USER MOD reduce.3.24.130724 H: found=0, std=0, add=1239, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER OXYGEN TRANSPORT 23-APR-82 2LH1 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 (ACETO 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 2LH1 1 VERSN REVDAT 2 30-SEP-83 2LH1 1 REVDAT REVDAT 1 20-JAN-83 2LH1 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 : 47 REMARK 3 SOLVENT ATOMS : 69 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 2LH1 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 (%): 55.76 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.78 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: B 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 X+1/2,Y,Z+1/2 REMARK 290 4555 -X+1/2,-Y,Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 46.66500 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 26.20000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 46.66500 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 26.20000 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 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 155 REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM A 155 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 97 NE2 REMARK 620 2 ACT A 154 O 174.9 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACT A 154 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 155 DBREF 2LH1 A 1 153 UNP P02240 LGB2_LUPLU 1 153 SEQADV 2LH1 GLU A 79 UNP P02240 GLN 79 CONFLICT SEQADV 2LH1 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 ACT A 154 4 HET HEM A 155 43 HETNAM ACT ACETATE ION HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETSYN HEM HEME FORMUL 2 ACT C2 H3 O2 1- FORMUL 3 HEM C34 H32 FE N4 O4 FORMUL 4 HOH *69(H2 O) HELIX 1 A THR A 4 ALA A 20 1 17 HELIX 2 B ASN A 21 ILE A 36 1 16 HELIX 3 C ALA A 37 LEU A 43 1 7 HELIX 4 E ASN A 57 GLY A 82 1 26 HELIX 5 F ALA A 88 GLY A 101 1 14 HELIX 6 G ASP A 104 GLY A 123 1 20 HELIX 7 H SER A 127 ALA A 152 1 26 LINK NE2 HIS A 97 FE HEM A 155 1555 1555 2.17 LINK O ACT A 154 FE HEM A 155 1555 1555 1.93 SITE *** AC1 5 PHE A 44 HIS A 63 VAL A 67 VAL A 110 SITE *** AC1 5 HEM A 155 SITE *** AC2 14 LEU A 43 PHE A 44 SER A 45 HIS A 63 SITE *** AC2 14 VAL A 67 LEU A 93 HIS A 97 LYS A 100 SITE *** AC2 14 VAL A 102 HIS A 106 PHE A 107 VAL A 110 SITE *** AC2 14 TYR A 138 ACT A 154 CRYST1 93.330 38.400 52.400 90.00 90.00 99.00 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 0.010715 0.001697 0.000000 0.00000 SCALE2 0.000000 0.026366 0.000000 0.00000 SCALE3 0.000000 0.000000 0.019084 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 97 HIS HE2 : A 97 HIS NE2 : A 155 HEMFE :(H bumps) USER MOD Set 1.1: A 7 GLN : amide:sc= 0.289 K(o=1.5,f=-3.8!) USER MOD Set 1.2: A 132 SER OG A: rot -27:sc= 1.2 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 133:sc= 0.929 USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0.578 USER MOD Single : A 1 GLY N :NH3+ -168:sc= 0 (180deg=-0.125) USER MOD Single : A 13 SER OG : rot -76:sc= 0.287 USER MOD Single : A 14 SER OG : rot -8:sc= 1.3 USER MOD Single : A 19 ASN : amide:sc= -0.305 X(o=-0.3,f=-0.56) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.435 F(o=-3.7!,f=-0.43) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= -0.679 X(o=-0.68,f=-0.61) USER MOD Single : A 26 THR OG1 : rot -76:sc= 1.57 USER MOD Single : A 27 HIS : no HD1:sc= -0.722 X(o=-0.72,f=-0.31) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -88:sc= 0.112 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -69:sc= 1.25 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0821 K(o=-0.082,f=-1.6!) USER MOD Single : A 56 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.16) USER MOD Single : A 57 ASN : amide:sc= -1.38 K(o=-1.4,f=-7.1!) USER MOD Single : A 61 GLN :FLIP amide:sc= -0.072 F(o=-2.4!,f=-0.072) USER MOD Single : A 63 HIS : no HD1:sc= -4.81! C(o=-4.8!,f=-6.5!) 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= 0.31 F(o=-2.2!,f=0.31) USER MOD Single : A 81 THR OG1 : rot -41:sc= 1.35 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.012 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.542 X(o=-0.54,f=-0.048) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 75:sc= 0.011 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= 1.06 K(o=1.1,f=-5.6!) USER MOD Single : A 111 LYS NZ :NH3+ -177:sc= 0.796 (180deg=0.719) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 72:sc= 0.884 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 152:sc= 0.133 (180deg=-0.603) USER MOD Single : A 127 SER OG : rot -91:sc= 1.3 USER MOD Single : A 131 ASN : amide:sc= 0.904 X(o=0.9,f=0.77) USER MOD Single : A 132 SER OG B: rot 86:sc= 2.26 USER MOD Single : A 132 SER OG C: rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot 84:sc= 1.63 USER MOD Single : A 138 TYR OH : rot -37:sc= 0.732 USER MOD Single : A 146 LYS NZ :NH3+ 171:sc= 0.563 (180deg=0.52) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 MET CE :methyl 151:sc= -0.277 (180deg=-1.38!) USER MOD Single : A 155 HEM CMA :methyl -30:sc= -0.477 (180deg=-1.54) USER MOD Single : A 155 HEM CMB :methyl -30:sc= -0.619 (180deg=-2.5!) USER MOD Single : A 155 HEM CMC :methyl -30:sc= -0.277 (180deg=-2.69!) USER MOD Single : A 155 HEM CMD :methyl 150:sc= -0.365 (180deg=-0.365) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 35.518 49.445 32.398 1.00 54.70 N ATOM 2 CA GLY A 1 36.631 48.990 31.650 1.00 54.01 C ATOM 3 C GLY A 1 36.636 49.360 30.169 1.00 60.73 C ATOM 4 O GLY A 1 37.747 49.775 29.602 0.00 0.00 O ATOM 0 H1 GLY A 1 35.680 49.339 33.267 1.00 54.70 H new ATOM 0 H2 GLY A 1 35.377 50.307 32.226 1.00 54.70 H new ATOM 0 H3 GLY A 1 34.796 48.976 32.172 1.00 54.70 H new ATOM 0 HA2 GLY A 1 37.438 49.343 32.056 1.00 54.01 H new ATOM 0 HA3 GLY A 1 36.675 48.024 31.724 1.00 54.01 H new ATOM 5 N ALA A 2 35.408 49.211 29.622 1.00 56.50 N ATOM 6 CA ALA A 2 34.971 49.493 28.255 1.00 53.01 C ATOM 7 C ALA A 2 34.687 48.252 27.358 1.00 44.90 C ATOM 8 O ALA A 2 33.544 47.968 26.826 1.00 51.31 O ATOM 9 CB ALA A 2 35.918 50.625 27.524 0.00 0.00 C ATOM 0 H ALA A 2 34.756 48.913 30.097 1.00 56.50 H new ATOM 0 HA ALA A 2 34.088 49.879 28.364 1.00 53.01 H new ATOM 0 HB1 ALA A 2 35.596 50.783 26.623 0.00 0.00 H new ATOM 0 HB2 ALA A 2 35.882 51.452 28.029 0.00 0.00 H new ATOM 0 HB3 ALA A 2 36.834 50.307 27.489 0.00 0.00 H new ATOM 10 N LEU A 3 35.783 47.763 27.026 1.00 48.00 N ATOM 11 CA LEU A 3 36.012 46.826 25.950 1.00 31.04 C ATOM 12 C LEU A 3 36.993 47.481 24.898 1.00 33.00 C ATOM 13 O LEU A 3 36.628 47.813 23.759 1.00 33.27 O ATOM 14 CB LEU A 3 34.807 45.834 25.412 1.00 33.62 C ATOM 15 CG LEU A 3 34.597 44.540 26.274 1.00 34.79 C ATOM 16 CD1 LEU A 3 33.100 44.038 26.605 1.00 40.23 C ATOM 17 CD2 LEU A 3 35.281 43.415 25.647 1.00 37.40 C ATOM 0 H LEU A 3 36.509 47.965 27.440 1.00 48.00 H new ATOM 0 HA LEU A 3 36.453 46.064 26.357 1.00 31.04 H new ATOM 0 HB2 LEU A 3 33.976 46.334 25.392 1.00 33.62 H new ATOM 0 HB3 LEU A 3 35.002 45.572 24.499 1.00 33.62 H new ATOM 0 HG LEU A 3 34.956 44.825 27.129 1.00 34.79 H new ATOM 0 HD11 LEU A 3 33.140 43.232 27.143 1.00 40.23 H new ATOM 0 HD12 LEU A 3 32.628 44.729 27.095 1.00 40.23 H new ATOM 0 HD13 LEU A 3 32.631 43.851 25.777 1.00 40.23 H new ATOM 0 HD21 LEU A 3 35.149 42.617 26.182 1.00 37.40 H new ATOM 0 HD22 LEU A 3 34.920 43.271 24.758 1.00 37.40 H new ATOM 0 HD23 LEU A 3 36.229 43.608 25.583 1.00 37.40 H new ATOM 18 N THR A 4 38.235 47.621 25.334 1.00 24.26 N ATOM 19 CA THR A 4 39.406 48.085 24.517 1.00 27.72 C ATOM 20 C THR A 4 39.682 46.938 23.614 1.00 17.43 C ATOM 21 O THR A 4 39.144 45.740 23.849 1.00 19.69 O ATOM 22 CB THR A 4 40.642 48.459 25.431 1.00 30.52 C ATOM 23 OG1 THR A 4 41.008 47.231 25.957 1.00 32.45 O ATOM 24 CG2 THR A 4 40.344 49.399 26.579 1.00 29.52 C ATOM 0 H THR A 4 38.452 47.446 26.148 1.00 24.26 H new ATOM 0 HA THR A 4 39.226 48.899 24.021 1.00 27.72 H new ATOM 0 HB THR A 4 41.310 48.928 24.907 1.00 30.52 H new ATOM 0 HG1 THR A 4 41.840 47.136 25.894 1.00 32.45 H new ATOM 0 HG21 THR A 4 41.158 49.568 27.079 1.00 29.52 H new ATOM 0 HG22 THR A 4 39.999 50.236 26.231 1.00 29.52 H new ATOM 0 HG23 THR A 4 39.684 48.996 27.164 1.00 29.52 H new ATOM 25 N GLU A 5 40.470 47.318 22.610 1.00 15.38 N ATOM 26 CA GLU A 5 40.848 46.362 21.648 1.00 18.68 C ATOM 27 C GLU A 5 41.579 45.316 22.324 1.00 28.10 C ATOM 28 O GLU A 5 41.383 44.111 21.925 1.00 26.44 O ATOM 29 CB GLU A 5 41.743 47.177 20.587 1.00 25.78 C ATOM 30 CG GLU A 5 41.951 46.351 19.329 1.00 51.32 C ATOM 31 CD GLU A 5 42.392 47.352 18.202 1.00 54.59 C ATOM 32 OE1 GLU A 5 41.512 47.950 17.667 1.00 49.02 O ATOM 33 OE2 GLU A 5 43.613 47.889 18.125 1.00 48.73 O ATOM 0 H GLU A 5 40.778 48.112 22.490 1.00 15.38 H new ATOM 0 HA GLU A 5 40.109 45.933 21.190 1.00 18.68 H new ATOM 0 HB2 GLU A 5 41.308 48.015 20.363 1.00 25.78 H new ATOM 0 HB3 GLU A 5 42.601 47.399 20.981 1.00 25.78 H new ATOM 0 HG2 GLU A 5 42.629 45.671 19.471 1.00 51.32 H new ATOM 0 HG3 GLU A 5 41.135 45.890 19.080 1.00 51.32 H new ATOM 34 N SER A 6 42.261 45.725 23.416 1.00 20.93 N ATOM 35 CA SER A 6 42.974 44.794 24.166 1.00 17.44 C ATOM 36 C SER A 6 42.018 43.793 25.001 1.00 13.62 C ATOM 37 O SER A 6 42.171 42.570 25.020 1.00 17.77 O ATOM 38 CB SER A 6 44.100 45.541 25.064 1.00 19.06 C ATOM 39 OG SER A 6 43.514 46.056 26.227 1.00 48.63 O ATOM 0 H SER A 6 42.297 46.535 23.701 1.00 20.93 H new ATOM 0 HA SER A 6 43.445 44.207 23.554 1.00 17.44 H new ATOM 0 HB2 SER A 6 44.806 44.918 25.296 1.00 19.06 H new ATOM 0 HB3 SER A 6 44.510 46.257 24.554 1.00 19.06 H new ATOM 0 HG SER A 6 44.100 46.441 26.690 1.00 48.63 H new ATOM 40 N GLN A 7 41.011 44.280 25.578 1.00 9.46 N ATOM 41 CA GLN A 7 39.991 43.371 26.335 1.00 13.74 C ATOM 42 C GLN A 7 39.223 42.281 25.442 1.00 15.64 C ATOM 43 O GLN A 7 39.014 41.070 25.827 1.00 16.83 O ATOM 44 CB GLN A 7 38.971 44.148 27.022 1.00 13.91 C ATOM 45 CG GLN A 7 39.583 44.924 28.262 1.00 22.65 C ATOM 46 CD GLN A 7 38.537 45.710 28.856 1.00 28.63 C ATOM 47 OE1 GLN A 7 38.167 46.647 28.182 1.00 27.89 O ATOM 48 NE2 GLN A 7 38.421 45.620 30.172 1.00 31.85 N ATOM 0 H GLN A 7 40.823 45.119 25.594 1.00 9.46 H new ATOM 0 HA GLN A 7 40.565 42.895 26.955 1.00 13.74 H new ATOM 0 HB2 GLN A 7 38.573 44.781 26.405 1.00 13.91 H new ATOM 0 HB3 GLN A 7 38.261 43.560 27.323 1.00 13.91 H new ATOM 0 HG2 GLN A 7 39.945 44.298 28.908 1.00 22.65 H new ATOM 0 HG3 GLN A 7 40.315 45.493 27.978 1.00 22.65 H new ATOM 0 HE21 GLN A 7 38.708 44.921 30.582 1.00 31.85 H new ATOM 0 HE22 GLN A 7 38.058 46.261 30.617 1.00 31.85 H new ATOM 49 N ALA A 8 38.865 42.723 24.278 1.00 18.25 N ATOM 50 CA ALA A 8 38.082 41.821 23.312 1.00 23.23 C ATOM 51 C ALA A 8 38.870 40.743 22.787 1.00 24.67 C ATOM 52 O ALA A 8 38.279 39.552 22.605 1.00 21.16 O ATOM 53 CB ALA A 8 37.629 42.637 22.136 1.00 14.78 C ATOM 0 H ALA A 8 39.034 43.513 23.982 1.00 18.25 H new ATOM 0 HA ALA A 8 37.343 41.451 23.820 1.00 23.23 H new ATOM 0 HB1 ALA A 8 37.134 42.073 21.522 1.00 14.78 H new ATOM 0 HB2 ALA A 8 37.058 43.359 22.443 1.00 14.78 H new ATOM 0 HB3 ALA A 8 38.402 43.008 21.682 1.00 14.78 H new ATOM 54 N ALA A 9 40.180 41.146 22.650 1.00 23.68 N ATOM 55 CA ALA A 9 41.092 40.213 22.225 1.00 17.93 C ATOM 56 C ALA A 9 41.205 39.149 23.292 1.00 16.92 C ATOM 57 O ALA A 9 41.373 37.975 22.959 1.00 22.21 O ATOM 58 CB ALA A 9 42.516 40.992 21.944 1.00 20.35 C ATOM 0 H ALA A 9 40.486 41.934 22.807 1.00 23.68 H new ATOM 0 HA ALA A 9 40.824 39.776 21.401 1.00 17.93 H new ATOM 0 HB1 ALA A 9 43.180 40.353 21.641 1.00 20.35 H new ATOM 0 HB2 ALA A 9 42.385 41.669 21.262 1.00 20.35 H new ATOM 0 HB3 ALA A 9 42.822 41.413 22.763 1.00 20.35 H new ATOM 59 N LEU A 10 41.093 39.560 24.531 1.00 14.19 N ATOM 60 CA LEU A 10 41.171 38.638 25.659 1.00 16.53 C ATOM 61 C LEU A 10 39.884 37.613 25.774 1.00 16.33 C ATOM 62 O LEU A 10 39.956 36.400 26.048 1.00 13.75 O ATOM 63 CB LEU A 10 41.401 39.421 26.986 1.00 18.61 C ATOM 64 CG LEU A 10 42.864 40.153 27.138 1.00 20.94 C ATOM 65 CD1 LEU A 10 43.020 41.030 28.411 1.00 20.56 C ATOM 66 CD2 LEU A 10 43.870 39.133 27.138 1.00 25.63 C ATOM 0 H LEU A 10 40.969 40.381 24.753 1.00 14.19 H new ATOM 0 HA LEU A 10 41.936 38.066 25.493 1.00 16.53 H new ATOM 0 HB2 LEU A 10 40.710 40.097 27.067 1.00 18.61 H new ATOM 0 HB3 LEU A 10 41.286 38.807 27.728 1.00 18.61 H new ATOM 0 HG LEU A 10 42.954 40.764 26.390 1.00 20.94 H new ATOM 0 HD11 LEU A 10 43.906 41.424 28.426 1.00 20.56 H new ATOM 0 HD12 LEU A 10 42.353 41.734 28.403 1.00 20.56 H new ATOM 0 HD13 LEU A 10 42.898 40.480 29.200 1.00 20.56 H new ATOM 0 HD21 LEU A 10 44.745 39.541 27.227 1.00 25.63 H new ATOM 0 HD22 LEU A 10 43.719 38.529 27.882 1.00 25.63 H new ATOM 0 HD23 LEU A 10 43.828 38.637 26.305 1.00 25.63 H new ATOM 67 N VAL A 11 38.755 38.086 25.508 1.00 19.21 N ATOM 68 CA VAL A 11 37.455 37.175 25.500 1.00 17.37 C ATOM 69 C VAL A 11 37.405 36.145 24.372 1.00 16.47 C ATOM 70 O VAL A 11 37.020 34.913 24.610 1.00 16.40 O ATOM 71 CB VAL A 11 36.250 37.964 25.418 1.00 17.69 C ATOM 72 CG1 VAL A 11 34.881 37.030 25.223 1.00 14.78 C ATOM 73 CG2 VAL A 11 36.199 38.869 26.654 1.00 7.89 C ATOM 0 H VAL A 11 38.612 38.912 25.317 1.00 19.21 H new ATOM 0 HA VAL A 11 37.507 36.698 26.343 1.00 17.37 H new ATOM 0 HB VAL A 11 36.270 38.516 24.620 1.00 17.69 H new ATOM 0 HG11 VAL A 11 34.101 37.605 25.174 1.00 14.78 H new ATOM 0 HG12 VAL A 11 34.955 36.514 24.405 1.00 14.78 H new ATOM 0 HG13 VAL A 11 34.790 36.427 25.977 1.00 14.78 H new ATOM 0 HG21 VAL A 11 35.396 39.412 26.624 1.00 7.89 H new ATOM 0 HG22 VAL A 11 36.190 38.322 27.455 1.00 7.89 H new ATOM 0 HG23 VAL A 11 36.979 39.446 26.665 1.00 7.89 H new ATOM 74 N LYS A 12 37.924 36.613 23.224 1.00 17.39 N ATOM 75 CA LYS A 12 37.919 35.714 22.066 1.00 13.81 C ATOM 76 C LYS A 12 38.798 34.617 22.255 1.00 10.42 C ATOM 77 O LYS A 12 38.361 33.414 21.937 1.00 14.22 O ATOM 78 CB LYS A 12 38.335 36.513 20.779 1.00 17.45 C ATOM 79 CG LYS A 12 38.174 35.568 19.556 1.00 27.23 C ATOM 80 CD LYS A 12 38.496 36.333 18.235 1.00 34.57 C ATOM 81 CE LYS A 12 38.426 35.342 17.049 1.00 40.38 C ATOM 82 NZ LYS A 12 37.091 34.491 17.004 0.00 0.00 N ATOM 0 H LYS A 12 38.261 37.394 23.101 1.00 17.39 H new ATOM 0 HA LYS A 12 37.021 35.362 21.961 1.00 13.81 H new ATOM 0 HB2 LYS A 12 37.779 37.301 20.674 1.00 17.45 H new ATOM 0 HB3 LYS A 12 39.252 36.820 20.852 1.00 17.45 H new ATOM 0 HG2 LYS A 12 38.766 34.806 19.648 1.00 27.23 H new ATOM 0 HG3 LYS A 12 37.269 35.221 19.524 1.00 27.23 H new ATOM 0 HD2 LYS A 12 37.864 37.057 18.104 1.00 34.57 H new ATOM 0 HD3 LYS A 12 39.378 36.733 18.286 1.00 34.57 H new ATOM 0 HE2 LYS A 12 38.512 35.837 16.219 1.00 40.38 H new ATOM 0 HE3 LYS A 12 39.183 34.738 17.098 1.00 40.38 H new ATOM 0 HZ1 LYS A 12 37.111 33.943 16.303 0.00 0.00 H new ATOM 0 HZ2 LYS A 12 37.018 34.013 17.751 0.00 0.00 H new ATOM 0 HZ3 LYS A 12 36.392 35.038 16.932 0.00 0.00 H new ATOM 83 N SER A 13 39.984 35.028 22.783 1.00 12.84 N ATOM 84 CA SER A 13 40.936 34.085 23.035 1.00 13.02 C ATOM 85 C SER A 13 40.414 33.013 24.077 1.00 15.97 C ATOM 86 O SER A 13 40.550 31.794 23.910 1.00 12.38 O ATOM 87 CB SER A 13 42.275 34.895 23.531 1.00 6.52 C ATOM 88 OG SER A 13 43.191 33.968 23.813 1.00 46.46 O ATOM 0 H SER A 13 40.194 35.839 22.976 1.00 12.84 H new ATOM 0 HA SER A 13 41.152 33.567 22.244 1.00 13.02 H new ATOM 0 HB2 SER A 13 42.592 35.495 22.838 1.00 6.52 H new ATOM 0 HB3 SER A 13 42.081 35.438 24.311 1.00 6.52 H new ATOM 0 HG SER A 13 43.011 33.611 24.552 1.00 46.46 H new ATOM 89 N SER A 14 39.833 33.462 25.133 1.00 15.29 N ATOM 90 CA SER A 14 39.276 32.540 26.209 1.00 14.50 C ATOM 91 C SER A 14 37.997 31.614 25.767 1.00 15.96 C ATOM 92 O SER A 14 37.770 30.404 26.143 1.00 14.27 O ATOM 93 CB SER A 14 38.974 33.335 27.459 1.00 11.30 C ATOM 94 OG SER A 14 38.027 34.220 27.131 1.00 17.87 O ATOM 0 H SER A 14 39.723 34.299 25.297 1.00 15.29 H new ATOM 0 HA SER A 14 39.978 31.892 26.380 1.00 14.50 H new ATOM 0 HB2 SER A 14 38.669 32.753 28.172 1.00 11.30 H new ATOM 0 HB3 SER A 14 