00 12.84 H new ATOM 0 HE2 PHE A 30 21.373 22.858 33.344 1.00 14.78 H new ATOM 0 HZ PHE A 30 21.825 22.756 31.103 1.00 22.59 H new ATOM 243 N ILE A 31 27.159 20.627 37.023 1.00 5.94 N ATOM 244 CA ILE A 31 27.581 20.381 38.421 1.00 5.93 C ATOM 245 C ILE A 31 27.787 21.697 39.223 1.00 5.47 C ATOM 246 O ILE A 31 27.265 21.698 40.352 1.00 9.63 O ATOM 247 CB ILE A 31 28.958 19.870 38.416 1.00 9.94 C ATOM 248 CG1 ILE A 31 28.867 18.477 37.764 1.00 18.38 C ATOM 249 CG2 ILE A 31 29.631 19.775 39.777 1.00 5.32 C ATOM 250 CD1 ILE A 31 27.822 17.476 38.463 1.00 33.00 C ATOM 0 H ILE A 31 27.725 20.374 36.427 1.00 5.94 H new ATOM 0 HA ILE A 31 26.898 19.803 38.796 1.00 5.93 H new ATOM 0 HB ILE A 31 29.520 20.497 37.935 1.00 9.94 H new ATOM 0 HG12 ILE A 31 28.619 18.585 36.832 1.00 18.38 H new ATOM 0 HG13 ILE A 31 29.747 18.068 37.778 1.00 18.38 H new ATOM 0 HG21 ILE A 31 30.531 19.429 39.670 1.00 5.32 H new ATOM 0 HG22 ILE A 31 29.670 20.656 40.181 1.00 5.32 H new ATOM 0 HG23 ILE A 31 29.122 19.179 40.349 1.00 5.32 H new ATOM 0 HD11 ILE A 31 27.825 16.626 37.995 1.00 33.00 H new ATOM 0 HD12 ILE A 31 28.077 17.336 39.388 1.00 33.00 H new ATOM 0 HD13 ILE A 31 26.932 17.861 38.428 1.00 33.00 H new ATOM 251 N LEU A 32 28.469 22.804 38.669 1.00 6.59 N ATOM 252 CA LEU A 32 28.666 24.123 39.392 1.00 5.06 C ATOM 253 C LEU A 32 27.341 24.688 39.526 1.00 5.37 C ATOM 254 O LEU A 32 27.134 25.300 40.563 1.00 14.85 O ATOM 255 CB LEU A 32 29.604 25.110 38.533 1.00 13.23 C ATOM 256 CG LEU A 32 31.052 24.796 38.488 1.00 11.85 C ATOM 257 CD1 LEU A 32 31.842 25.705 37.398 1.00 18.80 C ATOM 258 CD2 LEU A 32 31.749 25.093 39.880 1.00 18.14 C ATOM 0 H LEU A 32 28.815 22.792 37.882 1.00 6.59 H new ATOM 0 HA LEU A 32 29.099 23.997 40.251 1.00 5.06 H new ATOM 0 HB2 LEU A 32 29.271 25.125 37.622 1.00 13.23 H new ATOM 0 HB3 LEU A 32 29.501 26.007 38.887 1.00 13.23 H new ATOM 0 HG LEU A 32 31.102 23.856 38.255 1.00 11.85 H new ATOM 0 HD11 LEU A 32 32.783 25.469 37.400 1.00 18.80 H new ATOM 0 HD12 LEU A 32 31.472 25.547 36.515 1.00 18.80 H new ATOM 0 HD13 LEU A 32 31.744 26.643 37.626 1.00 18.80 H new ATOM 0 HD21 LEU A 32 32.693 24.879 39.821 1.00 18.14 H new ATOM 0 HD22 LEU A 32 31.644 26.032 40.101 1.00 18.14 H new ATOM 0 HD23 LEU A 32 31.337 24.550 40.571 1.00 18.14 H new ATOM 259 N VAL A 33 26.402 24.438 38.570 1.00 9.40 N ATOM 260 CA VAL A 33 25.085 24.918 38.726 1.00 15.33 C ATOM 261 C VAL A 33 24.437 24.338 40.034 1.00 18.55 C ATOM 262 O VAL A 33 23.817 25.021 40.789 1.00 16.70 O ATOM 263 CB VAL A 33 24.083 24.605 37.497 1.00 11.96 C ATOM 264 CG1 VAL A 33 22.622 24.896 37.782 1.00 9.66 C ATOM 265 CG2 VAL A 33 24.607 25.355 36.237 1.00 3.02 C ATOM 0 H VAL A 33 26.545 23.994 37.847 1.00 9.40 H new ATOM 0 HA VAL A 33 25.190 25.881 38.767 1.00 15.33 H new ATOM 0 HB VAL A 33 24.091 23.647 37.343 1.00 11.96 H new ATOM 0 HG11 VAL A 33 22.091 24.683 36.999 1.00 9.66 H new ATOM 0 HG12 VAL A 33 22.324 24.356 38.531 1.00 9.66 H new ATOM 0 HG13 VAL A 33 22.515 25.835 37.999 1.00 9.66 H new ATOM 0 HG21 VAL A 33 24.018 25.179 35.487 1.00 3.02 H new ATOM 0 HG22 VAL A 33 24.629 26.309 36.414 1.00 3.02 H new ATOM 0 HG23 VAL A 33 25.501 25.045 36.024 1.00 3.02 H new ATOM 266 N LEU A 34 24.427 23.042 40.142 1.00 19.91 N ATOM 267 CA LEU A 34 23.667 22.149 41.159 1.00 18.11 C ATOM 268 C LEU A 34 24.377 22.293 42.505 1.00 10.89 C ATOM 269 O LEU A 34 23.643 22.244 43.506 1.00 13.54 O ATOM 270 CB LEU A 34 23.557 20.656 40.719 1.00 8.00 C ATOM 271 CG LEU A 34 22.255 20.113 39.949 1.00 14.88 C ATOM 272 CD1 LEU A 34 21.392 21.113 39.321 1.00 9.89 C ATOM 273 CD2 LEU A 34 22.433 18.874 39.094 1.00 16.41 C ATOM 0 H LEU A 34 24.889 22.561 39.599 1.00 19.91 H new ATOM 0 HA LEU A 34 22.746 22.448 41.218 1.00 18.11 H new ATOM 0 HB2 LEU A 34 24.321 20.470 40.151 1.00 8.00 H new ATOM 0 HB3 LEU A 34 23.660 20.116 41.518 1.00 8.00 H new ATOM 0 HG LEU A 34 21.750 19.807 40.719 1.00 14.88 H new ATOM 0 HD11 LEU A 34 20.644 20.670 38.890 1.00 9.89 H new ATOM 0 HD12 LEU A 34 21.060 21.724 39.997 1.00 9.89 H new ATOM 0 HD13 LEU A 34 21.899 21.608 38.659 1.00 9.89 H new ATOM 0 HD21 LEU A 34 21.587 18.641 38.681 1.00 16.41 H new ATOM 0 HD22 LEU A 34 23.092 19.049 38.404 1.00 16.41 H new ATOM 0 HD23 LEU A 34 22.735 18.138 39.649 1.00 16.41 H new ATOM 274 N GLU A 35 25.706 22.683 42.517 1.00 10.41 N ATOM 275 CA GLU A 35 26.382 23.130 43.757 1.00 13.40 C ATOM 276 C GLU A 35 26.009 24.435 44.333 1.00 18.48 C ATOM 277 O GLU A 35 26.085 24.543 45.573 1.00 15.48 O ATOM 278 CB GLU A 35 27.893 23.374 43.508 1.00 23.34 C ATOM 279 CG GLU A 35 28.443 22.103 43.053 1.00 44.35 C ATOM 280 CD GLU A 35 29.984 22.403 43.098 1.00 49.34 C ATOM 281 OE1 GLU A 35 30.565 21.392 43.025 1.00 42.33 O ATOM 282 OE2 GLU A 35 30.600 23.477 43.641 1.00 44.56 O ATOM 0 H GLU A 35 26.209 22.689 41.819 1.00 10.41 H new ATOM 0 HA GLU A 35 26.123 22.407 44.350 1.00 13.40 H new ATOM 0 HB2 GLU A 35 28.027 24.067 42.842 1.00 23.34 H new ATOM 0 HB3 GLU A 35 28.334 23.671 44.319 1.00 23.34 H new ATOM 0 HG2 GLU A 35 28.196 21.368 43.635 1.00 44.35 H new ATOM 0 HG3 GLU A 35 28.141 21.872 42.161 1.00 44.35 H new ATOM 283 N ILE A 36 25.695 25.367 43.488 1.00 12.49 N ATOM 284 CA ILE A 36 25.333 26.695 43.838 1.00 10.45 C ATOM 285 C ILE A 36 23.868 26.513 44.298 1.00 18.97 C ATOM 286 O ILE A 36 23.465 27.179 45.261 1.00 19.31 O ATOM 287 CB ILE A 36 25.620 27.736 42.642 1.00 10.97 C ATOM 288 CG1 ILE A 36 27.178 27.978 42.320 1.00 9.96 C ATOM 289 CG2 ILE A 36 25.088 29.082 42.964 1.00 7.69 C ATOM 290 CD1 ILE A 36 27.568 28.721 40.959 1.00 12.91 C ATOM 0 H ILE A 36 25.687 25.232 42.639 1.00 12.49 H new ATOM 0 HA ILE A 36 25.857 27.109 44.542 1.00 10.45 H new ATOM 0 HB ILE A 36 25.187 27.322 41.879 1.00 10.97 H new ATOM 0 HG12 ILE A 36 27.555 28.488 43.054 1.00 9.96 H new ATOM 0 HG13 ILE A 36 27.617 27.113 42.321 1.00 9.96 H new ATOM 0 HG21 ILE A 36 25.274 29.688 42.230 1.00 7.69 H new ATOM 0 HG22 ILE A 36 24.130 29.027 43.103 1.00 7.69 H new ATOM 0 HG23 ILE A 36 25.512 29.413 43.771 1.00 7.69 H new ATOM 0 HD11 ILE A 36 28.533 28.798 40.897 1.00 12.91 H new ATOM 0 HD12 ILE A 36 27.235 28.210 40.204 1.00 12.91 H new ATOM 0 HD13 ILE A 36 27.172 29.607 40.949 1.00 12.91 H new ATOM 291 N ALA A 37 23.046 25.671 43.535 1.00 7.26 N ATOM 292 CA ALA A 37 21.549 25.526 43.812 1.00 8.40 C ATOM 293 C ALA A 37 20.938 24.106 43.353 1.00 17.20 C ATOM 294 O ALA A 37 20.437 23.879 42.201 1.00 12.59 O ATOM 295 CB ALA A 37 20.772 26.597 43.116 1.00 8.74 C ATOM 0 H ALA A 37 23.330 25.195 42.878 1.00 7.26 H new ATOM 0 HA ALA A 37 21.466 25.598 44.776 1.00 8.40 H new ATOM 0 HB1 ALA A 37 19.827 26.486 43.305 1.00 8.74 H new ATOM 0 HB2 ALA A 37 21.065 27.466 43.431 1.00 8.74 H new ATOM 0 HB3 ALA A 37 20.919 26.534 42.159 1.00 8.74 H new ATOM 296 N PRO A 38 21.006 23.172 44.222 1.00 14.94 N ATOM 297 CA PRO A 38 20.414 21.770 43.995 1.00 10.41 C ATOM 298 C PRO A 38 18.952 21.543 43.517 1.00 18.29 C ATOM 299 O PRO A 38 18.631 20.657 42.655 1.00 21.23 O ATOM 300 CB PRO A 38 20.530 21.002 45.315 1.00 13.94 C ATOM 301 CG PRO A 38 21.232 22.004 46.321 1.00 7.33 C ATOM 302 CD PRO A 38 21.654 23.337 45.552 1.00 11.13 C ATOM 0 HA PRO A 38 20.937 21.483 43.230 1.00 10.41 H new ATOM 0 HB2 PRO A 38 19.657 20.733 45.641 1.00 13.94 H new ATOM 0 HB3 PRO A 38 21.053 20.193 45.204 1.00 13.94 H new ATOM 0 HG2 PRO A 38 20.629 22.219 47.050 1.00 7.33 H new ATOM 0 HG3 PRO A 38 22.014 21.586 46.714 1.00 7.33 H new ATOM 0 HD2 PRO A 38 21.338 24.132 46.010 1.00 11.13 H new ATOM 0 HD3 PRO A 38 22.618 23.418 45.475 1.00 11.13 H new ATOM 303 N ALA A 39 18.132 22.372 43.930 1.00 12.08 N ATOM 304 CA ALA A 39 16.721 22.253 43.508 1.00 16.12 C ATOM 305 C ALA A 39 16.579 22.350 41.991 1.00 20.36 C ATOM 306 O ALA A 39 15.454 22.035 41.425 1.00 16.54 O ATOM 307 CB ALA A 39 15.995 23.315 44.259 1.00 14.15 C ATOM 0 H ALA A 39 18.310 23.030 44.454 1.00 12.08 H new ATOM 0 HA ALA A 39 16.341 21.385 43.715 1.00 16.12 H new ATOM 0 HB1 ALA A 39 15.054 23.291 44.025 1.00 14.15 H new ATOM 0 HB2 ALA A 39 16.095 23.164 45.212 1.00 14.15 H new ATOM 0 HB3 ALA A 39 16.363 24.183 44.030 1.00 14.15 H new ATOM 308 N ALA A 40 17.655 23.006 41.373 1.00 14.23 N ATOM 309 CA ALA A 40 17.539 23.426 39.968 1.00 16.37 C ATOM 310 C ALA A 40 17.445 22.184 39.068 1.00 15.69 C ATOM 311 O ALA A 40 17.016 22.161 37.881 1.00 14.93 O ATOM 312 CB ALA A 40 18.817 24.401 39.578 1.00 19.10 C ATOM 0 H ALA A 40 18.404 23.192 41.753 1.00 14.23 H new ATOM 0 HA ALA A 40 16.729 23.943 39.831 1.00 16.37 H new ATOM 0 HB1 ALA A 40 18.742 24.679 38.652 1.00 19.10 H new ATOM 0 HB2 ALA A 40 18.814 25.184 40.151 1.00 19.10 H new ATOM 0 HB3 ALA A 40 19.646 23.913 39.702 1.00 19.10 H new ATOM 313 N LYS A 41 17.704 21.127 39.705 1.00 9.84 N ATOM 314 CA LYS A 41 17.636 19.855 38.964 1.00 14.65 C ATOM 315 C LYS A 41 16.263 19.397 38.327 1.00 24.10 C ATOM 316 O LYS A 41 16.210 19.015 37.131 1.00 29.30 O ATOM 317 CB LYS A 41 18.012 18.754 39.867 1.00 17.42 C ATOM 318 CG LYS A 41 17.902 17.363 39.211 1.00 31.60 C ATOM 319 CD LYS A 41 18.159 16.301 40.267 1.00 40.20 C ATOM 320 CE LYS A 41 18.073 14.861 39.694 1.00 33.33 C ATOM 321 NZ LYS A 41 16.719 14.384 39.152 0.00 0.00 N ATOM 0 H LYS A 41 17.918 21.075 40.536 1.00 9.84 H new ATOM 0 HA LYS A 41 18.229 20.037 38.218 1.00 14.65 H new ATOM 0 HB2 LYS A 41 18.923 18.890 40.171 1.00 17.42 H new ATOM 0 HB3 LYS A 41 17.444 18.780 40.653 1.00 17.42 H new ATOM 0 HG2 LYS A 41 17.021 17.244 38.822 1.00 31.60 H new ATOM 0 HG3 LYS A 41 18.544 17.281 38.489 1.00 31.60 H new ATOM 0 HD2 LYS A 41 19.037 16.440 40.654 1.00 40.20 H new ATOM 0 HD3 LYS A 41 17.514 16.400 40.985 1.00 40.20 H new ATOM 0 HE2 LYS A 41 18.723 14.786 38.978 1.00 33.33 H new ATOM 0 HE3 LYS A 41 18.348 14.246 40.392 1.00 33.33 H new ATOM 0 HZ1 LYS A 41 16.796 13.549 38.853 0.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.112 14.411 39.803 0.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.462 14.915 38.485 0.00 0.00 H new ATOM 322 N ASP A 42 15.213 19.632 39.028 1.00 20.04 N ATOM 323 CA ASP A 42 13.836 19.214 38.522 1.00 28.03 C ATOM 324 C ASP A 42 13.462 19.902 37.258 1.00 22.48 C ATOM 325 O ASP A 42 12.439 19.340 36.648 1.00 26.69 O ATOM 326 CB ASP A 42 12.765 19.340 39.595 1.00 40.06 C ATOM 327 CG ASP A 42 13.082 18.473 40.774 1.00 56.87 C ATOM 328 OD1 ASP A 42 13.812 19.076 41.688 1.00 52.90 O ATOM 329 OD2 ASP A 42 13.147 17.238 40.551 1.00 47.11 O ATOM 0 H ASP A 42 15.215 20.023 39.794 1.00 20.04 H new ATOM 0 HA ASP A 42 13.897 18.270 38.307 1.00 28.03 H new ATOM 0 HB2 ASP A 42 12.694 20.265 39.879 1.00 40.06 H new ATOM 0 HB3 ASP A 42 11.903 19.089 39.227 1.00 40.06 H new ATOM 330 N LEU A 43 14.253 21.022 36.876 1.00 17.15 N ATOM 331 CA LEU A 43 13.906 21.839 35.731 1.00 12.76 C ATOM 332 C LEU A 43 14.236 21.240 34.395 1.00 20.29 C ATOM 333 O LEU A 43 13.675 21.612 33.362 1.00 16.81 O ATOM 334 CB LEU A 43 14.693 23.293 35.815 1.00 13.63 C ATOM 335 CG LEU A 43 14.274 24.024 37.055 1.00 7.91 C ATOM 336 CD1 LEU A 43 15.244 25.356 37.253 1.00 14.79 C ATOM 337 CD2 LEU A 43 12.782 24.188 36.944 1.00 11.56 C ATOM 0 H LEU A 43 14.964 21.273 37.290 1.00 17.15 H new ATOM 0 HA LEU A 43 12.941 21.926 35.782 1.00 12.76 H new ATOM 0 HB2 LEU A 43 15.653 23.151 35.821 1.00 13.63 H new ATOM 0 HB3 LEU A 43 14.490 23.826 35.031 1.00 13.63 H new ATOM 0 HG LEU A 43 14.412 23.566 37.899 1.00 7.91 H new ATOM 0 HD11 LEU A 43 14.978 25.834 38.054 1.00 14.79 H new ATOM 0 HD12 LEU A 43 16.168 25.074 37.337 1.00 14.79 H new ATOM 0 HD13 LEU A 43 15.153 25.940 36.484 1.00 14.79 H new ATOM 0 HD21 LEU A 43 12.449 24.658 37.724 1.00 11.56 H new ATOM 0 HD22 LEU A 43 12.571 24.697 36.146 1.00 11.56 H new ATOM 0 HD23 LEU A 43 12.363 23.315 36.890 1.00 11.56 H new ATOM 338 N PHE A 44 15.155 20.393 34.439 1.00 15.89 N ATOM 339 CA PHE A 44 15.830 19.961 33.224 1.00 18.92 C ATOM 340 C PHE A 44 15.302 18.516 32.809 1.00 24.25 C ATOM 341 O PHE A 44 15.491 17.617 33.617 1.00 19.21 O ATOM 342 CB PHE A 44 17.392 20.138 33.402 1.00 10.47 C ATOM 343 CG PHE A 44 17.986 21.685 33.504 1.00 21.72 C ATOM 344 CD1 PHE A 44 18.291 22.273 34.732 1.00 13.97 C ATOM 345 CD2 PHE A 44 18.243 22.480 32.368 1.00 15.55 C ATOM 346 CE1 PHE A 44 18.882 23.632 34.831 1.00 19.26 C ATOM 347 CE2 PHE A 44 18.820 23.859 32.469 1.00 12.47 C ATOM 348 CZ PHE A 44 19.150 24.433 33.696 1.00 13.47 C ATOM 0 H PHE A 44 15.440 20.023 35.161 1.00 15.89 H new ATOM 0 HA PHE A 44 15.616 20.516 32.458 1.00 18.92 H new ATOM 0 HB2 PHE A 44 17.657 19.663 34.205 1.00 10.47 H new ATOM 0 HB3 PHE A 44 17.829 19.699 32.656 1.00 10.47 H new ATOM 0 HD1 PHE A 44 18.119 21.799 35.513 1.00 13.97 H new ATOM 0 HD2 PHE A 44 18.047 22.136 31.526 1.00 15.55 H new ATOM 0 HE1 PHE A 44 19.084 23.970 35.673 1.00 19.26 H new ATOM 0 HE2 PHE A 44 18.962 24.347 31.690 1.00 12.47 H new ATOM 0 HZ PHE A 44 19.521 25.283 33.764 1.00 13.47 H new ATOM 349 N SER A 45 14.543 18.317 31.719 1.00 21.12 N ATOM 350 CA SER A 45 13.888 16.941 31.262 1.00 25.00 C ATOM 351 C SER A 45 14.828 15.875 31.244 1.00 22.41 C ATOM 352 O SER A 45 14.512 14.720 31.750 1.00 20.87 O ATOM 353 CB SER A 45 13.261 17.010 29.838 1.00 39.40 C ATOM 354 OG SER A 45 14.191 17.665 28.820 1.00 41.01 O ATOM 0 H SER A 45 14.359 18.959 31.177 1.00 21.12 H new ATOM 0 HA SER A 45 13.196 16.777 31.922 1.00 25.00 H new ATOM 0 HB2 SER A 45 13.042 16.113 29.541 1.00 39.40 H new ATOM 0 HB3 SER A 45 12.429 17.507 29.878 1.00 39.40 H new ATOM 0 HG SER A 45 14.199 18.496 28.942 1.00 41.01 H new ATOM 355 N PHE A 46 16.057 16.304 30.865 1.00 18.42 N ATOM 356 CA PHE A 46 17.050 15.395 30.864 1.00 10.09 C ATOM 357 C PHE A 46 17.666 15.189 32.237 1.00 34.69 C ATOM 358 O PHE A 46 18.461 14.337 32.383 1.00 23.38 O ATOM 359 CB PHE A 46 18.171 15.801 29.778 1.00 8.99 C ATOM 360 CG PHE A 46 18.785 17.317 29.835 1.00 14.63 C ATOM 361 CD1 PHE A 46 18.281 18.241 29.015 1.00 16.11 C ATOM 362 CD2 PHE A 46 19.839 17.757 30.697 1.00 23.03 C ATOM 363 CE1 PHE A 46 18.802 19.610 29.082 1.00 28.60 C ATOM 364 CE2 PHE A 46 20.397 19.146 30.759 1.00 21.18 C ATOM 365 CZ PHE A 46 19.867 20.075 29.954 1.00 19.70 C ATOM 0 H PHE A 46 16.266 17.103 30.624 1.00 18.42 H new ATOM 0 HA PHE A 46 16.659 14.543 30.615 1.00 10.09 H new ATOM 0 HB2 PHE A 46 18.909 15.178 29.866 1.00 8.99 H new ATOM 0 HB3 PHE A 46 17.791 15.667 28.895 1.00 8.99 H new ATOM 0 HD1 PHE A 46 17.610 18.020 28.410 1.00 16.11 H new ATOM 0 HD2 PHE A 46 20.210 17.125 31.269 1.00 23.03 H new ATOM 0 HE1 PHE A 46 18.416 20.238 28.515 1.00 28.60 H new ATOM 0 HE2 PHE A 46 21.092 19.357 31.340 1.00 21.18 H new ATOM 0 HZ PHE A 46 20.160 20.958 29.953 1.00 19.70 H new ATOM 366 N LEU A 47 17.434 15.992 33.245 1.00 27.70 N ATOM 367 CA LEU A 47 17.998 15.673 34.574 1.00 18.51 C ATOM 368 C LEU A 47 16.837 14.990 35.464 1.00 22.58 C ATOM 369 O LEU A 47 17.102 14.253 36.405 1.00 23.44 O ATOM 370 CB LEU A 47 18.537 16.974 35.344 1.00 22.54 C ATOM 371 CG LEU A 47 19.752 17.860 34.689 1.00 33.26 C ATOM 372 CD1 LEU A 47 20.123 19.175 35.516 1.00 29.54 C ATOM 373 CD2 LEU A 47 20.960 17.088 34.542 1.00 28.63 C ATOM 0 H LEU A 47 16.968 16.713 33.205 1.00 27.70 H new ATOM 0 HA LEU A 47 18.753 15.078 34.444 1.00 18.51 H new ATOM 0 HB2 LEU A 47 17.781 17.569 35.473 1.00 22.54 H new ATOM 0 HB3 LEU A 47 18.828 16.690 36.225 1.00 22.54 H new ATOM 0 HG LEU A 47 19.402 18.128 33.825 1.00 33.26 H new ATOM 0 HD11 LEU A 47 20.845 19.645 35.070 1.00 29.54 H new ATOM 0 HD12 LEU A 47 19.346 19.754 35.570 1.00 29.54 H new ATOM 0 HD13 LEU A 47 20.403 18.926 36.411 1.00 29.54 H new ATOM 0 HD21 LEU A 47 21.654 17.643 34.153 1.00 28.63 H new ATOM 0 HD22 LEU A 47 21.250 16.771 35.412 1.00 28.63 H new ATOM 0 HD23 LEU A 47 20.791 16.329 33.962 1.00 28.63 H new ATOM 374 N LYS A 48 15.636 15.361 35.266 1.00 51.23 N ATOM 375 CA LYS A 48 14.416 14.726 35.997 1.00 53.75 C ATOM 376 C LYS A 48 14.352 13.181 35.935 1.00 49.45 C ATOM 377 O LYS A 48 14.282 12.546 34.847 1.00 48.66 O ATOM 378 CB LYS A 48 13.071 15.082 35.408 1.00 43.42 C ATOM 379 CG LYS A 48 12.902 16.577 35.385 0.00 0.00 C ATOM 380 CD LYS A 48 11.463 16.728 34.912 0.00 0.00 C ATOM 381 CE LYS A 48 11.106 16.074 33.536 0.00 0.00 C ATOM 382 NZ LYS A 48 9.728 16.254 33.144 0.00 0.00 N ATOM 0 H LYS A 48 15.422 15.986 34.716 1.00 51.23 H new ATOM 0 HA LYS A 48 14.563 15.078 36.889 1.00 53.75 H new ATOM 0 HB2 LYS A 48 12.999 14.726 34.508 1.00 43.42 H new ATOM 0 HB3 LYS A 48 12.362 14.676 35.931 1.00 43.42 H new ATOM 0 HG2 LYS A 48 13.039 16.971 36.261 0.00 0.00 H new ATOM 0 HG3 LYS A 48 13.529 17.004 34.780 0.00 0.00 H new ATOM 0 HD2 LYS A 48 10.880 16.349 35.588 0.00 0.00 H new ATOM 0 HD3 LYS A 48 11.259 17.675 34.860 0.00 0.00 H new ATOM 0 HE2 LYS A 48 11.680 16.450 32.850 0.00 0.00 H new ATOM 0 HE3 LYS A 48 11.300 15.125 33.579 0.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.589 15.861 32.357 0.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.195 15.888 33.756 0.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.549 17.123 33.077 0.00 0.00 H new ATOM 383 N GLY A 49 14.408 12.589 37.074 1.00 48.00 N ATOM 384 CA GLY A 49 14.153 11.125 37.164 1.00 52.62 C ATOM 385 C GLY A 49 15.459 10.571 37.348 1.00 53.57 C ATOM 386 O GLY A 49 15.442 9.466 37.948 1.00 51.53 O ATOM 0 H GLY A 49 14.587 12.976 37.821 1.00 48.00 H new ATOM 0 HA2 GLY A 49 13.566 10.909 37.905 1.00 52.62 H new ATOM 0 HA3 GLY A 49 13.731 10.786 36.359 1.00 52.62 H new ATOM 387 N THR A 50 16.546 11.343 36.887 1.00 42.79 N ATOM 388 CA THR A 50 17.847 10.889 37.073 1.00 49.43 C ATOM 389 C THR A 50 18.251 11.013 38.555 1.00 50.41 C ATOM 390 O THR A 50 17.666 11.731 39.321 1.00 51.16 O ATOM 391 CB THR A 50 18.952 11.705 36.159 1.00 48.54 C ATOM 392 OG1 THR A 50 19.349 12.998 36.713 1.00 35.54 O ATOM 393 CG2 THR A 50 18.486 11.958 34.725 1.00 33.23 C ATOM 0 H THR A 50 16.476 12.100 36.485 1.00 42.79 H new ATOM 0 HA THR A 50 17.851 9.961 36.791 1.00 49.43 H new ATOM 0 HB THR A 50 19.713 11.104 36.164 1.00 48.54 H new ATOM 0 HG1 THR A 50 18.739 13.559 36.580 1.00 35.54 H new ATOM 0 HG21 THR A 50 19.175 12.439 34.241 1.00 33.23 H new ATOM 0 HG22 THR A 50 18.314 11.110 34.286 1.00 33.23 H new ATOM 0 HG23 THR A 50 17.672 12.486 34.737 1.00 33.23 H new ATOM 394 N SER A 51 19.313 10.500 38.966 1.00 46.17 N ATOM 395 CA SER A 51 19.826 10.867 40.307 1.00 48.35 C ATOM 396 C SER A 51 21.186 11.780 40.232 1.00 54.81 C ATOM 397 O SER A 51 21.440 12.864 40.908 1.00 51.26 O ATOM 398 CB SER A 51 20.026 9.615 41.110 1.00 56.81 C ATOM 399 OG SER A 51 20.469 10.041 42.428 0.00 0.00 O ATOM 0 H SER A 51 19.791 9.934 38.529 1.00 46.17 H new ATOM 0 HA SER A 51 19.169 11.427 40.750 1.00 48.35 H new ATOM 0 HB2 SER A 51 19.202 9.107 41.170 1.00 56.81 H new ATOM 0 HB3 SER A 51 20.685 9.038 40.693 1.00 56.81 H new ATOM 0 HG SER A 51 20.592 9.367 42.914 0.00 0.00 H new ATOM 400 N GLU A 52 21.957 11.393 39.292 1.00 42.86 N ATOM 401 CA GLU A 52 23.240 12.211 38.934 1.00 45.24 C ATOM 402 C GLU A 52 23.163 12.865 37.561 1.00 40.86 C ATOM 403 O GLU A 52 22.288 12.337 36.744 1.00 38.62 O ATOM 404 CB GLU A 52 24.356 11.315 38.909 1.00 38.01 C ATOM 405 CG GLU A 52 24.706 10.789 40.284 0.00 0.00 C ATOM 406 CD GLU A 52 25.936 10.092 40.057 0.00 0.00 C ATOM 407 OE1 GLU A 52 26.704 10.452 39.084 0.00 0.00 O ATOM 408 OE2 GLU A 52 26.335 9.379 40.964 0.00 0.00 O ATOM 0 H GLU A 52 21.829 10.689 38.814 1.00 42.86 H new ATOM 0 HA GLU A 52 23.329 12.908 39.602 1.00 45.24 H new ATOM 0 HB2 GLU A 52 24.156 10.569 38.322 1.00 38.01 H new ATOM 0 HB3 GLU A 52 25.126 11.772 38.535 1.00 38.01 H new ATOM 0 HG2 GLU A 52 24.813 11.507 40.927 0.00 0.00 H new ATOM 0 HG3 GLU A 52 24.017 10.200 40.629 0.00 0.00 H new ATOM 409 N VAL A 53 24.047 13.984 37.327 1.00 24.15 N ATOM 410 CA VAL A 53 24.050 14.669 36.047 1.00 27.80 C ATOM 411 C VAL A 53 24.661 13.787 35.036 1.00 26.39 C ATOM 412 O VAL A 53 25.734 13.331 35.326 1.00 18.68 O ATOM 413 CB VAL A 53 24.913 16.102 36.189 1.00 27.50 C ATOM 414 CG1 VAL A 53 25.156 16.851 34.858 1.00 13.41 C ATOM 415 CG2 VAL A 53 24.293 16.969 37.211 1.00 14.02 C ATOM 0 H VAL A 53 24.600 14.297 37.907 1.00 24.15 H new ATOM 0 HA VAL A 53 23.144 14.881 35.773 1.00 27.80 H new ATOM 0 HB VAL A 53 25.804 15.852 36.479 1.00 27.50 H new ATOM 0 HG11 VAL A 53 25.658 17.663 35.030 1.00 13.41 H new ATOM 0 HG12 VAL A 53 25.658 16.282 34.254 1.00 13.41 H new ATOM 0 HG13 VAL A 53 24.304 17.078 34.454 1.00 13.41 H new ATOM 0 HG21 VAL A 53 24.798 17.794 37.286 1.00 14.02 H new ATOM 0 HG22 VAL A 53 23.380 17.172 36.953 1.00 14.02 H new ATOM 0 HG23 VAL A 53 24.293 16.512 38.067 1.00 14.02 H new ATOM 416 N PRO A 54 23.884 13.319 34.016 1.00 15.45 N ATOM 417 CA PRO A 54 24.366 12.466 32.989 1.00 9.57 C ATOM 418 C PRO A 54 25.668 13.156 32.329 1.00 19.19 C ATOM 419 O PRO A 54 25.930 14.422 32.176 1.00 27.29 O ATOM 420 CB PRO A 54 23.224 12.185 31.967 1.00 6.35 C ATOM 421 CG PRO A 54 22.229 13.167 32.263 1.00 21.17 C ATOM 422 CD PRO A 54 22.562 13.672 33.660 1.00 12.28 C ATOM 0 HA PRO A 54 24.637 11.602 33.337 1.00 9.57 H new ATOM 0 HB2 PRO A 54 23.540 12.266 31.053 1.00 6.35 H new ATOM 0 HB3 PRO A 54 22.874 11.286 32.067 1.00 6.35 H new ATOM 0 HG2 PRO A 54 22.248 13.890 31.616 1.00 21.17 H new ATOM 0 HG3 PRO A 54 21.339 12.783 32.233 1.00 21.17 H new ATOM 0 HD2 PRO A 54 22.459 14.636 33.694 1.00 12.28 H new ATOM 0 HD3 PRO A 54 21.938 13.298 34.302 1.00 12.28 H new ATOM 423 N GLN A 55 26.518 12.365 31.962 1.00 16.89 N ATOM 424 CA GLN A 55 27.809 12.963 31.353 1.00 23.78 C ATOM 425 C GLN A 55 27.907 12.940 29.825 1.00 21.88 C ATOM 426 O GLN A 55 28.787 13.743 29.215 1.00 25.36 O ATOM 427 CB GLN A 55 28.892 12.216 31.912 1.00 22.25 C ATOM 428 CG GLN A 55 28.646 11.979 33.402 1.00 31.67 C ATOM 429 CD GLN A 55 29.916 11.516 33.948 1.00 54.30 C ATOM 430 OE1 GLN A 55 31.047 11.875 33.373 1.00 52.66 O ATOM 431 NE2 GLN A 55 29.769 11.114 35.201 1.00 55.72 N ATOM 0 H GLN A 55 26.472 11.507 32.007 1.00 16.89 H new ATOM 0 HA GLN A 55 27.822 13.908 31.571 1.00 23.78 H new ATOM 0 HB2 GLN A 55 28.981 11.367 31.452 1.00 22.25 H new ATOM 0 HB3 GLN A 55 29.725 12.696 31.786 1.00 22.25 H new ATOM 0 HG2 GLN A 55 28.356 12.794 33.840 1.00 31.67 H new ATOM 0 HG3 GLN A 55 27.948 11.320 33.538 1.00 31.67 H new ATOM 0 HE21 GLN A 55 28.990 10.898 35.495 1.00 55.72 H new ATOM 0 HE22 GLN A 55 30.452 11.069 35.721 1.00 55.72 H new ATOM 432 N ASN A 56 27.066 12.025 29.197 1.00 23.07 N ATOM 433 CA ASN A 56 27.031 11.911 27.737 1.00 12.96 C ATOM 434 C ASN A 56 25.633 11.941 27.177 1.00 13.61 C ATOM 435 O ASN A 56 25.163 11.105 26.311 1.00 14.57 O ATOM 436 CB ASN A 56 27.515 10.559 27.313 1.00 3.00 C ATOM 437 CG ASN A 56 29.015 10.588 27.599 1.00 23.28 C ATOM 438 OD1 ASN A 56 29.346 10.038 28.655 1.00 20.95 O ATOM 439 ND2 ASN A 56 29.850 11.476 26.918 1.00 19.21 N ATOM 0 H ASN A 56 26.535 11.491 29.612 1.00 23.07 H new ATOM 0 HA ASN A 56 27.568 12.655 27.421 1.00 12.96 H new ATOM 0 HB2 ASN A 56 27.073 9.853 27.810 1.00 3.00 H new ATOM 0 HB3 ASN A 56 27.337 10.398 26.373 1.00 3.00 H new ATOM 0 HD21 ASN A 56 30.630 11.659 27.231 1.00 19.21 H new ATOM 0 HD22 ASN A 56 29.585 11.840 26.185 1.00 19.21 H new ATOM 440 N ASN A 57 25.009 12.907 27.579 1.00 5.28 N ATOM 441 CA ASN A 57 23.663 13.000 27.106 1.00 17.66 C ATOM 442 C ASN A 57 23.719 14.151 26.090 1.00 12.25 C ATOM 443 O ASN A 57 24.211 15.302 26.495 1.00 17.59 O ATOM 444 CB ASN A 57 22.808 13.305 28.338 1.00 7.06 C ATOM 445 CG ASN A 57 21.347 13.252 27.843 1.00 16.30 C ATOM 446 OD1 ASN A 57 20.994 14.304 27.385 1.00 20.59 O ATOM 447 ND2 ASN A 57 20.449 12.408 28.536 1.00 14.86 N ATOM 0 H ASN A 57 25.289 13.526 28.107 1.00 5.28 H new ATOM 0 HA ASN A 57 23.289 12.212 26.682 1.00 17.66 H new ATOM 0 HB2 ASN A 57 22.963 12.655 29.041 1.00 7.06 H new ATOM 0 HB3 ASN A 57 23.022 14.177 28.705 1.00 7.06 H new ATOM 0 HD21 ASN A 57 19.628 12.644 28.637 1.00 14.86 H new ATOM 0 HD22 ASN A 57 20.723 11.658 28.856 1.00 14.86 H new ATOM 448 N PRO A 58 23.289 13.894 24.846 1.00 15.80 N ATOM 449 CA PRO A 58 23.469 14.913 23.780 1.00 13.31 C ATOM 450 C PRO A 58 22.611 16.021 23.972 1.00 8.41 C ATOM 451 O PRO A 58 22.961 17.143 23.404 1.00 14.45 O ATOM 452 CB PRO A 58 23.169 14.171 22.433 1.00 14.62 C ATOM 453 CG PRO A 58 22.502 12.747 22.812 1.00 13.37 C ATOM 454 CD PRO A 58 22.698 12.572 24.316 1.00 21.78 C ATOM 0 HA PRO A 58 24.367 15.280 23.786 1.00 13.31 H new ATOM 0 HB2 PRO A 58 22.568 14.694 21.880 1.00 14.62 H new ATOM 0 HB3 PRO A 58 23.984 14.043 21.923 1.00 14.62 H new ATOM 0 HG2 PRO A 58 21.560 12.733 22.581 1.00 13.37 H new ATOM 0 HG3 PRO A 58 22.925 12.025 22.321 1.00 13.37 H new ATOM 0 HD2 PRO A 58 21.855 12.373 24.752 1.00 21.78 H new ATOM 0 HD3 PRO A 58 23.295 11.830 24.501 1.00 21.78 H new ATOM 455 N GLU A 59 21.486 15.700 24.703 1.00 12.64 N ATOM 456 CA GLU A 59 20.623 16.738 24.925 1.00 13.59 C ATOM 457 C GLU A 59 21.343 17.800 25.862 1.00 9.58 C ATOM 458 O GLU A 59 21.434 19.025 25.621 1.00 13.78 O ATOM 459 CB GLU A 59 19.297 16.150 25.595 1.00 9.33 C ATOM 460 CG GLU A 59 18.132 15.888 24.600 1.00 46.79 C ATOM 461 CD GLU A 59 16.810 15.876 25.372 1.00 63.96 C ATOM 462 OE1 GLU A 59 16.425 16.999 25.644 1.00 56.80 O ATOM 463 OE2 GLU A 59 16.340 14.834 26.034 1.00 51.06 O ATOM 0 H GLU A 59 21.276 14.931 25.027 1.00 12.64 H new ATOM 0 HA GLU A 59 20.375 17.184 24.100 1.00 13.59 H new ATOM 0 HB2 GLU A 59 19.517 15.319 26.044 1.00 9.33 H new ATOM 0 HB3 GLU A 59 18.992 16.768 26.277 1.00 9.33 H new ATOM 0 HG2 GLU A 59 18.114 16.576 23.916 1.00 46.79 H new ATOM 0 HG3 GLU A 59 18.263 15.041 24.147 1.00 46.79 H new ATOM 464 N LEU A 60 21.886 17.305 26.869 1.00 10.18 N ATOM 465 CA LEU A 60 22.665 18.224 27.793 1.00 12.17 C ATOM 466 C LEU A 60 23.870 19.066 27.118 1.00 9.81 C ATOM 467 O LEU A 60 24.162 20.314 27.355 1.00 12.09 O ATOM 468 CB LEU A 60 23.053 17.390 29.013 1.00 19.65 C ATOM 469 CG LEU A 60 23.931 18.138 30.162 1.00 13.36 C ATOM 470 CD1 LEU A 60 23.639 17.400 31.488 1.00 6.40 C ATOM 471 CD2 LEU A 60 25.484 18.365 29.901 1.00 8.80 C ATOM 0 H LEU A 60 21.861 16.476 27.095 1.00 10.18 H new ATOM 0 HA LEU A 60 22.096 18.963 28.059 1.00 12.17 H new ATOM 0 HB2 LEU A 60 22.239 17.057 29.423 1.00 19.65 H new ATOM 0 HB3 LEU A 60 23.553 16.618 28.705 1.00 19.65 H new ATOM 0 HG LEU A 60 23.642 19.064 30.176 1.00 13.36 H new ATOM 0 HD11 LEU A 60 24.143 17.813 32.206 1.00 6.40 H new ATOM 0 HD12 LEU A 60 22.691 17.454 31.687 1.00 6.40 H new ATOM 0 HD13 LEU A 60 23.899 16.469 31.405 1.00 6.40 H new ATOM 0 HD21 LEU A 60 25.878 18.818 30.663 1.00 8.80 H new ATOM 0 HD22 LEU A 60 25.920 17.508 29.775 1.00 8.80 H new ATOM 0 HD23 LEU A 60 25.603 18.908 29.106 1.00 8.80 H new ATOM 472 N GLN A 61 24.559 18.385 26.287 1.00 10.78 N ATOM 473 CA GLN A 61 25.780 19.025 25.587 1.00 3.54 C ATOM 474 C GLN A 61 25.505 20.130 24.607 1.00 11.94 C ATOM 475 O GLN A 61 26.123 21.323 24.724 1.00 6.82 O ATOM 476 CB GLN A 61 26.513 17.980 24.862 1.00 3.00 C ATOM 477 CG GLN A 61 27.209 17.205 25.927 1.00 3.00 C ATOM 478 CD GLN A 61 27.725 16.021 25.233 1.00 15.50 C ATOM 479 OE1 GLN A 61 27.471 15.902 23.993 1.00 16.83 O flip ATOM 480 NE2 GLN A 61 28.251 15.136 25.860 1.00 9.59 N flip ATOM 0 H GLN A 61 24.400 17.568 26.071 1.00 10.78 H new ATOM 0 HA GLN A 61 26.276 19.434 26.313 1.00 3.54 H new ATOM 0 HB2 GLN A 61 25.911 17.416 24.351 1.00 3.00 H new ATOM 0 HB3 GLN A 61 27.145 18.363 24.234 1.00 3.00 H new ATOM 0 HG2 GLN A 61 27.926 17.720 26.329 1.00 3.00 H new ATOM 0 HG3 GLN A 61 26.601 16.960 26.642 1.00 3.00 H new ATOM 0 HE21 GLN A 61 28.413 15.240 26.698 1.00 9.59 H new ATOM 0 HE22 GLN A 61 28.465 14.400 25.469 1.00 9.59 H new ATOM 481 N ALA A 62 24.437 19.764 23.844 1.00 13.99 N ATOM 482 CA ALA A 62 23.958 20.732 22.931 1.00 20.10 C ATOM 483 C ALA A 62 23.432 21.896 23.644 1.00 17.07 C ATOM 484 O ALA A 62 23.740 23.061 23.166 1.00 17.78 O ATOM 485 CB ALA A 62 22.842 20.024 22.070 1.00 13.05 C ATOM 0 H ALA A 62 24.027 19.008 23.862 1.00 13.99 H new ATOM 0 HA ALA A 62 24.668 21.061 22.358 1.00 20.10 H new ATOM 0 HB1 ALA A 62 22.482 20.654 21.426 1.00 13.05 H new ATOM 0 HB2 ALA A 62 23.226 19.267 21.601 1.00 13.05 H new ATOM 0 HB3 ALA A 62 22.130 19.716 22.653 1.00 13.05 H new ATOM 486 N HIS A 63 22.615 21.570 24.695 1.00 9.93 N ATOM 487 CA HIS A 63 22.121 22.659 25.471 1.00 13.20 C ATOM 488 C HIS A 63 23.307 23.728 25.988 1.00 16.94 C ATOM 489 O HIS A 63 23.304 24.975 25.808 1.00 16.73 O ATOM 490 CB HIS A 63 21.282 22.007 26.662 1.00 6.00 C ATOM 491 CG HIS A 63 20.742 23.046 27.588 1.00 16.13 C ATOM 492 ND1 HIS A 63 21.356 23.867 28.544 1.00 27.98 N flip ATOM 493 CD2 HIS A 63 19.408 23.241 27.535 1.00 23.36 C flip ATOM 494 CE1 HIS A 63 20.453 24.624 29.084 1.00 18.81 C flip ATOM 495 NE2 HIS A 63 19.223 24.232 28.455 1.00 15.38 N flip ATOM 0 H HIS A 63 22.372 20.780 24.932 1.00 9.93 H new ATOM 0 HA HIS A 63 21.558 23.231 24.926 1.00 13.20 H new ATOM 0 HB2 HIS A 63 20.550 21.487 26.296 1.00 6.00 H new ATOM 0 HB3 HIS A 63 21.846 21.393 27.157 1.00 6.00 H new ATOM 0 HD2 HIS A 63 18.776 22.810 27.006 1.00 23.36 H new ATOM 0 HE1 HIS A 63 20.575 25.277 29.735 1.00 18.81 H new ATOM 0 HE2 HIS A 63 18.458 24.581 28.637 1.00 15.38 H new ATOM 496 N ALA A 64 24.156 23.239 26.823 1.00 13.74 N ATOM 497 CA ALA A 64 25.290 24.074 27.497 1.00 10.86 C ATOM 498 C ALA A 64 26.313 24.866 26.526 1.00 8.79 C ATOM 499 O ALA A 64 26.731 26.109 26.728 1.00 15.93 O ATOM 500 CB ALA A 64 26.010 23.214 28.466 1.00 5.23 C ATOM 0 H ALA A 64 24.151 22.413 27.064 1.00 13.74 H new ATOM 0 HA ALA A 64 24.832 24.806 27.939 1.00 10.86 H new ATOM 0 HB1 ALA A 64 26.717 23.725 28.890 1.00 5.23 H new ATOM 0 HB2 ALA A 64 25.390 22.898 29.142 1.00 5.23 H new ATOM 0 HB3 ALA A 64 26.395 22.455 28.001 1.00 5.23 H new ATOM 501 N GLY A 65 26.558 24.194 25.420 1.00 15.69 N ATOM 502 CA GLY A 65 27.343 24.871 24.289 1.00 22.74 C ATOM 503 C GLY A 65 26.772 26.118 23.730 1.00 26.45 C ATOM 504 O GLY A 65 27.586 27.180 23.527 1.00 17.35 O ATOM 0 H GLY A 65 26.311 23.385 25.267 1.00 15.69 H new ATOM 0 HA2 GLY A 65 28.235 25.067 24.616 1.00 22.74 H new ATOM 0 HA3 GLY A 65 27.441 24.233 23.565 1.00 22.74 H new ATOM 505 N LYS A 66 25.445 25.998 23.499 1.00 15.32 N ATOM 506 CA LYS A 66 24.746 27.099 22.990 1.00 13.79 C ATOM 507 C LYS A 66 24.841 28.266 23.997 1.00 21.08 C ATOM 508 O LYS A 66 24.832 29.465 23.609 1.00 16.71 O ATOM 509 CB LYS A 66 23.242 26.622 22.740 1.00 11.69 C ATOM 510 CG LYS A 66 22.924 25.544 21.644 1.00 55.13 C ATOM 511 CD LYS A 66 21.402 24.859 21.662 1.00 56.23 C ATOM 512 CE LYS A 66 20.439 25.758 21.044 1.00 57.00 C ATOM 513 NZ LYS A 66 19.073 24.992 20.880 0.00 0.00 N ATOM 0 H LYS A 66 24.977 25.290 23.639 1.00 15.32 H new ATOM 0 HA LYS A 66 25.117 27.420 22.153 1.00 13.79 H new ATOM 0 HB2 LYS A 66 22.905 26.282 23.584 1.00 11.69 H new ATOM 0 HB3 LYS A 66 22.722 27.412 22.525 1.00 11.69 H new ATOM 0 HG2 LYS A 66 23.059 25.951 20.774 1.00 55.13 H new ATOM 0 HG3 LYS A 66 23.575 24.830 21.727 1.00 55.13 H new ATOM 0 HD2 LYS A 66 21.415 24.013 21.188 1.00 56.23 H new ATOM 0 HD3 LYS A 66 21.137 24.668 22.575 1.00 56.23 H new ATOM 0 HE2 LYS A 66 20.318 26.550 21.591 1.00 57.00 H new ATOM 0 HE3 LYS A 66 20.763 26.057 20.180 1.00 57.00 H new ATOM 0 HZ1 LYS A 66 18.474 25.531 20.503 0.