39.770 33.786 27.781 1.00 11.30 H new ATOM 0 HG SER A 14 37.906 34.206 26.300 1.00 17.87 H new ATOM 95 N TRP A 15 37.270 32.126 24.870 1.00 14.12 N ATOM 96 CA TRP A 15 36.091 31.290 24.287 1.00 20.13 C ATOM 97 C TRP A 15 36.488 30.218 23.340 1.00 19.79 C ATOM 98 O TRP A 15 35.859 29.025 23.362 1.00 13.72 O ATOM 99 CB TRP A 15 35.160 32.180 23.607 1.00 15.69 C ATOM 100 CG TRP A 15 33.903 31.291 23.029 1.00 31.21 C ATOM 101 CD1 TRP A 15 32.796 30.616 23.645 1.00 29.36 C ATOM 102 CD2 TRP A 15 33.753 30.946 21.687 1.00 23.80 C ATOM 103 NE1 TRP A 15 31.955 29.856 22.690 1.00 26.11 N ATOM 104 CE2 TRP A 15 32.524 30.055 21.550 1.00 32.73 C ATOM 105 CE3 TRP A 15 34.607 31.317 20.618 1.00 19.60 C ATOM 106 CZ2 TRP A 15 32.084 29.509 20.330 1.00 35.82 C ATOM 107 CZ3 TRP A 15 34.170 30.765 19.393 1.00 36.36 C ATOM 108 CH2 TRP A 15 32.947 29.886 19.252 1.00 43.10 C ATOM 0 H TRP A 15 37.367 32.915 24.541 1.00 14.12 H new ATOM 0 HA TRP A 15 35.689 30.846 25.050 1.00 20.13 H new ATOM 0 HB2 TRP A 15 34.837 32.860 24.219 1.00 15.69 H new ATOM 0 HB3 TRP A 15 35.607 32.642 22.880 1.00 15.69 H new ATOM 0 HD1 TRP A 15 32.623 30.652 24.558 1.00 29.36 H new ATOM 0 HE1 TRP A 15 31.251 29.391 22.857 1.00 26.11 H new ATOM 0 HE3 TRP A 15 35.360 31.855 20.711 1.00 19.60 H new ATOM 0 HZ2 TRP A 15 31.330 28.973 20.236 1.00 35.82 H new ATOM 0 HZ3 TRP A 15 34.664 30.953 18.628 1.00 36.36 H new ATOM 0 HH2 TRP A 15 32.741 29.567 18.403 1.00 43.10 H new ATOM 109 N GLU A 16 37.598 30.580 22.641 1.00 17.68 N ATOM 110 CA GLU A 16 38.118 29.575 21.807 1.00 18.79 C ATOM 111 C GLU A 16 38.600 28.463 22.633 1.00 18.91 C ATOM 112 O GLU A 16 38.225 27.249 22.301 1.00 20.09 O ATOM 113 CB GLU A 16 39.237 30.246 20.857 1.00 24.61 C ATOM 114 CG GLU A 16 38.643 31.124 19.813 1.00 38.87 C ATOM 115 CD GLU A 16 39.763 31.859 18.929 1.00 43.83 C ATOM 116 OE1 GLU A 16 40.925 32.204 19.415 1.00 42.67 O ATOM 117 OE2 GLU A 16 39.428 32.507 17.940 1.00 43.99 O ATOM 0 H GLU A 16 38.003 31.338 22.656 1.00 17.68 H new ATOM 0 HA GLU A 16 37.446 29.191 21.222 1.00 18.79 H new ATOM 0 HB2 GLU A 16 39.851 30.764 21.401 1.00 24.61 H new ATOM 0 HB3 GLU A 16 39.757 29.547 20.431 1.00 24.61 H new ATOM 0 HG2 GLU A 16 38.072 30.595 19.234 1.00 38.87 H new ATOM 0 HG3 GLU A 16 38.079 31.790 20.236 1.00 38.87 H new ATOM 118 N GLU A 17 39.212 28.854 23.774 1.00 8.21 N ATOM 119 CA GLU A 17 39.577 27.835 24.703 1.00 11.41 C ATOM 120 C GLU A 17 38.347 26.905 25.253 1.00 21.21 C ATOM 121 O GLU A 17 38.383 25.659 25.346 1.00 16.57 O ATOM 122 CB GLU A 17 40.444 28.455 25.881 1.00 9.96 C ATOM 123 CG GLU A 17 41.942 28.870 25.507 1.00 37.28 C ATOM 124 CD GLU A 17 42.749 29.083 26.805 1.00 41.13 C ATOM 125 OE1 GLU A 17 43.155 28.082 27.341 1.00 40.38 O ATOM 126 OE2 GLU A 17 42.531 30.030 27.555 1.00 39.96 O ATOM 0 H GLU A 17 39.404 29.662 23.996 1.00 8.21 H new ATOM 0 HA GLU A 17 40.119 27.205 24.203 1.00 11.41 H new ATOM 0 HB2 GLU A 17 39.985 29.240 26.218 1.00 9.96 H new ATOM 0 HB3 GLU A 17 40.477 27.812 26.607 1.00 9.96 H new ATOM 0 HG2 GLU A 17 42.355 28.179 24.966 1.00 37.28 H new ATOM 0 HG3 GLU A 17 41.941 29.682 24.977 1.00 37.28 H new ATOM 127 N PHE A 18 37.297 27.493 25.566 1.00 17.15 N ATOM 128 CA PHE A 18 36.024 26.712 26.057 1.00 13.30 C ATOM 129 C PHE A 18 35.456 25.656 25.017 1.00 14.32 C ATOM 130 O PHE A 18 35.078 24.435 25.320 1.00 14.08 O ATOM 131 CB PHE A 18 34.989 27.683 26.331 1.00 11.80 C ATOM 132 CG PHE A 18 33.573 26.942 26.728 1.00 16.19 C ATOM 133 CD1 PHE A 18 33.305 26.564 28.035 1.00 16.75 C ATOM 134 CD2 PHE A 18 32.580 26.637 25.771 1.00 18.98 C ATOM 135 CE1 PHE A 18 32.048 25.860 28.386 1.00 15.89 C ATOM 136 CE2 PHE A 18 31.323 25.929 26.114 1.00 11.55 C ATOM 137 CZ PHE A 18 31.058 25.533 27.422 1.00 5.36 C ATOM 0 H PHE A 18 37.199 28.347 25.536 1.00 17.15 H new ATOM 0 HA PHE A 18 36.290 26.205 26.840 1.00 13.30 H new ATOM 0 HB2 PHE A 18 35.269 28.263 27.057 1.00 11.80 H new ATOM 0 HB3 PHE A 18 34.856 28.247 25.553 1.00 11.80 H new ATOM 0 HD1 PHE A 18 33.924 26.755 28.702 1.00 16.75 H new ATOM 0 HD2 PHE A 18 32.721 26.891 24.888 1.00 18.98 H new ATOM 0 HE1 PHE A 18 31.902 25.623 29.273 1.00 15.89 H new ATOM 0 HE2 PHE A 18 30.703 25.747 25.446 1.00 11.55 H new ATOM 0 HZ PHE A 18 30.278 25.081 27.651 1.00 5.36 H new ATOM 138 N ASN A 19 35.446 26.137 23.804 1.00 19.34 N ATOM 139 CA ASN A 19 34.859 25.315 22.685 1.00 13.06 C ATOM 140 C ASN A 19 35.639 24.167 22.354 1.00 20.73 C ATOM 141 O ASN A 19 35.094 23.158 21.697 1.00 23.10 O ATOM 142 CB ASN A 19 34.856 26.234 21.460 1.00 20.32 C ATOM 143 CG ASN A 19 33.451 25.959 20.845 1.00 40.28 C ATOM 144 OD1 ASN A 19 32.442 25.865 21.608 1.00 41.54 O ATOM 145 ND2 ASN A 19 33.417 25.464 19.627 1.00 43.64 N ATOM 0 H ASN A 19 35.754 26.907 23.575 1.00 19.34 H new ATOM 0 HA ASN A 19 33.984 24.996 22.956 1.00 13.06 H new ATOM 0 HB2 ASN A 19 34.968 27.166 21.706 1.00 20.32 H new ATOM 0 HB3 ASN A 19 35.571 26.016 20.842 1.00 20.32 H new ATOM 0 HD21 ASN A 19 32.706 25.072 19.342 1.00 43.64 H new ATOM 0 HD22 ASN A 19 34.105 25.532 19.116 1.00 43.64 H new ATOM 146 N ALA A 20 36.888 24.338 22.807 1.00 22.65 N ATOM 147 CA ALA A 20 37.790 23.353 22.539 1.00 20.36 C ATOM 148 C ALA A 20 37.391 22.048 23.320 1.00 26.30 C ATOM 149 O ALA A 20 37.811 20.984 22.961 1.00 25.11 O ATOM 150 CB ALA A 20 39.266 23.943 22.876 1.00 30.26 C ATOM 0 H ALA A 20 37.178 25.013 23.254 1.00 22.65 H new ATOM 0 HA ALA A 20 37.798 23.088 21.606 1.00 20.36 H new ATOM 0 HB1 ALA A 20 39.935 23.264 22.695 1.00 30.26 H new ATOM 0 HB2 ALA A 20 39.438 24.721 22.323 1.00 30.26 H new ATOM 0 HB3 ALA A 20 39.308 24.197 23.811 1.00 30.26 H new ATOM 151 N ASN A 21 36.566 22.107 24.332 1.00 14.17 N ATOM 152 CA ASN A 21 36.094 20.861 25.087 1.00 15.71 C ATOM 153 C ASN A 21 34.681 20.820 25.662 1.00 17.94 C ATOM 154 O ASN A 21 34.510 20.766 26.907 1.00 18.29 O ATOM 155 CB ASN A 21 37.093 20.652 26.208 1.00 10.31 C ATOM 156 CG ASN A 21 36.927 19.162 26.607 1.00 15.25 C ATOM 157 OD1 ASN A 21 35.754 18.430 26.326 1.00 25.38 O flip ATOM 158 ND2 ASN A 21 37.777 18.777 27.385 1.00 16.18 N flip ATOM 0 H ASN A 21 36.239 22.843 24.635 1.00 14.17 H new ATOM 0 HA ASN A 21 36.050 20.162 24.416 1.00 15.71 H new ATOM 0 HB2 ASN A 21 37.998 20.840 25.914 1.00 10.31 H new ATOM 0 HB3 ASN A 21 36.911 21.240 26.957 1.00 10.31 H new ATOM 0 HD21 ASN A 21 38.478 19.255 27.527 1.00 16.18 H new ATOM 0 HD22 ASN A 21 37.678 18.027 27.793 1.00 16.18 H new ATOM 159 N ILE A 22 33.738 20.876 24.758 1.00 9.34 N ATOM 160 CA ILE A 22 32.295 20.790 25.082 1.00 8.01 C ATOM 161 C ILE A 22 31.761 19.710 26.109 1.00 7.98 C ATOM 162 O ILE A 22 31.213 20.095 27.136 1.00 11.25 O ATOM 163 CB ILE A 22 31.383 20.727 23.828 1.00 15.04 C ATOM 164 CG1 ILE A 22 31.621 22.078 23.057 1.00 19.69 C ATOM 165 CG2 ILE A 22 29.866 20.294 24.147 1.00 11.26 C ATOM 166 CD1 ILE A 22 31.149 23.238 23.854 1.00 19.46 C ATOM 0 H ILE A 22 33.898 20.966 23.918 1.00 9.34 H new ATOM 0 HA ILE A 22 32.233 21.631 25.561 1.00 8.01 H new ATOM 0 HB ILE A 22 31.618 19.999 23.232 1.00 15.04 H new ATOM 0 HG12 ILE A 22 32.565 22.180 22.860 1.00 19.69 H new ATOM 0 HG13 ILE A 22 31.155 22.055 22.207 1.00 19.69 H new ATOM 0 HG21 ILE A 22 29.355 20.275 23.323 1.00 11.26 H new ATOM 0 HG22 ILE A 22 29.859 19.412 24.552 1.00 11.26 H new ATOM 0 HG23 ILE A 22 29.469 20.933 24.759 1.00 11.26 H new ATOM 0 HD11 ILE A 22 31.306 24.057 23.358 1.00 19.46 H new ATOM 0 HD12 ILE A 22 30.200 23.145 24.031 1.00 19.46 H new ATOM 0 HD13 ILE A 22 31.632 23.271 24.695 1.00 19.46 H new ATOM 167 N PRO A 23 31.958 18.440 25.952 1.00 15.06 N ATOM 168 CA PRO A 23 31.380 17.401 26.917 1.00 9.01 C ATOM 169 C PRO A 23 31.897 17.666 28.340 1.00 17.89 C ATOM 170 O PRO A 23 31.061 17.528 29.287 1.00 17.33 O ATOM 171 CB PRO A 23 31.660 16.019 26.416 1.00 12.69 C ATOM 172 CG PRO A 23 32.238 16.253 25.002 1.00 14.86 C ATOM 173 CD PRO A 23 32.497 17.795 24.775 1.00 11.41 C ATOM 0 HA PRO A 23 30.414 17.479 26.959 1.00 9.01 H new ATOM 0 HB2 PRO A 23 32.292 15.554 26.987 1.00 12.69 H new ATOM 0 HB3 PRO A 23 30.854 15.480 26.387 1.00 12.69 H new ATOM 0 HG2 PRO A 23 33.066 15.759 24.897 1.00 14.86 H new ATOM 0 HG3 PRO A 23 31.621 15.919 24.332 1.00 14.86 H new ATOM 0 HD2 PRO A 23 33.444 17.981 24.674 1.00 11.41 H new ATOM 0 HD3 PRO A 23 32.058 18.110 23.969 1.00 11.41 H new ATOM 174 N LYS A 24 33.174 18.214 28.476 1.00 17.82 N ATOM 175 CA LYS A 24 33.716 18.557 29.814 1.00 19.00 C ATOM 176 C LYS A 24 33.210 19.792 30.406 1.00 17.28 C ATOM 177 O LYS A 24 32.749 19.754 31.578 1.00 15.01 O ATOM 178 CB LYS A 24 35.279 18.760 29.821 1.00 17.15 C ATOM 179 CG LYS A 24 35.851 18.870 31.257 1.00 27.75 C ATOM 180 CD LYS A 24 37.396 18.890 31.317 1.00 36.63 C ATOM 181 CE LYS A 24 38.202 20.125 30.613 0.00 0.00 C ATOM 182 NZ LYS A 24 39.662 20.159 30.812 0.00 0.00 N ATOM 0 H LYS A 24 33.704 18.380 27.819 1.00 17.82 H new ATOM 0 HA LYS A 24 33.426 17.785 30.325 1.00 19.00 H new ATOM 0 HB2 LYS A 24 35.702 18.017 29.363 1.00 17.15 H new ATOM 0 HB3 LYS A 24 35.501 19.563 29.324 1.00 17.15 H new ATOM 0 HG2 LYS A 24 35.510 19.678 31.670 1.00 27.75 H new ATOM 0 HG3 LYS A 24 35.525 18.123 31.783 1.00 27.75 H new ATOM 0 HD2 LYS A 24 37.653 18.868 32.252 1.00 36.63 H new ATOM 0 HD3 LYS A 24 37.715 18.066 30.916 1.00 36.63 H new ATOM 0 HE2 LYS A 24 38.027 20.097 29.659 0.00 0.00 H new ATOM 0 HE3 LYS A 24 37.831 20.957 30.945 0.00 0.00 H new ATOM 0 HZ1 LYS A 24 40.003 20.865 30.391 0.00 0.00 H new ATOM 0 HZ2 LYS A 24 39.842 20.217 31.682 0.00 0.00 H new ATOM 0 HZ3 LYS A 24 40.024 19.415 30.483 0.00 0.00 H new ATOM 183 N HIS A 25 33.344 20.864 29.631 1.00 9.44 N ATOM 184 CA HIS A 25 33.085 22.172 30.146 1.00 9.11 C ATOM 185 C HIS A 25 31.600 22.271 30.392 1.00 10.16 C ATOM 186 O HIS A 25 31.274 22.976 31.344 1.00 11.82 O ATOM 187 CB HIS A 25 33.740 23.325 29.234 1.00 5.33 C ATOM 188 CG HIS A 25 35.280 23.359 29.159 1.00 16.33 C ATOM 189 ND1 HIS A 25 36.018 23.013 30.261 1.00 21.68 N ATOM 190 CD2 HIS A 25 36.126 23.669 28.125 1.00 13.84 C ATOM 191 CE1 HIS A 25 37.385 23.123 29.866 1.00 16.83 C ATOM 192 NE2 HIS A 25 37.445 23.529 28.518 1.00 18.25 N ATOM 0 H HIS A 25 33.585 20.841 28.806 1.00 9.44 H new ATOM 0 HA HIS A 25 33.526 22.320 30.997 1.00 9.11 H new ATOM 0 HB2 HIS A 25 33.395 23.230 28.332 1.00 5.33 H new ATOM 0 HB3 HIS A 25 33.434 24.184 29.566 1.00 5.33 H new ATOM 0 HD1 HIS A 25 35.719 22.778 31.032 1.00 21.68 H new ATOM 0 HD2 HIS A 25 35.851 23.936 27.278 1.00 13.84 H new ATOM 0 HE1 HIS A 25 38.119 22.954 30.411 1.00 16.83 H new ATOM 193 N THR A 26 30.726 21.572 29.583 1.00 13.92 N ATOM 194 CA THR A 26 29.271 21.579 29.748 1.00 10.91 C ATOM 195 C THR A 26 28.694 20.719 30.934 1.00 8.21 C ATOM 196 O THR A 26 27.823 21.114 31.678 1.00 10.87 O ATOM 197 CB THR A 26 28.480 21.112 28.464 1.00 14.57 C ATOM 198 OG1 THR A 26 28.659 19.755 28.134 1.00 12.34 O ATOM 199 CG2 THR A 26 28.897 22.073 27.277 1.00 13.92 C ATOM 0 H THR A 26 30.991 21.085 28.926 1.00 13.92 H new ATOM 0 HA THR A 26 29.131 22.519 29.940 1.00 10.91 H new ATOM 0 HB THR A 26 27.529 21.177 28.646 1.00 14.57 H new ATOM 0 HG1 THR A 26 29.415 19.649 27.783 1.00 12.34 H new ATOM 0 HG21 THR A 26 28.427 21.813 26.469 1.00 13.92 H new ATOM 0 HG22 THR A 26 28.666 22.987 27.504 1.00 13.92 H new ATOM 0 HG23 THR A 26 29.853 22.009 27.129 1.00 13.92 H new ATOM 200 N HIS A 27 29.253 19.640 31.168 1.00 10.05 N ATOM 201 CA HIS A 27 28.878 18.794 32.347 1.00 8.29 C ATOM 202 C HIS A 27 29.343 19.573 33.619 1.00 8.26 C ATOM 203 O HIS A 27 28.558 19.590 34.601 1.00 8.52 O ATOM 204 CB HIS A 27 29.560 17.519 32.234 1.00 11.70 C ATOM 205 CG HIS A 27 29.531 16.708 33.544 1.00 13.39 C ATOM 206 ND1 HIS A 27 28.376 15.818 33.961 1.00 18.11 N ATOM 207 CD2 HIS A 27 30.522 16.697 34.448 1.00 12.40 C ATOM 208 CE1 HIS A 27 28.698 15.255 35.188 1.00 14.60 C ATOM 209 NE2 HIS A 27 30.044 15.810 35.482 1.00 20.07 N ATOM 0 H HIS A 27 29.880 19.310 30.681 1.00 10.05 H new ATOM 0 HA HIS A 27 27.925 18.622 32.394 1.00 8.29 H new ATOM 0 HB2 HIS A 27 29.148 16.998 31.527 1.00 11.70 H new ATOM 0 HB3 HIS A 27 30.482 17.672 31.974 1.00 11.70 H new ATOM 0 HD2 HIS A 27 31.331 17.155 34.416 1.00 12.40 H new ATOM 0 HE1 HIS A 27 28.192 14.670 35.703 1.00 14.60 H new ATOM 0 HE2 HIS A 27 30.491 15.623 36.192 1.00 20.07 H new ATOM 210 N ARG A 28 30.552 20.298 33.531 1.00 11.96 N ATOM 211 CA ARG A 28 31.146 21.143 34.637 1.00 14.37 C ATOM 212 C ARG A 28 30.348 22.284 34.967 1.00 14.50 C ATOM 213 O ARG A 28 30.134 22.552 36.169 1.00 14.76 O ATOM 214 CB ARG A 28 32.631 21.727 34.319 1.00 12.89 C ATOM 215 CG ARG A 28 33.341 22.491 35.522 1.00 32.43 C ATOM 216 CD ARG A 28 33.399 21.560 36.742 1.00 34.26 C ATOM 217 NE ARG A 28 34.001 22.370 37.874 1.00 39.09 N ATOM 218 CZ ARG A 28 33.841 22.035 39.143 1.00 38.88 C ATOM 219 NH1 ARG A 28 33.123 20.873 39.498 1.00 37.25 N ATOM 220 NH2 ARG A 28 34.454 22.865 40.055 1.00 39.35 N ATOM 0 H ARG A 28 31.033 20.298 32.818 1.00 11.96 H new ATOM 0 HA ARG A 28 31.186 20.511 35.372 1.00 14.37 H new ATOM 0 HB2 ARG A 28 33.199 20.990 34.045 1.00 12.89 H new ATOM 0 HB3 ARG A 28 32.568 22.333 33.564 1.00 12.89 H new ATOM 0 HG2 ARG A 28 34.236 22.762 35.265 1.00 32.43 H new ATOM 0 HG3 ARG A 28 32.852 23.299 35.741 1.00 32.43 H new ATOM 0 HD2 ARG A 28 32.513 21.244 36.977 1.00 34.26 H new ATOM 0 HD3 ARG A 28 33.939 20.777 36.553 1.00 34.26 H new ATOM 0 HE ARG A 28 34.462 23.071 37.684 1.00 39.09 H new ATOM 0 HH11 ARG A 28 32.784 20.373 38.886 1.00 37.25 H new ATOM 0 HH12 ARG A 28 33.025 20.664 40.327 1.00 37.25 H new ATOM 0 HH21 ARG A 28 34.903 23.546 39.783 1.00 39.35 H new ATOM 0 HH22 ARG A 28 34.388 22.702 40.897 1.00 39.35 H new ATOM 221 N PHE A 29 29.894 22.894 33.925 1.00 11.35 N ATOM 222 CA PHE A 29 29.045 23.961 34.061 1.00 7.11 C ATOM 223 C PHE A 29 27.785 23.473 34.894 1.00 11.57 C ATOM 224 O PHE A 29 27.510 24.155 35.886 1.00 8.61 O ATOM 225 CB PHE A 29 28.637 24.421 32.661 1.00 6.64 C ATOM 226 CG PHE A 29 27.527 25.334 32.685 1.00 14.43 C ATOM 227 CD1 PHE A 29 27.785 26.621 33.218 1.00 8.31 C ATOM 228 CD2 PHE A 29 26.261 24.853 32.177 1.00 11.53 C ATOM 229 CE1 PHE A 29 26.777 27.431 33.251 1.00 9.62 C ATOM 230 CE2 PHE A 29 25.245 25.656 32.209 1.00 16.95 C ATOM 231 CZ PHE A 29 25.502 26.949 32.748 1.00 11.11 C ATOM 0 H PHE A 29 30.085 22.682 33.114 1.00 11.35 H new ATOM 0 HA PHE A 29 29.462 24.704 34.525 1.00 7.11 H new ATOM 0 HB2 PHE A 29 29.394 24.848 32.230 1.00 6.64 H new ATOM 0 HB3 PHE A 29 28.404 23.647 32.124 1.00 6.64 H new ATOM 0 HD1 PHE A 29 28.627 26.868 33.525 1.00 8.31 H new ATOM 0 HD2 PHE A 29 26.179 23.991 31.837 1.00 11.53 H new ATOM 0 HE1 PHE A 29 26.866 28.294 33.586 1.00 9.62 H new ATOM 0 HE2 PHE A 29 24.404 25.405 31.901 1.00 16.95 H new ATOM 0 HZ PHE A 29 24.786 27.541 32.781 1.00 11.11 H new ATOM 232 N PHE A 30 27.088 22.288 34.554 1.00 12.85 N ATOM 233 CA PHE A 30 25.846 21.738 35.286 1.00 8.19 C ATOM 234 C PHE A 30 26.075 21.280 36.709 1.00 12.13 C ATOM 235 O PHE A 30 25.251 21.490 37.603 1.00 11.68 O ATOM 236 CB PHE A 30 24.907 20.640 34.511 1.00 3.79 C ATOM 237 CG PHE A 30 24.016 21.296 33.532 1.00 12.56 C ATOM 238 CD1 PHE A 30 24.280 21.311 32.179 1.00 9.52 C ATOM 239 CD2 PHE A 30 22.961 21.889 34.019 1.00 12.24 C ATOM 240 CE1 PHE A 30 23.480 21.916 31.300 1.00 13.14 C ATOM 241 CE2 PHE A 30 22.156 22.498 33.151 1.00 15.83 C ATOM 242 CZ PHE A 30 22.417 22.514 31.789 1.00 15.13 C ATOM 0 H PHE A 30 27.329 21.791 33.895 1.00 12.85 H new ATOM 0 HA PHE A 30 25.333 22.561 35.294 1.00 8.19 H new ATOM 0 HB2 PHE A 30 25.469 19.993 34.058 1.00 3.79 H new ATOM 0 HB3 PHE A 30 24.376 20.150 35.158 1.00 3.79 H new ATOM 0 HD1 PHE A 30 25.045 20.883 31.867 1.00 9.52 H new ATOM 0 HD2 PHE A 30 22.779 21.886 34.931 1.00 12.24 H new ATOM 0 HE1 PHE A 30 23.665 21.915 30.389 1.00 13.14 H new ATOM 0 HE2 PHE A 30 21.394 22.927 33.468 1.00 15.83 H new ATOM 0 HZ PHE A 30 21.832 22.953 31.215 1.00 15.13 H new ATOM 243 N ILE A 31 27.231 20.847 36.943 1.00 6.94 N ATOM 244 CA ILE A 31 27.609 20.553 38.318 1.00 5.80 C ATOM 245 C ILE A 31 27.795 21.832 