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.194 24.276 20.365 0.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.778 24.735 21.680 0.00 0.00 H new ATOM 514 N VAL A 67 24.731 27.903 25.272 1.00 14.88 N ATOM 515 CA VAL A 67 24.834 28.984 26.348 1.00 22.85 C ATOM 516 C VAL A 67 26.223 29.887 26.353 1.00 9.65 C ATOM 517 O VAL A 67 26.317 31.143 26.226 1.00 15.05 O ATOM 518 CB VAL A 67 24.626 28.382 27.784 1.00 22.34 C ATOM 519 CG1 VAL A 67 24.939 29.496 28.867 1.00 9.36 C ATOM 520 CG2 VAL A 67 23.192 27.551 27.947 1.00 16.67 C ATOM 0 H VAL A 67 24.605 27.101 25.555 1.00 14.88 H new ATOM 0 HA VAL A 67 24.119 29.594 26.109 1.00 22.85 H new ATOM 0 HB VAL A 67 25.268 27.673 27.945 1.00 22.34 H new ATOM 0 HG11 VAL A 67 24.812 29.129 29.756 1.00 9.36 H new ATOM 0 HG12 VAL A 67 25.857 29.794 28.769 1.00 9.36 H new ATOM 0 HG13 VAL A 67 24.340 30.248 28.740 1.00 9.36 H new ATOM 0 HG21 VAL A 67 23.120 27.204 28.850 1.00 16.67 H new ATOM 0 HG22 VAL A 67 22.449 28.149 27.770 1.00 16.67 H new ATOM 0 HG23 VAL A 67 23.171 26.815 27.316 1.00 16.67 H new ATOM 521 N PHE A 68 27.280 29.224 26.248 1.00 8.85 N ATOM 522 CA PHE A 68 28.646 29.999 26.204 1.00 15.19 C ATOM 523 C PHE A 68 28.955 30.751 24.887 1.00 14.56 C ATOM 524 O PHE A 68 29.692 31.886 24.892 1.00 17.99 O ATOM 525 CB PHE A 68 29.686 29.081 26.380 1.00 3.48 C ATOM 526 CG PHE A 68 29.840 28.649 27.848 1.00 13.98 C ATOM 527 CD1 PHE A 68 30.940 29.254 28.568 1.00 19.01 C ATOM 528 CD2 PHE A 68 28.867 27.704 28.455 1.00 8.84 C ATOM 529 CE1 PHE A 68 31.090 28.930 29.906 1.00 11.99 C ATOM 530 CE2 PHE A 68 29.013 27.353 29.791 1.00 12.51 C ATOM 531 CZ PHE A 68 30.130 27.970 30.507 1.00 14.29 C ATOM 0 H PHE A 68 27.331 28.367 26.197 1.00 8.85 H new ATOM 0 HA PHE A 68 28.572 30.666 26.904 1.00 15.19 H new ATOM 0 HB2 PHE A 68 29.521 28.299 25.830 1.00 3.48 H new ATOM 0 HB3 PHE A 68 30.517 29.474 26.072 1.00 3.48 H new ATOM 0 HD1 PHE A 68 31.526 29.840 28.147 1.00 19.01 H new ATOM 0 HD2 PHE A 68 28.171 27.353 27.948 1.00 8.84 H new ATOM 0 HE1 PHE A 68 31.773 29.304 30.414 1.00 11.99 H new ATOM 0 HE2 PHE A 68 28.432 26.758 30.208 1.00 12.51 H new ATOM 0 HZ PHE A 68 30.247 27.745 31.402 1.00 14.29 H new ATOM 532 N LYS A 69 28.282 30.189 23.849 1.00 13.23 N ATOM 533 CA LYS A 69 28.488 30.824 22.546 1.00 4.81 C ATOM 534 C LYS A 69 27.959 32.147 22.502 1.00 3.00 C ATOM 535 O LYS A 69 28.631 33.073 21.847 1.00 15.63 O ATOM 536 CB LYS A 69 27.846 29.894 21.392 1.00 12.62 C ATOM 537 CG LYS A 69 28.466 30.385 20.019 1.00 14.74 C ATOM 538 CD LYS A 69 27.481 29.864 18.885 1.00 43.23 C ATOM 539 CE LYS A 69 26.072 30.310 19.058 1.00 47.99 C ATOM 540 NZ LYS A 69 25.276 30.013 17.831 0.00 0.00 N ATOM 0 H LYS A 69 27.756 29.509 23.879 1.00 13.23 H new ATOM 0 HA LYS A 69 29.442 30.909 22.394 1.00 4.81 H new ATOM 0 HB2 LYS A 69 28.051 28.959 21.548 1.00 12.62 H new ATOM 0 HB3 LYS A 69 26.879 29.974 21.382 1.00 12.62 H new ATOM 0 HG2 LYS A 69 28.541 31.352 19.997 1.00 14.74 H new ATOM 0 HG3 LYS A 69 29.359 30.029 19.894 1.00 14.74 H new ATOM 0 HD2 LYS A 69 27.804 30.170 18.023 1.00 43.23 H new ATOM 0 HD3 LYS A 69 27.504 28.894 18.869 1.00 43.23 H new ATOM 0 HE2 LYS A 69 25.677 29.863 19.823 1.00 47.99 H new ATOM 0 HE3 LYS A 69 26.049 31.262 19.243 1.00 47.99 H new ATOM 0 HZ1 LYS A 69 24.437 30.285 17.948 0.00 0.00 H new ATOM 0 HZ2 LYS A 69 25.631 30.440 17.136 0.00 0.00 H new ATOM 0 HZ3 LYS A 69 25.285 29.137 17.676 0.00 0.00 H new ATOM 541 N LEU A 70 26.737 32.128 22.998 1.00 3.07 N ATOM 542 CA LEU A 70 26.012 33.280 23.003 1.00 10.20 C ATOM 543 C LEU A 70 26.721 34.427 23.884 1.00 13.31 C ATOM 544 O LEU A 70 26.756 35.624 23.525 1.00 14.80 O ATOM 545 CB LEU A 70 24.593 32.834 23.561 1.00 6.93 C ATOM 546 CG LEU A 70 23.633 32.075 22.510 1.00 17.78 C ATOM 547 CD1 LEU A 70 22.214 31.716 23.125 1.00 26.67 C ATOM 548 CD2 LEU A 70 23.583 32.931 21.239 1.00 18.60 C ATOM 0 H LEU A 70 26.344 31.438 23.328 1.00 3.07 H new ATOM 0 HA LEU A 70 25.934 33.687 22.126 1.00 10.20 H new ATOM 0 HB2 LEU A 70 24.733 32.252 24.324 1.00 6.93 H new ATOM 0 HB3 LEU A 70 24.130 33.622 23.886 1.00 6.93 H new ATOM 0 HG LEU A 70 23.993 31.203 22.282 1.00 17.78 H new ATOM 0 HD11 LEU A 70 21.677 31.263 22.457 1.00 26.67 H new ATOM 0 HD12 LEU A 70 22.331 31.135 23.893 1.00 26.67 H new ATOM 0 HD13 LEU A 70 21.766 32.530 23.402 1.00 26.67 H new ATOM 0 HD21 LEU A 70 23.012 32.503 20.582 1.00 18.60 H new ATOM 0 HD22 LEU A 70 23.228 33.808 21.453 1.00 18.60 H new ATOM 0 HD23 LEU A 70 24.478 33.025 20.876 1.00 18.60 H new ATOM 549 N VAL A 71 27.330 34.059 24.962 1.00 11.08 N ATOM 550 CA VAL A 71 28.142 35.097 25.827 1.00 18.12 C ATOM 551 C VAL A 71 29.440 35.768 25.151 1.00 18.27 C ATOM 552 O VAL A 71 29.775 37.032 25.075 1.00 13.31 O ATOM 553 CB VAL A 71 28.383 34.546 27.253 1.00 9.86 C ATOM 554 CG1 VAL A 71 29.342 35.602 28.096 1.00 9.44 C ATOM 555 CG2 VAL A 71 27.006 34.246 28.021 1.00 3.00 C ATOM 0 H VAL A 71 27.333 33.255 25.267 1.00 11.08 H new ATOM 0 HA VAL A 71 27.562 35.872 25.888 1.00 18.12 H new ATOM 0 HB VAL A 71 28.842 33.694 27.183 1.00 9.86 H new ATOM 0 HG11 VAL A 71 29.494 35.258 28.990 1.00 9.44 H new ATOM 0 HG12 VAL A 71 30.192 35.702 27.640 1.00 9.44 H new ATOM 0 HG13 VAL A 71 28.902 36.465 28.152 1.00 9.44 H new ATOM 0 HG21 VAL A 71 27.198 33.903 28.908 1.00 3.00 H new ATOM 0 HG22 VAL A 71 26.492 35.065 28.096 1.00 3.00 H new ATOM 0 HG23 VAL A 71 26.495 33.588 27.524 1.00 3.00 H new ATOM 556 N TYR A 72 30.081 34.919 24.520 1.00 15.25 N ATOM 557 CA TYR A 72 31.271 35.375 23.642 1.00 15.40 C ATOM 558 C TYR A 72 30.967 36.278 22.474 1.00 10.63 C ATOM 559 O TYR A 72 31.761 37.356 22.213 1.00 20.95 O ATOM 560 CB TYR A 72 31.792 34.051 23.197 1.00 9.00 C ATOM 561 CG TYR A 72 32.615 34.247 21.904 1.00 8.38 C ATOM 562 CD1 TYR A 72 32.031 33.681 20.758 1.00 21.73 C ATOM 563 CD2 TYR A 72 33.826 35.113 21.856 1.00 10.70 C ATOM 564 CE1 TYR A 72 32.676 33.958 19.545 1.00 29.51 C ATOM 565 CE2 TYR A 72 34.484 35.391 20.655 1.00 18.14 C ATOM 566 CZ TYR A 72 33.901 34.797 19.498 1.00 24.51 C ATOM 567 OH TYR A 72 34.546 35.096 18.239 1.00 34.21 O ATOM 0 H TYR A 72 29.923 34.074 24.523 1.00 15.25 H new ATOM 0 HA TYR A 72 31.879 35.946 24.137 1.00 15.40 H new ATOM 0 HB2 TYR A 72 32.345 33.658 23.890 1.00 9.00 H new ATOM 0 HB3 TYR A 72 31.058 33.438 23.038 1.00 9.00 H new ATOM 0 HD1 TYR A 72 31.265 33.156 20.802 1.00 21.73 H new ATOM 0 HD2 TYR A 72 34.153 35.478 22.646 1.00 10.70 H new ATOM 0 HE1 TYR A 72 32.331 33.610 18.755 1.00 29.51 H new ATOM 0 HE2 TYR A 72 35.245 35.924 20.614 1.00 18.14 H new ATOM 0 HH TYR A 72 35.220 35.578 18.377 1.00 34.21 H new ATOM 568 N GLU A 73 29.840 35.861 21.783 1.00 14.41 N ATOM 569 CA GLU A 73 29.459 36.694 20.710 1.00 9.05 C ATOM 570 C GLU A 73 29.068 38.020 21.210 1.00 12.28 C ATOM 571 O GLU A 73 29.334 39.053 20.483 1.00 19.34 O ATOM 572 CB GLU A 73 28.256 35.935 19.961 1.00 7.80 C ATOM 573 CG GLU A 73 28.691 34.773 19.181 1.00 22.60 C ATOM 574 CD GLU A 73 27.472 34.073 18.371 1.00 37.04 C ATOM 575 OE1 GLU A 73 27.692 33.197 17.550 1.00 37.97 O ATOM 576 OE2 GLU A 73 26.259 34.247 18.580 1.00 36.05 O ATOM 0 H GLU A 73 29.360 35.164 21.937 1.00 14.41 H new ATOM 0 HA GLU A 73 30.187 36.851 20.089 1.00 9.05 H new ATOM 0 HB2 GLU A 73 27.605 35.647 20.620 1.00 7.80 H new ATOM 0 HB3 GLU A 73 27.806 36.560 19.372 1.00 7.80 H new ATOM 0 HG2 GLU A 73 29.377 35.048 18.552 1.00 22.60 H new ATOM 0 HG3 GLU A 73 29.096 34.122 19.775 1.00 22.60 H new ATOM 577 N ALA A 74 28.503 38.009 22.414 1.00 8.88 N ATOM 578 CA ALA A 74 28.163 39.257 22.999 1.00 10.98 C ATOM 579 C ALA A 74 29.409 40.302 23.242 1.00 5.78 C ATOM 580 O ALA A 74 29.411 41.547 23.048 1.00 10.55 O ATOM 581 CB ALA A 74 27.506 38.930 24.371 1.00 10.72 C ATOM 0 H ALA A 74 28.321 37.309 22.879 1.00 8.88 H new ATOM 0 HA ALA A 74 27.581 39.716 22.374 1.00 10.98 H new ATOM 0 HB1 ALA A 74 27.254 39.755 24.814 1.00 10.72 H new ATOM 0 HB2 ALA A 74 26.716 38.385 24.230 1.00 10.72 H new ATOM 0 HB3 ALA A 74 28.138 38.446 24.925 1.00 10.72 H new ATOM 582 N ALA A 75 30.443 39.759 23.678 1.00 11.57 N ATOM 583 CA ALA A 75 31.741 40.583 23.977 1.00 10.85 C ATOM 584 C ALA A 75 32.400 41.278 22.739 1.00 11.50 C ATOM 585 O ALA A 75 32.980 42.490 22.762 1.00 17.66 O ATOM 586 CB ALA A 75 32.727 39.670 24.516 1.00 9.62 C ATOM 0 H ALA A 75 30.512 38.917 23.840 1.00 11.57 H new ATOM 0 HA ALA A 75 31.470 41.291 24.582 1.00 10.85 H new ATOM 0 HB1 ALA A 75 33.544 40.154 24.711 1.00 9.62 H new ATOM 0 HB2 ALA A 75 32.386 39.270 25.331 1.00 9.62 H new ATOM 0 HB3 ALA A 75 32.912 38.973 23.867 1.00 9.62 H new ATOM 587 N ILE A 76 32.296 40.508 21.677 1.00 17.74 N ATOM 588 CA ILE A 76 32.808 41.097 20.384 1.00 16.94 C ATOM 589 C ILE A 76 31.974 42.141 19.856 1.00 21.06 C ATOM 590 O ILE A 76 32.557 43.319 19.584 1.00 13.82 O ATOM 591 CB ILE A 76 32.833 39.981 19.310 1.00 17.84 C ATOM 592 CG1 ILE A 76 33.596 38.842 19.781 1.00 12.65 C ATOM 593 CG2 ILE A 76 33.351 40.579 17.953 1.00 18.99 C ATOM 594 CD1 ILE A 76 35.035 39.331 20.310 1.00 15.40 C ATOM 0 H ILE A 76 31.970 39.713 21.645 1.00 17.74 H new ATOM 0 HA ILE A 76 33.682 41.468 20.582 1.00 16.94 H new ATOM 0 HB ILE A 76 31.938 39.645 19.146 1.00 17.84 H new ATOM 0 HG12 ILE A 76 33.116 38.393 20.494 1.00 12.65 H new ATOM 0 HG13 ILE A 76 33.707 38.198 19.064 1.00 12.65 H new ATOM 0 HG21 ILE A 76 33.368 39.883 17.278 1.00 18.99 H new ATOM 0 HG22 ILE A 76 32.759 41.292 17.667 1.00 18.99 H new ATOM 0 HG23 ILE A 76 34.246 40.932 18.075 1.00 18.99 H new ATOM 0 HD11 ILE A 76 35.542 38.566 20.624 1.00 15.40 H new ATOM 0 HD12 ILE A 76 35.516 39.762 19.587 1.00 15.40 H new ATOM 0 HD13 ILE A 76 34.915 39.960 21.039 1.00 15.40 H new ATOM 595 N GLN A 77 30.627 41.774 19.890 1.00 4.26 N ATOM 596 CA GLN A 77 29.833 42.798 19.446 1.00 5.27 C ATOM 597 C GLN A 77 30.035 44.046 20.338 1.00 11.03 C ATOM 598 O GLN A 77 30.111 45.192 19.841 1.00 16.39 O ATOM 599 CB GLN A 77 28.365 42.072 19.324 1.00 10.31 C ATOM 600 CG GLN A 77 27.388 43.009 18.804 1.00 19.38 C ATOM 601 CD GLN A 77 26.049 42.129 18.469 1.00 26.25 C ATOM 602 OE1 GLN A 77 25.375 41.632 19.498 1.00 26.99 O flip ATOM 603 NE2 GLN A 77 25.801 41.708 17.297 1.00 11.35 N flip ATOM 0 H GLN A 77 30.267 41.034 20.139 1.00 4.26 H new ATOM 0 HA GLN A 77 30.025 43.198 18.583 1.00 5.27 H new ATOM 0 HB2 GLN A 77 28.426 41.300 18.740 1.00 10.31 H new ATOM 0 HB3 GLN A 77 28.083 41.749 20.194 1.00 10.31 H new ATOM 0 HG2 GLN A 77 27.193 43.703 19.453 1.00 19.38 H new ATOM 0 HG3 GLN A 77 27.721 43.451 18.007 1.00 19.38 H new ATOM 0 HE21 GLN A 77 26.234 42.026 16.625 1.00 11.35 H new ATOM 0 HE22 GLN A 77 25.200 41.105 17.175 1.00 11.35 H new ATOM 604 N LEU A 78 30.274 43.904 21.640 1.00 15.80 N ATOM 605 CA LEU A 78 30.511 45.157 22.490 1.00 13.92 C ATOM 606 C LEU A 78 31.839 46.064 22.166 1.00 7.28 C ATOM 607 O LEU A 78 31.906 47.318 22.059 1.00 22.08 O ATOM 608 CB LEU A 78 30.664 44.790 23.980 1.00 14.42 C ATOM 609 CG LEU A 78 29.309 44.455 24.703 1.00 12.78 C ATOM 610 CD1 LEU A 78 29.522 43.634 25.956 1.00 17.82 C ATOM 611 CD2 LEU A 78 28.729 45.765 25.041 1.00 5.62 C ATOM 0 H LEU A 78 30.309 43.155 22.061 1.00 15.80 H new ATOM 0 HA LEU A 78 29.726 45.681 22.267 1.00 13.92 H new ATOM 0 HB2 LEU A 78 31.257 44.026 24.055 1.00 14.42 H new ATOM 0 HB3 LEU A 78 31.092 45.528 24.442 1.00 14.42 H new ATOM 0 HG LEU A 78 28.731 43.922 24.135 1.00 12.78 H new ATOM 0 HD11 LEU A 78 28.665 43.449 26.371 1.00 17.82 H new ATOM 0 HD12 LEU A 78 29.956 42.798 25.725 1.00 17.82 H new ATOM 0 HD13 LEU A 78 30.081 44.128 26.576 1.00 17.82 H new ATOM 0 HD21 LEU A 78 27.881 45.636 25.495 1.00 5.62 H new ATOM 0 HD22 LEU A 78 29.337 46.248 25.623 1.00 5.62 H new ATOM 0 HD23 LEU A 78 28.586 46.275 24.228 1.00 5.62 H new ATOM 612 N GLU A 79 32.827 45.399 21.824 1.00 5.36 N ATOM 613 CA GLU A 79 34.140 46.108 21.435 1.00 9.13 C ATOM 614 C GLU A 79 34.142 46.773 20.057 1.00 17.30 C ATOM 615 O GLU A 79 34.723 47.961 19.943 1.00 17.60 O ATOM 616 CB GLU A 79 35.136 45.112 21.407 1.00 14.05 C ATOM 617 CG GLU A 79 36.635 45.811 21.293 1.00 11.80 C ATOM 618 CD GLU A 79 37.177 45.664 19.879 1.00 37.55 C ATOM 619 OE1 GLU A 79 36.789 44.582 19.230 1.00 32.87 O ATOM 620 OE2 GLU A 79 37.626 46.740 19.255 1.00 34.83 O ATOM 0 H GLU A 79 32.849 44.540 21.782 1.00 5.36 H new ATOM 0 HA GLU A 79 34.279 46.817 22.082 1.00 9.13 H new ATOM 0 HB2 GLU A 79 35.084 44.570 22.210 1.00 14.05 H new ATOM 0 HB3 GLU A 79 34.989 44.519 20.654 1.00 14.05 H new ATOM 0 HG2 GLU A 79 36.580 46.750 21.530 1.00 11.80 H new ATOM 0 HG3 GLU A 79 37.242 45.394 21.924 1.00 11.80 H new ATOM 621 N VAL A 80 33.471 46.071 19.069 1.00 13.33 N ATOM 622 CA VAL A 80 33.323 46.638 17.716 1.00 19.33 C ATOM 623 C VAL A 80 32.413 47.740 17.682 1.00 18.05 C ATOM 624 O VAL A 80 32.774 48.779 17.005 1.00 25.23 O ATOM 625 CB VAL A 80 32.764 45.426 16.775 1.00 5.27 C ATOM 626 CG1 VAL A 80 32.517 45.875 15.332 1.00 14.13 C ATOM 627 CG2 VAL A 80 33.901 44.572 16.738 1.00 8.32 C ATOM 0 H VAL A 80 33.115 45.296 19.178 1.00 13.33 H new ATOM 0 HA VAL A 80 34.175 46.983 17.408 1.00 19.33 H new ATOM 0 HB VAL A 80 31.931 45.056 17.108 1.00 5.27 H new ATOM 0 HG11 VAL A 80 32.187 45.126 14.812 1.00 14.13 H new ATOM 0 HG12 VAL A 80 31.860 46.589 15.323 1.00 14.13 H new ATOM 0 HG13 VAL A 80 33.347 46.195 14.946 1.00 14.13 H new ATOM 0 HG21 VAL A 80 33.702 43.791 16.198 1.00 8.32 H new ATOM 0 HG22 VAL A 80 34.652 45.049 16.352 1.00 8.32 H new ATOM 0 HG23 VAL A 80 34.125 44.292 17.639 1.00 8.32 H new ATOM 628 N THR A 81 31.208 47.439 18.237 1.00 6.31 N ATOM 629 CA THR A 81 30.129 48.212 18.025 1.00 8.02 C ATOM 630 C THR A 81 29.911 49.105 19.217 1.00 12.98 C ATOM 631 O THR A 81 29.189 50.024 19.073 1.00 19.52 O ATOM 632 CB THR A 81 28.807 47.274 17.626 1.00 10.90 C ATOM 633 OG1 THR A 81 28.191 46.517 18.742 1.00 20.33 O ATOM 634 CG2 THR A 81 28.960 46.183 16.606 1.00 12.18 C ATOM 0 H THR A 81 31.066 46.757 18.742 1.00 6.31 H new ATOM 0 HA THR A 81 30.273 48.795 17.263 1.00 8.02 H new ATOM 0 HB THR A 81 28.282 48.015 17.283 1.00 10.90 H new ATOM 0 HG1 THR A 81 28.792 46.130 19.184 1.00 20.33 H new ATOM 0 HG21 THR A 81 28.110 45.732 16.485 1.00 12.18 H new ATOM 0 HG22 THR A 81 29.246 46.567 15.762 1.00 12.18 H new ATOM 0 HG23 THR A 81 29.624 45.545 16.912 1.00 12.18 H new ATOM 635 N GLY A 82 30.240 48.625 20.399 1.00 7.91 N ATOM 636 CA GLY A 82 29.929 49.288 21.670 1.00 10.55 C ATOM 637 C GLY A 82 28.608 48.752 22.391 1.00 8.44 C ATOM 638 O GLY A 82 28.202 49.333 23.395 1.00 17.24 O ATOM 0 H GLY A 82 30.663 47.883 20.498 1.00 7.91 H new ATOM 0 HA2 GLY A 82 30.681 49.176 22.273 1.00 10.55 H new ATOM 0 HA3 GLY A 82 29.833 50.240 21.510 1.00 10.55 H new ATOM 639 N VAL A 83 27.809 47.825 21.779 1.00 14.85 N ATOM 640 CA VAL A 83 26.484 47.208 22.288 1.00 20.39 C ATOM 641 C VAL A 83 26.346 45.652 22.284 1.00 10.14 C ATOM 642 O VAL A 83 26.932 45.063 21.399 1.00 15.12 O ATOM 643 CB VAL A 83 25.251 47.755 21.587 1.00 12.69 C ATOM 644 CG1 VAL A 83 25.365 49.299 21.718 1.00 8.90 C ATOM 645 CG2 VAL A 83 25.024 47.291 20.103 1.00 11.92 C ATOM 0 H VAL A 83 28.022 47.508 21.008 1.00 14.85 H new ATOM 0 HA VAL A 83 26.535 47.486 23.216 1.00 20.39 H new ATOM 0 HB VAL A 83 24.459 47.393 22.014 1.00 12.69 H new ATOM 0 HG11 VAL A 83 24.603 49.718 21.288 1.00 8.90 H new ATOM 0 HG12 VAL A 83 25.381 49.544 22.656 1.00 8.90 H new ATOM 0 HG13 VAL A 83 26.182 49.601 21.291 1.00 8.90 H new ATOM 0 HG21 VAL A 83 24.214 47.698 19.757 1.00 11.92 H new ATOM 0 HG22 VAL A 83 25.780 47.563 19.559 1.00 11.92 H new ATOM 0 HG23 VAL A 83 24.937 46.325 20.075 1.00 11.92 H new ATOM 646 N VAL A 84 25.288 44.994 22.889 1.00 12.74 N ATOM 647 CA VAL A 84 24.641 43.616 22.491 1.00 15.10 C ATOM 648 C VAL A 84 23.310 43.715 21.770 1.00 4.05 C ATOM 649 O VAL A 84 22.475 44.341 22.321 1.00 17.19 O ATOM 650 CB VAL A 84 24.337 42.677 23.738 1.00 21.53 C ATOM 651 CG1 VAL A 84 23.696 41.217 23.402 1.00 10.26 C ATOM 652 CG2 VAL A 84 25.603 42.568 24.566 1.00 16.41 C ATOM 0 H VAL A 84 24.896 45.336 23.574 1.00 12.74 H new ATOM 0 HA VAL A 84 25.324 43.252 21.907 1.00 15.10 H new ATOM 0 HB VAL A 84 23.624 43.103 24.239 1.00 21.53 H new ATOM 0 HG11 VAL A 84 23.551 40.729 24.228 1.00 10.26 H new ATOM 0 HG12 VAL A 84 22.849 41.333 22.943 1.00 10.26 H new ATOM 0 HG13 VAL A 84 24.305 40.719 22.835 1.00 10.26 H new ATOM 0 HG21 VAL A 84 25.440 41.998 25.334 1.00 16.41 H new ATOM 0 HG22 VAL A 84 26.312 42.186 24.025 1.00 16.41 H new ATOM 0 HG23 VAL A 84 25.868 43.450 24.869 1.00 16.41 H new ATOM 653 N VAL A 85 23.205 43.226 20.519 1.00 13.55 N ATOM 654 CA VAL A 85 22.020 43.274 19.665 1.00 21.87 C ATOM 655 C VAL A 85 20.856 42.142 19.972 1.00 18.21 C ATOM 656 O VAL A 85 21.035 40.936 19.815 1.00 16.39 O ATOM 657 CB VAL A 85 22.399 43.231 18.156 1.00 21.17 C ATOM 658 CG1 VAL A 85 21.194 43.261 17.168 1.00 21.74 C ATOM 659 CG2 VAL A 85 23.546 44.407 17.872 1.00 28.98 C ATOM 0 H VAL A 85 23.867 42.837 20.132 1.00 13.55 H new ATOM 0 HA VAL A 85 21.619 44.127 19.893 1.00 21.87 H new ATOM 0 HB VAL A 85 22.780 42.360 17.965 1.00 21.17 H new ATOM 0 HG11 VAL A 85 21.522 43.231 16.256 1.00 21.74 H new ATOM 0 HG12 VAL A 85 20.623 42.494 17.331 1.00 21.74 H new ATOM 0 HG13 VAL A 85 20.686 44.076 17.302 1.00 21.74 H new ATOM 0 HG21 VAL A 85 23.796 44.396 16.935 1.00 28.98 H new ATOM 0 HG22 VAL A 85 23.181 45.277 18.099 1.00 28.98 H new ATOM 0 HG23 VAL A 85 24.329 44.233 18.417 1.00 28.98 H new ATOM 660 N THR A 86 19.707 42.523 20.329 1.00 24.74 N ATOM 661 CA THR A 86 18.511 41.514 20.576 1.00 36.40 C ATOM 662 C THR A 86 17.869 40.986 19.271 1.00 24.09 C ATOM 663 O THR A 86 17.312 41.761 18.542 1.00 37.66 O ATOM 664 CB THR A 86 17.401 42.106 21.365 1.00 40.49 C ATOM 665 OG1 THR A 86 17.960 42.914 22.472 1.00 41.88 O ATOM 666 CG2 THR A 86 16.248 40.958 21.774 1.00 39.18 C ATOM 0 H THR A 86 19.501 43.348 20.460 1.00 24.74 H new ATOM 0 HA THR A 86 18.935 40.791 21.064 1.00 36.40 H new ATOM 0 HB THR A 86 16.890 42.732 20.828 1.00 40.49 H new ATOM 0 HG1 THR A 86 17.333 43.251 22.918 1.00 41.88 H new ATOM 0 HG21 THR A 86 15.540 41.378 22.287 1.00 39.18 H new ATOM 0 HG22 THR A 86 15.875 40.571 20.966 1.00 39.18 H new ATOM 0 HG23 THR A 86 16.661 40.259 22.306 1.00 39.18 H new ATOM 667 N ASP A 87 17.994 39.768 18.963 1.00 24.18 N ATOM 668 CA ASP A 87 17.320 39.178 17.757 1.00 26.42 C ATOM 669 C ASP A 87 16.160 38.006 17.991 1.00 34.52 C ATOM 670 O ASP A 87 15.654 37.789 19.146 1.00 28.95 O ATOM 671 CB ASP A 87 18.345 38.760 16.779 1.00 12.11 C ATOM 672 CG ASP A 87 18.814 37.496 17.292 1.00 33.28 C ATOM 673 OD1 ASP A 87 18.661 37.211 18.514 1.00 40.42 O ATOM 674 OD2 ASP A 87 19.798 37.141 16.690 1.00 37.13 O ATOM 0 H ASP A 87 18.464 39.207 19.414 1.00 24.18 H new ATOM 0 HA ASP A 87 16.775 39.903 17.414 1.00 26.42 H new ATOM 0 HB2 ASP A 87 17.971 38.666 15.889 1.00 12.11 H new ATOM 0 HB3 ASP A 87 19.064 39.408 16.718 1.00 12.11 H new ATOM 675 N ALA A 88 15.717 37.322 16.905 1.00 31.88 N ATOM 676 CA ALA A 88 14.571 36.214 17.004 1.00 41.28 C ATOM 677 C ALA A 88 14.812 35.081 17.962 1.00 43.92 C ATOM 678 O ALA A 88 13.993 34.752 18.901 1.00 43.96 O ATOM 679 CB ALA A 88 14.152 35.614 15.637 1.00 38.44 C ATOM 0 H ALA A 88 16.022 37.442 16.110 1.00 31.88 H new ATOM 0 HA ALA A 88 13.847 36.747 17.369 1.00 41.28 H new ATOM 0 HB1 ALA A 88 13.456 34.952 15.774 1.00 38.44 H new ATOM 0 HB2 ALA A 88 13.817 36.320 15.062 1.00 38.44 H new ATOM 0 HB3 ALA A 88 14.920 35.194 15.219 1.00 38.44 H new ATOM 680 N THR A 89 15.992 34.692 17.851 1.00 23.05 N ATOM 681 CA THR A 89 16.526 33.727 18.772 1.00 22.50 C ATOM 682 C THR A 89 16.580 34.097 20.255 1.00 32.82 C ATOM 683 O THR A 89 16.103 33.239 21.115 1.00 33.03 O ATOM 684 CB THR A 89 17.976 33.724 18.352 1.00 32.55 C ATOM 685 OG1 THR A 89 17.925 33.306 16.981 1.00 46.96 O ATOM 686 CG2 THR A 89 18.700 32.783 19.190 1.00 39.28 C ATOM 0 H THR A 89 16.541 34.961 17.246 1.00 23.05 H new ATOM 0 HA THR A 89 15.979 32.927 18.728 1.00 22.50 H new ATOM 0 HB THR A 89 18.429 34.577 18.444 1.00 32.55 H new ATOM 0 HG1 THR A 89 18.704 33.279 16.667 1.00 46.96 H new ATOM 0 HG21 THR A 89 19.635 32.771 18.931 1.00 39.28 H new ATOM 0 HG22 THR A 89 18.626 33.053 20.119 1.00 39.28 H new ATOM 0 HG23 THR A 89 18.323 31.896 19.081 1.00 39.28 H new ATOM 687 N LEU A 90 16.921 35.364 20.571 1.00 22.28 N ATOM 688 CA LEU A 90 16.967 35.685 21.994 1.00 19.43 C ATOM 689 C LEU A 90 15.536 35.729 22.452 1.00 29.35 C ATOM 690 O LEU A 90 15.260 35.392 23.645 1.00 23.51 O ATOM 691 CB LEU A 90 17.858 37.075 22.281 1.00 20.38 C ATOM 692 CG LEU A 90 19.370 37.102 21.890 1.00 28.60 C ATOM 693 CD1 LEU A 90 20.287 38.412 22.344 1.00 37.50 C ATOM 694 CD2 LEU A 90 19.974 35.888 22.441 1.00 29.94 C ATOM 0 H LEU A 90 17.113 35.997 20.022 1.00 22.28 H new ATOM 0 HA LEU A 90 17.439 35.017 22.516 1.00 19.43 H new ATOM 0 HB2 LEU A 90 17.422 37.804 21.813 1.00 20.38 H new ATOM 0 HB3 LEU A 90 17.798 37.271 23.229 1.00 20.38 H new ATOM 0 HG LEU A 90 19.374 37.165 20.922 1.00 28.60 H new ATOM 0 HD11 LEU A 90 21.199 38.292 22.035 1.00 37.50 H new ATOM 0 HD12 LEU A 90 19.917 39.218 21.951 1.00 37.50 H new ATOM 0 HD13 LEU A 90 20.281 38.492 23.311 1.00 37.50 H new ATOM 0 HD21 LEU A 90 20.918 35.867 22.219 1.00 29.94 H new ATOM 0 HD22 LEU A 90 19.869 35.883 23.405 1.00 29.94 H new ATOM 0 HD23 LEU A 90 19.536 35.109 22.064 1.00 29.94 H new ATOM 695 N LYS A 91 14.708 36.193 21.524 1.00 26.92 N ATOM 696 CA LYS A 91 13.261 36.294 21.829 1.00 35.62 C ATOM 697 C LYS A 91 12.529 34.888 22.214 1.00 30.48 C ATOM 698 O LYS A 91 11.671 34.639 23.137 1.00 35.16 O ATOM 699 CB LYS A 91 12.525 36.801 20.597 1.00 28.53 C ATOM 700 CG LYS A 91 12.975 38.306 20.207 1.00 33.56 C ATOM 701 CD LYS A 91 11.819 39.154 20.279 0.00 0.00 C ATOM 702 CE LYS A 91 12.329 40.649 19.940 0.00 0.00 C ATOM 703 NZ LYS A 91 12.932 40.756 18.598 0.00 0.00 N ATOM 0 H LYS A 91 14.940 36.449 20.736 1.00 26.92 H new ATOM 0 HA LYS A 91 13.218 36.883 22.598 1.00 35.62 H new ATOM 0 HB2 LYS A 91 12.698 36.207 19.850 1.00 28.53 H new ATOM 0 HB3 LYS A 91 11.569 36.781 20.760 1.00 28.53 H new ATOM 0 HG2 LYS A 91 13.664 38.621 20.813 1.00 33.56 H new ATOM 0 HG3 LYS A 91 13.353 38.325 19.314 1.00 33.56 H new ATOM 0 HD2 LYS A 91 11.141 38.868 19.647 0.00 0.00 H new ATOM 0 HD3 LYS A 91 11.418 39.117 21.161 0.00 0.00 H new ATOM 0 HE2 LYS A 91 11.581 41.264 20.004 0.00 0.00 H new ATOM 0 HE3 LYS A 91 12.980 40.923 20.605 0.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.197 41.594 18.457 0.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.633 40.211 18.543 0.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.330 40.528 17.983 0.00 0.00 H new ATOM 704 N ASN A 92 12.932 33.978 21.489 1.00 15.45 N ATOM 705 CA ASN A 92 12.378 32.573 21.629 1.00 20.51 C ATOM 706 C ASN A 92 12.937 31.940 22.850 1.00 22.85 C ATOM 707 O ASN A 92 12.106 31.191 23.602 1.00 27.27 O ATOM 708 CB ASN A 92 12.669 31.794 20.386 1.00 23.78 C ATOM 709 CG ASN A 92 11.920 30.336 20.581 1.00 51.38 C ATOM 710 OD1 ASN A 92 10.642 30.107 20.637 1.00 52.65 O ATOM 711 ND2 ASN A 92 12.664 29.480 21.071 1.00 49.42 N ATOM 0 H ASN A 92 13.530 34.071 20.878 1.00 15.45 H new ATOM 0 HA ASN A 92 11.414 32.595 21.733 1.00 20.51 H new ATOM 0 HB2 ASN A 92 12.334 32.255 19.601 1.00 23.78 H new ATOM 0 HB3 ASN A 92 13.624 31.680 20.263 1.00 23.78 H new ATOM 0 HD21 ASN A 92 12.329 28.773 21.428 1.00 49.42 H new ATOM 0 HD22 ASN A 92 13.517 29.592 21.055 1.00 49.42 H new ATOM 712 N LEU A 93 14.250 32.399 23.111 1.00 20.37 N ATOM 713 CA LEU A 93 14.855 31.978 24.373 1.00 17.51 C ATOM 714 C LEU A 93 14.151 32.418 25.572 1.00 14.08 C ATOM 715 O LEU A 93 14.040 31.616 26.542 1.00 22.18 O ATOM 716 CB LEU A 93 16.344 32.494 24.679 1.00 13.45 C ATOM 717 CG LEU A 93 17.249 31.715 23.862 1.00 28.48 C ATOM 718 CD1 LEU A 93 18.738 32.127 24.237 1.00 32.83 C ATOM 719 CD2 LEU A 93 16.792 30.183 24.015 1.00 37.04 C ATOM 0 H LEU A 93 14.727 32.901 22.601 1.00 20.37 H new ATOM 0 HA LEU A 93 14.823 31.021 24.216 1.00 17.51 H new ATOM 0 HB2 LEU A 93 16.427 33.439 24.475 1.00 13.45 H new ATOM 0 HB3 LEU A 93 16.556 32.388 25.620 1.00 13.45 H new ATOM 0 HG LEU A 93 17.221 31.882 22.907 1.00 28.48 H new ATOM 0 HD11 LEU A 93 19.361 31.614 23.699 1.00 32.83 H new ATOM 0 HD12 LEU A 93 18.865 33.073 24.065 1.00 32.83 H new ATOM 0 HD13 LEU A 93 18.897 31.945 25.176 1.00 32.83 H new ATOM 0 HD21 LEU A 93 17.372 29.617 23.482 1.00 37.04 H new ATOM 0 HD22 LEU A 93 16.850 29.919 24.947 1.00 37.04 H new ATOM 0 HD23 LEU A 93 15.877 30.086 23.709 1.00 37.04 H new ATOM 720 N GLY A 94 13.717 33.591 25.504 1.00 18.49 N ATOM 721 CA GLY A 94 12.991 34.073 26.639 1.00 13.69 C ATOM 722 C GLY A 94 11.673 33.117 26.854 1.00 18.11 C ATOM 723 O GLY A 94 11.240 32.865 28.016 1.00 26.70 O ATOM 0 H GLY A 94 13.812 34.135 24.844 1.00 18.49 H new ATOM 0 HA2 GLY A 94 13.552 34.058 27.430 1.00 13.69 H new ATOM 0 HA3 GLY A 94 12.721 34.994 26.501 1.00 13.69 H new ATOM 724 N SER A 95 11.007 32.686 25.752 1.00 26.36 N ATOM 725 CA SER A 95 9.709 31.775 25.866 1.00 29.62 C ATOM 726 C SER A 95 9.886 30.418 26.503 1.00 25.93 C ATOM 727 O SER A 95 9.135 29.928 27.448 1.00 31.04 O ATOM 728 CB SER A 95 9.086 31.541 24.461 1.00 29.50 C ATOM 729 OG SER A 95 7.894 30.559 24.592 1.00 50.33 O ATOM 0 H SER A 95 11.240 32.874 24.946 1.00 26.36 H new ATOM 0 HA SER A 95 9.137 32.286 26.460 1.00 29.62 H new ATOM 0 HB2 SER A 95 8.786 32.383 24.083 1.00 29.50 H new ATOM 0 HB3 SER A 95 9.752 31.180 23.855 1.00 29.50 H new ATOM 0 HG SER A 95 7.553 30.430 23.835 1.00 50.33 H new ATOM 730 N VAL A 96 10.860 29.835 25.992 1.00 16.97 N ATOM 731 CA VAL A 96 11.121 28.512 26.467 1.00 6.61 C ATOM 732 C VAL A 96 11.591 28.504 27.921 1.00 24.65 C ATOM 733 O VAL A 96 11.103 27.521 28.659 1.00 21.80 O ATOM 734 CB VAL A 96 12.065 27.837 25.538 1.00 16.65 C ATOM 735 CG1 VAL A 96 13.172 28.817 24.859 1.00 43.93 C ATOM 736 CG2 VAL A 96 12.749 26.731 26.246 1.00 30.87 C ATOM 0 H VAL A 96 11.387 30.145 25.387 1.00 16.97 H new ATOM 0 HA VAL A 96 10.294 28.005 26.473 1.00 6.61 H new ATOM 0 HB VAL A 96 11.523 27.506 24.805 1.00 16.65 H new ATOM 0 HG11 VAL A 96 13.745 28.300 24.271 1.00 43.93 H new ATOM 0 HG12 VAL A 96 12.723 29.508 24.347 1.00 43.93 H new ATOM 0 HG13 VAL A 96 13.710 29.228 25.554 1.00 43.93 H new ATOM 0 HG21 VAL A 96 13.365 26.290 25.640 1.00 30.87 H new ATOM 0 HG22 VAL A 96 13.240 27.086 27.004 1.00 30.87 H new ATOM 0 HG23 VAL A 96 12.091 26.091 26.559 1.00 30.87 H new ATOM 737 N HIS A 97 12.233 29.661 28.396 1.00 15.56 N ATOM 738 CA HIS A 97 12.562 29.772 29.822 1.00 11.66 C ATOM 739 C HIS A 97 11.357 29.830 30.721 1.00 12.05 C ATOM 740 O HIS A 97 11.180 29.088 31.753 1.00 22.92 O ATOM 741 CB HIS A 97 13.732 30.939 30.143 1.00 16.17 C ATOM 742 CG HIS A 97 15.075 30.530 29.617 1.00 16.56 C ATOM 743 ND1 HIS A 97 15.666 31.032 28.443 1.00 26.34 N ATOM 744 CD2 HIS A 97 15.788 29.618 30.055 1.00 8.93 C ATOM 745 CE1 HIS A 97 16.769 30.425 28.146 1.00 14.51 C ATOM 746 NE2 HIS A 97 16.852 29.553 29.178 1.00 4.41 N ATOM 0 H HIS A 97 12.459 30.334 27.911 1.00 15.56 H new ATOM 0 HA HIS A 97 12.985 28.931 30.057 1.00 11.66 H new ATOM 0 HB2 HIS A 97 13.469 31.782 29.741 1.00 16.17 H new ATOM 0 HB3 HIS A 97 13.789 31.087 31.100 1.00 16.17 H new ATOM 0 HD1 HIS A 97 15.331 31.671 27.975 1.00 26.34 H new ATOM 0 HD2 HIS A 97 15.640 29.093 30.808 1.00 8.93 H new ATOM 0 HE1 HIS A 97 17.344 30.552 27.426 1.00 14.51 H new ATOM 747 N VAL A 98 10.510 30.589 30.293 1.00 15.57 N ATOM 748 CA VAL A 98 9.298 30.700 31.088 1.00 10.21 C ATOM 749 C VAL A 98 8.459 29.291 31.210 1.00 14.97 C ATOM 750 O VAL A 98 8.026 28.850 32.336 1.00 21.48 O ATOM 751 CB VAL A 98 8.484 31.686 30.366 1.00 8.80 C ATOM 752 CG1 VAL A 98 7.134 31.721 31.051 1.00 25.28 C ATOM 753 CG2 VAL A 98 9.299 33.084 30.567 1.00 14.92 C ATOM 0 H VAL A 98 