39.167 1.00 5.66 C ATOM 246 O ILE A 31 27.266 21.814 40.305 1.00 10.64 O ATOM 247 CB ILE A 31 28.935 19.947 38.345 1.00 8.06 C ATOM 248 CG1 ILE A 31 28.762 18.566 37.644 1.00 13.28 C ATOM 249 CG2 ILE A 31 29.469 19.828 39.779 1.00 10.88 C ATOM 250 CD1 ILE A 31 27.737 17.518 38.386 1.00 20.55 C ATOM 0 H ILE A 31 27.838 20.704 36.351 1.00 6.94 H new ATOM 0 HA ILE A 31 26.900 19.989 38.665 1.00 5.80 H new ATOM 0 HB ILE A 31 29.597 20.487 37.886 1.00 8.06 H new ATOM 0 HG12 ILE A 31 28.446 18.718 36.740 1.00 13.28 H new ATOM 0 HG13 ILE A 31 29.633 18.146 37.573 1.00 13.28 H new ATOM 0 HG21 ILE A 31 30.350 19.422 39.764 1.00 10.88 H new ATOM 0 HG22 ILE A 31 29.527 20.711 40.177 1.00 10.88 H new ATOM 0 HG23 ILE A 31 28.868 19.276 40.303 1.00 10.88 H new ATOM 0 HD11 ILE A 31 27.695 16.692 37.879 1.00 20.55 H new ATOM 0 HD12 ILE A 31 28.058 17.331 39.282 1.00 20.55 H new ATOM 0 HD13 ILE A 31 26.852 17.911 38.436 1.00 20.55 H new ATOM 251 N LEU A 32 28.432 22.924 38.582 1.00 6.16 N ATOM 252 CA LEU A 32 28.666 24.234 39.275 1.00 3.96 C ATOM 253 C LEU A 32 27.366 24.816 39.510 1.00 9.67 C ATOM 254 O LEU A 32 27.223 25.411 40.594 1.00 11.06 O ATOM 255 CB LEU A 32 29.655 25.264 38.473 1.00 13.32 C ATOM 256 CG LEU A 32 31.098 24.915 38.478 1.00 12.57 C ATOM 257 CD1 LEU A 32 32.001 25.776 37.452 1.00 15.27 C ATOM 258 CD2 LEU A 32 31.725 25.057 39.889 1.00 13.77 C ATOM 0 H LEU A 32 28.732 22.909 37.776 1.00 6.16 H new ATOM 0 HA LEU A 32 29.142 24.067 40.104 1.00 3.96 H new ATOM 0 HB2 LEU A 32 29.357 25.319 37.552 1.00 13.32 H new ATOM 0 HB3 LEU A 32 29.553 26.148 38.858 1.00 13.32 H new ATOM 0 HG LEU A 32 31.107 23.990 38.186 1.00 12.57 H new ATOM 0 HD11 LEU A 32 32.926 25.489 37.515 1.00 15.27 H new ATOM 0 HD12 LEU A 32 31.682 25.639 36.546 1.00 15.27 H new ATOM 0 HD13 LEU A 32 31.939 26.717 37.677 1.00 15.27 H new ATOM 0 HD21 LEU A 32 32.665 24.821 39.851 1.00 13.77 H new ATOM 0 HD22 LEU A 32 31.634 25.974 40.193 1.00 13.77 H new ATOM 0 HD23 LEU A 32 31.268 24.465 40.507 1.00 13.77 H new ATOM 259 N VAL A 33 26.434 24.614 38.564 1.00 10.58 N ATOM 260 CA VAL A 33 25.122 25.082 38.769 1.00 13.06 C ATOM 261 C VAL A 33 24.411 24.401 39.994 1.00 15.03 C ATOM 262 O VAL A 33 23.918 25.093 40.858 1.00 11.41 O ATOM 263 CB VAL A 33 24.164 24.797 37.548 1.00 12.45 C ATOM 264 CG1 VAL A 33 22.703 25.016 37.867 1.00 7.94 C ATOM 265 CG2 VAL A 33 24.703 25.618 36.305 1.00 8.06 C ATOM 0 H VAL A 33 26.569 24.210 37.817 1.00 10.58 H new ATOM 0 HA VAL A 33 25.250 26.033 38.910 1.00 13.06 H new ATOM 0 HB VAL A 33 24.186 23.853 37.324 1.00 12.45 H new ATOM 0 HG11 VAL A 33 22.168 24.826 37.081 1.00 7.94 H new ATOM 0 HG12 VAL A 33 22.437 24.426 38.589 1.00 7.94 H new ATOM 0 HG13 VAL A 33 22.565 25.938 38.136 1.00 7.94 H new ATOM 0 HG21 VAL A 33 24.130 25.459 35.539 1.00 8.06 H new ATOM 0 HG22 VAL A 33 24.703 26.564 36.518 1.00 8.06 H new ATOM 0 HG23 VAL A 33 25.607 25.334 36.096 1.00 8.06 H new ATOM 266 N LEU A 34 24.433 23.093 40.060 1.00 15.03 N ATOM 267 CA LEU A 34 23.734 22.215 41.098 1.00 11.88 C ATOM 268 C LEU A 34 24.449 22.421 42.442 1.00 9.83 C ATOM 269 O LEU A 34 23.771 22.229 43.497 1.00 12.17 O ATOM 270 CB LEU A 34 23.629 20.725 40.664 1.00 13.41 C ATOM 271 CG LEU A 34 22.249 20.141 40.042 1.00 12.47 C ATOM 272 CD1 LEU A 34 21.528 21.197 39.334 1.00 10.12 C ATOM 273 CD2 LEU A 34 22.349 18.904 39.151 1.00 10.04 C ATOM 0 H LEU A 34 24.870 22.625 39.486 1.00 15.03 H new ATOM 0 HA LEU A 34 22.807 22.485 41.188 1.00 11.88 H new ATOM 0 HB2 LEU A 34 24.327 20.568 40.009 1.00 13.41 H new ATOM 0 HB3 LEU A 34 23.843 20.185 41.441 1.00 13.41 H new ATOM 0 HG LEU A 34 21.766 19.829 40.823 1.00 12.47 H new ATOM 0 HD11 LEU A 34 20.706 20.837 38.967 1.00 10.12 H new ATOM 0 HD12 LEU A 34 21.319 21.916 39.951 1.00 10.12 H new ATOM 0 HD13 LEU A 34 22.080 21.540 38.614 1.00 10.12 H new ATOM 0 HD21 LEU A 34 21.464 18.654 38.843 1.00 10.04 H new ATOM 0 HD22 LEU A 34 22.913 19.100 38.387 1.00 10.04 H new ATOM 0 HD23 LEU A 34 22.734 18.171 39.657 1.00 10.04 H new ATOM 274 N GLU A 35 25.743 22.916 42.406 1.00 12.18 N ATOM 275 CA GLU A 35 26.480 23.272 43.653 1.00 13.67 C ATOM 276 C GLU A 35 26.100 24.542 44.288 1.00 13.17 C ATOM 277 O GLU A 35 26.053 24.640 45.540 1.00 16.33 O ATOM 278 CB GLU A 35 28.017 23.487 43.424 1.00 17.27 C ATOM 279 CG GLU A 35 28.524 22.143 43.118 1.00 41.13 C ATOM 280 CD GLU A 35 30.066 22.388 43.062 1.00 47.40 C ATOM 281 OE1 GLU A 35 30.674 21.381 43.003 1.00 41.20 O ATOM 282 OE2 GLU A 35 30.702 23.500 43.466 1.00 40.92 O ATOM 0 H GLU A 35 26.188 23.045 41.681 1.00 12.18 H new ATOM 0 HA GLU A 35 26.252 22.507 44.205 1.00 13.67 H new ATOM 0 HB2 GLU A 35 28.184 24.104 42.694 1.00 17.27 H new ATOM 0 HB3 GLU A 35 28.445 23.857 44.212 1.00 17.27 H new ATOM 0 HG2 GLU A 35 28.283 21.499 43.802 1.00 41.13 H new ATOM 0 HG3 GLU A 35 28.178 21.807 42.276 1.00 41.13 H new ATOM 283 N ILE A 36 25.817 25.465 43.444 1.00 11.55 N ATOM 284 CA ILE A 36 25.438 26.746 43.907 1.00 11.74 C ATOM 285 C ILE A 36 23.953 26.576 44.318 1.00 17.00 C ATOM 286 O ILE A 36 23.608 27.131 45.364 1.00 16.05 O ATOM 287 CB ILE A 36 25.746 27.840 42.811 1.00 14.65 C ATOM 288 CG1 ILE A 36 27.263 28.073 42.445 1.00 14.89 C ATOM 289 CG2 ILE A 36 25.267 29.188 43.184 1.00 10.50 C ATOM 290 CD1 ILE A 36 27.554 28.961 41.188 1.00 19.61 C ATOM 0 H ILE A 36 25.837 25.374 42.589 1.00 11.55 H new ATOM 0 HA ILE A 36 25.938 27.072 44.671 1.00 11.74 H new ATOM 0 HB ILE A 36 25.278 27.452 42.055 1.00 14.65 H new ATOM 0 HG12 ILE A 36 27.700 28.478 43.210 1.00 14.89 H new ATOM 0 HG13 ILE A 36 27.678 27.207 42.307 1.00 14.89 H new ATOM 0 HG21 ILE A 36 25.483 29.816 42.477 1.00 10.50 H new ATOM 0 HG22 ILE A 36 24.306 29.166 43.314 1.00 10.50 H new ATOM 0 HG23 ILE A 36 25.697 29.468 44.007 1.00 10.50 H new ATOM 0 HD11 ILE A 36 28.513 29.036 41.059 1.00 19.61 H new ATOM 0 HD12 ILE A 36 27.153 28.554 40.404 1.00 19.61 H new ATOM 0 HD13 ILE A 36 27.177 29.845 41.321 1.00 19.61 H new ATOM 291 N ALA A 37 23.103 25.818 43.517 1.00 10.10 N ATOM 292 CA ALA A 37 21.632 25.562 43.761 1.00 10.60 C ATOM 293 C ALA A 37 20.967 24.147 43.343 1.00 9.47 C ATOM 294 O ALA A 37 20.472 23.945 42.191 1.00 10.30 O ATOM 295 CB ALA A 37 20.913 26.630 43.053 1.00 6.04 C ATOM 0 H ALA A 37 23.385 25.434 42.801 1.00 10.10 H new ATOM 0 HA ALA A 37 21.555 25.539 44.728 1.00 10.60 H new ATOM 0 HB1 ALA A 37 19.958 26.514 43.176 1.00 6.04 H new ATOM 0 HB2 ALA A 37 21.182 27.492 43.408 1.00 6.04 H new ATOM 0 HB3 ALA A 37 21.123 26.590 42.107 1.00 6.04 H new ATOM 296 N PRO A 38 21.027 23.186 44.222 1.00 12.14 N ATOM 297 CA PRO A 38 20.478 21.754 43.976 1.00 11.35 C ATOM 298 C PRO A 38 19.020 21.509 43.478 1.00 12.36 C ATOM 299 O PRO A 38 18.665 20.592 42.638 1.00 16.57 O ATOM 300 CB PRO A 38 20.588 20.983 45.292 1.00 16.49 C ATOM 301 CG PRO A 38 21.306 22.004 46.301 1.00 11.08 C ATOM 302 CD PRO A 38 21.609 23.378 45.583 1.00 7.98 C ATOM 0 HA PRO A 38 21.024 21.474 43.225 1.00 11.35 H new ATOM 0 HB2 PRO A 38 19.714 20.719 45.620 1.00 16.49 H new ATOM 0 HB3 PRO A 38 21.107 20.171 45.183 1.00 16.49 H new ATOM 0 HG2 PRO A 38 20.739 22.155 47.073 1.00 11.08 H new ATOM 0 HG3 PRO A 38 22.132 21.615 46.628 1.00 11.08 H new ATOM 0 HD2 PRO A 38 21.197 24.124 46.047 1.00 7.98 H new ATOM 0 HD3 PRO A 38 22.561 23.560 45.543 1.00 7.98 H new ATOM 303 N ALA A 39 18.230 22.350 43.914 1.00 13.31 N ATOM 304 CA ALA A 39 16.806 22.254 43.510 1.00 16.05 C ATOM 305 C ALA A 39 16.621 22.460 42.014 1.00 20.19 C ATOM 306 O ALA A 39 15.493 22.073 41.469 1.00 17.70 O ATOM 307 CB ALA A 39 16.126 23.297 44.290 1.00 17.87 C ATOM 0 H ALA A 39 18.430 23.000 44.441 1.00 13.31 H new ATOM 0 HA ALA A 39 16.442 21.372 43.685 1.00 16.05 H new ATOM 0 HB1 ALA A 39 15.180 23.295 44.077 1.00 17.87 H new ATOM 0 HB2 ALA A 39 16.244 23.122 45.237 1.00 17.87 H new ATOM 0 HB3 ALA A 39 16.505 24.163 44.072 1.00 17.87 H new ATOM 308 N ALA A 40 17.675 23.128 41.387 1.00 15.24 N ATOM 309 CA ALA A 40 17.588 23.488 39.969 1.00 15.28 C ATOM 310 C ALA A 40 17.393 22.240 39.076 1.00 16.44 C ATOM 311 O ALA A 40 17.000 22.321 37.892 1.00 16.09 O ATOM 312 CB ALA A 40 18.864 24.456 39.518 1.00 17.24 C ATOM 0 H ALA A 40 18.406 23.359 41.776 1.00 15.24 H new ATOM 0 HA ALA A 40 16.791 24.024 39.833 1.00 15.28 H new ATOM 0 HB1 ALA A 40 18.784 24.680 38.578 1.00 17.24 H new ATOM 0 HB2 ALA A 40 18.855 25.270 40.046 1.00 17.24 H new ATOM 0 HB3 ALA A 40 19.698 23.983 39.667 1.00 17.24 H new ATOM 313 N LYS A 41 17.724 21.146 39.628 1.00 14.43 N ATOM 314 CA LYS A 41 17.692 19.882 38.880 1.00 18.90 C ATOM 315 C LYS A 41 16.333 19.436 38.197 1.00 24.14 C ATOM 316 O LYS A 41 16.280 18.999 37.015 1.00 24.17 O ATOM 317 CB LYS A 41 17.986 18.776 39.853 1.00 16.66 C ATOM 318 CG LYS A 41 17.933 17.386 39.189 1.00 29.63 C ATOM 319 CD LYS A 41 18.191 16.330 40.235 1.00 40.77 C ATOM 320 CE LYS A 41 18.107 14.909 39.627 1.00 38.24 C ATOM 321 NZ LYS A 41 16.732 14.428 39.132 0.00 0.00 N ATOM 0 H LYS A 41 17.980 21.074 40.446 1.00 14.43 H new ATOM 0 HA LYS A 41 18.325 20.038 38.162 1.00 18.90 H new ATOM 0 HB2 LYS A 41 18.864 18.914 40.241 1.00 16.66 H new ATOM 0 HB3 LYS A 41 17.346 18.809 40.581 1.00 16.66 H new ATOM 0 HG2 LYS A 41 17.066 17.245 38.777 1.00 29.63 H new ATOM 0 HG3 LYS A 41 18.596 17.327 38.483 1.00 29.63 H new ATOM 0 HD2 LYS A 41 19.068 16.466 40.626 1.00 40.77 H new ATOM 0 HD3 LYS A 41 17.544 16.417 40.952 1.00 40.77 H new ATOM 0 HE2 LYS A 41 18.726 14.866 38.881 1.00 38.24 H new ATOM 0 HE3 LYS A 41 18.422 14.279 40.294 1.00 38.24 H new ATOM 0 HZ1 LYS A 41 16.806 13.603 38.805 0.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.156 14.428 39.810 0.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.438 14.974 38.494 0.00 0.00 H new ATOM 322 N ASP A 42 15.275 19.620 38.917 1.00 21.33 N ATOM 323 CA ASP A 42 13.883 19.178 38.459 1.00 30.00 C ATOM 324 C ASP A 42 13.486 19.893 37.210 1.00 25.34 C ATOM 325 O ASP A 42 12.485 19.351 36.541 1.00 25.30 O ATOM 326 CB ASP A 42 12.865 19.317 39.585 1.00 34.61 C ATOM 327 CG ASP A 42 13.220 18.476 40.767 1.00 52.27 C ATOM 328 OD1 ASP A 42 13.985 19.064 41.655 1.00 47.30 O ATOM 329 OD2 ASP A 42 13.215 17.231 40.584 1.00 45.07 O ATOM 0 H ASP A 42 15.286 19.998 39.690 1.00 21.33 H new ATOM 0 HA ASP A 42 13.910 18.234 38.238 1.00 30.00 H new ATOM 0 HB2 ASP A 42 12.808 20.247 39.856 1.00 34.61 H new ATOM 0 HB3 ASP A 42 11.987 19.062 39.260 1.00 34.61 H new ATOM 330 N LEU A 43 14.219 21.067 36.917 1.00 12.91 N ATOM 331 CA LEU A 43 13.860 21.865 35.773 1.00 9.44 C ATOM 332 C LEU A 43 14.174 21.273 34.424 1.00 13.54 C ATOM 333 O LEU A 43 13.592 21.600 33.388 1.00 14.09 O ATOM 334 CB LEU A 43 14.598 23.335 35.848 1.00 14.99 C ATOM 335 CG LEU A 43 14.247 24.084 37.114 1.00 15.01 C ATOM 336 CD1 LEU A 43 15.128 25.486 37.220 1.00 15.51 C ATOM 337 CD2 LEU A 43 12.732 24.199 37.164 1.00 17.84 C ATOM 0 H LEU A 43 14.885 21.360 37.376 1.00 12.91 H new ATOM 0 HA LEU A 43 12.894 21.923 35.832 1.00 9.44 H new ATOM 0 HB2 LEU A 43 15.559 23.216 35.800 1.00 14.99 H new ATOM 0 HB3 LEU A 43 14.339 23.865 35.078 1.00 14.99 H new ATOM 0 HG LEU A 43 14.503 23.618 37.925 1.00 15.01 H new ATOM 0 HD11 LEU A 43 14.893 25.955 38.036 1.00 15.51 H new ATOM 0 HD12 LEU A 43 16.074 25.274 37.231 1.00 15.51 H new ATOM 0 HD13 LEU A 43 14.933 26.050 36.455 1.00 15.51 H new ATOM 0 HD21 LEU A 43 12.470 24.676 37.967 1.00 17.84 H new ATOM 0 HD22 LEU A 43 12.418 24.682 36.384 1.00 17.84 H new ATOM 0 HD23 LEU A 43 12.340 23.312 37.173 1.00 17.84 H new ATOM 338 N PHE A 44 15.169 20.551 34.421 1.00 14.99 N ATOM 339 CA PHE A 44 15.753 20.108 33.176 1.00 13.74 C ATOM 340 C PHE A 44 15.230 18.637 32.831 1.00 16.43 C ATOM 341 O PHE A 44 15.380 17.731 33.661 1.00 18.25 O ATOM 342 CB PHE A 44 17.309 20.290 33.270 1.00 14.38 C ATOM 343 CG PHE A 44 17.955 21.787 33.428 1.00 18.71 C ATOM 344 CD1 PHE A 44 18.224 22.333 34.683 1.00 12.62 C ATOM 345 CD2 PHE A 44 18.276 22.578 32.312 1.00 14.54 C ATOM 346 CE1 PHE A 44 18.810 23.679 34.829 1.00 15.88 C ATOM 347 CE2 PHE A 44 18.866 23.925 32.448 1.00 10.18 C ATOM 348 CZ PHE A 44 19.132 24.479 33.709 1.00 8.91 C ATOM 0 H PHE A 44 15.570 20.271 35.129 1.00 14.99 H new ATOM 0 HA PHE A 44 15.473 20.643 32.417 1.00 13.74 H new ATOM 0 HB2 PHE A 44 17.615 19.763 34.025 1.00 14.38 H new ATOM 0 HB3 PHE A 44 17.694 19.893 32.473 1.00 14.38 H new ATOM 0 HD1 PHE A 44 18.029 21.837 35.445 1.00 12.62 H new ATOM 0 HD2 PHE A 44 18.112 22.243 31.460 1.00 14.54 H new ATOM 0 HE1 PHE A 44 18.972 24.011 35.683 1.00 15.88 H new ATOM 0 HE2 PHE A 44 19.065 24.415 31.683 1.00 10.18 H new ATOM 0 HZ PHE A 44 19.501 25.328 33.803 1.00 8.91 H new ATOM 349 N SER A 45 14.551 18.450 31.698 1.00 22.78 N ATOM 350 CA SER A 45 13.870 17.129 31.209 1.00 18.44 C ATOM 351 C SER A 45 14.770 16.028 31.203 1.00 22.53 C ATOM 352 O SER A 45 14.317 14.862 31.621 1.00 25.24 O ATOM 353 CB SER A 45 13.280 17.277 29.799 1.00 31.48 C ATOM 354 OG SER A 45 14.325 17.765 28.852 1.00 35.13 O ATOM 0 H SER A 45 14.443 19.091 31.135 1.00 22.78 H new ATOM 0 HA SER A 45 13.158 16.956 31.844 1.00 18.44 H new ATOM 0 HB2 SER A 45 12.932 16.424 29.496 1.00 31.48 H new ATOM 0 HB3 SER A 45 12.535 17.897 29.816 1.00 31.48 H new ATOM 0 HG SER A 45 14.335 18.605 28.854 1.00 35.13 H new ATOM 355 N PHE A 46 16.026 16.408 30.819 1.00 15.97 N ATOM 356 CA PHE A 46 17.021 15.474 30.780 1.00 13.01 C ATOM 357 C PHE A 46 17.679 15.269 32.129 1.00 23.05 C ATOM 358 O PHE A 46 18.467 14.413 32.234 1.00 18.88 O ATOM 359 CB PHE A 46 18.107 15.877 29.688 1.00 9.95 C ATOM 360 CG PHE A 46 18.734 17.386 29.744 1.00 15.66 C ATOM 361 CD1 PHE A 46 18.282 18.293 28.882 1.00 18.83 C ATOM 362 CD2 PHE A 46 19.724 17.836 30.667 1.00 21.20 C ATOM 363 CE1 PHE A 46 18.817 19.657 28.942 1.00 18.88 C ATOM 364 CE2 PHE A 46 20.269 19.199 30.732 1.00 24.06 C ATOM 365 CZ PHE A 46 19.809 20.112 29.872 1.00 14.38 C ATOM 0 H PHE A 46 16.256 17.205 30.593 1.00 15.97 H new ATOM 0 HA PHE A 46 16.613 14.629 30.534 1.00 13.01 H new ATOM 0 HB2 PHE A 46 18.842 15.248 29.755 1.00 9.95 H new ATOM 0 HB3 PHE A 46 17.707 15.754 28.813 1.00 9.95 H new ATOM 0 HD1 PHE A 46 17.637 18.066 28.252 1.00 18.83 H new ATOM 0 HD2 PHE A 46 20.051 17.216 31.278 1.00 21.20 H new ATOM 0 HE1 PHE A 46 18.487 20.275 28.330 1.00 18.88 H new ATOM 0 HE2 PHE A 46 20.920 19.421 31.358 1.00 24.06 H new ATOM 0 HZ PHE A 46 20.114 20.991 29.876 1.00 14.38 H new ATOM 366 N LEU A 47 17.338 15.973 33.156 1.00 25.91 N ATOM 367 CA LEU A 47 17.871 15.752 34.503 1.00 20.64 C ATOM 368 C LEU A 47 16.779 15.018 35.415 1.00 26.77 C ATOM 369 O LEU A 47 17.103 14.342 36.390 1.00 23.80 O ATOM 370 CB LEU A 47 18.453 17.085 35.205 1.00 21.09 C ATOM 371 CG LEU A 47 19.707 17.867 34.509 1.00 24.99 C ATOM 372 CD1 LEU A 47 20.174 19.223 35.228 1.00 25.54 C ATOM 373 CD2 LEU A 47 20.861 17.015 34.402 1.00 21.35 C ATOM 0 H LEU A 47 16.773 16.620 33.113 1.00 25.91 H new ATOM 0 HA LEU A 47 18.641 15.170 34.407 1.00 20.64 H new ATOM 0 HB2 LEU A 47 17.722 17.717 35.283 1.00 21.09 H new ATOM 0 HB3 LEU A 47 18.721 16.848 36.107 1.00 21.09 H new ATOM 0 HG LEU A 47 19.353 18.112 33.640 1.00 24.99 H new ATOM 0 HD11 LEU A 47 20.919 19.608 34.741 1.00 25.54 H new ATOM 0 HD12 LEU A 47 19.437 19.853 35.241 1.00 25.54 H new ATOM 0 HD13 LEU A 47 20.449 19.029 36.138 1.00 25.54 H new ATOM 0 HD21 LEU A 47 21.588 17.505 33.986 1.00 21.35 H new ATOM 0 HD22 LEU A 47 21.132 16.724 35.287 1.00 21.35 H new ATOM 0 HD23 LEU A 47 20.642 16.240 33.861 1.00 21.35 H new ATOM 374 N LYS A 48 15.541 15.236 35.130 1.00 47.33 N ATOM 375 CA LYS A 48 14.360 14.601 35.894 1.00 52.51 C ATOM 376 C LYS A 48 14.273 13.069 35.881 1.00 50.30 C ATOM 377 O LYS A 48 14.153 12.441 34.789 1.00 47.99 O ATOM 378 CB LYS A 48 13.022 14.915 35.299 1.00 45.08 C ATOM 379 CG LYS A 48 12.869 16.417 35.353 0.00 0.00 C ATOM 380 CD LYS A 48 11.450 16.629 34.886 0.00 0.00 C ATOM 381 CE LYS A 48 11.106 16.042 33.483 0.00 0.00 C ATOM 382 NZ LYS A 48 9.732 16.243 33.107 0.00 0.00 N ATOM 0 H LYS A 48 15.294 15.754 34.490 1.00 47.33 H new ATOM 0 HA LYS A 48 14.540 14.969 36.773 1.00 52.51 H new ATOM 0 HB2 LYS A 48 12.967 14.595 34.385 1.00 45.08 H new ATOM 0 HB3 LYS A 48 12.312 14.478 35.795 1.00 45.08 H new ATOM 0 HG2 LYS A 48 13.007 16.760 36.250 0.00 0.00 H new ATOM 0 HG3 LYS A 48 13.508 16.864 34.776 0.00 0.00 H new ATOM 0 HD2 LYS A 48 10.850 16.236 35.539 0.00 0.00 H new ATOM 0 HD3 LYS A 48 11.270 17.582 34.873 0.00 0.00 H new ATOM 0 HE2 LYS A 48 11.681 16.452 32.818 0.00 0.00 H new ATOM 0 HE3 LYS A 48 11.301 15.092 33.480 0.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.590 15.891 32.302 0.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.200 15.848 33.701 0.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.555 17.115 33.084 0.00 0.00 H new ATOM 383 N GLY A 49 14.319 12.492 37.048 1.00 48.00 N ATOM 384 CA GLY A 49 14.113 11.018 37.160 1.00 49.68 C ATOM 385 C GLY A 49 15.422 10.435 37.285 1.00 50.71 C ATOM 386 O GLY A 49 15.405 9.320 37.868 1.00 50.59 O ATOM 0 H GLY A 49 14.463 12.899 37.792 1.00 48.00 H new ATOM 0 HA2 GLY A 49 13.564 10.803 37.930 1.00 49.68 H new ATOM 0 HA3 GLY A 49 13.654 10.673 36.379 1.00 49.68 H new ATOM 387 N THR A 50 16.529 11.205 36.849 1.00 41.59 N ATOM 388 CA THR A 50 17.857 10.784 37.063 1.00 43.70 C ATOM 389 C THR A 50 18.278 11.045 38.517 1.00 49.53 C ATOM 390 O THR A 50 17.752 11.900 39.167 1.00 47.97 O ATOM 391 CB THR A 50 18.943 11.597 36.157 1.00 44.35 C ATOM 392 OG1 THR A 50 19.346 12.922 36.699 1.00 35.00 O ATOM 393 CG2 THR A 50 18.470 11.724 34.705 1.00 30.69 C ATOM 0 H THR A 50 16.458 11.957 36.438 1.00 41.59 H new ATOM 0 HA THR A 50 17.859 9.842 36.830 1.00 43.70 H new ATOM 0 HB THR A 50 19.746 11.054 36.189 1.00 44.35 H new ATOM 0 HG1 THR A 50 18.699 13.455 36.647 1.00 35.00 H new ATOM 0 HG21 THR A 50 19.133 12.210 34.190 1.00 30.69 H new ATOM 0 HG22 THR A 50 18.351 10.840 34.325 1.00 30.69 H new ATOM 0 HG23 THR A 50 17.627 12.203 34.680 1.00 30.69 H new ATOM 394 N SER A 51 19.250 10.461 39.011 1.00 44.53 N ATOM 395 CA SER A 51 19.784 10.898 40.336 1.00 44.87 C ATOM 396 C SER A 51 21.131 11.830 40.215 1.00 47.58 C ATOM 397 O SER A 51 21.356 12.922 40.862 1.00 47.27 O ATOM 398 CB SER A 51 19.971 9.701 41.240 1.00 48.52 C ATOM 399 OG SER A 51 20.472 10.225 42.510 0.00 0.00 O ATOM 0 H SER A 51 19.664 9.800 38.648 1.00 44.53 H new ATOM 0 HA SER A 51 19.124 11.480 40.744 1.00 44.87 H new ATOM 0 HB2 SER A 51 19.134 9.228 41.366 1.00 48.52 H new ATOM 0 HB3 SER A 51 20.598 9.070 40.854 1.00 48.52 H new ATOM 0 HG SER A 51 20.590 9.591 43.048 0.00 0.00 H new ATOM 400 N GLU A 52 21.904 11.470 39.265 1.00 40.01 N ATOM 401 CA GLU A 52 23.166 12.296 38.840 1.00 43.95 C ATOM 402 C GLU A 52 23.022 12.899 37.460 1.00 38.88 C ATOM 403 O GLU A 52 22.281 12.236 36.597 1.00 37.70 O ATOM 404 CB GLU A 52 24.317 11.440 38.777 1.00 43.70 C ATOM 405 CG GLU A 52 24.641 10.851 40.138 0.00 0.00 C ATOM 406 CD GLU A 52 25.853 10.114 39.949 0.00 0.00 C ATOM 407 OE1 GLU A 52 26.666 10.459 39.007 0.00 0.00 O ATOM 408 OE2 GLU A 52 26.208 9.405 40.882 0.00 0.00 O ATOM 0 H GLU A 52 21.782 10.756 38.801 1.00 40.01 H new ATOM 0 HA GLU A 52 23.262 12.998 39.503 1.00 43.95 H new ATOM 0 HB2 GLU A 52 24.156 10.724 38.142 1.00 43.70 H new ATOM 0 HB3 GLU A 52 25.079 11.943 38.450 1.00 43.70 H new ATOM 0 HG2 GLU A 52 24.755 11.548 40.803 0.00 0.00 H new ATOM 0 HG3 GLU A 52 23.926 10.275 40.450 0.00 0.00 H new ATOM 409 N VAL A 53 23.834 14.037 37.233 1.00 19.52 N ATOM 410 CA VAL A 53 23.976 14.688 35.920 1.00 19.59 C ATOM 411 C VAL A 53 24.624 13.820 34.932 1.00 21.72 C ATOM 412 O VAL A 53 25.704 13.398 35.245 1.00 22.25 O ATOM 413 CB VAL A 53 24.850 16.095 36.069 1.00 23.43 C ATOM 414 CG1 VAL A 53 25.109 16.861 34.733 1.00 9.24 C ATOM 415 CG2 VAL A 53 24.236 16.954 37.113 1.00 16.92 C ATOM 0 H VAL A 53 24.293 14.415 37.854 1.00 19.52 H new ATOM 0 HA VAL A 53 23.080 14.882 35.604 1.00 19.59 H new ATOM 0 HB VAL A 53 25.743 15.838 36.348 1.00 23.43 H new ATOM 0 HG11 VAL A 53 25.622 17.664 34.914 1.00 9.24 H new ATOM 0 HG12 VAL A 53 25.605 16.291 34.124 1.00 9.24 H new ATOM 0 HG13 VAL A 53 24.261 17.104 34.330 1.00 9.24 H new ATOM 0 HG21 VAL A 53 24.747 17.774 37.199 1.00 16.92 H new ATOM 0 HG22 VAL A 53 23.323 17.167 36.862 1.00 16.92 H new ATOM 0 HG23 VAL A 53 24.236 16.483 37.961 1.00 16.92 H new ATOM 416 N PRO A 54 23.882 13.399 33.874 1.00 18.06 N ATOM 417 CA PRO A 54 24.339 12.563 32.807 1.00 11.99 C ATOM 418 C PRO A 54 25.638 13.261 32.147 1.00 20.33 C ATOM 419 O PRO A 54 25.887 14.532 32.063 1.00 18.82 O ATOM 420 CB PRO A 54 23.218 12.329 31.747 1.00 15.03 C ATOM 421 CG PRO A 54 22.148 13.193 32.153 1.00 17.73 C ATOM 422 CD PRO A 54 22.581 13.824 33.517 1.00 14.00 C ATOM 0 HA PRO A 54 24.575 11.688 33.152 1.00 11.99 H new ATOM 0 HB2 PRO A 54 23.527 12.546 30.854 1.00 15.03 H new ATOM 0 HB3 PRO A 54 22.935 11.401 31.732 1.00 15.03 H new ATOM 0 HG2 PRO A 54 21.989 13.882 31.489 1.00 17.73 H new ATOM 0 HG3 PRO A 54 21.321 12.696 32.250 1.00 17.73 H new ATOM 0 HD2 PRO A 54 22.558 14.792 33.453 1.00 14.00 H new ATOM 0 HD3 PRO A 54 21.951 13.571 34.210 1.00 14.00 H new ATOM 423 N GLN A 55 26.498 12.467 31.792 1.00 16.67 N ATOM 424 CA GLN A 55 27.815 13.032 31.238 1.00 15.61 C ATOM 425 C GLN A 55 27.859 13.030 29.715 1.00 17.85 C ATOM 426 O GLN A 55 28.651 13.911 29.088 1.00 21.35 O ATOM 427 CB GLN A 55 28.887 12.253 31.810 1.00 18.44 C ATOM 428 CG GLN A 55 28.718 12.132 33.335 1.00 33.03 C ATOM 429 CD GLN A 55 29.888 11.520 33.914 1.00 45.52 C ATOM 430 OE1 GLN A 55 31.050 11.843 33.415 1.00 47.80 O ATOM 431 NE2 GLN A 55 29.659 11.036 35.129 1.00 47.68 N ATOM 0 H GLN A 55 26.436 11.610 31.823 1.00 16.67 H new ATOM 0 HA GLN A 55 27.903 13.965 31.487 1.00 15.61 H new ATOM 0 HB2 GLN A 55 28.900 11.369 31.410 1.00 18.44 H new ATOM 0 HB3 GLN A 55 29.739 12.669 31.606 1.00 18.44 H new ATOM 0 HG2 GLN A 55 28.577 13.010 33.723 1.00 33.03 H new ATOM 0 HG3 GLN A 55 27.932 11.602 33.540 1.00 33.03 H new ATOM 0 HE21 GLN A 55 28.856 10.851 35.374 1.00 47.68 H new ATOM 0 HE22 GLN A 55 30.314 10.908 35.671 1.00 47.68 H new ATOM 432 N ASN A 56 27.064 12.045 29.127 1.00 13.71 N ATOM 433 CA ASN A 56 27.048 11.902 27.669 1.00 14.65 C ATOM 434 C ASN A 56 25.662 11.975 27.071 1.00 14.70 C ATOM 435 O ASN A 56 25.144 11.092 26.253 1.00 14.35 O ATOM 436 CB ASN A 56 27.506 10.557 27.253 1.00 8.71 C ATOM 437 CG ASN A 56 28.991 10.602 27.626 1.00 20.18 C ATOM 438 OD1 ASN A 56 29.273 10.109 28.729 1.00 21.28 O ATOM 439 ND2 ASN A 56 29.783 11.623 27.062 1.00 22.01 N ATOM 0 H ASN A 56 26.564 11.493 29.557 1.00 13.71 H new ATOM 0 HA ASN A 56 27.616 12.628 27.366 1.00 14.65 H new ATOM 0 HB2 ASN A 56 27.034 9.851 27.722 1.00 8.71 H new ATOM 0 HB3 ASN A 56 27.374 10.405 26.304 1.00 8.71 H new ATOM 0 HD21 ASN A 56 30.474 11.914 27.484 1.00 22.01 H new ATOM 0 HD22 ASN A 56 29.575 11.955 26.296 1.00 22.01 H new ATOM 440 N ASN A 57 25.059 12.971 27.496 1.00 7.52 N ATOM 441 CA ASN A 57 23.693 13.113 27.041 1.00 9.58 C ATOM 442 C ASN A 57 23.724 14.248 26.022 1.00 10.05 C ATOM 443 O ASN A 57 24.190 15.433 26.369 1.00 12.47 O ATOM 444 CB ASN A 57 22.808 13.389 28.247 1.00 8.99 C ATOM 445 CG ASN A 57 21.344 13.374 27.802 1.00 15.91 C ATOM 446 OD1 ASN A 57 21.012 14.402 27.251 1.00 17.30 O ATOM 447 ND2 ASN A 57 20.460 12.463 28.414 1.00 17.98 N ATOM 0 H ASN A 57 25.364 13.576 28.025 1.00 7.52 H new ATOM 0 HA ASN A 57 23.326 12.320 26.620 1.00 9.58 H new ATOM 0 HB2 ASN A 57 22.957 12.719 28.933 1.00 8.99 H new ATOM 0 HB3 ASN A 57 23.031 14.249 28.637 1.00 8.99 H new ATOM 0 HD21 ASN A 57 19.614 12.619 28.414 1.00 17.98 H new ATOM 0 HD22 ASN A 57 20.766 11.751 28.787 1.00 17.98 H new ATOM 448 N PRO A 58 23.321 13.901 24.800 1.00 14.76 N ATOM 449 CA PRO A 58 23.452 14.860 23.672 1.00 13.66 C ATOM 450 C PRO A 58 22.577 15.971 23.825 1.00 13.52 C ATOM 451 O PRO A 58 22.953 17.109 23.300 1.00 12.13 O ATOM 452 CB PRO A 58 23.047 14.047 22.390 1.00 14.40 C ATOM 453 CG PRO A 58 22.568 12.581 22.827 1.00 12.49 C ATOM 454 CD PRO A 58 22.775 12.519 24.347 1.00 17.21 C ATOM 0 HA PRO A 58 24.352 15.218 23.625 1.00 13.66 H new ATOM 0 HB2 PRO A 58 22.335 14.504 21.915 1.00 14.40 H new ATOM 0 HB3 PRO A 58 23.800 13.985 21.781 1.00 14.40 H new ATOM 0 HG2 PRO A 58 21.638 12.434 22.595 1.00 12.49 H new ATOM 0 HG3 PRO A 58 23.085 11.895 22.376 1.00 12.49 H new ATOM 0 HD2 PRO A 58 21.940 12.318 24.797 1.00 17.21 H new ATOM 0 HD3 PRO A 58 23.399 11.813 24.578 1.00 17.21 H new ATOM 455 N GLU A 59 21.459 15.665 24.543 1.00 14.12 N ATOM 456 CA GLU A 59 20.580 16.685 24.772 1.00 12.29 C ATOM 457 C GLU A 59 21.280 17.781 25.690 1.00 10.98 C ATOM 458 O GLU A 59 21.267 19.002 25.414 1.00 13.20 O ATOM 459 CB GLU A 59 19.238 16.100 25.452 1.00 11.50 C ATOM 460 CG GLU A 59 18.039 15.805 24.481 1.00 45.96 C ATOM 461 CD GLU A 59 16.750 15.794 25.302 1.00 56.17 C ATOM 462 OE1 GLU A 59 16.414 16.912 25.627 1.00 50.09 O ATOM 463 OE2 GLU A 59 16.330 14.777 26.011 1.00 49.67 O ATOM 0 H GLU A 59 21.252 14.895 24.866 1.00 14.12 H new ATOM 0 HA GLU A 59 20.327 17.108 23.937 1.00 12.29 H new ATOM 0 HB2 GLU A 59 19.464 15.278 25.915 1.00 11.50 H new ATOM 0 HB3 GLU A 59 18.937 16.731 26.125 1.00 11.50 H new ATOM 0 HG2 GLU A 59 17.992 16.481 23.787 1.00 45.96 H new ATOM 0 HG3 GLU A 59 18.165 14.951 24.038 1.00 45.96 H new ATOM 464 N LEU A 60 21.850 17.325 26.743 1.00 9.68 N ATOM 465 CA LEU A 60 22.594 18.248 27.710 1.00 7.41 C ATOM 466 C LEU A 60 23.783 19.122 27.026 1.00 12.91 C ATOM 467 O LEU A 60 23.987 20.381 27.211 1.00 11.38 O ATOM 468 CB LEU A 60 23.084 17.404 28.852 1.00 12.86 C ATOM 469 CG LEU A 60 23.828 18.224 30.021 1.00 12.29 C ATOM 470 CD1 LEU A 60 23.584 17.441 31.345 1.00 8.05 C ATOM 471 CD2 LEU A 60 25.363 18.629 29.778 1.00 9.24 C ATOM 0 H LEU A 60 21.852 16.495 26.969 1.00 9.68 H new ATOM 0 HA LEU A 60 21.977 18.926 28.026 1.00 7.41 H new ATOM 0 HB2 LEU A 60 22.329 16.930 29.235 1.00 12.86 H new ATOM 0 HB3 LEU A 60 23.693 16.734 28.505 1.00 12.86 H new ATOM 0 HG LEU A 60 23.435 19.110 30.053 1.00 12.29 H new ATOM 0 HD11 LEU A 60 24.018 17.903 32.079 1.00 8.05 H new ATOM 0 HD12 LEU A 60 22.631 17.385 31.517 1.00 8.05 H new ATOM 0 HD13 LEU A 60 23.951 16.547 31.265 1.00 8.05 H new ATOM 0 HD21 LEU A 60 25.695 19.116 30.548 1.00 9.24 H new ATOM 0 HD22 LEU A 60 25.893 17.827 29.649 1.00 9.24 H new ATOM 0 HD23 LEU A 60 25.429 19.189 28.989 1.00 9.24 H new ATOM 472 N GLN A 61 24.527 18.451 26.261 1.00 9.40 N ATOM 473 CA GLN A 61 25.744 19.124 25.579 1.00 5.29 C ATOM 474 C GLN A 61 25.430 20.181 24.582 1.00 9.85 C ATOM 475 O GLN A 61 26.142 21.333 24.571 1.00 8.65 O ATOM 476 CB GLN A 61 26.490 18.087 24.872 1.00 4.99 C ATOM 477 CG GLN A 61 27.167 17.258 25.902 1.00 3.00 C ATOM 478 CD GLN A 61 27.771 16.137 25.200 1.00 12.06 C ATOM 479 OE1 GLN A 61 27.555 16.047 23.908 1.00 15.50 O flip ATOM 480 NE2 GLN A 61 28.152 15.211 25.884 1.00 8.38 N flip ATOM 0 H GLN A 61 24.417 17.619 26.075 1.00 9.40 H new ATOM 0 HA GLN A 61 26.232 19.559 26.296 1.00 5.29 H new ATOM 0 HB2 GLN A 61 25.895 17.544 24.332 1.00 4.99 H new ATOM 0 HB3 GLN A 61 27.139 18.482 24.269 1.00 4.99 H new ATOM 0 HG2 GLN A 61 27.841 17.774 26.372 1.00 3.00 H new ATOM 0 HG3 GLN A 61 26.532 16.947 26.567 1.00 3.00 H new ATOM 0 HE21 GLN A 61 28.278 15.323 26.727 1.00 8.38 H new ATOM 0 HE22 GLN A 61 28.296 14.442 25.526 1.00 8.38 H new ATOM 481 N ALA A 62 24.358 19.815 23.829 1.00 10.83 N ATOM 482 CA ALA A 62 23.958 20.742 22.825 1.00 16.13 C ATOM 483 C ALA A 62 23.384 21.913 23.458 1.00 10.97 C ATOM 484 O ALA A 62 23.755 23.096 23.043 1.00 11.99 O ATOM 485 CB ALA A 62 22.917 20.001 21.845 1.00 16.00 C ATOM 0 H ALA A 62 23.902 19.089 23.897 1.00 10.83 H new ATOM 0 HA ALA A 62 24.713 21.043 22.296 1.00 16.13 H new ATOM 0 HB1 ALA A 62 22.631 20.616 21.152 1.00 16.00 H new ATOM 0 HB2 ALA A 62 23.347 19.233 21.438 1.00 16.00 H new ATOM 0 HB3 ALA A 62 22.146 19.707 22.354 1.00 16.00 H new ATOM 486 N HIS A 63 22.618 21.596 24.507 1.00 10.33 N ATOM 487 CA HIS A 63 22.068 22.630 25.274 1.00 10.08 C ATOM 488 C HIS A 63 23.179 23.695 25.856 1.00 18.38 C ATOM 489 O HIS A 63 23.227 24.924 25.555 1.00 16.90 O ATOM 490 CB HIS A 63 21.183 21.946 26.417 1.00 7.79 C ATOM 491 CG HIS A 63 20.706 23.002 27.342 1.00 16.52 C ATOM 492 ND1 HIS A 63 19.611 23.626 27.003 1.00 23.59 N ATOM 493 CD2 HIS A 63 21.214 23.501 28.512 1.00 21.80 C ATOM 494 CE1 HIS A 63 19.449 24.547 28.014 1.00 18.24 C ATOM 495 NE2 HIS A 63 20.457 24.471 28.957 1.00 16.18 N ATOM 0 H HIS A 63 22.426 20.797 24.762 1.00 10.33 H new ATOM 0 HA HIS A 63 21.512 23.191 24.711 1.00 10.08 H new ATOM 0 HB2 HIS A 63 20.430 21.477 26.024 1.00 7.79 H new ATOM 0 HB3 HIS A 63 21.707 21.287 26.899 1.00 7.79 H new ATOM 0 HD2 HIS A 63 21.986 23.194 28.930 1.00 21.80 H new ATOM 0 HE1 HIS A 63 18.743 25.151 28.057 1.00 18.24 H new ATOM 0 HE2 HIS A 63 20.561 24.947 29.666 1.00 16.18 H new ATOM 496 N ALA A 64 24.047 23.221 26.657 1.00 13.44 N ATOM 497 CA ALA A 64 25.138 24.109 27.349 1.00 9.87 C ATOM 498 C ALA A 64 26.158 24.879 26.382 1.00 13.64 C ATOM 499 O ALA A 64 26.606 26.103 26.597 1.00 14.77 O ATOM 500 CB ALA A 64 25.866 23.300 28.349 1.00 3.85 C ATOM 0 H ALA A 64 24.090 22.389 26.869 1.00 13.44 H new ATOM 0 HA ALA A 64 24.644 24.831 27.769 1.00 9.87 H new ATOM 0 HB1 ALA A 64 26.542 23.848 28.779 1.00 3.85 H new ATOM 0 HB2 ALA A 64 25.243 22.973 29.017 1.00 3.85 H new ATOM 0 HB3 ALA A 64 26.292 22.548 27.909 1.00 3.85 H new ATOM 501 N GLY A 65 26.353 24.234 25.265 1.00 16.74 N ATOM 502 CA GLY A 65 27.177 24.876 24.156 1.00 15.81 C ATOM 503 C GLY A 65 26.670 26.140 23.624 1.00 27.17 C ATOM 504 O GLY A 65 27.501 27.210 23.457 1.00 18.92 O ATOM 0 H GLY A 65 26.048 23.449 25.089 1.00 16.74 H new ATOM 0 HA2 GLY A 65 28.075 25.025 24.491 1.00 15.81 H new ATOM 0 HA3 GLY A 65 27.248 24.244 23.424 1.00 15.81 H new ATOM 505 N LYS A 66 25.343 26.016 23.422 1.00 16.76 N ATOM 506 CA LYS A 66 24.665 27.118 22.904 1.00 13.47 C ATOM 507 C LYS A 66 24.751 28.299 23.877 1.00 17.11 C ATOM 508 O LYS A 66 24.841 29.485 23.431 1.00 17.19 O ATOM 509 CB LYS A 66 23.152 26.623 22.630 1.00 14.33 C ATOM 510 CG LYS A 66 22.925 25.539 21.529 1.00 49.39 C ATOM 511 CD LYS A 66 21.437 24.841 21.445 1.00 52.13 C ATOM 512 CE LYS A 66 20.469 25.817 21.018 1.00 48.88 C ATOM 513 NZ LYS A 66 19.107 25.057 20.793 0.00 0.00 N ATOM 0 H LYS A 66 24.869 25.317 23.583 1.00 16.76 H new ATOM 0 HA LYS A 66 25.055 27.441 22.076 1.00 13.47 H new ATOM 0 HB2 LYS A 66 22.796 26.279 23.464 1.00 14.33 H new ATOM 0 HB3 LYS A 66 22.622 27.401 22.395 1.00 14.33 H new ATOM 0 HG2 LYS A 66 23.115 25.943 20.668 1.00 49.39 H new ATOM 0 HG3 LYS A 66 23.579 24.835 21.663 1.00 49.39 H new ATOM 0 HD2 LYS A 66 21.454 24.096 20.824 1.00 52.13 H new ATOM 0 HD3 LYS A 66 21.188 24.483 22.311 1.00 52.13 H new ATOM 0 HE2 LYS A 66 20.366 26.512 21.686 1.00 48.88 H new ATOM 0 HE3 LYS A 66 20.758 26.250 20.200 1.00 48.88 H new ATOM 0 HZ1 LYS A 66 18.485 25.635 20.527 0.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.216 24.431 20.170 0.