10.554 31.062 29.576 1.00 15.57 H new ATOM 0 HA VAL A 98 9.516 30.948 32.000 1.00 10.21 H new ATOM 0 HB VAL A 98 8.341 31.502 29.425 1.00 8.80 H new ATOM 0 HG11 VAL A 98 6.561 32.363 30.604 1.00 25.28 H new ATOM 0 HG12 VAL A 98 6.727 30.841 31.010 1.00 25.28 H new ATOM 0 HG13 VAL A 98 7.248 31.981 31.979 1.00 25.28 H new ATOM 0 HG21 VAL A 98 8.827 33.802 30.116 1.00 14.92 H new ATOM 0 HG22 VAL A 98 9.367 33.286 31.513 1.00 14.92 H new ATOM 0 HG23 VAL A 98 10.189 32.997 30.191 1.00 14.92 H new ATOM 754 N SER A 99 8.311 28.604 30.079 1.00 24.38 N ATOM 755 CA SER A 99 7.552 27.201 30.012 1.00 24.47 C ATOM 756 C SER A 99 8.114 26.209 30.904 1.00 30.55 C ATOM 757 O SER A 99 7.320 25.240 31.369 1.00 33.58 O ATOM 758 CB SER A 99 7.578 26.561 28.630 1.00 18.50 C ATOM 759 OG SER A 99 6.877 27.378 27.750 1.00 50.79 O ATOM 0 H SER A 99 8.613 28.872 29.320 1.00 24.38 H new ATOM 0 HA SER A 99 6.646 27.434 30.268 1.00 24.47 H new ATOM 0 HB2 SER A 99 8.493 26.448 28.328 1.00 18.50 H new ATOM 0 HB3 SER A 99 7.178 25.678 28.660 1.00 18.50 H new ATOM 0 HG SER A 99 6.885 27.036 26.983 1.00 50.79 H new ATOM 760 N LYS A 100 9.403 26.433 31.132 1.00 22.48 N ATOM 761 CA LYS A 100 10.015 25.467 31.946 1.00 11.91 C ATOM 762 C LYS A 100 10.102 25.832 33.426 1.00 14.63 C ATOM 763 O LYS A 100 10.715 25.148 34.193 1.00 31.16 O ATOM 764 CB LYS A 100 11.474 25.425 31.495 1.00 24.38 C ATOM 765 CG LYS A 100 11.543 24.826 30.105 1.00 36.60 C ATOM 766 CD LYS A 100 10.736 23.391 30.032 1.00 48.83 C ATOM 767 CE LYS A 100 10.960 22.650 28.720 1.00 45.01 C ATOM 768 NZ LYS A 100 10.326 21.226 28.791 0.00 0.00 N ATOM 0 H LYS A 100 9.885 27.084 30.844 1.00 22.48 H new ATOM 0 HA LYS A 100 9.494 24.653 31.861 1.00 11.91 H new ATOM 0 HB2 LYS A 100 11.850 26.319 31.494 1.00 24.38 H new ATOM 0 HB3 LYS A 100 12.001 24.896 32.114 1.00 24.38 H new ATOM 0 HG2 LYS A 100 11.163 25.447 29.464 1.00 36.60 H new ATOM 0 HG3 LYS A 100 12.470 24.691 29.854 1.00 36.60 H new ATOM 0 HD2 LYS A 100 11.020 22.828 30.769 1.00 48.83 H new ATOM 0 HD3 LYS A 100 9.787 23.553 30.149 1.00 48.83 H new ATOM 0 HE2 LYS A 100 10.568 23.150 27.987 1.00 45.01 H new ATOM 0 HE3 LYS A 100 11.910 22.580 28.539 1.00 45.01 H new ATOM 0 HZ1 LYS A 100 10.462 20.802 28.021 0.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.702 20.766 29.453 0.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.451 21.297 28.940 0.00 0.00 H new ATOM 769 N GLY A 101 9.538 26.850 33.829 1.00 20.93 N ATOM 770 CA GLY A 101 9.621 27.246 35.231 1.00 18.90 C ATOM 771 C GLY A 101 10.964 28.031 35.718 1.00 22.40 C ATOM 772 O GLY A 101 11.233 28.052 36.948 1.00 20.49 O ATOM 0 H GLY A 101 9.075 27.377 33.332 1.00 20.93 H new ATOM 0 HA2 GLY A 101 8.857 27.811 35.427 1.00 18.90 H new ATOM 0 HA3 GLY A 101 9.529 26.447 35.773 1.00 18.90 H new ATOM 773 N VAL A 102 11.745 28.733 34.810 1.00 20.12 N ATOM 774 CA VAL A 102 13.031 29.591 35.155 1.00 8.46 C ATOM 775 C VAL A 102 12.759 30.982 35.556 1.00 13.28 C ATOM 776 O VAL A 102 11.833 31.439 34.940 1.00 20.99 O ATOM 777 CB VAL A 102 13.965 29.690 33.938 1.00 12.07 C ATOM 778 CG1 VAL A 102 15.345 30.602 34.168 1.00 7.10 C ATOM 779 CG2 VAL A 102 14.173 28.252 33.523 1.00 12.20 C ATOM 0 H VAL A 102 11.564 28.740 33.969 1.00 20.12 H new ATOM 0 HA VAL A 102 13.426 29.117 35.903 1.00 8.46 H new ATOM 0 HB VAL A 102 13.573 30.207 33.217 1.00 12.07 H new ATOM 0 HG11 VAL A 102 15.869 30.607 33.352 1.00 7.10 H new ATOM 0 HG12 VAL A 102 15.098 31.511 34.399 1.00 7.10 H new ATOM 0 HG13 VAL A 102 15.871 30.218 34.887 1.00 7.10 H new ATOM 0 HG21 VAL A 102 14.759 28.219 32.750 1.00 12.20 H new ATOM 0 HG22 VAL A 102 14.576 27.759 34.255 1.00 12.20 H new ATOM 0 HG23 VAL A 102 13.318 27.853 33.297 1.00 12.20 H new ATOM 780 N ALA A 103 13.346 31.527 36.664 1.00 11.54 N ATOM 781 CA ALA A 103 13.124 32.874 37.095 1.00 3.00 C ATOM 782 C ALA A 103 14.482 33.785 37.118 1.00 7.17 C ATOM 783 O ALA A 103 15.545 33.274 36.912 1.00 10.21 O ATOM 784 CB ALA A 103 12.520 32.752 38.486 1.00 8.93 C ATOM 0 H ALA A 103 13.886 31.090 37.170 1.00 11.54 H new ATOM 0 HA ALA A 103 12.540 33.335 36.472 1.00 3.00 H new ATOM 0 HB1 ALA A 103 12.343 33.637 38.841 1.00 8.93 H new ATOM 0 HB2 ALA A 103 11.690 32.252 38.436 1.00 8.93 H new ATOM 0 HB3 ALA A 103 13.141 32.289 39.069 1.00 8.93 H new ATOM 785 N ASP A 104 14.462 35.085 37.175 1.00 11.85 N ATOM 786 CA ASP A 104 15.709 36.033 37.192 1.00 14.50 C ATOM 787 C ASP A 104 16.707 35.613 38.213 1.00 22.85 C ATOM 788 O ASP A 104 17.938 35.999 38.001 1.00 22.47 O ATOM 789 CB ASP A 104 15.458 37.453 37.628 1.00 20.66 C ATOM 790 CG ASP A 104 14.589 38.015 36.585 1.00 38.49 C ATOM 791 OD1 ASP A 104 14.389 39.232 36.610 1.00 45.20 O ATOM 792 OD2 ASP A 104 14.481 37.408 35.500 1.00 43.33 O ATOM 0 H ASP A 104 13.722 35.522 37.208 1.00 11.85 H new ATOM 0 HA ASP A 104 15.990 35.980 36.265 1.00 14.50 H new ATOM 0 HB2 ASP A 104 15.030 37.484 38.498 1.00 20.66 H new ATOM 0 HB3 ASP A 104 16.287 37.951 37.702 1.00 20.66 H new ATOM 793 N ALA A 105 16.234 35.063 39.373 1.00 13.25 N ATOM 794 CA ALA A 105 17.159 34.849 40.500 1.00 11.76 C ATOM 795 C ALA A 105 17.941 33.706 40.160 1.00 10.66 C ATOM 796 O ALA A 105 18.973 33.536 40.800 1.00 17.83 O ATOM 797 CB ALA A 105 16.411 34.534 41.849 1.00 6.14 C ATOM 0 H ALA A 105 15.420 34.822 39.511 1.00 13.25 H new ATOM 0 HA ALA A 105 17.681 35.655 40.638 1.00 11.76 H new ATOM 0 HB1 ALA A 105 17.061 34.402 42.557 1.00 6.14 H new ATOM 0 HB2 ALA A 105 15.831 35.277 42.078 1.00 6.14 H new ATOM 0 HB3 ALA A 105 15.880 33.729 41.744 1.00 6.14 H new ATOM 798 N HIS A 106 17.515 32.967 39.127 1.00 15.53 N ATOM 799 CA HIS A 106 18.286 31.866 38.720 1.00 12.60 C ATOM 800 C HIS A 106 19.609 32.398 38.012 1.00 20.91 C ATOM 801 O HIS A 106 20.516 31.652 37.956 1.00 15.11 O ATOM 802 CB HIS A 106 17.525 30.851 37.694 1.00 11.50 C ATOM 803 CG HIS A 106 16.427 29.782 38.326 1.00 9.82 C ATOM 804 ND1 HIS A 106 15.050 29.833 38.152 1.00 14.79 N ATOM 805 CD2 HIS A 106 16.563 28.724 39.105 1.00 12.81 C ATOM 806 CE1 HIS A 106 14.289 28.760 38.863 1.00 15.41 C ATOM 807 NE2 HIS A 106 15.257 28.046 39.466 1.00 15.65 N ATOM 0 H HIS A 106 16.795 33.106 38.677 1.00 15.53 H new ATOM 0 HA HIS A 106 18.475 31.357 39.524 1.00 12.60 H new ATOM 0 HB2 HIS A 106 17.067 31.389 37.029 1.00 11.50 H new ATOM 0 HB3 HIS A 106 18.203 30.339 37.226 1.00 11.50 H new ATOM 0 HD2 HIS A 106 17.389 28.421 39.406 1.00 12.81 H new ATOM 0 HE1 HIS A 106 13.370 28.620 38.883 1.00 15.41 H new ATOM 0 HE2 HIS A 106 15.155 27.347 39.957 1.00 15.65 H new ATOM 808 N PHE A 107 19.632 33.528 37.328 1.00 17.09 N ATOM 809 CA PHE A 107 20.831 34.101 36.520 1.00 23.42 C ATOM 810 C PHE A 107 22.179 34.270 37.283 1.00 15.19 C ATOM 811 O PHE A 107 23.215 34.041 36.671 1.00 9.26 O ATOM 812 CB PHE A 107 20.633 35.419 35.760 1.00 21.32 C ATOM 813 CG PHE A 107 19.654 35.079 34.577 1.00 18.37 C ATOM 814 CD1 PHE A 107 18.261 34.886 34.767 1.00 17.49 C ATOM 815 CD2 PHE A 107 20.194 34.914 33.318 1.00 10.22 C ATOM 816 CE1 PHE A 107 17.361 34.467 33.691 1.00 17.29 C ATOM 817 CE2 PHE A 107 19.310 34.472 32.235 1.00 16.16 C ATOM 818 CZ PHE A 107 17.881 34.223 32.436 1.00 14.04 C ATOM 0 H PHE A 107 18.943 34.041 37.289 1.00 17.09 H new ATOM 0 HA PHE A 107 20.874 33.365 35.889 1.00 23.42 H new ATOM 0 HB2 PHE A 107 20.259 36.102 36.338 1.00 21.32 H new ATOM 0 HB3 PHE A 107 21.478 35.760 35.427 1.00 21.32 H new ATOM 0 HD1 PHE A 107 17.904 35.032 35.613 1.00 17.49 H new ATOM 0 HD2 PHE A 107 21.096 35.079 33.160 1.00 10.22 H new ATOM 0 HE1 PHE A 107 16.450 34.367 33.851 1.00 17.29 H new ATOM 0 HE2 PHE A 107 19.671 34.345 31.387 1.00 16.16 H new ATOM 0 HZ PHE A 107 17.344 33.912 31.744 1.00 14.04 H new ATOM 819 N PRO A 108 22.264 34.734 38.531 1.00 12.25 N ATOM 820 CA PRO A 108 23.624 34.949 39.125 1.00 6.47 C ATOM 821 C PRO A 108 24.115 33.582 39.281 1.00 12.08 C ATOM 822 O PRO A 108 25.348 33.537 39.458 1.00 13.61 O ATOM 823 CB PRO A 108 23.416 35.567 40.504 1.00 14.35 C ATOM 824 CG PRO A 108 22.169 36.263 40.336 1.00 4.17 C ATOM 825 CD PRO A 108 21.310 35.405 39.290 1.00 3.00 C ATOM 0 HA PRO A 108 24.218 35.515 38.608 1.00 6.47 H new ATOM 0 HB2 PRO A 108 23.365 34.893 41.200 1.00 14.35 H new ATOM 0 HB3 PRO A 108 24.138 36.169 40.745 1.00 14.35 H new ATOM 0 HG2 PRO A 108 21.702 36.345 41.182 1.00 4.17 H new ATOM 0 HG3 PRO A 108 22.317 37.163 40.006 1.00 4.17 H new ATOM 0 HD2 PRO A 108 20.718 34.785 39.743 1.00 3.00 H new ATOM 0 HD3 PRO A 108 20.754 35.975 38.736 1.00 3.00 H new ATOM 826 N VAL A 109 23.163 32.480 39.328 1.00 12.85 N ATOM 827 CA VAL A 109 23.506 31.086 39.473 1.00 6.84 C ATOM 828 C VAL A 109 24.282 30.653 38.301 1.00 18.92 C ATOM 829 O VAL A 109 25.396 30.210 38.452 1.00 13.05 O ATOM 830 CB VAL A 109 22.255 29.963 39.655 1.00 13.26 C ATOM 831 CG1 VAL A 109 22.635 28.514 39.543 1.00 10.50 C ATOM 832 CG2 VAL A 109 21.497 30.154 40.966 1.00 10.15 C ATOM 0 H VAL A 109 22.315 32.608 39.270 1.00 12.85 H new ATOM 0 HA VAL A 109 23.986 31.078 40.316 1.00 6.84 H new ATOM 0 HB VAL A 109 21.694 30.161 38.889 1.00 13.26 H new ATOM 0 HG11 VAL A 109 21.846 27.962 39.663 1.00 10.50 H new ATOM 0 HG12 VAL A 109 23.017 28.346 38.667 1.00 10.50 H new ATOM 0 HG13 VAL A 109 23.288 28.297 40.227 1.00 10.50 H new ATOM 0 HG21 VAL A 109 20.791 29.492 41.031 1.00 10.15 H new ATOM 0 HG22 VAL A 109 22.108 30.048 41.712 1.00 10.15 H new ATOM 0 HG23 VAL A 109 21.110 31.043 40.990 1.00 10.15 H new ATOM 833 N VAL A 110 23.697 30.805 37.157 1.00 13.44 N ATOM 834 CA VAL A 110 24.407 30.450 35.915 1.00 17.32 C ATOM 835 C VAL A 110 25.700 31.479 35.666 1.00 9.61 C ATOM 836 O VAL A 110 26.723 31.052 35.239 1.00 9.24 O ATOM 837 CB VAL A 110 23.424 30.300 34.671 1.00 15.17 C ATOM 838 CG1 VAL A 110 24.073 30.145 33.277 1.00 5.68 C ATOM 839 CG2 VAL A 110 22.267 29.132 34.836 1.00 5.82 C ATOM 0 H VAL A 110 22.899 31.107 37.050 1.00 13.44 H new ATOM 0 HA VAL A 110 24.785 29.563 36.017 1.00 17.32 H new ATOM 0 HB VAL A 110 23.010 31.177 34.697 1.00 15.17 H new ATOM 0 HG11 VAL A 110 23.379 30.063 32.604 1.00 5.68 H new ATOM 0 HG12 VAL A 110 24.618 30.924 33.085 1.00 5.68 H new ATOM 0 HG13 VAL A 110 24.630 29.351 33.266 1.00 5.68 H new ATOM 0 HG21 VAL A 110 21.715 29.108 34.039 1.00 5.82 H new ATOM 0 HG22 VAL A 110 22.693 28.269 34.960 1.00 5.82 H new ATOM 0 HG23 VAL A 110 21.713 29.332 35.606 1.00 5.82 H new ATOM 840 N LYS A 111 25.758 32.755 36.090 1.00 11.44 N ATOM 841 CA LYS A 111 27.018 33.734 35.924 1.00 5.44 C ATOM 842 C LYS A 111 28.201 33.236 36.641 1.00 9.61 C ATOM 843 O LYS A 111 29.303 33.174 36.023 1.00 6.21 O ATOM 844 CB LYS A 111 26.766 35.131 36.473 1.00 6.48 C ATOM 845 CG LYS A 111 27.977 36.272 36.312 1.00 14.80 C ATOM 846 CD LYS A 111 27.518 37.550 36.916 1.00 10.15 C ATOM 847 CE LYS A 111 28.631 38.748 36.854 1.00 24.07 C ATOM 848 NZ LYS A 111 27.938 39.907 37.177 1.00 33.77 N ATOM 0 H LYS A 111 25.097 33.133 36.490 1.00 11.44 H new ATOM 0 HA LYS A 111 27.165 33.765 34.966 1.00 5.44 H new ATOM 0 HB2 LYS A 111 25.970 35.480 36.042 1.00 6.48 H new ATOM 0 HB3 LYS A 111 26.562 35.046 37.418 1.00 6.48 H new ATOM 0 HG2 LYS A 111 28.787 35.966 36.750 1.00 14.80 H new ATOM 0 HG3 LYS A 111 28.193 36.402 35.375 1.00 14.80 H new ATOM 0 HD2 LYS A 111 26.714 37.843 36.459 1.00 10.15 H new ATOM 0 HD3 LYS A 111 27.277 37.392 37.842 1.00 10.15 H new ATOM 0 HE2 LYS A 111 29.355 38.587 37.480 1.00 24.07 H new ATOM 0 HE3 LYS A 111 29.028 38.812 35.971 1.00 24.07 H new ATOM 0 HZ1 LYS A 111 28.510 40.586 37.245 1.00 33.77 H new ATOM 0 HZ2 LYS A 111 27.342 40.084 36.540 1.00 33.77 H new ATOM 0 HZ3 LYS A 111 27.517 39.795 37.953 1.00 33.77 H new ATOM 849 N GLU A 112 27.984 32.915 37.927 1.00 7.88 N ATOM 850 CA GLU A 112 29.055 32.505 38.772 1.00 10.35 C ATOM 851 C GLU A 112 29.496 31.207 38.301 1.00 8.75 C ATOM 852 O GLU A 112 30.721 31.121 38.167 1.00 9.12 O ATOM 853 CB GLU A 112 28.774 32.382 40.290 1.00 4.38 C ATOM 854 CG GLU A 112 28.503 33.757 40.876 1.00 16.53 C ATOM 855 CD GLU A 112 29.697 34.842 40.503 1.00 26.38 C ATOM 856 OE1 GLU A 112 30.864 34.705 40.908 1.00 18.74 O ATOM 857 OE2 GLU A 112 29.457 35.987 40.135 1.00 18.64 O ATOM 0 H GLU A 112 27.213 32.936 38.308 1.00 7.88 H new ATOM 0 HA GLU A 112 29.709 33.219 38.708 1.00 10.35 H new ATOM 0 HB2 GLU A 112 28.012 31.801 40.440 1.00 4.38 H new ATOM 0 HB3 GLU A 112 29.533 31.975 40.736 1.00 4.38 H new ATOM 0 HG2 GLU A 112 27.653 34.087 40.544 1.00 16.53 H new ATOM 0 HG3 GLU A 112 28.422 33.686 41.840 1.00 16.53 H new ATOM 858 N ALA A 113 28.536 30.376 37.738 1.00 13.08 N ATOM 859 CA ALA A 113 28.860 29.110 37.209 1.00 3.42 C ATOM 860 C ALA A 113 29.685 29.286 35.931 1.00 4.55 C ATOM 861 O ALA A 113 30.639 28.615 35.862 1.00 5.34 O ATOM 862 CB ALA A 113 27.545 28.102 37.021 1.00 6.28 C ATOM 0 H ALA A 113 27.703 30.580 37.680 1.00 13.08 H new ATOM 0 HA ALA A 113 29.407 28.644 37.861 1.00 3.42 H new ATOM 0 HB1 ALA A 113 27.838 27.253 36.655 1.00 6.28 H new ATOM 0 HB2 ALA A 113 27.124 27.955 37.882 1.00 6.28 H new ATOM 0 HB3 ALA A 113 26.907 28.512 36.416 1.00 6.28 H new ATOM 863 N ILE A 114 29.436 30.215 35.027 1.00 19.11 N ATOM 864 CA ILE A 114 30.273 30.561 33.802 1.00 8.08 C ATOM 865 C ILE A 114 31.684 31.285 34.204 1.00 8.09 C ATOM 866 O ILE A 114 32.700 30.916 33.674 1.00 10.33 O ATOM 867 CB ILE A 114 29.613 31.524 32.877 1.00 3.00 C ATOM 868 CG1 ILE A 114 28.302 30.752 32.263 1.00 3.39 C ATOM 869 CG2 ILE A 114 30.667 32.200 31.828 1.00 4.68 C ATOM 870 CD1 ILE A 114 27.602 31.611 31.303 1.00 13.11 C ATOM 0 H ILE A 114 28.737 30.712 35.084 1.00 19.11 H new ATOM 0 HA ILE A 114 30.403 29.700 33.374 1.00 8.08 H new ATOM 0 HB ILE A 114 29.286 32.320 33.325 1.00 3.00 H new ATOM 0 HG12 ILE A 114 28.578 29.930 31.828 1.00 3.39 H new ATOM 0 HG13 ILE A 114 27.700 30.504 32.982 1.00 3.39 H new ATOM 0 HG21 ILE A 114 30.195 32.818 31.248 1.00 4.68 H new ATOM 0 HG22 ILE A 114 31.352 32.679 32.321 1.00 4.68 H new ATOM 0 HG23 ILE A 114 31.081 31.505 31.292 1.00 4.68 H new ATOM 0 HD11 ILE A 114 26.831 31.140 30.950 1.00 13.11 H new ATOM 0 HD12 ILE A 114 27.310 32.422 31.747 1.00 13.11 H new ATOM 0 HD13 ILE A 114 28.202 31.839 30.576 1.00 13.11 H new ATOM 871 N LEU A 115 31.785 32.190 35.214 1.00 8.08 N ATOM 872 CA LEU A 115 33.098 32.906 35.607 1.00 6.13 C ATOM 873 C LEU A 115 33.965 31.929 36.148 1.00 9.43 C ATOM 874 O LEU A 115 35.158 31.991 35.776 1.00 12.47 O ATOM 875 CB LEU A 115 33.005 34.086 36.588 1.00 12.31 C ATOM 876 CG LEU A 115 32.373 35.290 35.955 1.00 16.07 C ATOM 877 CD1 LEU A 115 32.178 36.396 36.998 1.00 13.35 C ATOM 878 CD2 LEU A 115 33.153 35.926 34.708 1.00 10.07 C ATOM 0 H LEU A 115 31.114 32.420 35.700 1.00 8.08 H new ATOM 0 HA LEU A 115 33.415 33.319 34.788 1.00 6.13 H new ATOM 0 HB2 LEU A 115 32.488 33.821 37.365 1.00 