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.851 24.675 21.555 0.00 0.00 H new ATOM 514 N VAL A 67 24.676 27.962 25.155 1.00 9.15 N ATOM 515 CA VAL A 67 24.740 28.996 26.210 1.00 15.15 C ATOM 516 C VAL A 67 26.102 29.924 26.224 1.00 13.14 C ATOM 517 O VAL A 67 26.161 31.189 26.166 1.00 10.29 O ATOM 518 CB VAL A 67 24.466 28.332 27.596 1.00 14.87 C ATOM 519 CG1 VAL A 67 24.682 29.382 28.739 1.00 13.57 C ATOM 520 CG2 VAL A 67 23.043 27.479 27.661 1.00 12.05 C ATOM 0 H VAL A 67 24.589 27.156 25.442 1.00 9.15 H new ATOM 0 HA VAL A 67 24.044 29.639 26.001 1.00 15.15 H new ATOM 0 HB VAL A 67 25.121 27.631 27.740 1.00 14.87 H new ATOM 0 HG11 VAL A 67 24.511 28.965 29.598 1.00 13.57 H new ATOM 0 HG12 VAL A 67 25.596 29.705 28.713 1.00 13.57 H new ATOM 0 HG13 VAL A 67 24.073 30.126 28.614 1.00 13.57 H new ATOM 0 HG21 VAL A 67 22.936 27.095 28.545 1.00 12.05 H new ATOM 0 HG22 VAL A 67 22.300 28.074 27.475 1.00 12.05 H new ATOM 0 HG23 VAL A 67 23.061 26.769 27.000 1.00 12.05 H new ATOM 521 N PHE A 68 27.162 29.302 26.196 1.00 11.71 N ATOM 522 CA PHE A 68 28.539 30.065 26.177 1.00 10.80 C ATOM 523 C PHE A 68 28.832 30.849 24.876 1.00 13.34 C ATOM 524 O PHE A 68 29.444 32.047 24.908 1.00 14.80 O ATOM 525 CB PHE A 68 29.592 29.116 26.378 1.00 7.99 C ATOM 526 CG PHE A 68 29.778 28.793 27.868 1.00 13.76 C ATOM 527 CD1 PHE A 68 30.859 29.485 28.562 1.00 9.33 C ATOM 528 CD2 PHE A 68 28.878 27.810 28.505 1.00 9.67 C ATOM 529 CE1 PHE A 68 31.050 29.195 29.901 1.00 13.07 C ATOM 530 CE2 PHE A 68 29.061 27.513 29.841 1.00 10.98 C ATOM 531 CZ PHE A 68 30.150 28.205 30.541 1.00 12.66 C ATOM 0 H PHE A 68 27.223 28.444 26.185 1.00 11.71 H new ATOM 0 HA PHE A 68 28.487 30.725 26.886 1.00 10.80 H new ATOM 0 HB2 PHE A 68 29.393 28.301 25.891 1.00 7.99 H new ATOM 0 HB3 PHE A 68 30.420 29.468 26.016 1.00 7.99 H new ATOM 0 HD1 PHE A 68 31.400 30.099 28.120 1.00 9.33 H new ATOM 0 HD2 PHE A 68 28.202 27.399 28.016 1.00 9.67 H new ATOM 0 HE1 PHE A 68 31.725 29.610 30.387 1.00 13.07 H new ATOM 0 HE2 PHE A 68 28.517 26.900 30.279 1.00 10.98 H new ATOM 0 HZ PHE A 68 30.284 28.011 31.441 1.00 12.66 H new ATOM 532 N LYS A 69 28.291 30.230 23.799 1.00 13.02 N ATOM 533 CA LYS A 69 28.455 30.900 22.496 1.00 5.94 C ATOM 534 C LYS A 69 27.834 32.195 22.459 1.00 6.11 C ATOM 535 O LYS A 69 28.451 33.216 21.873 1.00 12.13 O ATOM 536 CB LYS A 69 27.839 29.978 21.350 1.00 12.96 C ATOM 537 CG LYS A 69 28.388 30.556 19.995 1.00 21.00 C ATOM 538 CD LYS A 69 27.557 29.895 18.811 1.00 35.35 C ATOM 539 CE LYS A 69 26.097 30.208 18.854 1.00 47.52 C ATOM 540 NZ LYS A 69 25.380 29.745 17.618 0.00 0.00 N ATOM 0 H LYS A 69 27.861 29.485 23.800 1.00 13.02 H new ATOM 0 HA LYS A 69 29.405 31.034 22.354 1.00 5.94 H new ATOM 0 HB2 LYS A 69 28.105 29.053 21.467 1.00 12.96 H new ATOM 0 HB3 LYS A 69 26.869 29.999 21.370 1.00 12.96 H new ATOM 0 HG2 LYS A 69 28.297 31.522 19.976 1.00 21.00 H new ATOM 0 HG3 LYS A 69 29.333 30.358 19.899 1.00 21.00 H new ATOM 0 HD2 LYS A 69 27.920 30.198 17.964 1.00 35.35 H new ATOM 0 HD3 LYS A 69 27.674 28.933 18.842 1.00 35.35 H new ATOM 0 HE2 LYS A 69 25.701 29.787 19.633 1.00 47.52 H new ATOM 0 HE3 LYS A 69 25.976 31.165 18.957 1.00 47.52 H new ATOM 0 HZ1 LYS A 69 24.516 29.949 17.682 0.00 0.00 H new ATOM 0 HZ2 LYS A 69 25.728 30.148 16.904 0.00 0.00 H new ATOM 0 HZ3 LYS A 69 25.471 28.864 17.534 0.00 0.00 H new ATOM 541 N LEU A 70 26.670 32.154 23.086 1.00 10.54 N ATOM 542 CA LEU A 70 25.962 33.337 23.109 1.00 10.76 C ATOM 543 C LEU A 70 26.691 34.490 23.955 1.00 11.96 C ATOM 544 O LEU A 70 26.719 35.689 23.566 1.00 9.69 O ATOM 545 CB LEU A 70 24.498 32.987 23.623 1.00 11.08 C ATOM 546 CG LEU A 70 23.543 32.164 22.612 1.00 18.56 C ATOM 547 CD1 LEU A 70 22.141 31.693 23.237 1.00 27.46 C ATOM 548 CD2 LEU A 70 23.417 32.968 21.318 1.00 21.23 C ATOM 0 H LEU A 70 26.315 31.474 23.475 1.00 10.54 H new ATOM 0 HA LEU A 70 25.912 33.721 22.220 1.00 10.76 H new ATOM 0 HB2 LEU A 70 24.581 32.476 24.443 1.00 11.08 H new ATOM 0 HB3 LEU A 70 24.052 33.818 23.850 1.00 11.08 H new ATOM 0 HG LEU A 70 23.962 31.311 22.418 1.00 18.56 H new ATOM 0 HD11 LEU A 70 21.634 31.209 22.566 1.00 27.46 H new ATOM 0 HD12 LEU A 70 22.304 31.114 23.998 1.00 27.46 H new ATOM 0 HD13 LEU A 70 21.637 32.470 23.524 1.00 27.46 H new ATOM 0 HD21 LEU A 70 22.847 32.491 20.695 1.00 21.23 H new ATOM 0 HD22 LEU A 70 23.029 33.836 21.512 1.00 21.23 H new ATOM 0 HD23 LEU A 70 24.295 33.088 20.925 1.00 21.23 H new ATOM 549 N VAL A 71 27.299 34.139 25.039 1.00 6.98 N ATOM 550 CA VAL A 71 28.080 35.202 25.866 1.00 13.78 C ATOM 551 C VAL A 71 29.385 35.841 25.174 1.00 17.89 C ATOM 552 O VAL A 71 29.708 37.109 25.143 1.00 12.57 O ATOM 553 CB VAL A 71 28.348 34.704 27.292 1.00 11.76 C ATOM 554 CG1 VAL A 71 29.210 35.813 28.137 1.00 5.61 C ATOM 555 CG2 VAL A 71 27.010 34.183 28.022 1.00 4.01 C ATOM 0 H VAL A 71 27.313 33.341 25.359 1.00 6.98 H new ATOM 0 HA VAL A 71 27.478 35.961 25.905 1.00 13.78 H new ATOM 0 HB VAL A 71 28.908 33.913 27.246 1.00 11.76 H new ATOM 0 HG11 VAL A 71 29.370 35.483 29.035 1.00 5.61 H new ATOM 0 HG12 VAL A 71 30.059 35.969 27.694 1.00 5.61 H new ATOM 0 HG13 VAL A 71 28.712 36.644 28.183 1.00 5.61 H new ATOM 0 HG21 VAL A 71 27.227 33.879 28.917 1.00 4.01 H new ATOM 0 HG22 VAL A 71 26.367 34.907 28.074 1.00 4.01 H new ATOM 0 HG23 VAL A 71 26.630 33.449 27.515 1.00 4.01 H new ATOM 556 N TYR A 72 29.999 34.990 24.487 1.00 11.93 N ATOM 557 CA TYR A 72 31.191 35.440 23.648 1.00 8.70 C ATOM 558 C TYR A 72 30.859 36.366 22.522 1.00 11.27 C ATOM 559 O TYR A 72 31.600 37.486 22.329 1.00 16.46 O ATOM 560 CB TYR A 72 31.757 34.182 23.118 1.00 9.41 C ATOM 561 CG TYR A 72 32.557 34.417 21.799 1.00 11.69 C ATOM 562 CD1 TYR A 72 31.979 33.839 20.645 1.00 18.68 C ATOM 563 CD2 TYR A 72 33.819 35.207 21.756 1.00 15.46 C ATOM 564 CE1 TYR A 72 32.647 34.057 19.434 1.00 22.39 C ATOM 565 CE2 TYR A 72 34.498 35.435 20.545 1.00 11.66 C ATOM 566 CZ TYR A 72 33.904 34.857 19.386 1.00 20.34 C ATOM 567 OH TYR A 72 34.589 35.078 18.130 1.00 28.49 O ATOM 0 H TYR A 72 29.806 34.153 24.443 1.00 11.93 H new ATOM 0 HA TYR A 72 31.799 35.957 24.199 1.00 8.70 H new ATOM 0 HB2 TYR A 72 32.340 33.784 23.783 1.00 9.41 H new ATOM 0 HB3 TYR A 72 31.041 33.549 22.953 1.00 9.41 H new ATOM 0 HD1 TYR A 72 31.196 33.340 20.688 1.00 18.68 H new ATOM 0 HD2 TYR A 72 34.165 35.556 22.545 1.00 15.46 H new ATOM 0 HE1 TYR A 72 32.302 33.698 18.649 1.00 22.39 H new ATOM 0 HE2 TYR A 72 35.284 35.931 20.504 1.00 11.66 H new ATOM 0 HH TYR A 72 35.275 35.544 18.263 1.00 28.49 H new ATOM 568 N GLU A 73 29.738 35.952 21.847 1.00 13.42 N ATOM 569 CA GLU A 73 29.338 36.768 20.743 1.00 10.37 C ATOM 570 C GLU A 73 28.939 38.098 21.212 1.00 10.59 C ATOM 571 O GLU A 73 29.251 39.144 20.513 1.00 14.20 O ATOM 572 CB GLU A 73 28.192 35.972 19.911 1.00 4.40 C ATOM 573 CG GLU A 73 28.695 34.823 19.131 1.00 32.87 C ATOM 574 CD GLU A 73 27.531 34.074 18.304 1.00 42.29 C ATOM 575 OE1 GLU A 73 27.767 33.183 17.489 1.00 39.25 O ATOM 576 OE2 GLU A 73 26.330 34.101 18.661 1.00 37.89 O ATOM 0 H GLU A 73 29.257 35.260 22.019 1.00 13.42 H new ATOM 0 HA GLU A 73 30.074 36.929 20.132 1.00 10.37 H new ATOM 0 HB2 GLU A 73 27.516 35.657 20.532 1.00 4.40 H new ATOM 0 HB3 GLU A 73 27.755 36.593 19.307 1.00 4.40 H new ATOM 0 HG2 GLU A 73 29.378 35.130 18.515 1.00 32.87 H new ATOM 0 HG3 GLU A 73 29.118 34.190 19.732 1.00 32.87 H new ATOM 577 N ALA A 74 28.437 38.089 22.428 1.00 9.88 N ATOM 578 CA ALA A 74 28.120 39.333 23.042 1.00 10.87 C ATOM 579 C ALA A 74 29.391 40.350 23.308 1.00 12.00 C ATOM 580 O ALA A 74 29.390 41.587 23.094 1.00 9.32 O ATOM 581 CB ALA A 74 27.339 39.027 24.362 1.00 13.51 C ATOM 0 H ALA A 74 28.278 37.387 22.898 1.00 9.88 H new ATOM 0 HA ALA A 74 27.577 39.831 22.411 1.00 10.87 H new ATOM 0 HB1 ALA A 74 27.109 39.860 24.803 1.00 13.51 H new ATOM 0 HB2 ALA A 74 26.528 38.538 24.152 1.00 13.51 H new ATOM 0 HB3 ALA A 74 27.895 38.493 24.951 1.00 13.51 H new ATOM 582 N ALA A 75 30.436 39.821 23.736 1.00 12.55 N ATOM 583 CA ALA A 75 31.738 40.652 24.040 1.00 9.67 C ATOM 584 C ALA A 75 32.366 41.367 22.798 1.00 9.80 C ATOM 585 O ALA A 75 32.946 42.574 22.862 1.00 13.28 O ATOM 586 CB ALA A 75 32.735 39.773 24.612 1.00 6.33 C ATOM 0 H ALA A 75 30.513 38.979 23.891 1.00 12.55 H new ATOM 0 HA ALA A 75 31.466 41.354 24.652 1.00 9.67 H new ATOM 0 HB1 ALA A 75 33.541 40.278 24.802 1.00 6.33 H new ATOM 0 HB2 ALA A 75 32.394 39.388 25.434 1.00 6.33 H new ATOM 0 HB3 ALA A 75 32.940 39.063 23.983 1.00 6.33 H new ATOM 587 N ILE A 76 32.269 40.620 21.716 1.00 10.85 N ATOM 588 CA ILE A 76 32.851 41.176 20.450 1.00 13.02 C ATOM 589 C ILE A 76 32.033 42.220 19.908 1.00 18.38 C ATOM 590 O ILE A 76 32.617 43.357 19.513 1.00 13.97 O ATOM 591 CB ILE A 76 32.889 40.044 19.403 1.00 13.88 C ATOM 592 CG1 ILE A 76 33.672 38.932 19.913 1.00 14.18 C ATOM 593 CG2 ILE A 76 33.447 40.618 18.050 1.00 14.12 C ATOM 594 CD1 ILE A 76 35.135 39.501 20.324 1.00 14.05 C ATOM 0 H ILE A 76 31.904 39.843 21.664 1.00 10.85 H new ATOM 0 HA ILE A 76 33.731 41.530 20.651 1.00 13.02 H new ATOM 0 HB ILE A 76 31.998 39.702 19.229 1.00 13.88 H new ATOM 0 HG12 ILE A 76 33.235 38.533 20.681 1.00 14.18 H new ATOM 0 HG13 ILE A 76 33.754 38.238 19.241 1.00 14.18 H new ATOM 0 HG21 ILE A 76 33.474 39.912 17.385 1.00 14.12 H new ATOM 0 HG22 ILE A 76 32.869 41.332 17.739 1.00 14.12 H new ATOM 0 HG23 ILE A 76 34.342 40.964 18.190 1.00 14.12 H new ATOM 0 HD11 ILE A 76 35.679 38.776 20.669 1.00 14.05 H new ATOM 0 HD12 ILE A 76 35.564 39.884 19.543 1.00 14.05 H new ATOM 0 HD13 ILE A 76 35.037 40.184 21.006 1.00 14.05 H new ATOM 595 N GLN A 77 30.713 41.894 20.031 1.00 8.50 N ATOM 596 CA GLN A 77 29.840 42.851 19.584 1.00 7.38 C ATOM 597 C GLN A 77 30.009 44.142 20.422 1.00 7.82 C ATOM 598 O GLN A 77 30.089 45.269 19.855 1.00 14.12 O ATOM 599 CB GLN A 77 28.349 42.162 19.504 1.00 14.51 C ATOM 600 CG GLN A 77 27.454 43.027 18.743 1.00 17.87 C ATOM 601 CD GLN A 77 26.088 42.161 18.462 1.00 22.66 C ATOM 602 OE1 GLN A 77 25.408 41.707 19.533 1.00 25.09 O flip ATOM 603 NE2 GLN A 77 25.859 41.653 17.320 1.00 12.21 N flip ATOM 0 H GLN A 77 30.381 41.169 20.352 1.00 8.50 H new ATOM 0 HA GLN A 77 30.017 43.163 18.683 1.00 7.38 H new ATOM 0 HB2 GLN A 77 28.407 41.290 19.083 1.00 14.51 H new ATOM 0 HB3 GLN A 77 27.998 42.023 20.397 1.00 14.51 H new ATOM 0 HG2 GLN A 77 27.253 43.836 19.239 1.00 17.87 H new ATOM 0 HG3 GLN A 77 27.866 43.301 17.909 1.00 17.87 H new ATOM 0 HE21 GLN A 77 26.287 41.936 16.630 1.00 12.21 H new ATOM 0 HE22 GLN A 77 25.275 41.027 17.237 1.00 12.21 H new ATOM 604 N LEU A 78 30.258 44.016 21.705 1.00 12.18 N ATOM 605 CA LEU A 78 30.559 45.225 22.563 1.00 10.99 C ATOM 606 C LEU A 78 31.883 46.093 22.166 1.00 9.10 C ATOM 607 O LEU A 78 31.986 47.360 22.173 1.00 14.18 O ATOM 608 CB LEU A 78 30.701 44.829 24.036 1.00 9.19 C ATOM 609 CG LEU A 78 29.339 44.545 24.766 1.00 12.89 C ATOM 610 CD1 LEU A 78 29.468 43.735 26.052 1.00 17.63 C ATOM 611 CD2 LEU A 78 28.800 45.873 25.068 1.00 5.71 C ATOM 0 H LEU A 78 30.266 43.266 22.125 1.00 12.18 H new ATOM 0 HA LEU A 78 29.793 45.797 22.399 1.00 10.99 H new ATOM 0 HB2 LEU A 78 31.258 44.037 24.094 1.00 9.19 H new ATOM 0 HB3 LEU A 78 31.166 45.538 24.507 1.00 9.19 H new ATOM 0 HG LEU A 78 28.771 44.003 24.197 1.00 12.89 H new ATOM 0 HD11 LEU A 78 28.589 43.603 26.441 1.00 17.63 H new ATOM 0 HD12 LEU A 78 29.866 42.873 25.853 1.00 17.63 H new ATOM 0 HD13 LEU A 78 30.031 44.213 26.681 1.00 17.63 H new ATOM 0 HD21 LEU A 78 27.949 45.781 25.525 1.00 5.71 H new ATOM 0 HD22 LEU A 78 29.422 46.353 25.637 1.00 5.71 H new ATOM 0 HD23 LEU A 78 28.672 46.366 24.242 1.00 5.71 H new ATOM 612 N GLU A 79 32.848 45.414 21.830 1.00 9.81 N ATOM 613 CA GLU A 79 34.186 46.119 21.460 1.00 7.55 C ATOM 614 C GLU A 79 34.138 46.861 20.135 1.00 12.06 C ATOM 615 O GLU A 79 34.720 48.062 20.029 1.00 14.00 O ATOM 616 CB GLU A 79 35.195 45.101 21.392 1.00 13.51 C ATOM 617 CG GLU A 79 36.682 45.771 21.217 1.00 18.53 C ATOM 618 CD GLU A 79 37.149 45.614 19.781 1.00 32.61 C ATOM 619 OE1 GLU A 79 36.955 44.470 19.226 1.00 31.23 O ATOM 620 OE2 GLU A 79 37.529 46.653 19.087 1.00 31.41 O ATOM 0 H GLU A 79 32.855 44.556 21.778 1.00 9.81 H new ATOM 0 HA GLU A 79 34.372 46.788 22.137 1.00 7.55 H new ATOM 0 HB2 GLU A 79 35.171 44.561 22.197 1.00 13.51 H new ATOM 0 HB3 GLU A 79 35.013 44.507 20.647 1.00 13.51 H new ATOM 0 HG2 GLU A 79 36.653 46.711 21.456 1.00 18.53 H new ATOM 0 HG3 GLU A 79 37.311 45.344 21.819 1.00 18.53 H new ATOM 621 N VAL A 80 33.471 46.156 19.166 1.00 10.15 N ATOM 622 CA VAL A 80 33.357 46.713 17.815 1.00 16.15 C ATOM 623 C VAL A 80 32.408 47.767 17.735 1.00 21.63 C ATOM 624 O VAL A 80 32.760 48.855 17.111 1.00 19.25 O ATOM 625 CB VAL A 80 32.917 45.559 16.808 1.00 7.89 C ATOM 626 CG1 VAL A 80 32.643 46.084 15.400 1.00 9.29 C ATOM 627 CG2 VAL A 80 33.990 44.614 16.746 1.00 14.30 C ATOM 0 H VAL A 80 33.100 45.389 19.281 1.00 10.15 H new ATOM 0 HA VAL A 80 34.226 47.076 17.581 1.00 16.15 H new ATOM 0 HB VAL A 80 32.093 45.162 17.132 1.00 7.89 H new ATOM 0 HG11 VAL A 80 32.380 45.348 14.826 1.00 9.29 H new ATOM 0 HG12 VAL A 80 31.929 46.740 15.432 1.00 9.29 H new ATOM 0 HG13 VAL A 80 33.446 46.498 15.047 1.00 9.29 H new ATOM 0 HG21 VAL A 80 33.754 43.895 16.139 1.00 14.30 H new ATOM 0 HG22 VAL A 80 34.792 45.056 16.427 1.00 14.30 H new ATOM 0 HG23 VAL A 80 34.152 44.250 17.630 1.00 14.30 H new ATOM 628 N THR A 81 31.193 47.400 18.229 1.00 13.52 N ATOM 629 CA THR A 81 30.112 48.202 18.009 1.00 11.66 C ATOM 630 C THR A 81 29.853 49.075 19.199 1.00 14.49 C ATOM 631 O THR A 81 29.193 50.028 19.022 1.00 13.38 O ATOM 632 CB THR A 81 28.773 47.291 17.626 1.00 13.00 C ATOM 633 OG1 THR A 81 28.126 46.654 18.796 1.00 17.63 O ATOM 634 CG2 THR A 81 28.978 46.200 16.589 1.00 14.83 C ATOM 0 H THR A 81 31.038 46.686 18.682 1.00 13.52 H new ATOM 0 HA THR A 81 30.305 48.778 17.253 1.00 11.66 H new ATOM 0 HB THR A 81 28.201 47.974 17.242 1.00 13.00 H new ATOM 0 HG1 THR A 81 28.716 46.354 19.314 1.00 17.63 H new ATOM 0 HG21 THR A 81 28.141 45.733 16.441 1.00 14.83 H new ATOM 0 HG22 THR A 81 29.278 46.597 15.756 1.00 14.83 H new ATOM 0 HG23 THR A 81 29.646 45.573 16.907 1.00 14.83 H new ATOM 635 N GLY A 82 30.215 48.689 20.386 1.00 10.58 N ATOM 636 CA GLY A 82 29.935 49.438 21.595 1.00 9.65 C ATOM 637 C GLY A 82 28.605 48.880 22.289 1.00 13.24 C ATOM 638 O GLY A 82 28.270 49.395 23.361 1.00 15.26 O ATOM 0 H GLY A 82 30.647 47.959 20.528 1.00 10.58 H new ATOM 0 HA2 GLY A 82 30.683 49.368 22.209 1.00 9.65 H new ATOM 0 HA3 GLY A 82 29.829 50.379 21.384 1.00 9.65 H new ATOM 639 N VAL A 83 27.823 47.897 21.676 1.00 16.01 N ATOM 640 CA VAL A 83 26.533 47.270 22.273 1.00 14.14 C ATOM 641 C VAL A 83 26.325 45.725 22.216 1.00 13.23 C ATOM 642 O VAL A 83 26.935 45.138 21.348 1.00 15.45 O ATOM 643 CB VAL A 83 25.312 47.786 21.601 1.00 13.26 C ATOM 644 CG1 VAL A 83 25.336 49.321 21.769 1.00 8.93 C ATOM 645 CG2 VAL A 83 25.143 47.371 20.121 1.00 12.02 C ATOM 0 H VAL A 83 28.021 47.573 20.904 1.00 16.01 H new ATOM 0 HA VAL A 83 26.665 47.524 23.200 1.00 14.14 H new ATOM 0 HB VAL A 83 24.537 47.383 22.023 1.00 13.26 H new ATOM 0 HG11 VAL A 83 24.554 49.706 21.344 1.00 8.93 H new ATOM 0 HG12 VAL A 83 25.333 49.543 22.713 1.00 8.93 H new ATOM 0 HG13 VAL A 83 26.137 49.679 21.356 1.00 8.93 H new ATOM 0 HG21 VAL A 83 24.323 47.752 19.769 1.00 12.02 H new ATOM 0 HG22 VAL A 83 25.898 47.696 19.605 1.00 12.02 H new ATOM 0 HG23 VAL A 83 25.102 46.404 20.059 1.00 12.02 H new ATOM 646 N VAL A 84 25.258 45.125 22.866 1.00 15.85 N ATOM 647 CA VAL A 84 24.631 43.737 22.546 1.00 18.04 C ATOM 648 C VAL A 84 23.287 43.761 21.833 1.00 12.15 C ATOM 649 O VAL A 84 22.417 44.365 22.374 1.00 14.01 O ATOM 650 CB VAL A 84 24.396 42.847 23.809 1.00 14.12 C ATOM 651 CG1 VAL A 84 23.661 41.414 23.476 1.00 15.39 C ATOM 652 CG2 VAL A 84 25.726 42.775 24.561 1.00 13.59 C ATOM 0 H VAL A 84 24.861 45.513 23.523 1.00 15.85 H new ATOM 0 HA VAL A 84 25.311 43.372 21.958 1.00 18.04 H new ATOM 0 HB VAL A 84 23.741 43.246 24.403 1.00 14.12 H new ATOM 0 HG11 VAL A 84 23.545 40.911 24.297 1.00 15.39 H new ATOM 0 HG12 VAL A 84 22.794 41.580 23.074 1.00 15.39 H new ATOM 0 HG13 VAL A 84 24.210 40.904 22.860 1.00 15.39 H new ATOM 0 HG21 VAL A 84 25.620 42.228 25.355 1.00 13.59 H new ATOM 0 HG22 VAL A 84 26.402 42.382 23.987 1.00 13.59 H new ATOM 0 HG23 VAL A 84 26.001 43.669 24.819 1.00 13.59 H new ATOM 653 N VAL A 85 23.210 43.310 20.590 1.00 14.40 N ATOM 654 CA VAL A 85 22.024 43.345 19.729 1.00 16.99 C ATOM 655 C VAL A 85 20.860 42.214 20.051 1.00 15.75 C ATOM 656 O VAL A 85 21.032 40.998 19.986 1.00 15.40 O ATOM 657 CB VAL A 85 22.421 43.253 18.245 1.00 15.23 C ATOM 658 CG1 VAL A 85 21.196 43.160 17.295 1.00 24.26 C ATOM 659 CG2 VAL A 85 23.532 44.435 17.857 1.00 25.00 C ATOM 0 H VAL A 85 23.887 42.953 20.198 1.00 14.40 H new ATOM 0 HA VAL A 85 21.618 44.202 19.933 1.00 16.99 H new ATOM 0 HB VAL A 85 22.875 42.408 18.102 1.00 15.23 H new ATOM 0 HG11 VAL A 85 21.502 43.104 16.376 1.00 24.26 H new ATOM 0 HG12 VAL A 85 20.678 42.369 17.511 1.00 24.26 H new ATOM 0 HG13 VAL A 85 20.642 43.949 17.403 1.00 24.26 H new ATOM 0 HG21 VAL A 85 23.770 44.361 16.919 1.00 25.00 H new ATOM 0 HG22 VAL A 85 23.146 45.309 18.024 1.00 25.00 H new ATOM 0 HG23 VAL A 85 24.327 44.323 18.401 1.00 25.00 H new ATOM 660 N THR A 86 19.704 42.597 20.379 1.00 23.48 N ATOM 661 CA THR A 86 18.508 41.574 20.592 1.00 29.94 C ATOM 662 C THR A 86 17.866 41.072 19.269 1.00 26.61 C ATOM 663 O THR A 86 17.269 41.833 18.563 1.00 31.00 O ATOM 664 CB THR A 86 17.424 42.121 21.428 1.00 30.96 C ATOM 665 OG1 THR A 86 18.034 42.851 22.561 1.00 39.89 O ATOM 666 CG2 THR A 86 16.310 40.963 21.873 1.00 34.72 C ATOM 0 H THR A 86 19.491 43.421 20.506 1.00 23.48 H new ATOM 0 HA THR A 86 18.934 40.828 21.043 1.00 29.94 H new ATOM 0 HB THR A 86 16.895 42.752 20.915 1.00 30.96 H new ATOM 0 HG1 THR A 86 17.428 43.171 23.047 1.00 39.89 H new ATOM 0 HG21 THR A 86 15.620 41.371 22.419 1.00 34.72 H new ATOM 0 HG22 THR A 86 15.908 40.579 21.079 1.00 34.72 H new ATOM 0 HG23 THR A 86 16.753 40.265 22.380 1.00 34.72 H new ATOM 667 N ASP A 87 17.991 39.836 18.941 1.00 22.41 N ATOM 668 CA ASP A 87 17.340 39.214 17.741 1.00 16.95 C ATOM 669 C ASP A 87 16.166 38.089 18.055 1.00 28.65 C ATOM 670 O ASP A 87 15.767 37.896 19.242 1.00 23.13 O ATOM 671 CB ASP A 87 18.381 38.700 16.820 1.00 15.37 C ATOM 672 CG ASP A 87 18.908 37.490 17.443 1.00 38.36 C ATOM 673 OD1 ASP A 87 18.768 37.249 18.674 1.00 35.98 O ATOM 674 OD2 ASP A 87 19.826 37.017 16.832 1.00 39.74 O ATOM 0 H ASP A 87 18.463 39.280 19.397 1.00 22.41 H new ATOM 0 HA ASP A 87 16.842 39.927 17.312 1.00 16.95 H new ATOM 0 HB2 ASP A 87 18.007 38.506 15.947 1.00 15.37 H new ATOM 0 HB3 ASP A 87 19.083 39.357 16.688 1.00 15.37 H new ATOM 675 N ALA A 88 15.626 37.399 17.020 1.00 33.29 N ATOM 676 CA ALA A 88 14.479 36.299 17.156 1.00 34.98 C ATOM 677 C ALA A 88 14.798 35.203 18.109 1.00 34.15 C ATOM 678 O ALA A 88 13.933 34.696 18.949 1.00 33.94 O ATOM 679 CB ALA A 88 14.107 35.650 15.785 1.00 33.99 C ATOM 0 H ALA A 88 15.879 37.519 16.207 1.00 33.29 H new ATOM 0 HA ALA A 88 13.726 36.801 17.505 1.00 34.98 H new ATOM 0 HB1 ALA A 88 13.408 34.990 15.918 1.00 33.99 H new ATOM 0 HB2 ALA A 88 13.791 36.337 15.177 1.00 33.99 H new ATOM 0 HB3 ALA A 88 14.890 35.219 15.408 1.00 33.99 H new ATOM 680 N THR A 89 16.032 34.922 18.003 1.00 23.26 N ATOM 681 CA THR A 89 16.544 33.907 18.829 1.00 23.97 C ATOM 682 C THR A 89 16.506 34.232 20.312 1.00 21.16 C ATOM 683 O THR A 89 16.044 33.321 21.129 1.00 24.24 O ATOM 684 CB THR A 89 18.004 33.814 18.405 1.00 32.93 C ATOM 685 OG1 THR A 89 17.979 33.322 17.054 1.00 40.65 O ATOM 686 CG2 THR A 89 18.703 32.899 19.327 1.00 34.09 C ATOM 0 H THR A 89 16.592 35.297 17.468 1.00 23.26 H new ATOM 0 HA THR A 89 16.018 33.098 18.727 1.00 23.97 H new ATOM 0 HB THR A 89 18.476 34.661 18.439 1.00 32.93 H new ATOM 0 HG1 THR A 89 18.765 33.252 16.766 1.00 40.65 H new ATOM 0 HG21 THR A 89 19.636 32.830 19.069 1.00 34.09 H new ATOM 0 HG22 THR A 89 18.643 33.243 20.232 1.00 34.09 H new ATOM 0 HG23 THR A 89 18.291 32.022 19.287 1.00 34.09 H new ATOM 687 N LEU A 90 16.913 35.503 20.634 1.00 19.51 N ATOM 688 CA LEU A 90 16.935 35.881 22.047 1.00 22.76 C ATOM 689 C LEU A 90 15.525 35.946 22.586 1.00 25.14 C ATOM 690 O LEU A 90 15.237 35.552 23.761 1.00 22.48 O ATOM 691 CB LEU A 90 17.892 37.213 22.338 1.00 23.96 C ATOM 692 CG LEU A 90 19.383 37.117 22.021 1.00 26.43 C ATOM 693 CD1 LEU A 90 20.319 38.449 22.353 1.00 33.20 C ATOM 694 CD2 LEU A 90 19.867 35.907 22.725 1.00 32.77 C ATOM 0 H LEU A 90 17.160 36.109 20.076 1.00 19.51 H new ATOM 0 HA LEU A 90 17.378 35.189 22.562 1.00 22.76 H new ATOM 0 HB2 LEU A 90 17.529 37.955 21.830 1.00 23.96 H new ATOM 0 HB3 LEU A 90 17.803 37.442 23.276 1.00 23.96 H new ATOM 0 HG LEU A 90 19.477 37.065 21.057 1.00 26.43 H new ATOM 0 HD11 LEU A 90 21.240 38.266 22.110 1.00 33.20 H new ATOM 0 HD12 LEU A 90 19.995 39.208 21.843 1.00 33.20 H new ATOM 0 HD13 LEU A 90 20.269 38.652 23.300 1.00 33.20 H new ATOM 0 HD21 LEU A 90 20.816 35.794 22.559 1.00 32.77 H new ATOM 0 HD22 LEU A 90 19.715 36.004 23.678 1.00 32.77 H new ATOM 0 HD23 LEU A 90 19.387 35.129 22.400 1.00 32.77 H new ATOM 695 N LYS A 91 14.663 36.342 21.720 1.00 28.96 N ATOM 696 CA LYS A 91 13.244 36.363 22.096 1.00 30.83 C ATOM 697 C LYS A 91 12.524 34.936 22.383 1.00 32.11 C ATOM 698 O LYS A 91 11.781 34.679 23.395 1.00 30.14 O ATOM 699 CB LYS A 91 12.454 36.964 20.982 1.00 25.65 C ATOM 700 CG LYS A 91 13.049 38.435 20.635 1.00 33.61 C ATOM 701 CD LYS A 91 11.925 39.288 20.355 0.00 0.00 C ATOM 702 CE LYS A 91 12.500 40.733 19.900 0.00 0.00 C ATOM 703 NZ LYS A 91 13.143 40.685 18.584 0.00 0.00 N ATOM 0 H LYS A 91 14.842 36.603 20.920 1.00 28.96 H new ATOM 0 HA LYS A 91 13.250 36.858 22.930 1.00 30.83 H new ATOM 0 HB2 LYS A 91 12.495 36.394 20.198 1.00 25.65 H new ATOM 0 HB3 LYS A 91 11.520 37.033 21.234 1.00 25.65 H new ATOM 0 HG2 LYS A 91 13.565 38.781 21.380 1.00 33.61 H new ATOM 0 HG3 LYS A 91 13.646 38.392 19.872 1.00 33.61 H new ATOM 0 HD2 LYS A 91 11.374 38.905 19.654 0.00 0.00 H new ATOM 0 HD3 LYS A 91 11.363 39.378 21.140 0.00 0.00 H new ATOM 0 HE2 LYS A 91 11.774 41.376 19.880 0.00 0.00 H new ATOM 0 HE3 LYS A 91 13.139 41.047 20.559 0.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.444 41.495 18.371 0.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.824 40.112 18.607 0.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.552 40.419 17.974 0.00 0.00 H new ATOM 704 N ASN A 92 12.831 34.031 21.540 1.00 17.96 N ATOM 705 CA ASN A 92 12.290 32.604 21.697 1.00 15.68 C ATOM 706 C ASN A 92 12.859 32.016 22.938 1.00 15.75 C ATOM 707 O ASN A 92 12.082 31.220 23.670 1.00 23.50 O ATOM 708 CB ASN A 92 12.629 31.806 20.468 1.00 18.81 C ATOM 709 CG ASN A 92 11.993 30.337 20.681 1.00 39.89 C ATOM 710 OD1 ASN A 92 10.723 30.069 20.780 1.00 47.17 O ATOM 711 ND2 ASN A 92 12.818 29.585 21.227 1.00 46.02 N ATOM 0 H ASN A 92 13.339 34.153 20.857 1.00 17.96 H new ATOM 0 HA ASN A 92 11.324 32.600 21.782 1.00 15.68 H new ATOM 0 HB2 ASN A 92 12.266 32.227 19.673 1.00 18.81 H new ATOM 0 HB3 ASN A 92 13.590 31.751 20.347 1.00 18.81 H new ATOM 0 HD21 ASN A 92 12.548 28.896 21.665 1.00 46.02 H new ATOM 0 HD22 ASN A 92 13.659 29.754 21.167 1.00 46.02 H new ATOM 712 N LEU A 93 14.134 32.507 23.221 1.00 17.00 N ATOM 713 CA LEU A 93 14.772 32.107 24.453 1.00 15.57 C ATOM 714 C LEU A 93 14.064 32.510 25.697 1.00 17.81 C ATOM 715 O LEU A 93 13.848 31.691 26.649 1.00 20.79 O ATOM 716 CB LEU A 93 16.279 32.705 24.577 1.00 18.73 C ATOM 717 CG LEU A 93 17.196 31.772 23.966 1.00 29.01 C ATOM 718 CD1 LEU A 93 18.692 32.295 24.287 1.00 36.30 C ATOM 719 CD2 LEU A 93 16.777 30.307 24.453 1.00 29.39 C ATOM 0 H LEU A 93 14.587 33.038 22.719 1.00 17.00 H new ATOM 0 HA LEU A 93 14.763 31.139 24.390 1.00 15.57 H new ATOM 0 HB2 LEU A 93 16.336 33.569 24.139 1.00 18.73 H new ATOM 0 HB3 LEU A 93 16.511 32.844 25.509 1.00 18.73 H new ATOM 0 HG LEU A 93 17.167 31.716 22.998 1.00 29.01 H new ATOM 0 HD11 LEU A 93 19.338 31.690 23.890 1.00 36.30 H new ATOM 0 HD12 LEU A 93 18.811 33.183 23.916 1.00 36.30 H new ATOM 0 HD13 LEU A 93 18.825 32.326 25.247 1.00 36.30 H new ATOM 0 HD21 LEU A 93 17.375 29.652 24.060 1.00 29.39 H new ATOM 0 HD22 LEU A 93 16.835 30.258 25.420 1.00 29.39 H new ATOM 0 HD23 LEU A 93 15.866 30.121 24.175 1.00 29.39 H new ATOM 720 N GLY A 94 13.654 33.694 25.642 1.00 21.98 N ATOM 721 CA GLY A 94 12.919 34.197 26.756 1.00 15.86 C ATOM 722 C GLY A 94 11.604 33.252 27.049 1.00 20.56 C ATOM 723 O GLY A 94 11.271 32.921 28.228 1.00 21.95 O ATOM 0 H GLY A 94 13.775 34.240 24.989 1.00 21.98 H new ATOM 0 HA2 GLY A 94 13.488 34.223 27.541 1.00 15.86 H new ATOM 0 HA3 GLY A 94 12.637 35.108 26.580 1.00 15.86 H new ATOM 724 N SER A 95 10.949 32.752 25.981 1.00 25.48 N ATOM 725 CA SER A 95 9.677 31.810 26.075 1.00 21.97 C ATOM 726 C SER A 95 9.862 30.443 26.660 1.00 22.31 C ATOM 727 O SER A 95 9.074 29.920 27.563 1.00 24.45 O ATOM 728 CB SER A 95 9.028 31.603 24.681 1.00 26.73 C ATOM 729 OG SER A 95 7.869 30.567 24.750 1.00 43.98 O ATOM 0 H SER A 95 11.188 32.918 25.172 1.00 25.48 H new ATOM 0 HA SER A 95 9.121 32.305 26.697 1.00 21.97 H new ATOM 0 HB2 SER A 95 8.690 32.450 24.350 1.00 26.73 H new ATOM 0 HB3 SER A 95 9.700 31.300 24.050 1.00 26.73 H new ATOM 0 HG SER A 95 7.532 30.472 23.986 1.00 43.98 H new ATOM 730 N VAL A 96 10.867 29.888 26.162 1.00 17.54 N ATOM 731 CA VAL A 96 11.114 28.566 26.657 1.00 11.77 C ATOM 732 C VAL A 96 11.508 28.586 28.130 1.00 22.36 C ATOM 733 O VAL A 96 11.001 27.626 28.875 1.00 19.21 O ATOM 734 CB VAL A 96 12.070 27.873 25.763 1.00 12.74 C ATOM 735 CG1 VAL A 96 13.223 28.847 25.124 1.00 34.96 C ATOM 736 CG2 VAL A 96 12.625 26.703 26.472 1.00 31.28 C ATOM 0 H VAL A 96 11.407 30.206 25.573 1.00 17.54 H new ATOM 0 HA VAL A 96 10.297 28.044 26.638 1.00 11.77 H new ATOM 0 HB VAL A 96 11.582 27.569 24.982 1.00 12.74 H new ATOM 0 HG11 VAL A 96 13.808 28.325 24.553 1.00 34.96 H new ATOM 0 HG12 VAL A 96 12.802 29.547 24.601 1.00 34.96 H new ATOM 0 HG13 VAL A 96 13.742 29.246 25.839 1.00 34.96 H new ATOM 0 HG21 VAL A 96 13.253 26.242 25.894 1.00 31.28 H new ATOM 0 HG22 VAL A 96 13.082 26.998 27.275 1.00 31.28 H new ATOM 0 HG23 VAL A 96 11.905 26.099 26.713 1.00 31.28 H new ATOM 737 N HIS A 97 12.231 29.712 28.575 1.00 14.26 N ATOM 738 CA HIS A 97 12.610 29.813 29.993 1.00 14.25 C ATOM 739 C HIS A 97 11.416 29.893 30.910 1.00 14.73 C ATOM 740 O HIS A 97 11.285 29.191 31.957 1.00 20.10 O ATOM 741 CB HIS A 97 13.748 31.002 30.275 1.00 13.46 C ATOM 742 CG HIS A 97 15.092 30.671 29.720 1.00 18.07 C ATOM 743 ND1 HIS A 97 15.615 31.173 28.492 1.00 22.43 N ATOM 744 CD2 HIS A 97 15.904 29.863 30.226 1.00 18.15 C ATOM 745 CE1 HIS A 97 16.806 30.649 28.244 1.00 21.00 C ATOM 746 NE2 HIS A 97 16.983 29.824 29.338 1.00 13.38 N ATOM 0 H HIS A 97 12.480 30.368 28.078 1.00 14.26 H new ATOM 0 HA HIS A 97 13.051 28.979 30.217 1.00 14.25 H new ATOM 0 HB2 HIS A 97 13.440 31.835 29.886 1.00 13.46 H new ATOM 0 HB3 HIS A 97 13.826 31.147 31.231 1.00 13.46 H new ATOM 0 HD1 HIS A 97 15.213 31.738 27.983 1.00 22.43 H new ATOM 0 HD2 HIS A 97 15.810 29.391 31.021 1.00 18.15 H new ATOM 0 HE1 HIS A 97 17.374 30.797 27.523 1.00 21.00 H new ATOM 747 N VAL A 98 10.548 30.656 30.475 1.00 16.19 N ATOM 748 CA VAL A 98 9.327 30.749 31.250 1.00 11.23 C ATOM 749 C VAL A 98 8.444 29.367 31.368 1.00 15.50 C ATOM 750 O VAL A 98 8.047 28.926 32.502 1.00 17.61 O ATOM 751 CB VAL A 98 8.528 31.790 30.627 1.00 10.79 C ATOM 752 CG1 VAL A 98 7.167 31.801 31.337 1.00 29.04 C ATOM 753 CG2 VAL A 98 9.359 33.212 30.669 1.00 17.96 C ATOM 0 H VAL A 98 10.595 31.135 29.762 1.00 16.19 H new ATOM 0 HA VAL A 98 9.578 30.942 32.167 1.00 11.23 H new ATOM 0 HB VAL A 98 8.356 31.632 29.686 1.00 10.79 H new ATOM 0 HG11 VAL A 98 6.603 32.487 30.946 1.00 29.04 H new ATOM 0 HG12 VAL A 98 6.741 30.936 31.234 1.00 29.04 H new ATOM 0 HG13 VAL A 98 7.295 31.987 32.280 1.00 29.04 H new ATOM 0 HG21 VAL A 98 8.828 33.910 30.254 1.00 17.96 H new ATOM 0 HG22 VAL A 98 9.544 33.452 31.591 1.00 17.96 H new ATOM 0 HG23 VAL A 98 10.195 33.113 30.188 1.00 17.96 H new ATOM 754 N SER A 99 8.342 28.644 30.255 1.00 20.57 N ATOM 755 CA SER A 99 7.595 27.258 30.190 1.00 23.39 C ATOM 756 C SER A 99 8.153 26.282 31.123 1.00 27.06 C ATOM 757 O SER A 99 7.362 25.319 31.628 1.00 29.55 O ATOM 758 CB SER A 99 7.595 26.676 28.767 1.00 19.91 C ATOM 759 OG SER A 99 6.959 27.508 27.884 1.00 47.02 O ATOM 0 H SER A 99 8.678 28.890 29.503 1.00 20.57 H new ATOM 0 HA SER A 99 6.679 27.437 30.453 1.00 23.39 H new ATOM 0 HB2 SER A 99 8.509 26.531 28.476 1.00 19.91 H new ATOM 0 HB3 SER A 99 7.157 25.810 28.770 1.00 19.91 H new ATOM 0 HG SER A 99 7.452 28.167 27.714 1.00 47.02 H new ATOM 760 N LYS A 100 9.469 26.489 31.286 1.00 21.91 N ATOM 761 CA LYS A 100 10.130 25.558 32.094 1.00 18.28 C ATOM 762 C LYS A 100 10.188 25.925 33.572 1.00 14.20 C ATOM 763 O LYS A 100 10.661 25.175 34.394 1.00 24.38 O ATOM 764 CB LYS A 100 11.571 25.500 31.577 1.00 21.11 C ATOM 765 CG LYS A 100 11.572 24.855 30.178 1.00 27.81 C ATOM 766 CD LYS A 100 10.942 23.348 30.187 1.00 36.12 C ATOM 767 CE LYS A 100 10.996 22.691 28.798 1.00 36.52 C ATOM 768 NZ LYS A 100 10.482 21.236 28.872 0.00 0.00 N ATOM 0 H LYS A 100 9.940 27.125 30.950 1.00 21.91 H new ATOM 0 HA LYS A 100 9.642 24.721 32.041 1.00 18.28 H new ATOM 0 HB2 LYS A 100 11.949 26.392 31.535 1.00 21.11 H new ATOM 0 HB3 LYS A 100 12.125 24.985 32.184 1.00 21.11 H new ATOM 0 HG2 LYS A 100 11.064 25.412 29.568 1.00 27.81 H new ATOM 0 HG3 LYS A 100 12.481 24.821 29.841 1.00 27.81 H new ATOM 0 HD2 LYS A 100 11.428 22.799 30.822 1.00 36.12 H new ATOM 0 HD3 LYS A 100 10.021 23.385 30.490 1.00 36.12 H new ATOM 0 HE2 LYS A 100 10.457 23.199 28.172 1.00 36.52 H new ATOM 0 HE3 LYS A 100 11.906 22.702 28.463 1.00 36.52 H new ATOM 0 HZ1 LYS A 100 10.518 20.867 28.063 0.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.991 20.769 29.434 0.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.641 21.233 29.162 0.00 0.00 H new ATOM 769 N GLY A 101 9.643 26.988 33.909 1.00 17.07 N ATOM 770 CA GLY A 101 9.589 27.399 35.312 1.00 13.91 C ATOM 771 C GLY A 101 10.943 28.126 35.833 1.00 23.09 C ATOM 772 O GLY A 101 11.226 28.101 37.057 1.00 19.32 O ATOM 0 H GLY A 101 9.273 27.537 33.360 1.00 17.07 H new ATOM 0 HA2 GLY A 101 8.840 28.003 35.435 1.00 13.91 H new ATOM 0 HA3 GLY A 101 9.418 26.619 35.863 1.00 13.91 H new ATOM 773 N VAL A 102 11.718 28.820 34.936 1.00 17.12 N ATOM 774 CA VAL A 102 13.005 29.667 35.277 1.00 9.61 C ATOM 775 C VAL A 102 12.765 31.074 35.693 1.00 11.90 C ATOM 776 O VAL A 102 11.900 31.617 35.075 1.00 19.74 O ATOM 777 CB VAL A 102 13.942 29.752 34.044 1.00 13.47 C ATOM 778 CG1 VAL A 102 15.283 30.730 34.220 1.00 13.02 C ATOM 779 CG2 VAL A 102 14.182 28.333 33.609 1.00 12.64 C ATOM 0 H VAL A 102 11.534 28.831 34.096 1.00 17.12 H new ATOM 0 HA VAL A 102 13.389 29.189 36.029 1.00 9.61 H new ATOM 0 HB VAL A 102 13.517 30.240 33.321 1.00 13.47 H new ATOM 0 HG11 VAL A 102 15.803 30.717 33.401 1.00 13.02 H new ATOM 0 HG12 VAL A 102 14.999 31.638 34.408 1.00 13.02 H new ATOM 0 HG13 VAL A 102 15.828 30.404 34.953 1.00 13.02 H new ATOM 0 HG21 VAL A 102 14.766 28.326 32.835 1.00 12.64 H new ATOM 0 HG22 VAL A 102 14.598 27.839 34.332 1.00 12.64 H new ATOM 0 HG23 VAL A 102 13.336 27.917 33.379 1.00 12.64 H new ATOM 780 N ALA A 103 13.395 31.606 36.763 1.00 9.90 N ATOM 781 CA ALA A 103 13.249 32.958 37.250 1.00 6.82 C ATOM 782 C ALA A 103 14.612 33.875 37.298 1.00 10.05 C ATOM 783 O ALA A 103 15.670 33.373 37.106 1.00 12.26 O ATOM 784 CB ALA A 103 12.638 32.862 38.665 1.00 9.22 C ATOM 0 H ALA A 103 13.946 31.146 37.237 1.00 9.90 H new ATOM 0 HA ALA A 103 12.686 33.421 36.610 1.00 6.82 H new ATOM 0 HB1 ALA A 103 12.523 33.754 39.029 1.00 9.22 H new ATOM 0 HB2 ALA A 103 11.776 32.420 38.616 1.00 9.22 H new ATOM 0 HB3 ALA A 103 13.230 32.352 39.240 1.00 9.22 H new ATOM 785 N ASP A 104 14.574 35.175 37.469 1.00 11.67 N ATOM 786 CA ASP A 104 15.799 36.201 37.509 1.00 12.26 C ATOM 787 C ASP A 104 16.839 35.874 38.522 1.00 13.29 C ATOM 788 O ASP A 104 18.075 36.295 38.334 1.00 16.10 O ATOM 789 CB ASP A 104 15.440 37.591 37.889 1.00 16.44 C ATOM 790 CG ASP A 104 14.658 38.113 36.747 1.00 38.48 C ATOM 791 OD1 ASP A 104 14.512 39.337 36.725 1.00 43.23 O ATOM 792 OD2 ASP A 104 14.456 37.430 35.693 1.00 40.82 O ATOM 0 H ASP A 104 13.823 35.580 37.578 1.00 11.67 H new ATOM 0 HA ASP A 104 16.110 36.126 36.593 1.00 12.26 H new ATOM 0 HB2 ASP A 104 14.920 37.608 38.707 1.00 16.44 H new ATOM 0 HB3 ASP A 104 16.233 38.128 38.046 1.00 16.44 H new ATOM 793 N ALA A 105 16.344 35.244 39.606 1.00 8.36 N ATOM 794 CA ALA A 105 17.234 34.931 40.695 1.00 7.95 C ATOM 795 C ALA A 105 17.986 33.753 40.376 1.00 9.86 C ATOM 796 O ALA A 105 18.978 33.564 41.081 1.00 13.27 O ATOM 797 CB ALA A 105 16.443 34.664 42.016 1.00 4.90 C ATOM 0 H ALA A 105 15.525 35.005 39.712 1.00 8.36 H new ATOM 0 HA ALA A 105 17.822 35.692 40.825 1.00 7.95 H new ATOM 0 HB1 ALA A 105 17.066 34.456 42.730 1.00 4.90 H new ATOM 0 