12.31 H new ATOM 0 HB3 LEU A 115 33.893 34.315 36.903 1.00 12.31 H new ATOM 0 HG LEU A 115 31.534 34.951 35.606 1.00 16.07 H new ATOM 0 HD11 LEU A 115 31.769 37.169 36.578 1.00 13.35 H new ATOM 0 HD12 LEU A 115 31.603 36.073 37.709 1.00 13.35 H new ATOM 0 HD13 LEU A 115 33.039 36.647 37.368 1.00 13.35 H new ATOM 0 HD21 LEU A 115 32.662 36.694 34.376 1.00 10.07 H new ATOM 0 HD22 LEU A 115 34.039 36.206 34.988 1.00 10.07 H new ATOM 0 HD23 LEU A 115 33.231 35.264 34.003 1.00 10.07 H new ATOM 879 N LYS A 116 33.378 31.051 37.019 1.00 12.51 N ATOM 880 CA LYS A 116 34.140 30.082 37.657 1.00 3.00 C ATOM 881 C LYS A 116 34.505 29.033 36.679 1.00 11.35 C ATOM 882 O LYS A 116 35.656 28.702 36.722 1.00 11.89 O ATOM 883 CB LYS A 116 33.353 29.319 38.836 1.00 8.47 C ATOM 884 CG LYS A 116 33.093 30.330 39.956 1.00 44.55 C ATOM 885 CD LYS A 116 32.321 29.671 41.202 1.00 47.08 C ATOM 886 CE LYS A 116 31.962 30.708 42.255 1.00 48.53 C ATOM 887 NZ LYS A 116 31.262 29.999 43.402 0.00 0.00 N ATOM 0 H LYS A 116 32.541 31.044 37.216 1.00 12.51 H new ATOM 0 HA LYS A 116 34.903 30.549 38.031 1.00 3.00 H new ATOM 0 HB2 LYS A 116 32.517 28.955 38.506 1.00 8.47 H new ATOM 0 HB3 LYS A 116 33.877 28.573 39.167 1.00 8.47 H new ATOM 0 HG2 LYS A 116 33.937 30.699 40.259 1.00 44.55 H new ATOM 0 HG3 LYS A 116 32.570 31.069 39.608 1.00 44.55 H new ATOM 0 HD2 LYS A 116 31.513 29.235 40.888 1.00 47.08 H new ATOM 0 HD3 LYS A 116 32.878 28.984 41.601 1.00 47.08 H new ATOM 0 HE2 LYS A 116 32.761 31.158 42.573 1.00 48.53 H new ATOM 0 HE3 LYS A 116 31.385 31.389 41.876 1.00 48.53 H new ATOM 0 HZ1 LYS A 116 31.044 30.592 44.029 0.00 0.00 H new ATOM 0 HZ2 LYS A 116 30.525 29.602 43.100 0.00 0.00 H new ATOM 0 HZ3 LYS A 116 31.807 29.387 43.750 0.00 0.00 H new ATOM 888 N THR A 117 33.649 28.674 35.686 1.00 11.55 N ATOM 889 CA THR A 117 33.992 27.785 34.624 1.00 9.06 C ATOM 890 C THR A 117 35.175 28.474 33.773 1.00 12.54 C ATOM 891 O THR A 117 36.109 27.829 33.475 1.00 20.30 O ATOM 892 CB THR A 117 32.799 27.263 33.659 1.00 14.28 C ATOM 893 OG1 THR A 117 31.662 26.529 34.294 1.00 7.19 O ATOM 894 CG2 THR A 117 33.160 26.368 32.480 1.00 11.50 C ATOM 0 H THR A 117 32.841 28.965 35.639 1.00 11.55 H new ATOM 0 HA THR A 117 34.267 26.960 35.053 1.00 9.06 H new ATOM 0 HB THR A 117 32.549 28.154 33.369 1.00 14.28 H new ATOM 0 HG1 THR A 117 31.249 27.046 34.811 1.00 7.19 H new ATOM 0 HG21 THR A 117 32.355 26.133 31.993 1.00 11.50 H new ATOM 0 HG22 THR A 117 33.768 26.840 31.890 1.00 11.50 H new ATOM 0 HG23 THR A 117 33.587 25.560 32.806 1.00 11.50 H new ATOM 895 N ILE A 118 35.113 29.671 33.255 1.00 17.62 N ATOM 896 CA ILE A 118 36.225 30.384 32.439 1.00 11.17 C ATOM 897 C ILE A 118 37.532 30.591 33.271 1.00 16.07 C ATOM 898 O ILE A 118 38.636 30.417 32.770 1.00 11.94 O ATOM 899 CB ILE A 118 35.870 31.772 31.996 1.00 10.02 C ATOM 900 CG1 ILE A 118 34.763 31.513 30.932 1.00 10.00 C ATOM 901 CG2 ILE A 118 37.110 32.656 31.421 1.00 12.76 C ATOM 902 CD1 ILE A 118 35.182 30.663 29.756 1.00 13.50 C ATOM 0 H ILE A 118 34.412 30.161 33.342 1.00 17.62 H new ATOM 0 HA ILE A 118 36.341 29.789 31.682 1.00 11.17 H new ATOM 0 HB ILE A 118 35.581 32.323 32.740 1.00 10.02 H new ATOM 0 HG12 ILE A 118 34.010 31.086 31.369 1.00 10.00 H new ATOM 0 HG13 ILE A 118 34.450 32.368 30.598 1.00 10.00 H new ATOM 0 HG21 ILE A 118 36.789 33.533 31.160 1.00 12.76 H new ATOM 0 HG22 ILE A 118 37.786 32.751 32.110 1.00 12.76 H new ATOM 0 HG23 ILE A 118 37.495 32.211 30.650 1.00 12.76 H new ATOM 0 HD11 ILE A 118 34.432 30.556 29.150 1.00 13.50 H new ATOM 0 HD12 ILE A 118 35.915 31.094 29.290 1.00 13.50 H new ATOM 0 HD13 ILE A 118 35.468 29.792 30.072 1.00 13.50 H new ATOM 903 N LYS A 119 37.401 30.664 34.555 1.00 10.52 N ATOM 904 CA LYS A 119 38.619 30.859 35.388 1.00 17.92 C ATOM 905 C LYS A 119 39.252 29.581 35.475 1.00 15.08 C ATOM 906 O LYS A 119 40.475 29.588 35.214 1.00 15.06 O ATOM 907 CB LYS A 119 38.311 31.336 36.818 1.00 22.84 C ATOM 908 CG LYS A 119 39.593 31.666 37.667 1.00 25.44 C ATOM 909 CD LYS A 119 39.277 32.129 39.091 1.00 31.33 C ATOM 910 CE LYS A 119 38.663 33.436 39.209 0.00 0.00 C ATOM 911 NZ LYS A 119 38.665 33.846 40.621 0.00 0.00 N ATOM 0 H LYS A 119 36.658 30.609 34.985 1.00 10.52 H new ATOM 0 HA LYS A 119 39.169 31.543 34.976 1.00 17.92 H new ATOM 0 HB2 LYS A 119 37.751 32.127 36.773 1.00 22.84 H new ATOM 0 HB3 LYS A 119 37.798 30.651 37.275 1.00 22.84 H new ATOM 0 HG2 LYS A 119 40.157 30.878 37.708 1.00 25.44 H new ATOM 0 HG3 LYS A 119 40.103 32.357 37.215 1.00 25.44 H new ATOM 0 HD2 LYS A 119 38.689 31.476 39.502 1.00 31.33 H new ATOM 0 HD3 LYS A 119 40.101 32.130 39.603 1.00 31.33 H new ATOM 0 HE2 LYS A 119 39.148 34.083 38.673 0.00 0.00 H new ATOM 0 HE3 LYS A 119 37.755 33.410 38.870 0.00 0.00 H new ATOM 0 HZ1 LYS A 119 38.288 34.649 40.698 0.00 0.00 H new ATOM 0 HZ2 LYS A 119 38.205 33.256 41.102 0.00 0.00 H new ATOM 0 HZ3 LYS A 119 39.503 33.882 40.919 0.00 0.00 H new ATOM 912 N GLU A 120 38.385 28.489 35.460 1.00 11.81 N ATOM 913 CA GLU A 120 38.853 27.189 35.314 1.00 14.22 C ATOM 914 C GLU A 120 39.353 26.884 33.925 1.00 19.74 C ATOM 915 O GLU A 120 40.411 26.371 33.853 1.00 22.93 O ATOM 916 CB GLU A 120 37.877 25.952 35.850 1.00 13.00 C ATOM 917 CG GLU A 120 37.558 26.173 37.322 1.00 37.75 C ATOM 918 CD GLU A 120 36.436 25.055 37.772 1.00 47.50 C ATOM 919 OE1 GLU A 120 35.920 25.097 38.920 1.00 41.67 O ATOM 920 OE2 GLU A 120 36.228 23.986 37.102 1.00 32.79 O ATOM 0 H GLU A 120 37.531 28.553 35.538 1.00 11.81 H new ATOM 0 HA GLU A 120 39.597 27.201 35.936 1.00 14.22 H new ATOM 0 HB2 GLU A 120 37.058 25.923 35.331 1.00 13.00 H new ATOM 0 HB3 GLU A 120 38.321 25.098 35.728 1.00 13.00 H new ATOM 0 HG2 GLU A 120 38.360 26.084 37.860 1.00 37.75 H new ATOM 0 HG3 GLU A 120 37.219 27.070 37.465 1.00 37.75 H new ATOM 921 N VAL A 121 38.700 27.212 32.884 1.00 19.44 N ATOM 922 CA VAL A 121 39.220 27.055 31.538 1.00 7.66 C ATOM 923 C VAL A 121 40.651 27.851 31.378 1.00 11.42 C ATOM 924 O VAL A 121 41.435 27.256 30.708 1.00 17.05 O ATOM 925 CB VAL A 121 38.196 27.394 30.475 1.00 12.33 C ATOM 926 CG1 VAL A 121 38.711 27.669 29.024 1.00 8.87 C ATOM 927 CG2 VAL A 121 36.856 26.333 30.519 1.00 15.41 C ATOM 0 H VAL A 121 37.909 27.548 32.912 1.00 19.44 H new ATOM 0 HA VAL A 121 39.410 26.115 31.390 1.00 7.66 H new ATOM 0 HB VAL A 121 37.902 28.280 30.740 1.00 12.33 H new ATOM 0 HG11 VAL A 121 37.959 27.872 28.447 1.00 8.87 H new ATOM 0 HG12 VAL A 121 39.323 28.422 29.035 1.00 8.87 H new ATOM 0 HG13 VAL A 121 39.172 26.884 28.690 1.00 8.87 H new ATOM 0 HG21 VAL A 121 36.224 26.581 29.826 1.00 15.41 H new ATOM 0 HG22 VAL A 121 37.158 25.423 30.370 1.00 15.41 H new ATOM 0 HG23 VAL A 121 36.425 26.392 31.386 1.00 15.41 H new ATOM 928 N VAL A 122 40.950 29.167 31.652 1.00 14.43 N ATOM 929 CA VAL A 122 42.203 29.976 31.133 1.00 3.40 C ATOM 930 C VAL A 122 43.375 29.787 32.037 1.00 13.58 C ATOM 931 O VAL A 122 44.575 30.170 31.684 1.00 18.66 O ATOM 932 CB VAL A 122 42.081 31.469 30.980 1.00 5.12 C ATOM 933 CG1 VAL A 122 41.048 31.536 29.839 1.00 12.27 C ATOM 934 CG2 VAL A 122 41.597 32.052 32.296 1.00 7.65 C ATOM 0 H VAL A 122 40.440 29.648 32.150 1.00 14.43 H new ATOM 0 HA VAL A 122 42.298 29.600 30.244 1.00 3.40 H new ATOM 0 HB VAL A 122 42.887 31.970 30.778 1.00 5.12 H new ATOM 0 HG11 VAL A 122 40.863 32.464 29.624 1.00 12.27 H new ATOM 0 HG12 VAL A 122 41.402 31.087 29.055 1.00 12.27 H new ATOM 0 HG13 VAL A 122 40.228 31.100 30.119 1.00 12.27 H new ATOM 0 HG21 VAL A 122 41.514 33.015 32.212 1.00 7.65 H new ATOM 0 HG22 VAL A 122 40.734 31.671 32.521 1.00 7.65 H new ATOM 0 HG23 VAL A 122 42.234 31.843 32.997 1.00 7.65 H new ATOM 935 N GLY A 123 43.004 29.361 33.223 1.00 15.87 N ATOM 936 CA GLY A 123 43.997 29.194 34.258 1.00 16.36 C ATOM 937 C GLY A 123 44.958 30.493 34.605 1.00 20.69 C ATOM 938 O GLY A 123 44.526 31.520 35.063 1.00 20.47 O ATOM 0 H GLY A 123 42.197 29.166 33.449 1.00 15.87 H new ATOM 0 HA2 GLY A 123 43.540 28.933 35.073 1.00 16.36 H new ATOM 0 HA3 GLY A 123 44.572 28.455 34.006 1.00 16.36 H new ATOM 939 N ALA A 124 46.250 30.380 34.484 1.00 21.72 N ATOM 940 CA ALA A 124 47.354 31.455 34.894 1.00 18.55 C ATOM 941 C ALA A 124 47.408 32.705 34.038 1.00 15.99 C ATOM 942 O ALA A 124 48.179 33.741 34.441 1.00 22.11 O ATOM 943 CB ALA A 124 48.752 31.009 34.811 1.00 13.52 C ATOM 0 H ALA A 124 46.604 29.670 34.153 1.00 21.72 H new ATOM 0 HA ALA A 124 47.050 31.613 35.801 1.00 18.55 H new ATOM 0 HB1 ALA A 124 49.339 31.733 35.080 1.00 13.52 H new ATOM 0 HB2 ALA A 124 48.885 30.250 35.400 1.00 13.52 H new ATOM 0 HB3 ALA A 124 48.956 30.750 33.899 1.00 13.52 H new ATOM 944 N LYS A 125 46.611 32.577 32.943 1.00 12.69 N ATOM 945 CA LYS A 125 46.520 33.780 32.101 1.00 23.05 C ATOM 946 C LYS A 125 45.511 34.619 32.661 1.00 15.87 C ATOM 947 O LYS A 125 45.184 35.551 31.978 1.00 16.51 O ATOM 948 CB LYS A 125 46.150 33.363 30.660 1.00 21.32 C ATOM 949 CG LYS A 125 47.228 32.579 30.063 1.00 33.16 C ATOM 950 CD LYS A 125 47.129 32.395 28.528 1.00 28.57 C ATOM 951 CE LYS A 125 45.790 31.564 28.070 1.00 37.99 C ATOM 952 NZ LYS A 125 45.622 30.199 28.657 1.00 35.03 N ATOM 0 H LYS A 125 46.166 31.883 32.698 1.00 12.69 H new ATOM 0 HA LYS A 125 47.364 34.257 32.070 1.00 23.05 H new ATOM 0 HB2 LYS A 125 45.331 32.844 30.668 1.00 21.32 H new ATOM 0 HB3 LYS A 125 45.980 34.152 30.122 1.00 21.32 H new ATOM 0 HG2 LYS A 125 48.074 33.006 30.270 1.00 33.16 H new ATOM 0 HG3 LYS A 125 47.243 31.703 30.480 1.00 33.16 H new ATOM 0 HD2 LYS A 125 47.125 33.266 28.102 1.00 28.57 H new ATOM 0 HD3 LYS A 125 47.918 31.928 28.211 1.00 28.57 H new ATOM 0 HE2 LYS A 125 45.010 32.093 28.301 1.00 37.99 H new ATOM 0 HE3 LYS A 125 45.800 31.480 27.104 1.00 37.99 H new ATOM 0 HZ1 LYS A 125 45.205 29.673 28.072 1.00 35.03 H new ATOM 0 HZ2 LYS A 125 46.421 29.857 28.846 1.00 35.03 H new ATOM 0 HZ3 LYS A 125 45.139 30.254 29.403 1.00 35.03 H new ATOM 953 N TRP A 126 44.842 34.146 33.765 1.00 11.69 N ATOM 954 CA TRP A 126 43.721 34.837 34.250 1.00 17.71 C ATOM 955 C TRP A 126 44.263 36.302 34.674 1.00 17.60 C ATOM 956 O TRP A 126 45.442 36.511 35.150 1.00 17.89 O ATOM 957 CB TRP A 126 42.978 34.003 35.411 1.00 11.88 C ATOM 958 CG TRP A 126 41.661 34.531 35.789 1.00 22.79 C ATOM 959 CD1 TRP A 126 40.437 34.302 35.178 1.00 24.31 C ATOM 960 CD2 TRP A 126 41.502 35.389 36.854 1.00 20.42 C ATOM 961 NE1 TRP A 126 39.507 34.993 35.875 1.00 29.03 N ATOM 962 CE2 TRP A 126 40.141 35.605 36.850 1.00 14.68 C ATOM 963 CE3 TRP A 126 42.422 35.996 37.767 1.00 25.33 C ATOM 964 CZ2 TRP A 126 39.678 36.461 37.742 1.00 36.54 C ATOM 965 CZ3 TRP A 126 41.944 36.879 38.658 1.00 37.05 C ATOM 966 CH2 TRP A 126 40.624 37.105 38.641 1.00 39.33 C ATOM 0 H TRP A 126 45.055 33.438 34.204 1.00 11.69 H new ATOM 0 HA TRP A 126 43.021 34.946 33.587 1.00 17.71 H new ATOM 0 HB2 TRP A 126 42.874 33.084 35.118 1.00 11.88 H new ATOM 0 HB3 TRP A 126 43.546 33.988 36.197 1.00 11.88 H new ATOM 0 HD1 TRP A 126 40.285 33.772 34.429 1.00 24.31 H new ATOM 0 HE1 TRP A 126 38.663 35.026 35.712 1.00 29.03 H new ATOM 0 HE3 TRP A 126 43.327 35.784 37.744 1.00 25.33 H new ATOM 0 HZ2 TRP A 126 38.769 36.648 37.795 1.00 36.54 H new ATOM 0 HZ3 TRP A 126 42.504 37.314 39.260 1.00 37.05 H new ATOM 0 HH2 TRP A 126 40.286 37.721 39.251 1.00 39.33 H new ATOM 967 N SER A 127 43.538 37.284 34.353 1.00 12.70 N ATOM 968 CA SER A 127 43.987 38.681 34.793 1.00 17.26 C ATOM 969 C SER A 127 42.764 39.264 35.283 1.00 15.83 C ATOM 970 O SER A 127 41.619 38.681 34.895 1.00 11.39 O ATOM 971 CB SER A 127 44.699 39.465 33.620 1.00 8.96 C ATOM 972 OG SER A 127 43.728 39.658 32.656 1.00 15.90 O ATOM 0 H SER A 127 42.805 37.244 33.904 1.00 12.70 H new ATOM 0 HA SER A 127 44.674 38.692 35.478 1.00 17.26 H new ATOM 0 HB2 SER A 127 45.053 40.312 33.932 1.00 8.96 H new ATOM 0 HB3 SER A 127 45.446 38.958 33.265 1.00 8.96 H new ATOM 0 HG SER A 127 43.565 38.929 32.273 1.00 15.90 H new ATOM 973 N GLU A 128 42.999 40.403 35.948 1.00 12.04 N ATOM 974 CA GLU A 128 41.889 41.162 36.250 1.00 13.55 C ATOM 975 C GLU A 128 41.226 41.613 35.008 1.00 8.01 C ATOM 976 O GLU A 128 39.986 41.702 35.061 1.00 17.49 O ATOM 977 CB GLU A 128 42.437 42.417 37.070 1.00 23.89 C ATOM 978 CG GLU A 128 42.888 41.977 38.453 1.00 56.92 C ATOM 979 CD GLU A 128 43.381 43.231 39.294 0.00 0.00 C ATOM 980 OE1 GLU A 128 44.374 43.230 40.065 0.00 0.00 O ATOM 981 OE2 GLU A 128 42.606 44.089 39.484 0.00 0.00 O ATOM 0 H GLU A 128 43.763 40.705 36.203 1.00 12.04 H new ATOM 0 HA GLU A 128 41.235 40.657 36.759 1.00 13.55 H new ATOM 0 HB2 GLU A 128 43.178 42.825 36.595 1.00 23.89 H new ATOM 0 HB3 GLU A 128 41.743 43.091 37.147 1.00 23.89 H new ATOM 0 HG2 GLU A 128 42.157 41.537 38.914 1.00 56.92 H new ATOM 0 HG3 GLU A 128 43.605 41.329 38.376 1.00 56.92 H new ATOM 982 N GLU A 129 42.090 42.103 34.032 1.00 8.79 N ATOM 983 CA GLU A 129 41.605 42.670 32.809 1.00 7.62 C ATOM 984 C GLU A 129 40.573 41.614 32.097 1.00 11.87 C ATOM 985 O GLU A 129 39.565 41.870 31.453 1.00 18.21 O ATOM 986 CB GLU A 129 42.827 43.027 31.865 1.00 7.25 C ATOM 987 CG GLU A 129 42.407 43.789 30.618 1.00 24.25 C ATOM 988 CD GLU A 129 42.464 45.283 30.939 1.00 36.04 C ATOM 989 OE1 GLU A 129 43.215 46.109 30.215 1.00 41.58 O ATOM 990 OE2 GLU A 129 41.634 45.690 31.741 1.00 39.48 O ATOM 0 H GLU A 129 42.947 42.095 34.103 1.00 8.79 H new ATOM 0 HA GLU A 129 41.121 43.492 32.987 1.00 7.62 H new ATOM 0 HB2 GLU A 129 43.470 43.557 32.362 1.00 7.25 H new ATOM 0 HB3 GLU A 129 43.277 42.209 31.602 1.00 7.25 H new ATOM 0 HG2 GLU A 129 42.996 43.578 29.877 1.00 24.25 H new ATOM 0 HG3 GLU A 129 41.511 43.533 30.350 1.00 24.25 H new ATOM 991 N LEU A 130 40.832 40.406 32.223 1.00 18.56 N ATOM 992 CA LEU A 130 39.951 39.249 31.610 1.00 21.08 C ATOM 993 C LEU A 130 38.617 38.850 32.359 1.00 11.31 C ATOM 994 O LEU A 130 37.517 38.717 31.759 1.00 17.27 O ATOM 995 CB LEU A 130 40.738 38.029 31.560 1.00 16.61 C ATOM 996 CG LEU A 130 39.906 36.709 30.992 1.00 16.42 C ATOM 997 CD1 LEU A 130 39.445 36.856 29.523 1.00 24.73 C ATOM 998 CD2 LEU A 130 40.635 35.480 31.147 1.00 12.46 C ATOM 0 H LEU A 130 41.516 40.119 32.658 1.00 18.56 H new ATOM 0 HA LEU A 130 39.686 39.620 30.754 1.00 21.08 H new ATOM 0 HB2 LEU A 130 41.513 38.178 30.996 1.00 16.61 H new ATOM 0 HB3 LEU A 130 41.069 37.832 32.450 1.00 16.61 H new ATOM 0 HG LEU A 130 39.113 36.670 31.550 1.00 16.42 H new ATOM 0 HD11 LEU A 130 38.967 36.056 29.252 1.00 24.73 H new ATOM 0 HD12 LEU A 130 38.859 37.625 29.443 1.00 24.73 H new ATOM 0 HD13 LEU A 130 40.219 36.979 28.952 1.00 24.73 H new ATOM 0 HD21 LEU A 130 40.106 34.744 30.801 1.00 12.46 H new ATOM 0 HD22 LEU A 130 41.471 35.535 30.658 1.00 12.46 H new ATOM 0 HD23 LEU A 130 40.821 35.330 32.087 1.00 12.46 H