HB2 ALA A 105 15.932 35.454 42.253 1.00 4.90 H new ATOM 0 HB3 ALA A 105 15.839 33.916 41.886 1.00 4.90 H new ATOM 798 N HIS A 106 17.641 33.073 39.266 1.00 12.56 N ATOM 799 CA HIS A 106 18.397 31.999 38.821 1.00 12.77 C ATOM 800 C HIS A 106 19.717 32.567 38.126 1.00 15.86 C ATOM 801 O HIS A 106 20.655 31.866 38.052 1.00 16.23 O ATOM 802 CB HIS A 106 17.580 30.990 37.842 1.00 12.07 C ATOM 803 CG HIS A 106 16.490 29.955 38.525 1.00 9.18 C ATOM 804 ND1 HIS A 106 15.108 29.977 38.319 1.00 10.52 N ATOM 805 CD2 HIS A 106 16.632 28.914 39.338 1.00 13.27 C ATOM 806 CE1 HIS A 106 14.375 28.898 39.048 1.00 13.28 C ATOM 807 NE2 HIS A 106 15.337 28.231 39.687 1.00 12.69 N ATOM 0 H HIS A 106 16.955 33.255 38.780 1.00 12.56 H new ATOM 0 HA HIS A 106 18.633 31.454 39.588 1.00 12.77 H new ATOM 0 HB2 HIS A 106 17.108 31.529 37.188 1.00 12.07 H new ATOM 0 HB3 HIS A 106 18.229 30.458 37.356 1.00 12.07 H new ATOM 0 HD2 HIS A 106 17.457 28.633 39.662 1.00 13.27 H new ATOM 0 HE1 HIS A 106 13.460 28.730 39.055 1.00 13.28 H new ATOM 0 HE2 HIS A 106 15.237 27.546 40.197 1.00 12.69 H new ATOM 808 N PHE A 107 19.713 33.726 37.507 1.00 11.58 N ATOM 809 CA PHE A 107 20.880 34.361 36.710 1.00 15.72 C ATOM 810 C PHE A 107 22.269 34.540 37.386 1.00 10.63 C ATOM 811 O PHE A 107 23.242 34.206 36.741 1.00 10.44 O ATOM 812 CB PHE A 107 20.631 35.632 35.931 1.00 17.19 C ATOM 813 CG PHE A 107 19.664 35.262 34.740 1.00 11.05 C ATOM 814 CD1 PHE A 107 18.280 35.017 34.934 1.00 11.79 C ATOM 815 CD2 PHE A 107 20.186 35.155 33.478 1.00 10.80 C ATOM 816 CE1 PHE A 107 17.412 34.661 33.862 1.00 13.60 C ATOM 817 CE2 PHE A 107 19.327 34.797 32.400 1.00 18.77 C ATOM 818 CZ PHE A 107 17.937 34.546 32.593 1.00 12.94 C ATOM 0 H PHE A 107 19.016 34.230 37.510 1.00 11.58 H new ATOM 0 HA PHE A 107 20.914 33.602 36.107 1.00 15.72 H new ATOM 0 HB2 PHE A 107 20.232 36.310 36.499 1.00 17.19 H new ATOM 0 HB3 PHE A 107 21.464 35.998 35.595 1.00 17.19 H new ATOM 0 HD1 PHE A 107 17.927 35.091 35.791 1.00 11.79 H new ATOM 0 HD2 PHE A 107 21.090 35.314 33.327 1.00 10.80 H new ATOM 0 HE1 PHE A 107 16.507 34.509 34.016 1.00 13.60 H new ATOM 0 HE2 PHE A 107 19.684 34.725 31.544 1.00 18.77 H new ATOM 0 HZ PHE A 107 17.395 34.309 31.876 1.00 12.94 H new ATOM 819 N PRO A 108 22.408 34.983 38.634 1.00 10.33 N ATOM 820 CA PRO A 108 23.715 35.066 39.328 1.00 9.01 C ATOM 821 C PRO A 108 24.187 33.699 39.539 1.00 9.86 C ATOM 822 O PRO A 108 25.431 33.659 39.652 1.00 10.26 O ATOM 823 CB PRO A 108 23.592 35.787 40.672 1.00 14.43 C ATOM 824 CG PRO A 108 22.245 36.339 40.638 1.00 3.83 C ATOM 825 CD PRO A 108 21.464 35.678 39.428 1.00 3.20 C ATOM 0 HA PRO A 108 24.339 35.574 38.787 1.00 9.01 H new ATOM 0 HB2 PRO A 108 23.710 35.177 41.417 1.00 14.43 H new ATOM 0 HB3 PRO A 108 24.261 36.483 40.767 1.00 14.43 H new ATOM 0 HG2 PRO A 108 21.786 36.161 41.474 1.00 3.83 H new ATOM 0 HG3 PRO A 108 22.278 37.303 40.532 1.00 3.83 H new ATOM 0 HD2 PRO A 108 20.781 35.071 39.755 1.00 3.20 H new ATOM 0 HD3 PRO A 108 21.012 36.357 38.903 1.00 3.20 H new ATOM 826 N VAL A 109 23.244 32.608 39.550 1.00 10.16 N ATOM 827 CA VAL A 109 23.624 31.253 39.702 1.00 8.02 C ATOM 828 C VAL A 109 24.397 30.870 38.488 1.00 13.92 C ATOM 829 O VAL A 109 25.509 30.447 38.630 1.00 14.27 O ATOM 830 CB VAL A 109 22.376 30.155 39.911 1.00 14.24 C ATOM 831 CG1 VAL A 109 22.737 28.711 39.842 1.00 10.98 C ATOM 832 CG2 VAL A 109 21.632 30.378 41.217 1.00 8.41 C ATOM 0 H VAL A 109 22.396 32.720 39.465 1.00 10.16 H new ATOM 0 HA VAL A 109 24.134 31.207 40.526 1.00 8.02 H new ATOM 0 HB VAL A 109 21.818 30.342 39.140 1.00 14.24 H new ATOM 0 HG11 VAL A 109 21.942 28.172 39.976 1.00 10.98 H new ATOM 0 HG12 VAL A 109 23.118 28.514 38.972 1.00 10.98 H new ATOM 0 HG13 VAL A 109 23.386 28.506 40.533 1.00 10.98 H new ATOM 0 HG21 VAL A 109 20.920 29.724 41.300 1.00 8.41 H new ATOM 0 HG22 VAL A 109 22.247 30.281 41.961 1.00 8.41 H new ATOM 0 HG23 VAL A 109 21.253 31.271 41.225 1.00 8.41 H new ATOM 833 N VAL A 110 23.825 31.046 37.333 1.00 10.39 N ATOM 834 CA VAL A 110 24.471 30.700 36.096 1.00 11.44 C ATOM 835 C VAL A 110 25.780 31.665 35.816 1.00 9.98 C ATOM 836 O VAL A 110 26.795 31.217 35.369 1.00 11.30 O ATOM 837 CB VAL A 110 23.471 30.617 34.914 1.00 12.98 C ATOM 838 CG1 VAL A 110 24.168 30.501 33.554 1.00 14.97 C ATOM 839 CG2 VAL A 110 22.297 29.438 35.111 1.00 6.56 C ATOM 0 H VAL A 110 23.036 31.375 37.237 1.00 10.39 H new ATOM 0 HA VAL A 110 24.822 29.800 36.180 1.00 11.44 H new ATOM 0 HB VAL A 110 23.004 31.467 34.923 1.00 12.98 H new ATOM 0 HG11 VAL A 110 23.501 30.452 32.851 1.00 14.97 H new ATOM 0 HG12 VAL A 110 24.731 31.278 33.411 1.00 14.97 H new ATOM 0 HG13 VAL A 110 24.714 29.699 33.537 1.00 14.97 H new ATOM 0 HG21 VAL A 110 21.706 29.438 34.342 1.00 6.56 H new ATOM 0 HG22 VAL A 110 22.721 28.569 35.193 1.00 6.56 H new ATOM 0 HG23 VAL A 110 21.783 29.624 35.913 1.00 6.56 H new ATOM 840 N LYS A 111 25.807 32.915 36.224 1.00 10.26 N ATOM 841 CA LYS A 111 27.037 33.918 36.094 1.00 4.25 C ATOM 842 C LYS A 111 28.255 33.514 36.822 1.00 8.28 C ATOM 843 O LYS A 111 29.334 33.453 36.191 1.00 7.50 O ATOM 844 CB LYS A 111 26.753 35.275 36.644 1.00 7.61 C ATOM 845 CG LYS A 111 27.942 36.426 36.430 1.00 15.49 C ATOM 846 CD LYS A 111 27.540 37.760 36.927 1.00 18.28 C ATOM 847 CE LYS A 111 28.705 38.950 36.843 1.00 20.46 C ATOM 848 NZ LYS A 111 28.199 40.176 37.296 1.00 21.31 N ATOM 0 H LYS A 111 25.127 33.280 36.604 1.00 10.26 H new ATOM 0 HA LYS A 111 27.177 33.912 35.134 1.00 4.25 H new ATOM 0 HB2 LYS A 111 25.936 35.603 36.237 1.00 7.61 H new ATOM 0 HB3 LYS A 111 26.582 35.188 37.595 1.00 7.61 H new ATOM 0 HG2 LYS A 111 28.748 36.143 36.890 1.00 15.49 H new ATOM 0 HG3 LYS A 111 28.161 36.489 35.487 1.00 15.49 H new ATOM 0 HD2 LYS A 111 26.765 38.054 36.423 1.00 18.28 H new ATOM 0 HD3 LYS A 111 27.260 37.671 37.851 1.00 18.28 H new ATOM 0 HE2 LYS A 111 29.473 38.695 37.378 1.00 20.46 H new ATOM 0 HE3 LYS A 111 29.014 39.041 35.928 1.00 20.46 H new ATOM 0 HZ1 LYS A 111 28.820 40.806 37.203 1.00 21.31 H new ATOM 0 HZ2 LYS A 111 27.480 40.395 36.819 1.00 21.31 H new ATOM 0 HZ3 LYS A 111 27.975 40.106 38.154 1.00 21.31 H new ATOM 849 N GLU A 112 28.057 33.159 38.086 1.00 5.23 N ATOM 850 CA GLU A 112 29.151 32.712 38.859 1.00 9.64 C ATOM 851 C GLU A 112 29.588 31.427 38.312 1.00 8.52 C ATOM 852 O GLU A 112 30.827 31.346 38.239 1.00 11.87 O ATOM 853 CB GLU A 112 28.794 32.533 40.351 1.00 3.10 C ATOM 854 CG GLU A 112 28.479 33.856 40.979 1.00 16.42 C ATOM 855 CD GLU A 112 29.708 34.960 40.834 1.00 21.24 C ATOM 856 OE1 GLU A 112 30.866 34.722 41.143 1.00 20.36 O ATOM 857 OE2 GLU A 112 29.592 36.079 40.313 1.00 16.30 O ATOM 0 H GLU A 112 27.299 33.176 38.492 1.00 5.23 H new ATOM 0 HA GLU A 112 29.851 33.382 38.815 1.00 9.64 H new ATOM 0 HB2 GLU A 112 28.032 31.939 40.438 1.00 3.10 H new ATOM 0 HB3 GLU A 112 29.534 32.115 40.818 1.00 3.10 H new ATOM 0 HG2 GLU A 112 27.677 34.218 40.570 1.00 16.42 H new ATOM 0 HG3 GLU A 112 28.282 33.722 41.919 1.00 16.42 H new ATOM 858 N ALA A 113 28.609 30.527 37.827 1.00 8.07 N ATOM 859 CA ALA A 113 28.887 29.253 37.252 1.00 3.83 C ATOM 860 C ALA A 113 29.713 29.463 35.969 1.00 3.00 C ATOM 861 O ALA A 113 30.641 28.774 35.776 1.00 7.97 O ATOM 862 CB ALA A 113 27.561 28.285 36.995 1.00 7.04 C ATOM 0 H ALA A 113 27.768 30.705 37.854 1.00 8.07 H new ATOM 0 HA ALA A 113 29.398 28.752 37.906 1.00 3.83 H new ATOM 0 HB1 ALA A 113 27.845 27.444 36.604 1.00 7.04 H new ATOM 0 HB2 ALA A 113 27.116 28.114 37.840 1.00 7.04 H new ATOM 0 HB3 ALA A 113 26.947 28.731 36.391 1.00 7.04 H new ATOM 863 N ILE A 114 29.441 30.436 35.168 1.00 9.41 N ATOM 864 CA ILE A 114 30.211 30.781 33.923 1.00 7.61 C ATOM 865 C ILE A 114 31.662 31.446 34.200 1.00 8.30 C ATOM 866 O ILE A 114 32.627 31.017 33.621 1.00 9.66 O ATOM 867 CB ILE A 114 29.508 31.696 32.996 1.00 5.56 C ATOM 868 CG1 ILE A 114 28.224 30.882 32.374 1.00 5.37 C ATOM 869 CG2 ILE A 114 30.470 32.367 31.894 1.00 7.72 C ATOM 870 CD1 ILE A 114 27.519 31.739 31.401 1.00 13.13 C ATOM 0 H ILE A 114 28.777 30.966 35.304 1.00 9.41 H new ATOM 0 HA ILE A 114 30.311 29.906 33.515 1.00 7.61 H new ATOM 0 HB ILE A 114 29.184 32.471 33.482 1.00 5.56 H new ATOM 0 HG12 ILE A 114 28.524 30.067 31.943 1.00 5.37 H new ATOM 0 HG13 ILE A 114 27.619 30.620 33.086 1.00 5.37 H new ATOM 0 HG21 ILE A 114 29.949 32.952 31.322 1.00 7.72 H new ATOM 0 HG22 ILE A 114 31.161 32.882 32.338 1.00 7.72 H new ATOM 0 HG23 ILE A 114 30.881 31.672 31.356 1.00 7.72 H new ATOM 0 HD11 ILE A 114 26.761 31.257 31.035 1.00 13.13 H new ATOM 0 HD12 ILE A 114 27.207 32.543 31.844 1.00 13.13 H new ATOM 0 HD13 ILE A 114 28.125 31.981 30.684 1.00 13.13 H new ATOM 871 N LEU A 115 31.802 32.367 35.152 1.00 8.61 N ATOM 872 CA LEU A 115 33.144 33.056 35.551 1.00 7.91 C ATOM 873 C LEU A 115 34.010 32.078 36.141 1.00 9.01 C ATOM 874 O LEU A 115 35.219 32.137 35.776 1.00 15.91 O ATOM 875 CB LEU A 115 33.047 34.200 36.560 1.00 14.93 C ATOM 876 CG LEU A 115 32.413 35.383 35.966 1.00 12.66 C ATOM 877 CD1 LEU A 115 32.205 36.421 37.053 1.00 14.89 C ATOM 878 CD2 LEU A 115 33.239 36.075 34.783 1.00 8.27 C ATOM 0 H LEU A 115 31.136 32.645 35.619 1.00 8.61 H new ATOM 0 HA LEU A 115 33.469 33.438 34.721 1.00 7.91 H new ATOM 0 HB2 LEU A 115 32.537 33.910 37.332 1.00 14.93 H new ATOM 0 HB3 LEU A 115 33.934 34.431 36.877 1.00 14.93 H new ATOM 0 HG LEU A 115 31.584 35.065 35.576 1.00 12.66 H new ATOM 0 HD11 LEU A 115 31.786 37.209 36.673 1.00 14.89 H new ATOM 0 HD12 LEU A 115 31.634 36.054 37.746 1.00 14.89 H new ATOM 0 HD13 LEU A 115 33.062 36.664 37.437 1.00 14.89 H new ATOM 0 HD21 LEU A 115 32.748 36.844 34.452 1.00 8.27 H new ATOM 0 HD22 LEU A 115 34.103 36.363 35.117 1.00 8.27 H new ATOM 0 HD23 LEU A 115 33.367 35.439 34.062 1.00 8.27 H new ATOM 879 N LYS A 116 33.391 31.149 36.952 1.00 5.58 N ATOM 880 CA LYS A 116 34.156 30.156 37.531 1.00 4.04 C ATOM 881 C LYS A 116 34.513 29.146 36.500 1.00 8.12 C ATOM 882 O LYS A 116 35.656 28.779 36.545 1.00 12.16 O ATOM 883 CB LYS A 116 33.426 29.408 38.733 1.00 4.78 C ATOM 884 CG LYS A 116 33.263 30.374 39.900 1.00 39.76 C ATOM 885 CD LYS A 116 32.497 29.631 41.089 1.00 44.50 C ATOM 886 CE LYS A 116 32.210 30.616 42.203 1.00 44.19 C ATOM 887 NZ LYS A 116 31.467 29.866 43.305 0.00 0.00 N ATOM 0 H LYS A 116 32.551 31.129 37.136 1.00 5.58 H new ATOM 0 HA LYS A 116 34.942 30.593 37.895 1.00 4.04 H new ATOM 0 HB2 LYS A 116 32.559 29.081 38.446 1.00 4.78 H new ATOM 0 HB3 LYS A 116 33.943 28.635 39.009 1.00 4.78 H new ATOM 0 HG2 LYS A 116 34.131 30.683 40.203 1.00 39.76 H new ATOM 0 HG3 LYS A 116 32.765 31.158 39.619 1.00 39.76 H new ATOM 0 HD2 LYS A 116 31.668 29.248 40.762 1.00 44.50 H new ATOM 0 HD3 LYS A 116 33.036 28.897 41.424 1.00 44.50 H new ATOM 0 HE2 LYS A 116 33.036 30.993 42.545 1.00 44.19 H new ATOM 0 HE3 LYS A 116 31.675 31.355 41.874 1.00 44.19 H new ATOM 0 HZ1 LYS A 116 31.286 30.424 43.974 0.00 0.00 H new ATOM 0 HZ2 LYS A 116 30.707 29.537 42.980 0.00 0.00 H new ATOM 0 HZ3 LYS A 116 31.975 29.199 43.605 0.00 0.00 H new ATOM 888 N THR A 117 33.620 28.804 35.542 1.00 8.63 N ATOM 889 CA THR A 117 33.896 27.899 34.455 1.00 8.08 C ATOM 890 C THR A 117 35.086 28.534 33.597 1.00 10.81 C ATOM 891 O THR A 117 36.010 27.865 33.321 1.00 16.49 O ATOM 892 CB THR A 117 32.644 27.457 33.559 1.00 13.51 C ATOM 893 OG1 THR A 117 31.584 26.707 34.336 1.00 10.06 O ATOM 894 CG2 THR A 117 32.948 26.576 32.363 1.00 7.68 C ATOM 0 H THR A 117 32.818 29.114 35.526 1.00 8.63 H new ATOM 0 HA THR A 117 34.156 27.049 34.843 1.00 8.08 H new ATOM 0 HB THR A 117 32.339 28.325 33.251 1.00 13.51 H new ATOM 0 HG1 THR A 117 31.177 27.240 34.842 1.00 10.06 H new ATOM 0 HG21 THR A 117 32.124 26.370 31.895 1.00 7.68 H new ATOM 0 HG22 THR A 117 33.552 27.041 31.764 1.00 7.68 H new ATOM 0 HG23 THR A 117 33.363 25.752 32.664 1.00 7.68 H new ATOM 895 N ILE A 118 35.075 29.790 33.220 1.00 12.63 N ATOM 896 CA ILE A 118 36.163 30.499 32.385 1.00 9.63 C ATOM 897 C ILE A 118 37.509 30.714 33.129 1.00 12.92 C ATOM 898 O ILE A 118 38.561 30.481 32.548 1.00 11.81 O ATOM 899 CB ILE A 118 35.800 31.862 31.899 1.00 14.67 C ATOM 900 CG1 ILE A 118 34.649 31.619 30.862 1.00 16.90 C ATOM 901 CG2 ILE A 118 37.040 32.794 31.328 1.00 14.98 C ATOM 902 CD1 ILE A 118 35.051 30.836 29.634 1.00 15.09 C ATOM 0 H ILE A 118 34.428 30.317 33.427 1.00 12.63 H new ATOM 0 HA ILE A 118 36.249 29.872 31.650 1.00 9.63 H new ATOM 0 HB ILE A 118 35.516 32.414 32.644 1.00 14.67 H new ATOM 0 HG12 ILE A 118 33.926 31.149 31.306 1.00 16.90 H new ATOM 0 HG13 ILE A 118 34.299 32.479 30.581 1.00 16.90 H new ATOM 0 HG21 ILE A 118 36.693 33.653 31.041 1.00 14.98 H new ATOM 0 HG22 ILE A 118 37.694 32.929 32.031 1.00 14.98 H new ATOM 0 HG23 ILE A 118 37.461 32.348 30.577 1.00 14.98 H new ATOM 0 HD11 ILE A 118 34.283 30.733 29.050 1.00 15.09 H new ATOM 0 HD12 ILE A 118 35.753 31.311 29.163 1.00 15.09 H new ATOM 0 HD13 ILE A 118 35.375 29.961 29.900 1.00 15.09 H new ATOM 903 N LYS A 119 37.422 30.894 34.428 1.00 9.15 N ATOM 904 CA LYS A 119 38.636 31.000 35.264 1.00 12.45 C ATOM 905 C LYS A 119 39.253 29.701 35.275 1.00 14.06 C ATOM 906 O LYS A 119 40.503 29.744 35.085 1.00 15.62 O ATOM 907 CB LYS A 119 38.345 31.427 36.702 1.00 21.33 C ATOM 908 CG LYS A 119 39.635 31.627 37.567 1.00 25.44 C ATOM 909 CD LYS A 119 39.368 32.005 39.027 1.00 26.26 C ATOM 910 CE LYS A 119 38.959 33.417 39.170 0.00 0.00 C ATOM 911 NZ LYS A 119 38.888 33.775 40.591 0.00 0.00 N ATOM 0 H LYS A 119 36.681 30.959 34.860 1.00 9.15 H new ATOM 0 HA LYS A 119 39.210 31.685 34.887 1.00 12.45 H new ATOM 0 HB2 LYS A 119 37.841 32.255 36.690 1.00 21.33 H new ATOM 0 HB3 LYS A 119 37.782 30.758 37.123 1.00 21.33 H new ATOM 0 HG2 LYS A 119 40.155 30.808 37.547 1.00 25.44 H new ATOM 0 HG3 LYS A 119 40.180 32.319 37.160 1.00 25.44 H new ATOM 0 HD2 LYS A 119 38.674 31.431 39.387 1.00 26.26 H new ATOM 0 HD3 LYS A 119 40.168 31.847 39.552 1.00 26.26 H new ATOM 0 HE2 LYS A 119 39.593 33.993 38.714 0.00 0.00 H new ATOM 0 HE3 LYS A 119 38.096 33.556 38.750 0.00 0.00 H new ATOM 0 HZ1 LYS A 119 38.641 34.626 40.671 0.00 0.00 H new ATOM 0 HZ2 LYS A 119 38.293 33.254 40.999 0.00 0.00 H new ATOM 0 HZ3 LYS A 119 39.687 33.662 40.966 0.00 0.00 H new ATOM 912 N GLU A 120 38.378 28.575 35.256 1.00 13.27 N ATOM 913 CA GLU A 120 38.860 27.268 35.176 1.00 11.08 C ATOM 914 C GLU A 120 39.369 26.957 33.793 1.00 13.51 C ATOM 915 O GLU A 120 40.407 26.401 33.692 1.00 19.52 O ATOM 916 CB GLU A 120 37.784 26.107 35.681 1.00 12.94 C ATOM 917 CG GLU A 120 37.448 26.319 37.160 1.00 32.58 C ATOM 918 CD GLU A 120 36.399 25.139 37.624 1.00 41.10 C ATOM 919 OE1 GLU A 120 35.998 25.110 38.817 1.00 37.47 O ATOM 920 OE2 GLU A 120 36.274 24.053 36.972 1.00 33.30 O ATOM 0 H GLU A 120 37.521 28.634 35.292 1.00 13.27 H new ATOM 0 HA GLU A 120 39.599 27.233 35.804 1.00 11.08 H new ATOM 0 HB2 GLU A 120 36.975 26.150 35.148 1.00 12.94 H new ATOM 0 HB3 GLU A 120 38.163 25.224 35.550 1.00 12.94 H new ATOM 0 HG2 GLU A 120 38.254 26.285 37.698 1.00 32.58 H new ATOM 0 HG3 GLU A 120 37.053 27.195 37.295 1.00 32.58 H new ATOM 921 N VAL A 121 38.724 27.394 32.776 1.00 11.25 N ATOM 922 CA VAL A 121 39.138 27.208 31.390 1.00 8.45 C ATOM 923 C VAL A 121 40.564 27.936 31.090 1.00 14.44 C ATOM 924 O VAL A 121 41.376 27.322 30.469 1.00 15.76 O ATOM 925 CB VAL A 121 38.102 27.643 30.395 1.00 10.55 C ATOM 926 CG1 VAL A 121 38.631 27.772 28.948 1.00 10.06 C ATOM 927 CG2 VAL A 121 36.728 26.695 30.458 1.00 9.93 C ATOM 0 H VAL A 121 37.989 27.835 32.851 1.00 11.25 H new ATOM 0 HA VAL A 121 39.247 26.251 31.276 1.00 8.45 H new ATOM 0 HB VAL A 121 37.858 28.541 30.668 1.00 10.55 H new ATOM 0 HG11 VAL A 121 37.910 28.055 28.364 1.00 10.06 H new ATOM 0 HG12 VAL A 121 39.345 28.428 28.922 1.00 10.06 H new ATOM 0 HG13 VAL A 121 38.970 26.914 28.650 1.00 10.06 H new ATOM 0 HG21 VAL A 121 36.087 27.010 29.801 1.00 9.93 H new ATOM 0 HG22 VAL A 121 36.961 25.773 30.266 1.00 9.93 H new ATOM 0 HG23 VAL A 121 36.336 26.751 31.344 1.00 9.93 H new ATOM 928 N VAL A 122 40.869 