new ATOM 999 N ASN A 131 38.694 38.828 33.666 1.00 18.26 N ATOM 1000 CA ASN A 131 37.528 38.697 34.552 1.00 9.29 C ATOM 1001 C ASN A 131 36.714 39.837 34.305 1.00 9.27 C ATOM 1002 O ASN A 131 35.456 39.538 34.221 1.00 17.73 O ATOM 1003 CB ASN A 131 38.079 38.805 36.006 1.00 11.30 C ATOM 1004 CG ASN A 131 36.880 38.556 36.957 1.00 25.26 C ATOM 1005 OD1 ASN A 131 36.468 39.520 37.551 1.00 32.54 O ATOM 1006 ND2 ASN A 131 36.273 37.308 36.984 1.00 18.88 N ATOM 0 H ASN A 131 39.440 38.890 34.090 1.00 18.26 H new ATOM 0 HA ASN A 131 37.035 37.873 34.418 1.00 9.29 H new ATOM 0 HB2 ASN A 131 38.780 38.152 36.158 1.00 11.30 H new ATOM 0 HB3 ASN A 131 38.467 39.680 36.163 1.00 11.30 H new ATOM 0 HD21 ASN A 131 35.557 37.188 37.445 1.00 18.88 H new ATOM 0 HD22 ASN A 131 36.613 36.655 36.539 1.00 18.88 H new ATOM 1007 N SER A 132 37.379 41.115 34.132 1.00 8.23 N ATOM 1008 CA SER A 132 36.550 42.193 33.955 1.00 6.55 C ATOM 1009 C SER A 132 35.808 42.036 32.617 1.00 7.45 C ATOM 1010 O SER A 132 34.644 42.349 32.483 1.00 13.59 O ATOM 1011 CB SER A 132 37.499 43.551 34.011 1.00 4.62 C ATOM 1012 OG ASER A 132 38.371 43.683 32.859 0.33 15.51 O ATOM 1013 OG BSER A 132 38.140 43.551 35.259 0.33 3.00 O ATOM 1014 OG CSER A 132 36.871 44.532 33.280 0.33 9.92 O ATOM 0 H SER A 132 38.226 41.263 34.129 1.00 8.23 H new ATOM 0 HA SER A 132 35.872 42.260 34.645 1.00 6.55 H new ATOM 0 HB2ASER A 132 36.930 44.334 34.071 0.33 4.62 H new ATOM 0 HB2BSER A 132 38.149 43.546 33.291 0.33 4.62 H new ATOM 0 HB2CSER A 132 37.626 43.839 34.928 0.33 4.62 H new ATOM 0 HB3ASER A 132 38.038 43.530 34.817 0.33 4.62 H new ATOM 0 HB3BSER A 132 36.961 44.351 33.901 0.33 4.62 H new ATOM 0 HB3CSER A 132 38.379 43.366 33.647 0.33 4.62 H new ATOM 0 HG ASER A 132 38.473 42.932 32.497 0.33 9.92 H new ATOM 0 HG BSER A 132 38.859 43.120 35.205 0.33 9.92 H new ATOM 0 HG CSER A 132 37.334 45.233 33.295 0.33 9.92 H new ATOM 1015 N ALA A 133 36.518 41.605 31.608 1.00 13.39 N ATOM 1016 CA ALA A 133 35.949 41.479 30.242 1.00 17.68 C ATOM 1017 C ALA A 133 34.652 40.432 30.096 1.00 14.50 C ATOM 1018 O ALA A 133 33.567 40.738 29.636 1.00 14.23 O ATOM 1019 CB ALA A 133 37.020 41.095 29.284 1.00 12.91 C ATOM 0 H ALA A 133 37.343 41.372 31.670 1.00 13.39 H new ATOM 0 HA ALA A 133 35.589 42.356 30.035 1.00 17.68 H new ATOM 0 HB1 ALA A 133 36.644 41.014 28.394 1.00 12.91 H new ATOM 0 HB2 ALA A 133 37.712 41.775 29.282 1.00 12.91 H new ATOM 0 HB3 ALA A 133 37.404 40.245 29.551 1.00 12.91 H new ATOM 1020 N TRP A 134 34.751 39.231 30.638 1.00 15.85 N ATOM 1021 CA TRP A 134 33.576 38.164 30.769 1.00 13.26 C ATOM 1022 C TRP A 134 32.443 38.542 31.645 1.00 21.32 C ATOM 1023 O TRP A 134 31.244 38.119 31.272 1.00 14.72 O ATOM 1024 CB TRP A 134 33.927 36.838 31.283 1.00 3.00 C ATOM 1025 CG TRP A 134 34.587 35.996 30.241 1.00 7.85 C ATOM 1026 CD1 TRP A 134 35.908 35.976 30.015 1.00 11.37 C ATOM 1027 CD2 TRP A 134 33.900 35.058 29.319 1.00 7.95 C ATOM 1028 NE1 TRP A 134 36.055 35.022 28.960 1.00 5.68 N ATOM 1029 CE2 TRP A 134 34.872 34.515 28.568 1.00 7.59 C ATOM 1030 CE3 TRP A 134 32.533 34.638 29.120 1.00 21.98 C ATOM 1031 CZ2 TRP A 134 34.518 33.532 27.576 1.00 5.71 C ATOM 1032 CZ3 TRP A 134 32.161 33.691 28.104 1.00 7.35 C ATOM 1033 CH2 TRP A 134 33.128 33.170 27.341 1.00 14.98 C ATOM 0 H TRP A 134 35.492 38.943 30.967 1.00 15.85 H new ATOM 0 HA TRP A 134 33.343 38.142 29.828 1.00 13.26 H new ATOM 0 HB2 TRP A 134 34.520 36.933 32.045 1.00 3.00 H new ATOM 0 HB3 TRP A 134 33.126 36.392 31.600 1.00 3.00 H new ATOM 0 HD1 TRP A 134 36.572 36.467 30.443 1.00 11.37 H new ATOM 0 HE1 TRP A 134 36.811 34.799 28.616 1.00 5.68 H new ATOM 0 HE3 TRP A 134 31.870 34.992 29.668 1.00 21.98 H new ATOM 0 HZ2 TRP A 134 35.188 33.122 27.078 1.00 5.71 H new ATOM 0 HZ3 TRP A 134 31.272 33.447 27.981 1.00 7.35 H new ATOM 0 HH2 TRP A 134 32.912 32.576 26.659 1.00 14.98 H new ATOM 1034 N THR A 135 32.794 39.321 32.717 1.00 14.38 N ATOM 1035 CA THR A 135 31.737 39.821 33.531 1.00 15.93 C ATOM 1036 C THR A 135 30.975 40.777 32.725 1.00 6.89 C ATOM 1037 O THR A 135 29.722 40.592 32.838 1.00 13.63 O ATOM 1038 CB THR A 135 32.440 40.541 34.773 1.00 12.84 C ATOM 1039 OG1 THR A 135 33.068 39.564 35.493 1.00 10.01 O ATOM 1040 CG2 THR A 135 31.443 41.040 35.738 1.00 15.08 C ATOM 0 H THR A 135 33.593 39.539 32.948 1.00 14.38 H new ATOM 0 HA THR A 135 31.131 39.132 33.847 1.00 15.93 H new ATOM 0 HB THR A 135 33.003 41.251 34.426 1.00 12.84 H new ATOM 0 HG1 THR A 135 33.839 39.440 35.184 1.00 10.01 H new ATOM 0 HG21 THR A 135 31.897 41.471 36.479 1.00 15.08 H new ATOM 0 HG22 THR A 135 30.861 41.680 35.300 1.00 15.08 H new ATOM 0 HG23 THR A 135 30.915 40.298 36.071 1.00 15.08 H new ATOM 1041 N ILE A 136 31.678 41.782 31.995 1.00 4.89 N ATOM 1042 CA ILE A 136 30.976 42.770 31.380 1.00 7.64 C ATOM 1043 C ILE A 136 30.058 41.991 30.346 1.00 3.50 C ATOM 1044 O ILE A 136 28.890 42.239 30.138 1.00 17.94 O ATOM 1045 CB ILE A 136 32.058 43.847 30.712 1.00 11.09 C ATOM 1046 CG1 ILE A 136 32.995 44.605 31.784 1.00 25.96 C ATOM 1047 CG2 ILE A 136 31.442 44.834 29.815 1.00 27.28 C ATOM 1048 CD1 ILE A 136 34.280 45.468 31.209 1.00 25.70 C ATOM 0 H ILE A 136 32.532 41.823 31.905 1.00 4.89 H new ATOM 0 HA ILE A 136 30.415 43.316 31.953 1.00 7.64 H new ATOM 0 HB ILE A 136 32.627 43.269 30.181 1.00 11.09 H new ATOM 0 HG12 ILE A 136 32.434 45.210 32.295 1.00 25.96 H new ATOM 0 HG13 ILE A 136 33.335 43.941 32.404 1.00 25.96 H new ATOM 0 HG21 ILE A 136 32.127 45.425 29.465 1.00 27.28 H new ATOM 0 HG22 ILE A 136 31.005 44.376 29.081 1.00 27.28 H new ATOM 0 HG23 ILE A 136 30.787 45.354 30.307 1.00 27.28 H new ATOM 0 HD11 ILE A 136 34.757 45.871 31.951 1.00 25.70 H new ATOM 0 HD12 ILE A 136 34.877 44.876 30.724 1.00 25.70 H new ATOM 0 HD13 ILE A 136 33.962 46.164 30.613 1.00 25.70 H new ATOM 1049 N ALA A 137 30.621 41.165 29.622 1.00 10.27 N ATOM 1050 CA ALA A 137 29.875 40.489 28.442 1.00 8.64 C ATOM 1051 C ALA A 137 28.549 39.558 28.815 1.00 13.18 C ATOM 1052 O ALA A 137 27.455 39.621 28.202 1.00 9.95 O ATOM 1053 CB ALA A 137 30.799 39.690 27.681 1.00 3.00 C ATOM 0 H ALA A 137 31.438 40.916 29.719 1.00 10.27 H new ATOM 0 HA ALA A 137 29.517 41.237 27.939 1.00 8.64 H new ATOM 0 HB1 ALA A 137 30.331 39.268 26.944 1.00 3.00 H new ATOM 0 HB2 ALA A 137 31.506 40.256 27.333 1.00 3.00 H new ATOM 0 HB3 ALA A 137 31.183 39.007 28.253 1.00 3.00 H new ATOM 1054 N TYR A 138 28.652 38.863 29.944 1.00 10.32 N ATOM 1055 CA TYR A 138 27.492 38.074 30.610 1.00 6.03 C ATOM 1056 C TYR A 138 26.501 38.980 31.128 1.00 9.41 C ATOM 1057 O TYR A 138 25.287 38.714 30.765 1.00 17.85 O ATOM 1058 CB TYR A 138 27.935 37.321 31.801 1.00 5.03 C ATOM 1059 CG TYR A 138 26.681 36.337 32.305 1.00 20.58 C ATOM 1060 CD1 TYR A 138 25.800 36.780 33.216 1.00 17.18 C ATOM 1061 CD2 TYR A 138 26.399 35.037 31.796 1.00 10.99 C ATOM 1062 CE1 TYR A 138 24.668 35.924 33.643 1.00 10.96 C ATOM 1063 CE2 TYR A 138 25.272 34.153 32.261 1.00 12.49 C ATOM 1064 CZ TYR A 138 24.431 34.616 33.211 1.00 7.13 C ATOM 1065 OH TYR A 138 23.348 33.726 33.779 1.00 7.07 O ATOM 0 H TYR A 138 29.389 38.808 30.384 1.00 10.32 H new ATOM 0 HA TYR A 138 27.155 37.484 29.917 1.00 6.03 H new ATOM 0 HB2 TYR A 138 28.718 36.788 31.591 1.00 5.03 H new ATOM 0 HB3 TYR A 138 28.190 37.932 32.510 1.00 5.03 H new ATOM 0 HD1 TYR A 138 25.901 37.629 33.581 1.00 17.18 H new ATOM 0 HD2 TYR A 138 26.953 34.709 31.125 1.00 10.99 H new ATOM 0 HE1 TYR A 138 24.064 36.288 34.250 1.00 10.96 H new ATOM 0 HE2 TYR A 138 25.157 33.303 31.900 1.00 12.49 H new ATOM 0 HH TYR A 138 23.306 33.831 34.611 1.00 7.07 H new ATOM 1066 N ASP A 139 26.979 40.026 31.945 1.00 14.88 N ATOM 1067 CA ASP A 139 26.040 40.934 32.432 1.00 12.93 C ATOM 1068 C ASP A 139 25.285 41.557 31.319 1.00 3.74 C ATOM 1069 O ASP A 139 24.093 41.738 31.503 1.00 10.72 O ATOM 1070 CB ASP A 139 26.913 42.140 33.099 1.00 11.46 C ATOM 1071 CG ASP A 139 27.316 41.581 34.418 1.00 15.57 C ATOM 1072 OD1 ASP A 139 26.658 40.514 34.878 1.00 12.30 O ATOM 1073 OD2 ASP A 139 28.189 42.265 35.129 1.00 19.94 O ATOM 0 H ASP A 139 27.797 40.160 32.174 1.00 14.88 H new ATOM 0 HA ASP A 139 25.427 40.489 33.038 1.00 12.93 H new ATOM 0 HB2 ASP A 139 27.684 42.367 32.556 1.00 11.46 H new ATOM 0 HB3 ASP A 139 26.388 42.949 33.198 1.00 11.46 H new ATOM 1074 N GLU A 140 25.993 41.983 30.255 1.00 4.76 N ATOM 1075 CA GLU A 140 25.379 42.708 29.161 1.00 14.86 C ATOM 1076 C GLU A 140 24.337 41.732 28.409 1.00 16.35 C ATOM 1077 O GLU A 140 23.222 42.073 28.085 1.00 15.80 O ATOM 1078 CB GLU A 140 26.485 43.379 28.180 1.00 9.51 C ATOM 1079 CG GLU A 140 27.346 44.619 28.884 1.00 13.73 C ATOM 1080 CD GLU A 140 26.525 45.657 29.480 1.00 24.52 C ATOM 1081 OE1 GLU A 140 25.497 45.975 28.902 1.00 19.00 O ATOM 1082 OE2 GLU A 140 27.112 46.480 30.324 1.00 22.05 O ATOM 0 H GLU A 140 26.838 41.853 30.161 1.00 4.76 H new ATOM 0 HA GLU A 140 24.877 43.464 29.505 1.00 14.86 H new ATOM 0 HB2 GLU A 140 27.104 42.692 27.887 1.00 9.51 H new ATOM 0 HB3 GLU A 140 26.039 43.716 27.387 1.00 9.51 H new ATOM 0 HG2 GLU A 140 27.926 44.248 29.568 1.00 13.73 H new ATOM 0 HG3 GLU A 140 27.920 45.021 28.213 1.00 13.73 H new ATOM 1083 N LEU A 141 24.728 40.526 28.224 1.00 15.45 N ATOM 1084 CA LEU A 141 23.824 39.431 27.561 1.00 6.24 C ATOM 1085 C LEU A 141 22.562 38.920 28.410 1.00 11.61 C ATOM 1086 O LEU A 141 21.403 38.728 27.896 1.00 17.12 O ATOM 1087 CB LEU A 141 24.549 38.219 27.135 1.00 7.52 C ATOM 1088 CG LEU A 141 23.544 37.096 26.394 1.00 8.47 C ATOM 1089 CD1 LEU A 141 22.996 37.604 25.080 1.00 7.52 C ATOM 1090 CD2 LEU A 141 24.218 35.853 26.125 1.00 4.68 C ATOM 0 H LEU A 141 25.508 40.242 28.451 1.00 15.45 H new ATOM 0 HA LEU A 141 23.501 39.938 26.800 1.00 6.24 H new ATOM 0 HB2 LEU A 141 25.258 38.469 26.522 1.00 7.52 H new ATOM 0 HB3 LEU A 141 24.972 37.811 27.907 1.00 7.52 H new ATOM 0 HG LEU A 141 22.822 36.951 27.025 1.00 8.47 H new ATOM 0 HD11 LEU A 141 22.423 36.928 24.685 1.00 7.52 H new ATOM 0 HD12 LEU A 141 22.483 38.413 25.234 1.00 7.52 H new ATOM 0 HD13 LEU A 141 23.730 37.797 24.476 1.00 7.52 H new ATOM 0 HD21 LEU A 141 23.602 35.237 25.699 1.00 4.68 H new ATOM 0 HD22 LEU A 141 24.972 36.014 25.537 1.00 4.68 H new ATOM 0 HD23 LEU A 141 24.534 35.469 26.958 1.00 4.68 H new ATOM 1091 N ALA A 142 22.745 38.919 29.708 1.00 10.96 N ATOM 1092 CA ALA A 142 21.609 38.541 30.624 1.00 13.67 C ATOM 1093 C ALA A 142 20.679 39.603 30.695 1.00 11.83 C ATOM 1094 O ALA A 142 19.431 39.218 30.877 1.00 13.68 O ATOM 1095 CB ALA A 142 22.129 38.222 32.015 1.00 11.15 C ATOM 0 H ALA A 142 23.482 39.122 30.101 1.00 10.96 H new ATOM 0 HA ALA A 142 21.173 37.752 30.267 1.00 13.67 H new ATOM 0 HB1 ALA A 142 21.387 37.981 32.591 1.00 11.15 H new ATOM 0 HB2 ALA A 142 22.753 37.481 31.965 1.00 11.15 H new ATOM 0 HB3 ALA A 142 22.580 39.000 32.378 1.00 11.15 H new ATOM 1096 N ILE A 143 21.236 40.910 30.588 1.00 14.78 N ATOM 1097 CA ILE A 143 20.295 41.926 30.680 1.00 9.24 C ATOM 1098 C ILE A 143 19.247 41.700 29.549 1.00 16.55 C ATOM 1099 O ILE A 143 18.028 41.864 29.717 1.00 13.26 O ATOM 1100 CB ILE A 143 21.155 43.375 30.613 1.00 6.39 C ATOM 1101 CG1 ILE A 143 21.943 43.675 31.911 1.00 5.40 C ATOM 1102 CG2 ILE A 143 20.324 44.510 30.438 1.00 18.92 C ATOM 1103 CD1 ILE A 143 22.859 45.080 31.740 1.00 18.22 C ATOM 0 H ILE A 143 22.060 41.128 30.477 1.00 14.78 H new ATOM 0 HA ILE A 143 19.784 41.944 31.504 1.00 9.24 H new ATOM 0 HB ILE A 143 21.745 43.239 29.855 1.00 6.39 H new ATOM 0 HG12 ILE A 143 21.327 43.773 32.654 1.00 5.40 H new ATOM 0 HG13 ILE A 143 22.524 42.928 32.122 1.00 5.40 H new ATOM 0 HG21 ILE A 143 20.871 45.310 30.407 1.00 18.92 H new ATOM 0 HG22 ILE A 143 19.830 44.424 29.608 1.00 18.92 H new ATOM 0 HG23 ILE A 143 19.702 44.573 31.179 1.00 18.92 H new ATOM 0 HD11 ILE A 143 23.345 45.252 32.562 1.00 18.22 H new ATOM 0 HD12 ILE A 143 23.488 44.970 31.010 1.00 18.22 H new ATOM 0 HD13 ILE A 143 22.272 45.828 31.550 1.00 18.22 H new ATOM 1104 N VAL A 144 19.770 41.352 28.401 1.00 12.08 N ATOM 1105 CA VAL A 144 18.953 41.153 27.147 1.00 32.50 C ATOM 1106 C VAL A 144 17.880 39.886 27.185 1.00 20.47 C ATOM 1107 O VAL A 144 16.657 39.956 27.070 1.00 19.74 O ATOM 1108 CB VAL A 144 19.832 41.063 25.869 1.00 29.38 C ATOM 1109 CG1 VAL A 144 18.943 40.745 24.639 1.00 21.66 C ATOM 1110 CG2 VAL A 144 20.844 42.351 25.602 1.00 22.99 C ATOM 0 H VAL A 144 20.612 41.215 28.290 1.00 12.08 H new ATOM 0 HA VAL A 144 18.414 41.959 27.111 1.00 32.50 H new ATOM 0 HB VAL A 144 20.449 40.330 26.022 1.00 29.38 H new ATOM 0 HG11 VAL A 144 19.497 40.690 23.845 1.00 21.66 H new ATOM 0 HG12 VAL A 144 18.491 39.898 24.777 1.00 21.66 H new ATOM 0 HG13 VAL A 144 18.284 41.448 24.525 1.00 21.66 H new ATOM 0 HG21 VAL A 144 21.348 42.203 24.786 1.00 22.99 H new ATOM 0 HG22 VAL A 144 20.319 43.162 25.515 1.00 22.99 H new ATOM 0 HG23 VAL A 144 21.457 42.441 26.348 1.00 22.99 H new ATOM 1111 N ILE A 145 18.284 38.813 27.678 1.00 18.67 N ATOM 1112 CA ILE A 145 17.303 37.588 27.882 1.00 18.42 C ATOM 1113 C ILE A 145 16.237 37.661 28.965 1.00 27.80 C ATOM 1114 O ILE A 145 15.016 37.228 28.698 1.00 24.01 O ATOM 1115 CB ILE A 145 18.088 36.424 28.175 1.00 26.55 C ATOM 1116 CG1 ILE A 145 18.850 36.140 26.881 1.00 21.28 C ATOM 1117 CG2 ILE A 145 17.126 35.155 28.652 1.00 19.34 C ATOM 1118 CD1 ILE A 145 19.816 35.105 27.126 1.00 14.37 C ATOM 0 H ILE A 145 19.094 38.671 27.931 1.00 18.67 H new ATOM 0 HA ILE A 145 16.809 37.577 27.048 1.00 18.42 H new ATOM 0 HB ILE A 145 18.698 36.558 28.917 1.00 26.55 H new ATOM 0 HG12 ILE A 145 18.235 35.866 26.183 1.00 21.28 H new ATOM 0 HG13 ILE A 145 19.293 36.945 26.569 1.00 21.28 H new ATOM 0 HG21 ILE A 145 17.680 34.382 28.844 1.00 19.34 H new ATOM 0 HG22 ILE A 145 16.633 35.404 29.449 1.00 19.34 H new ATOM 0 HG23 ILE A 145 16.502 34.937 27.942 1.00 19.34 H new ATOM 0 HD11 ILE A 145 20.305 34.918 26.309 1.00 14.37 H new ATOM 0 HD12 ILE A 145 20.435 35.396 27.813 1.00 14.37 H new ATOM 0 HD13 ILE A 145 19.361 34.301 27.421 1.00 14.37 H new ATOM 1119 N LYS A 146 16.658 38.294 30.097 1.00 13.06 N ATOM 1120 CA LYS A 146 15.741 38.492 31.156 1.00 7.54 C ATOM 1121 C LYS A 146 14.769 39.368 30.601 1.00 17.58 C ATOM 1122 O LYS A 146 13.599 39.216 31.074 1.00 26.65 O ATOM 1123 CB LYS A 146 16.680 39.197 32.282 1.00 13.62 C ATOM 1124 CG LYS A 146 17.165 38.121 33.172 1.00 9.02 C ATOM 1125 CD LYS A 146 18.423 38.628 33.993 1.00 9.43 C ATOM 1126 CE LYS A 146 18.396 39.955 34.708 1.00 31.40 C ATOM 1127 NZ LYS A 146 19.670 40.224 35.485 1.00 34.57 N ATOM 0 H LYS A 146 17.453 38.593 30.232 1.00 13.06 H new ATOM 0 HA LYS A 146 15.284 37.724 31.533 1.00 7.54 H new ATOM 0 HB2 LYS A 146 17.424 39.661 31.867 1.00 13.62 H new ATOM 0 HB3 LYS A 146 16.177 39.858 32.784 1.00 13.62 H new ATOM 0 HG2 LYS A 146 16.459 37.850 33.780 1.00 9.02 H new ATOM 0 HG3 LYS A 146 17.403 37.340 32.649 1.00 9.02 H new ATOM 0 HD2 LYS A 146 18.621 37.950 34.658 1.00 9.43 H new ATOM 0 HD3 LYS A 146 19.174 38.651 33.379 1.00 9.43 H new ATOM 0 HE2 LYS A 146 18.260 40.665 34.061 1.00 31.40 H new ATOM 0 HE3 LYS A 146 17.640 39.976 35.315 1.00 31.40 H new ATOM 0 HZ1 LYS A 146 19.634 41.039 35.842 1.00 34.57 H new ATOM 0 HZ2 LYS A 146 19.756 39.620 36.133 1.00 34.57 H new ATOM 0 HZ3 LYS A 146 20.369 40.171 34.937 1.00 34.57 H new ATOM 1128 N LYS A 147 15.245 40.299 29.706 1.00 18.64 N ATOM 1129 CA LYS A 147 14.332 41.198 29.185 1.00 22.47 C ATOM 1130 C LYS A 147 13.197 40.342 28.434 1.00 14.82 C ATOM 1131 O LYS A 147 11.979 40.558 28.449 1.00 28.32 O ATOM 1132 CB LYS A 147 15.061 42.325 28.246 1.00 29.12 C ATOM 1133 CG LYS A 147 14.179 43.436 27.920 1.00 39.99 C ATOM 1134 CD LYS A 147 14.914 44.594 27.055 0.00 0.00 C ATOM 1135 CE LYS A 147 15.297 44.088 25.677 0.00 0.00 C ATOM 1136 NZ LYS A 147 15.914 45.231 24.849 0.00 0.00 N ATOM 0 H LYS A 147 16.058 40.377 29.437 1.00 18.64 H new ATOM 0 HA LYS A 147 13.911 41.720 29.886 1.00 22.47 H new ATOM 0 HB2 LYS A 147 15.847 42.663 28.703 1.00 29.12 H new ATOM 0 HB3 LYS A 147 15.368 41.908 27.426 1.00 29.12 H new ATOM 0 HG2 LYS A 147 13.416 43.102 27.422 1.00 39.99 H new ATOM 0 HG3 LYS A 147 13.835 43.821 28.741 1.00 39.99 H new ATOM 0 HD2 LYS A 147 14.325 45.360 26.969 0.00 0.00 H new ATOM 0 HD3 LYS A 147 15.708 44.897 27.523 0.00 0.00 H new ATOM 0 HE2 LYS A 147 15.931 43.358 25.757 0.00 0.00 H new ATOM 0 HE3 LYS A 147 14.515 43.736 25.224 0.00 0.00 H new ATOM 0 HZ1 LYS A 147 16.136 44.927 24.042 0.00 0.00 H new ATOM 0 HZ2 LYS A 147 15.322 45.890 24.765 0.00 0.00 H new ATOM 0 HZ3 LYS A 147 16.641 45.537 25.261 0.00 0.00 H new ATOM 1137 N GLU A 148 13.663 39.523 27.640 1.00 15.38 N ATOM 1138 CA GLU A 148 12.704 38.664 26.741 1.00 19.33 C ATOM 1139 C GLU A 148 11.743 37.567 27.449 1.00 30.83 C ATOM 1140 O GLU A 148 10.562 37.224 26.998 1.00 29.37 O ATOM 1141 CB GLU A 148 13.491 37.953 25.737 1.00 6.93 C ATOM 1142 CG GLU A 148 14.391 38.990 24.847 1.00 31.33 C ATOM 1143 CD GLU A 148 13.569 39.982 24.178 1.00 49.46 C ATOM 1144 OE1 GLU A 148 12.569 39.549 23.445 1.00 40.06 O ATOM 1145 OE2 GLU A 148 13.961 41.247 24.263 1.00 45.86 O ATOM 0 H GLU A 148 14.502 39.372 27.528 1.00 15.38 H new ATOM 0 HA GLU A 148 12.098 39.335 26.391 1.00 19.33 H new ATOM 0 HB2 GLU A 148 14.071 37.310 26.173 1.00 6.93 H new ATOM 0 HB3 GLU A 148 12.899 37.452 25.154 1.00 6.93 H new ATOM 0 HG2 GLU A 148 15.033 39.436 25.422 1.00 31.33 H new ATOM 0 HG3 GLU A 148 14.899 38.493 24.187 1.00 31.33 H new ATOM 1146 N MET A 149 12.157 37.211 28.637 1.00 27.41 N ATOM 1147 CA MET A 149 11.292 36.264 29.505 1.00 21.15 C ATOM 1148 C MET A 149 10.189 36.951 30.146 1.00 24.53 C ATOM 1149 O MET A 149 8.985 36.341 30.185 1.00 26.87 O ATOM 1150 CB MET A 149 12.142 35.810 30.668 1.00 21.12 C ATOM 1151 CG MET A 149 13.181 34.898 30.237 1.00 14.67 C ATOM 1152 SD MET A 149 14.304 34.462 31.579 1.00 18.96 S ATOM 1153 CE MET A 149 13.042 33.923 32.843 1.00 19.48 C ATOM 0 H MET A 149 12.896 37.465 28.996 1.00 27.41 H new ATOM 0 HA MET A 149 10.969 35.560 28.921 1.00 21.15 H new ATOM 0 HB2 MET A 149 12.544 36.581 31.098 1.00 21.12 H new ATOM 0 HB3 MET A 149 11.582 35.376 31.330 1.00 21.12 H new ATOM 0 HG2 MET A 149 12.775 34.092 29.882 1.00 14.67 H new ATOM 0 HG3 MET A 149 13.685 35.303 29.514 1.00 14.67 H new ATOM 0 HE1 MET A 149 13.467 33.352 33.502 1.00 19.48 H new ATOM 0 HE2 MET A 149 12.671 34.704 33.283 1.00 19.48 H new ATOM 0 HE3 MET A 149 12.331 33.433 32.402 1.00 19.48 H new ATOM 1154 N ASP A 150 10.578 38.183 30.619 1.00 36.23 N ATOM 1155 CA ASP A 150 9.569 38.936 31.236 1.00 53.78 C ATOM 1156 C ASP A 150 8.486 39.169 30.226 1.00 51.54 C ATOM 1157 O ASP A 150 7.240 39.012 30.520 1.00 48.38 O ATOM 1158 CB ASP A 150 10.224 40.327 31.807 1.00 52.40 C ATOM 1159 CG ASP A 150 10.945 40.096 33.109 1.00 50.34 C ATOM 1160 OD1 ASP A 150 11.323 38.970 33.297 0.00 0.00 O ATOM 1161 OD2 ASP A 150 10.677 40.754 34.118 0.00 0.00 O ATOM 0 H ASP A 150 11.363 38.532 30.576 1.00 36.23 H new ATOM 0 HA ASP A 150 9.177 38.474 31.994 1.00 53.78 H new ATOM 0 HB2 ASP A 150 10.841 40.689 31.152 1.00 52.40 H new ATOM 0 HB3 ASP A 150 9.526 40.988 31.934 1.00 52.40 H new ATOM 1162 N ASP A 151 8.985 39.414 29.027 1.00 43.85 N ATOM 1163 CA ASP A 151 8.072 39.576 27.918 1.00 51.51 C ATOM 1164 C ASP A 151 7.287 38.241 27.439 1.00 59.93 C ATOM 1165 O ASP A 151 6.120 38.214 26.940 1.00 57.15 O ATOM 1166 CB ASP A 151 8.826 40.368 26.749 1.00 54.32 C ATOM 1167 CG ASP A 151 9.039 41.879 27.095 1.00 47.93 C ATOM 1168 OD1 ASP A 151 9.613 42.252 28.181 0.00 0.00 O ATOM 1169 OD2 ASP A 151 8.220 42.587 26.619 0.00 0.00 O ATOM 0 H ASP A 151 9.821 39.488 28.839 1.00 43.85 H new ATOM 0 HA ASP A 151 7.324 40.109 28.231 1.00 51.51 H new ATOM 0 HB2 ASP A 151 9.686 39.952 26.583 1.00 54.32 H new ATOM 0 HB3 ASP A 151 8.313 40.296 25.929 1.00 54.32 H new ATOM 1170 N ALA A 152 7.831 37.153 27.720 1.00 51.33 N ATOM 1171 CA ALA A 152 7.056 35.825 27.368 1.00 49.64 C ATOM 1172 C ALA A 152 6.068 35.273 28.476 1.00 58.15 C ATOM 1173 O ALA A 152 5.333 34.146 28.306 1.00 52.80 O ATOM 1174 CB ALA A 152 7.992 34.787 27.068 1.00 47.26 C ATOM 0 H ALA A 152 8.600 37.056 28.093 1.00 51.33 H new ATOM 0 HA ALA A 152 6.502 36.072 26.611 1.00 49.64 H new ATOM 0 HB1 ALA A 152 7.513 33.972 26.852 1.00 47.26 H new ATOM 0 HB2 ALA A 152 8.537 35.052 26.311 1.00 47.26 H new ATOM 0 HB3 ALA A 152 8.562 34.632 27.838 1.00 47.26 H new ATOM 1175 N ALA A 153 6.107 36.029 29.585 1.00 50.54 N ATOM 1176 CA ALA A 153 5.332 35.616 30.813 1.00 52.60 C ATOM 1177 C ALA A 153 3.894 35.983 30.853 1.00 50.70 C ATOM 1178 O ALA A 153 3.710 37.080 31.382 0.00 0.00 O ATOM 1179 CB ALA A 153 6.163 36.345 31.976 1.00 50.71 C ATOM 1180 OXT ALA A 153 2.979 35.361 30.123 0.00 0.00 O ATOM 0 H ALA A 153 6.553 36.760 29.664 1.00 50.54 H new ATOM 0 HA ALA A 153 5.270 34.650 30.874 1.00 52.60 H new ATOM 0 HB1 ALA A 153 5.755 36.152 32.835 1.00 50.71 H new ATOM 0 HB2 ALA A 153 7.077 36.021 31.973 1.00 50.71 H new ATOM 0 HB3 ALA A 153 6.160 37.303 31.825 1.00 50.71 H new TER 1181 ALA A 153 HETATM 1182 FE HEM A 154 18.623 28.522 29.701 1.00 15.40 FE HETATM 1183 CHA HEM A 154 16.797 26.111 27.687 1.00 16.24 C HETATM 1184 CHB HEM A 154 20.545 29.802 26.853 1.00 18.16 C HETATM 1185 CHC HEM A 154 20.271 31.161 31.479 1.00 13.92 C HETATM 1186 CHD HEM A 154 17.232 27.031 32.456 1.00 20.02 C HETATM 1187 NA HEM A 154 18.646 28.037 27.652 1.00 21.82 N HETATM 1188 C1A HEM A 154 17.762 27.040 27.038 1.00 7.80 C HETATM 1189 C2A HEM A 154 18.073 27.060 25.617 1.00 19.35 C HETATM 1190 C3A HEM A 154 19.165 28.018 25.404 1.00 15.47 C HETATM 1191 C4A HEM A 154 19.523 28.676 26.680 1.00 36.10 C HETATM 1192 CMA HEM A 154 19.907 28.441 24.092 1.00 15.65 C HETATM 1193 CAA HEM A 154 17.379 26.067 24.576 1.00 31.41 C HETATM 1194 CBA HEM A 154 18.324 24.983 24.459 1.00 45.69 C HETATM 1195 CGA HEM A 154 17.768 23.952 23.395 0.00 0.00 C HETATM 1196 O1A HEM A 154 16.849 24.202 22.619 0.00 0.00 O HETATM 1197 O2A HEM A 154 18.383 22.979 23.134 0.00 0.00 O HETATM 1198 NB HEM A 154 20.170 30.221 29.213 1.00 11.49 N HETATM 1199 C1B HEM A 154 20.798 30.542 28.036 1.00 14.44 C HETATM 1200 C2B HEM A 154 21.761 31.748 28.206 1.00 14.22 C HETATM 1201 C3B HEM A 154 21.649 32.192 29.485 1.00 14.28 C HETATM 1202 C4B HEM A 154 20.634 31.185 30.129 1.00 8.69 C HETATM 1203 CMB HEM A 154 22.702 32.350 27.079 1.00 5.06 C HETATM 1204 CAB HEM A 154 22.503 33.427 30.170 1.00 15.53 C HETATM 1205 CBB HEM A 154 22.905 34.576 29.479 1.00 11.54 C HETATM 1206 NC HEM A 154 18.771 29.018 31.656 1.00 13.10 N HETATM 1207 C1C HEM A 154 19.446 30.193 32.194 1.00 15.69 C HETATM 1208 C2C HEM A 154 19.180 30.159 33.640 1.00 18.83 C HETATM 1209 C3C HEM A 154 18.364 28.963 33.904 1.00 21.17 C HETATM 1210 C4C HEM A 154 18.070 28.264 32.641 1.00 22.03 C HETATM 1211 CMC HEM A 154 19.727 31.234 34.682 1.00 12.52 C HETATM 1212 CAC HEM A 154 17.829 28.416 35.278 1.00 17.40 C HETATM 1213 CBC HEM A 154 18.497 27.613 35.958 1.00 3.00 C HETATM 1214 ND HEM A 154 17.267 26.891 30.022 1.00 22.76 N HETATM 1215 C1D HEM A 154 16.827 26.395 31.264 1.00 15.98 C HETATM 1216 C2D HEM A 154 15.810 25.162 31.082 1.00 15.70 C HETATM 1217 C3D HEM A 154 15.707 24.932 29.751 1.00 14.53 C HETATM 1218 C4D HEM A 154 16.601 26.009 29.066 1.00 27.60 C HETATM 1219 CMD HEM A 154 15.002 24.330 32.202 1.00 9.58 C HETATM 1220 CAD HEM A 154 14.785 23.788 29.034 1.00 20.86 C HETATM 1221 CBD HEM A 154 15.608 22.644 28.762 1.00 26.38 C HETATM 1222 CGD HEM A 154 14.663 21.293 28.597 1.00 39.97 C HETATM 1223 O1D HEM A 154 13.975 20.805 29.585 1.00 37.31 O HETATM 1224 O2D HEM A 154 15.074 20.473 27.817 1.00 40.18 O HETATM 0 HMA1 HEM A 154 20.173 29.372 24.156 1.00 15.65 H new HETATM 0 HMA2 HEM A 154 19.314 28.326 23.333 1.00 15.65 H new HETATM 0 HMA3 HEM A 154 20.695 27.888 23.973 1.00 15.65 H new HETATM 0 HMB1 HEM A 154 22.961 31.646 26.464 1.00 5.06 H new HETATM 0 HMB2 HEM A 154 23.495 32.730 27.488 1.00 5.06 H new HETATM 0 HMB3 HEM A 154 22.225 33.043 26.595 1.00 5.06 H new HETATM 0 HMC1 HEM A 154 20.574 31.588 34.368 1.00 12.52 H new HETATM 0 HMC2 HEM A 154 19.854 30.812 35.546 1.00 12.52 H new HETATM 0 HMC3 HEM A 154 19.086 31.957 34.767 1.00 12.52 H new HETATM 0 HMD1 HEM A 154 14.168 24.006 31.826 1.00 9.58 H new HETATM 0 HMD2 HEM A 154 14.813 24.906 32.959 1.00 9.58 H new HETATM 0 HMD3 HEM A 154 15.538 23.577 32.495 1.00 9.58 H new HETATM 0 HBB1 HEM A 154 23.406 35.268 29.939 1.00 11.54 H new HETATM 0 HBB2 HEM A 154 22.683 34.680 28.541 1.00 11.54 H new HETATM 0 HBC1 HEM A 154 18.150 27.287 36.803 1.00 3.00 H new HETATM 0 HBC2 HEM A 154 19.364 27.314 35.642 1.00 3.00 H new HETATM 0 HBA1 HEM A 154 18.448 24.549 25.317 1.00 45.69 H new HETATM 0 HBA2 HEM A 154 19.191 25.319 24.183 1.00 45.69 H new HETATM 0 HAA1 HEM A 154 17.223 26.498 23.721 1.00 31.41 H new HETATM 0 HAA2 HEM A 154 16.518 25.757 24.898 1.00 31.41 H new HETATM 0 HBD1 HEM A 154 16.245 22.516 29.482 1.00 26.38 H new HETATM 0 HBD2 HEM A 154 16.121 22.790 27.952 1.00 26.38 H new HETATM 0 HAD1 HEM A 154 14.402 24.131 28.211 1.00 20.86 H new HETATM 0 HAD2 HEM A 154 14.045 23.541 29.611 1.00 20.86 H new HETATM 0 HHA HEM A 154 16.289 25.560 27.136 1.00 16.24 H new HETATM 0 HHB HEM A 154 21.052 30.024 26.106 1.00 18.16 H new HETATM 0 HHC HEM A 154 20.602 31.861 31.994 1.00 13.92 H new HETATM 0 HHD HEM A 154 16.938 26.629 33.241 1.00 20.02 H new HETATM 0 HAB HEM A 154 22.741 33.352 31.107 1.00 15.53 H new HETATM 0 HAC HEM A 154 16.963 28.709 35.602 1.00 17.40 H new HETATM 1225 O HOH A 155 20.034 27.472 29.859 1.00 8.74 O HETATM 1226 O HOH A 156 25.993 15.035 29.391 1.00 10.16 O HETATM 1227 O HOH A 157 28.393 16.636 28.852 1.00 13.83 O HETATM 1228 O HOH A 158 23.430 44.870 27.438 1.00 15.94 O HETATM 1229 O HOH A 159 47.310 35.581 36.926 1.00 20.62 O HETATM 1230 O HOH A 160 24.994 36.758 21.849 1.00 22.13 O HETATM 1231 O HOH A 161 26.802 36.442 40.259 1.00 32.68 O HETATM 1232 O HOH A 162 26.486 19.416 41.987 1.00 33.22 O HETATM 1233 O HOH A 163 31.704 50.692 15.075 1.00 24.72 O HETATM 1234 O HOH A 164 29.356 38.961 17.647 1.00 24.83 O HETATM 1235 O HOH A 165 27.875 51.901 19.884 1.00 10.54 O HETATM 1236 O HOH A 166 19.389 45.279 20.147 1.00 27.79 O HETATM 1237 O HOH A 167 21.356 47.649 20.834 1.00 22.40 O HETATM 1238 O HOH A 168 21.952 47.107 23.527 1.00 26.75 O HETATM 1239 O HOH A 169 24.461 46.732 25.225 1.00 25.41 O HETATM 1240 O HOH A 170 21.663 48.228 29.322 1.00 23.35 O HETATM 1241 O HOH A 171 24.511 48.168 29.885 1.00 14.01 O HETATM 1242 O HOH A 172 25.749 47.955 32.345 1.00 18.65 O HETATM 1243 O HOH A 173 15.916 30.456 20.564 1.00 44.08 O HETATM 1244 O HOH A 174 34.219 20.107 21.967 1.00 32.06 O HETATM 1245 O HOH A 175 19.258 19.955 24.047 1.00 47.65 O HETATM 1246 O HOH A 176 30.596 38.562 39.973 1.00 26.38 O HETATM 1247 O HOH A 177 33.154 39.870 38.413 1.00 23.22 O HETATM 1248 O HOH A 178 42.464 26.322 36.235 1.00 49.22 O HETATM 1249 O HOH A 179 29.670 51.313 24.924 1.00 12.09 O HETATM 1250 O HOH A 180 23.331 39.879 17.498 1.00 33.46 O HETATM 1251 O HOH A 181 29.649 25.917 20.240 1.00 52.43 O HETATM 1252 O HOH A 182 40.664 45.533 34.822 1.00 46.43 O HETATM 1253 O HOH A 183 13.376 35.690 40.567 1.00 26.59 O HETATM 1254 O HOH A 184 22.745 41.393 34.097 1.00 27.36 O HETATM 1255 O HOH A 185 13.329 23.768 41.540 1.00 45.50 O HETATM 1256 O HOH A 186 17.171 43.104 31.884 1.00 34.92 O HETATM 1257 O HOH A 187 25.637 38.942 39.443 1.00 41.85 O HETATM 1258 O HOH A 188 17.315 21.612 25.860 1.00 44.16 O HETATM 1259 O HOH A 189 21.228 46.566 27.132 1.00 41.77 O HETATM 1260 O HOH A 190 29.438 44.537 33.825 1.00 39.41 O HETATM 1261 O HOH A 191 38.235 42.049 37.468 1.00 43.15 O HETATM 1262 O HOH A 192 44.125 37.812 30.943 1.00 34.52 O HETATM 1263 O HOH A 193 47.240 28.050 33.525 1.00 47.35 O HETATM 1264 O HOH A 194 38.018 49.014 21.064 1.00 45.64 O HETATM 1265 O HOH A 195 24.956 39.487 21.108 1.00 49.48 O HETATM 1266 O HOH A 196 25.559 23.558 21.000 1.00 36.98 O HETATM 1267 O HOH A 197 32.007 48.671 24.899 1.00 38.56 O HETATM 1268 O HOH A 198 21.761 9.970 34.804 1.00 37.20 O HETATM 1269 O HOH A 199 20.104 9.750 31.595 1.00 35.76 O HETATM 1270 O HOH A 200 18.411 11.854 31.039 1.00 45.25 O HETATM 1271 O HOH A 201 35.676 15.563 26.135 1.00 42.93 O HETATM 1272 O HOH A 202 39.993 23.889 26.776 1.00 41.01 O HETATM 1273 O HOH A 203 42.597 32.525 26.430 1.00 42.24 O HETATM 1274 O HOH A 204 42.203 34.894 19.298 1.00 44.59 O HETATM 1275 O HOH A 205 41.910 37.635 20.210 1.00 48.36 O HETATM 1276 O HOH A 206 42.594 30.872 22.348 1.00 33.87 O HETATM 1277 O HOH A 207 17.138 12.115 43.211 1.00 50.36 O HETATM 1278 O HOH A 208 27.025 38.663 16.119 1.00 41.40 O HETATM 1279 O HOH A 209 29.340 14.926 21.909 1.00 45.67 O HETATM 1280 O HOH A 210 23.290 37.878 37.245 1.00 42.87 O HETATM 1281 O HOH A 211 20.561 38.556 37.739 1.00 37.04 O HETATM 1282 O HOH A 212 36.871 34.799 35.412 1.00 36.75 O HETATM 1283 O HOH A 213 11.602 35.842 37.239 1.00 35.23 O HETATM 1284 O HOH A 214 24.123 39.313 35.007 1.00 39.45 O HETATM 1285 O HOH A 215 30.326 27.221 22.783 1.00 37.22 O HETATM 1286 O HOH A 216 36.110 23.752 33.446 1.00 43.56 O HETATM 1287 O HOH A 217 27.953 51.097 36.187 1.00 37.30 O HETATM 1288 O HOH A 218 21.831 27.436 31.344 1.00 30.64 O HETATM 1289 O HOH A 219 46.349 37.381 30.024 1.00 51.73 O HETATM 1290 O HOH A 220 20.335 15.374 37.249 1.00 49.50 O HETATM 1291 O HOH A 221 45.562 42.491 24.533 1.00 51.37 O HETATM 1292 O HOH A 222 43.694 49.852 24.133 1.00 54.89 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 END