29.203 31.484 1.00 10.43 N ATOM 929 CA VAL A 122 42.159 30.012 31.072 1.00 5.90 C ATOM 930 C VAL A 122 43.336 29.897 32.004 1.00 14.77 C ATOM 931 O VAL A 122 44.527 30.217 31.583 1.00 16.16 O ATOM 932 CB VAL A 122 42.022 31.506 30.862 1.00 7.63 C ATOM 933 CG1 VAL A 122 40.940 31.645 29.795 1.00 9.33 C ATOM 934 CG2 VAL A 122 41.727 32.196 32.179 1.00 7.20 C ATOM 0 H VAL A 122 40.352 29.653 32.003 1.00 10.43 H new ATOM 0 HA VAL A 122 42.303 29.559 30.226 1.00 5.90 H new ATOM 0 HB VAL A 122 42.831 31.944 30.555 1.00 7.63 H new ATOM 0 HG11 VAL A 122 40.793 32.584 29.603 1.00 9.33 H new ATOM 0 HG12 VAL A 122 41.223 31.191 28.986 1.00 9.33 H new ATOM 0 HG13 VAL A 122 40.115 31.248 30.117 1.00 9.33 H new ATOM 0 HG21 VAL A 122 41.642 33.151 32.032 1.00 7.20 H new ATOM 0 HG22 VAL A 122 40.899 31.850 32.547 1.00 7.20 H new ATOM 0 HG23 VAL A 122 42.452 32.029 32.802 1.00 7.20 H new ATOM 935 N GLY A 123 42.991 29.350 33.177 1.00 14.98 N ATOM 936 CA GLY A 123 43.984 29.158 34.204 1.00 12.49 C ATOM 937 C GLY A 123 44.973 30.446 34.500 1.00 17.32 C ATOM 938 O GLY A 123 44.536 31.490 34.895 1.00 16.77 O ATOM 0 H GLY A 123 42.197 29.091 33.383 1.00 14.98 H new ATOM 0 HA2 GLY A 123 43.530 28.924 35.029 1.00 12.49 H new ATOM 0 HA3 GLY A 123 44.535 28.399 33.959 1.00 12.49 H new ATOM 939 N ALA A 124 46.261 30.344 34.361 1.00 21.54 N ATOM 940 CA ALA A 124 47.364 31.439 34.710 1.00 17.91 C ATOM 941 C ALA A 124 47.387 32.706 33.866 1.00 14.27 C ATOM 942 O ALA A 124 48.044 33.800 34.283 1.00 17.15 O ATOM 943 CB ALA A 124 48.759 30.980 34.614 1.00 16.95 C ATOM 0 H ALA A 124 46.616 29.625 34.049 1.00 21.54 H new ATOM 0 HA ALA A 124 47.071 31.620 35.617 1.00 17.91 H new ATOM 0 HB1 ALA A 124 49.356 31.709 34.843 1.00 16.95 H new ATOM 0 HB2 ALA A 124 48.900 30.242 35.228 1.00 16.95 H new ATOM 0 HB3 ALA A 124 48.941 30.685 33.708 1.00 16.95 H new ATOM 944 N LYS A 125 46.644 32.573 32.768 1.00 12.00 N ATOM 945 CA LYS A 125 46.550 33.750 31.914 1.00 15.08 C ATOM 946 C LYS A 125 45.524 34.601 32.429 1.00 17.59 C ATOM 947 O LYS A 125 45.207 35.547 31.734 1.00 14.92 O ATOM 948 CB LYS A 125 46.200 33.339 30.455 1.00 16.66 C ATOM 949 CG LYS A 125 47.223 32.507 29.848 1.00 30.32 C ATOM 950 CD LYS A 125 47.024 32.300 28.330 1.00 28.71 C ATOM 951 CE LYS A 125 45.606 31.554 27.960 1.00 32.23 C ATOM 952 NZ LYS A 125 45.389 30.154 28.466 1.00 31.10 N ATOM 0 H LYS A 125 46.218 31.870 32.515 1.00 12.00 H new ATOM 0 HA LYS A 125 47.403 34.212 31.906 1.00 15.08 H new ATOM 0 HB2 LYS A 125 45.356 32.862 30.451 1.00 16.66 H new ATOM 0 HB3 LYS A 125 46.077 34.138 29.918 1.00 16.66 H new ATOM 0 HG2 LYS A 125 48.092 32.910 30.002 1.00 30.32 H new ATOM 0 HG3 LYS A 125 47.230 31.642 30.287 1.00 30.32 H new ATOM 0 HD2 LYS A 125 47.056 33.161 27.885 1.00 28.71 H new ATOM 0 HD3 LYS A 125 47.760 31.774 27.982 1.00 28.71 H new ATOM 0 HE2 LYS A 125 44.883 32.107 28.297 1.00 32.23 H new ATOM 0 HE3 LYS A 125 45.523 31.536 26.994 1.00 32.23 H new ATOM 0 HZ1 LYS A 125 44.518 30.009 28.573 1.00 31.10 H new ATOM 0 HZ2 LYS A 125 45.717 29.572 27.878 1.00 31.10 H new ATOM 0 HZ3 LYS A 125 45.804 30.053 29.247 1.00 31.10 H new ATOM 953 N TRP A 126 44.930 34.213 33.562 1.00 14.63 N ATOM 954 CA TRP A 126 43.848 34.917 34.054 1.00 15.27 C ATOM 955 C TRP A 126 44.388 36.365 34.483 1.00 16.58 C ATOM 956 O TRP A 126 45.504 36.609 35.079 1.00 14.81 O ATOM 957 CB TRP A 126 43.093 34.112 35.218 1.00 14.06 C ATOM 958 CG TRP A 126 41.775 34.638 35.584 1.00 26.41 C ATOM 959 CD1 TRP A 126 40.567 34.416 34.970 1.00 25.25 C ATOM 960 CD2 TRP A 126 41.619 35.503 36.647 1.00 25.00 C ATOM 961 NE1 TRP A 126 39.655 35.117 35.644 1.00 28.74 N ATOM 962 CE2 TRP A 126 40.273 35.742 36.623 1.00 23.56 C ATOM 963 CE3 TRP A 126 42.536 36.093 37.590 1.00 28.62 C ATOM 964 CZ2 TRP A 126 39.778 36.568 37.545 1.00 33.38 C ATOM 965 CZ3 TRP A 126 42.042 36.939 38.509 1.00 39.33 C ATOM 966 CH2 TRP A 126 40.703 37.167 38.489 1.00 36.63 C ATOM 0 H TRP A 126 45.170 33.535 34.034 1.00 14.63 H new ATOM 0 HA TRP A 126 43.160 35.032 33.379 1.00 15.27 H new ATOM 0 HB2 TRP A 126 42.991 33.188 34.940 1.00 14.06 H new ATOM 0 HB3 TRP A 126 43.656 34.110 36.008 1.00 14.06 H new ATOM 0 HD1 TRP A 126 40.414 33.879 34.226 1.00 25.25 H new ATOM 0 HE1 TRP A 126 38.814 35.154 35.470 1.00 28.74 H new ATOM 0 HE3 TRP A 126 43.444 35.894 37.563 1.00 28.62 H new ATOM 0 HZ2 TRP A 126 38.868 36.755 37.582 1.00 33.38 H new ATOM 0 HZ3 TRP A 126 42.594 37.352 39.133 1.00 39.33 H new ATOM 0 HH2 TRP A 126 40.354 37.748 39.126 1.00 36.63 H new ATOM 967 N SER A 127 43.669 37.311 34.144 1.00 12.61 N ATOM 968 CA SER A 127 44.043 38.722 34.588 1.00 11.45 C ATOM 969 C SER A 127 42.825 39.366 35.008 1.00 16.51 C ATOM 970 O SER A 127 41.657 38.830 34.663 1.00 12.20 O ATOM 971 CB SER A 127 44.795 39.604 33.481 1.00 6.93 C ATOM 972 OG SER A 127 43.845 39.817 32.466 1.00 12.82 O ATOM 0 H SER A 127 42.956 37.247 33.667 1.00 12.61 H new ATOM 0 HA SER A 127 44.690 38.646 35.307 1.00 11.45 H new ATOM 0 HB2 SER A 127 45.103 40.445 33.854 1.00 6.93 H new ATOM 0 HB3 SER A 127 45.576 39.143 33.138 1.00 6.93 H new ATOM 0 HG SER A 127 43.908 39.208 31.891 1.00 12.82 H new ATOM 973 N GLU A 128 43.092 40.493 35.698 1.00 15.91 N ATOM 974 CA GLU A 128 42.021 41.247 36.124 1.00 11.98 C ATOM 975 C GLU A 128 41.323 41.787 34.939 1.00 6.50 C ATOM 976 O GLU A 128 40.083 41.852 34.997 1.00 15.74 O ATOM 977 CB GLU A 128 42.581 42.452 37.026 1.00 16.44 C ATOM 978 CG GLU A 128 43.058 41.971 38.381 1.00 47.30 C ATOM 979 CD GLU A 128 43.509 43.200 39.266 0.00 0.00 C ATOM 980 OE1 GLU A 128 44.495 43.197 40.044 0.00 0.00 O ATOM 981 OE2 GLU A 128 42.709 44.031 39.471 0.00 0.00 O ATOM 0 H GLU A 128 43.873 40.790 35.900 1.00 15.91 H new ATOM 0 HA GLU A 128 41.403 40.710 36.644 1.00 11.98 H new ATOM 0 HB2 GLU A 128 43.313 42.889 36.563 1.00 16.44 H new ATOM 0 HB3 GLU A 128 41.884 43.116 37.146 1.00 16.44 H new ATOM 0 HG2 GLU A 128 42.347 41.485 38.828 1.00 47.30 H new ATOM 0 HG3 GLU A 128 43.798 41.354 38.271 1.00 47.30 H new ATOM 982 N GLU A 129 42.123 42.203 33.938 1.00 7.07 N ATOM 983 CA GLU A 129 41.635 42.746 32.709 1.00 9.50 C ATOM 984 C GLU A 129 40.620 41.681 32.004 1.00 11.25 C ATOM 985 O GLU A 129 39.605 42.006 31.425 1.00 13.53 O ATOM 986 CB GLU A 129 42.850 43.154 31.771 1.00 13.66 C ATOM 987 CG GLU A 129 42.468 43.857 30.488 1.00 28.81 C ATOM 988 CD GLU A 129 42.499 45.360 30.758 1.00 40.68 C ATOM 989 OE1 GLU A 129 43.338 46.198 30.131 1.00 36.91 O ATOM 990 OE2 GLU A 129 41.857 45.753 31.729 1.00 38.85 O ATOM 0 H GLU A 129 42.981 42.166 33.979 1.00 7.07 H new ATOM 0 HA GLU A 129 41.129 43.556 32.879 1.00 9.50 H new ATOM 0 HB2 GLU A 129 43.447 43.730 32.273 1.00 13.66 H new ATOM 0 HB3 GLU A 129 43.350 42.353 31.547 1.00 13.66 H new ATOM 0 HG2 GLU A 129 43.085 43.626 29.776 1.00 28.81 H new ATOM 0 HG3 GLU A 129 41.584 43.581 30.198 1.00 28.81 H new ATOM 991 N LEU A 130 40.907 40.447 32.061 1.00 18.36 N ATOM 992 CA LEU A 130 40.031 39.301 31.443 1.00 16.85 C ATOM 993 C LEU A 130 38.695 39.007 32.198 1.00 8.01 C ATOM 994 O LEU A 130 37.592 38.809 31.581 1.00 14.72 O ATOM 995 CB LEU A 130 40.756 38.047 31.479 1.00 15.69 C ATOM 996 CG LEU A 130 39.915 36.757 30.891 1.00 14.65 C ATOM 997 CD1 LEU A 130 39.606 36.911 29.395 1.00 18.69 C ATOM 998 CD2 LEU A 130 40.601 35.507 31.153 1.00 20.83 C ATOM 0 H LEU A 130 41.616 40.156 32.451 1.00 18.36 H new ATOM 0 HA LEU A 130 39.829 39.621 30.550 1.00 16.85 H new ATOM 0 HB2 LEU A 130 41.575 38.145 30.969 1.00 15.69 H new ATOM 0 HB3 LEU A 130 41.013 37.861 32.396 1.00 15.69 H new ATOM 0 HG LEU A 130 39.068 36.735 31.364 1.00 14.65 H new ATOM 0 HD11 LEU A 130 39.112 36.136 29.085 1.00 18.69 H new ATOM 0 HD12 LEU A 130 39.074 37.710 29.255 1.00 18.69 H new ATOM 0 HD13 LEU A 130 40.436 36.984 28.899 1.00 18.69 H new ATOM 0 HD21 LEU A 130 40.081 34.771 30.795 1.00 20.83 H new ATOM 0 HD22 LEU A 130 41.474 35.522 30.730 1.00 20.83 H new ATOM 0 HD23 LEU A 130 40.708 35.391 32.110 1.00 20.83 H new ATOM 999 N ASN A 131 38.818 39.055 33.502 1.00 11.29 N ATOM 1000 CA ASN A 131 37.657 38.821 34.396 1.00 6.65 C ATOM 1001 C ASN A 131 36.743 39.878 34.180 1.00 9.85 C ATOM 1002 O ASN A 131 35.490 39.525 34.047 1.00 15.84 O ATOM 1003 CB ASN A 131 38.155 38.944 35.848 1.00 10.42 C ATOM 1004 CG ASN A 131 36.926 38.639 36.763 1.00 22.14 C ATOM 1005 OD1 ASN A 131 36.583 39.551 37.487 1.00 24.93 O ATOM 1006 ND2 ASN A 131 36.305 37.382 36.731 1.00 18.47 N ATOM 0 H ASN A 131 39.556 39.220 33.911 1.00 11.29 H new ATOM 0 HA ASN A 131 37.253 37.955 34.231 1.00 6.65 H new ATOM 0 HB2 ASN A 131 38.877 38.320 36.020 1.00 10.42 H new ATOM 0 HB3 ASN A 131 38.502 39.833 36.020 1.00 10.42 H new ATOM 0 HD21 ASN A 131 35.636 37.220 37.247 1.00 18.47 H new ATOM 0 HD22 ASN A 131 36.593 36.774 36.196 1.00 18.47 H new ATOM 1007 N SER A 132 37.387 41.124 34.078 1.00 8.68 N ATOM 1008 CA SER A 132 36.662 42.267 33.849 1.00 3.00 C ATOM 1009 C SER A 132 35.969 42.194 32.494 1.00 5.79 C ATOM 1010 O SER A 132 34.800 42.495 32.396 1.00 13.94 O ATOM 1011 CB SER A 132 37.596 43.636 33.982 1.00 3.00 C ATOM 1012 OG ASER A 132 38.414 43.923 32.808 0.33 15.56 O ATOM 1013 OG BSER A 132 38.234 43.713 35.265 0.33 5.72 O ATOM 1014 OG CSER A 132 37.059 44.625 33.192 0.33 13.15 O ATOM 0 H SER A 132 38.236 41.241 34.150 1.00 8.68 H new ATOM 0 HA SER A 132 35.981 42.328 34.537 1.00 3.00 H new ATOM 0 HB2ASER A 132 37.016 44.395 34.152 0.33 3.00 H new ATOM 0 HB2BSER A 132 38.269 43.639 33.284 0.33 3.00 H new ATOM 0 HB2CSER A 132 37.632 43.928 34.906 0.33 3.00 H new ATOM 0 HB3ASER A 132 38.177 43.544 34.753 0.33 3.00 H new ATOM 0 HB3BSER A 132 37.043 44.421 33.846 0.33 3.00 H new ATOM 0 HB3CSER A 132 38.507 43.447 33.709 0.33 3.00 H new ATOM 0 HG ASER A 132 38.578 43.208 32.399 0.33 13.15 H new ATOM 0 HG BSER A 132 38.958 43.287 35.244 0.33 13.15 H new ATOM 0 HG CSER A 132 37.526 45.320 33.256 0.33 13.15 H new ATOM 1015 N ALA A 133 36.635 41.727 31.509 1.00 13.54 N ATOM 1016 CA ALA A 133 36.068 41.587 30.152 1.00 15.95 C ATOM 1017 C ALA A 133 34.786 40.541 30.043 1.00 13.86 C ATOM 1018 O ALA A 133 33.740 40.873 29.523 1.00 14.57 O ATOM 1019 CB ALA A 133 37.130 41.272 29.137 1.00 10.96 C ATOM 0 H ALA A 133 37.452 41.466 31.573 1.00 13.54 H new ATOM 0 HA ALA A 133 35.697 42.459 29.945 1.00 15.95 H new ATOM 0 HB1 ALA A 133 36.725 41.187 28.260 1.00 10.96 H new ATOM 0 HB2 ALA A 133 37.786 41.987 29.122 1.00 10.96 H new ATOM 0 HB3 ALA A 133 37.566 40.439 29.373 1.00 10.96 H new ATOM 1020 N TRP A 134 34.830 39.357 30.612 1.00 12.03 N ATOM 1021 CA TRP A 134 33.628 38.302 30.662 1.00 11.16 C ATOM 1022 C TRP A 134 32.513 38.713 31.545 1.00 17.54 C ATOM 1023 O TRP A 134 31.295 38.303 31.263 1.00 14.48 O ATOM 1024 CB TRP A 134 33.973 36.937 31.166 1.00 7.87 C ATOM 1025 CG TRP A 134 34.585 36.114 30.082 1.00 12.42 C ATOM 1026 CD1 TRP A 134 35.897 36.096 29.788 1.00 9.41 C ATOM 1027 CD2 TRP A 134 33.857 35.174 29.210 1.00 11.90 C ATOM 1028 NE1 TRP A 134 35.994 35.173 28.741 1.00 9.37 N ATOM 1029 CE2 TRP A 134 34.801 34.641 28.406 1.00 9.88 C ATOM 1030 CE3 TRP A 134 32.478 34.754 29.067 1.00 18.41 C ATOM 1031 CZ2 TRP A 134 34.415 33.686 27.421 1.00 10.27 C ATOM 1032 CZ3 TRP A 134 32.088 33.785 28.078 1.00 9.34 C ATOM 1033 CH2 TRP A 134 33.029 33.274 27.275 1.00 12.69 C ATOM 0 H TRP A 134 35.537 39.069 31.007 1.00 12.03 H new ATOM 0 HA TRP A 134 33.390 38.277 29.722 1.00 11.16 H new ATOM 0 HB2 TRP A 134 34.590 37.009 31.911 1.00 7.87 H new ATOM 0 HB3 TRP A 134 33.174 36.499 31.500 1.00 7.87 H new ATOM 0 HD1 TRP A 134 36.581 36.584 30.188 1.00 9.41 H new ATOM 0 HE1 TRP A 134 36.734 34.967 28.353 1.00 9.37 H new ATOM 0 HE3 TRP A 134 31.831 35.119 29.627 1.00 18.41 H new ATOM 0 HZ2 TRP A 134 35.062 33.320 26.862 1.00 10.27 H new ATOM 0 HZ3 TRP A 134 31.200 33.519 27.998 1.00 9.34 H new ATOM 0 HH2 TRP A 134 32.795 32.654 26.622 1.00 12.69 H new ATOM 1034 N THR A 135 32.910 39.519 32.563 1.00 14.51 N ATOM 1035 CA THR A 135 31.918 39.982 33.474 1.00 9.65 C ATOM 1036 C THR A 135 31.088 40.942 32.791 1.00 6.78 C ATOM 1037 O THR A 135 29.823 40.756 32.911 1.00 9.72 O ATOM 1038 CB THR A 135 32.617 40.650 34.739 1.00 12.70 C ATOM 1039 OG1 THR A 135 33.129 39.646 35.536 1.00 10.06 O ATOM 1040 CG2 THR A 135 31.668 41.363 35.604 1.00 17.06 C ATOM 0 H THR A 135 33.715 39.781 32.713 1.00 14.51 H new ATOM 0 HA THR A 135 31.373 39.242 33.785 1.00 9.65 H new ATOM 0 HB THR A 135 33.282 41.266 34.393 1.00 12.70 H new ATOM 0 HG1 THR A 135 33.885 39.419 35.250 1.00 10.06 H new ATOM 0 HG21 THR A 135 32.143 41.750 36.356 1.00 17.06 H new ATOM 0 HG22 THR A 135 31.236 42.069 35.098 1.00 17.06 H new ATOM 0 HG23 THR A 135 30.998 40.742 35.930 1.00 17.06 H new ATOM 1041 N ILE A 136 31.775 41.905 32.064 1.00 5.95 N ATOM 1042 CA ILE A 136 31.099 42.883 31.351 1.00 4.88 C ATOM 1043 C ILE A 136 30.190 42.192 30.255 1.00 7.45 C ATOM 1044 O ILE A 136 29.011 42.452 30.124 1.00 17.43 O ATOM 1045 CB ILE A 136 32.154 43.995 30.721 1.00 10.81 C ATOM 1046 CG1 ILE A 136 33.059 44.794 31.786 1.00 21.61 C ATOM 1047 CG2 ILE A 136 31.507 44.961 29.811 1.00 16.42 C ATOM 1048 CD1 ILE A 136 34.255 45.728 31.139 1.00 23.54 C ATOM 0 H ILE A 136 32.632 41.952 32.013 1.00 5.95 H new ATOM 0 HA ILE A 136 30.516 43.383 31.943 1.00 4.88 H new ATOM 0 HB ILE A 136 32.760 43.428 30.218 1.00 10.81 H new ATOM 0 HG12 ILE A 136 32.480 45.361 32.319 1.00 21.61 H new ATOM 0 HG13 ILE A 136 33.462 44.152 32.391 1.00 21.61 H new ATOM 0 HG21 ILE A 136 32.170 45.584 29.475 1.00 16.42 H new ATOM 0 HG22 ILE A 136 31.104 44.486 29.067 1.00 16.42 H new ATOM 0 HG23 ILE A 136 30.820 45.449 30.292 1.00 16.42 H new ATOM 0 HD11 ILE A 136 34.744 46.168 31.852 1.00 23.54 H new ATOM 0 HD12 ILE A 136 34.862 45.169 30.628 1.00 23.54 H new ATOM 0 HD13 ILE A 136 33.864 46.397 30.556 1.00 23.54 H new ATOM 1049 N ALA A 137 30.701 41.298 29.540 1.00 10.26 N ATOM 1050 CA ALA A 137 29.914 40.583 28.443 1.00 10.84 C ATOM 1051 C ALA A 137 28.624 39.705 28.937 1.00 14.48 C ATOM 1052 O ALA A 137 27.535 39.682 28.302 1.00 12.30 O ATOM 1053 CB ALA A 137 30.772 39.708 27.644 1.00 7.49 C ATOM 0 H ALA A 137 31.515 41.032 29.619 1.00 10.26 H new ATOM 0 HA ALA A 137 29.567 41.321 27.918 1.00 10.84 H new ATOM 0 HB1 ALA A 137 30.241 39.271 26.959 1.00 7.49 H new ATOM 0 HB2 ALA A 137 31.470 40.234 27.225 1.00 7.49 H new ATOM 0 HB3 ALA A 137 31.174 39.037 28.218 1.00 7.49 H new ATOM 1054 N TYR A 138 28.738 39.084 30.089 1.00 9.36 N ATOM 1055 CA TYR A 138 27.555 38.280 30.721 1.00 5.61 C ATOM 1056 C TYR A 138 26.550 39.185 31.173 1.00 11.69 C ATOM 1057 O TYR A 138 25.336 38.902 30.819 1.00 16.69 O ATOM 1058 CB TYR A 138 27.940 37.459 31.929 1.00 6.80 C ATOM 1059 CG TYR A 138 26.703 36.485 32.463 1.00 13.60 C ATOM 1060 CD1 TYR A 138 25.884 36.913 33.432 1.00 11.97 C ATOM 1061 CD2 TYR A 138 26.404 35.189 31.960 1.00 10.08 C ATOM 1062 CE1 TYR A 138 24.765 36.049 33.903 1.00 8.86 C ATOM 1063 CE2 TYR A 138 25.287 34.311 32.434 1.00 7.87 C ATOM 1064 CZ TYR A 138 24.473 34.747 33.407 1.00 4.55 C ATOM 1065 OH TYR A 138 23.343 33.844 33.929 1.00 8.47 O ATOM 0 H TYR A 138 29.458 39.080 30.560 1.00 9.36 H new ATOM 0 HA TYR A 138 27.253 37.683 30.019 1.00 5.61 H new ATOM 0 HB2 TYR A 138 28.708 36.909 31.710 1.00 6.80 H new ATOM 0 HB3 TYR A 138 28.212 38.053 32.646 1.00 6.80 H new ATOM 0 HD1 TYR A 138 26.014 37.752 33.812 1.00 11.97 H new ATOM 0 HD2 TYR A 138 26.947 34.859 31.281 1.00 10.08 H new ATOM 0 HE1 TYR A 138 24.215 36.386 34.573 1.00 8.86 H new ATOM 0 HE2 TYR A 138 25.159 33.471 32.057 1.00 7.87 H new ATOM 0 HH TYR A 138 23.274 33.934 34.761 1.00 8.47 H new ATOM 1066 N ASP A 139 27.045 40.206 31.956 1.00 10.91 N ATOM 1067 CA ASP A 139 26.185 41.145 32.491 1.00 8.38 C ATOM 1068 C ASP A 139 25.399 41.766 31.414 1.00 7.12 C ATOM 1069 O ASP A 139 24.169 41.828 31.594 1.00 11.35 O ATOM 1070 CB ASP A 139 27.039 42.309 33.253 1.00 4.88 C ATOM 1071 CG ASP A 139 27.310 41.810 34.649 1.00 15.40 C ATOM 1072 OD1 ASP A 139 26.782 40.642 35.001 1.00 17.03 O ATOM 1073 OD2 ASP A 139 28.272 42.429 35.318 1.00 15.34 O ATOM 0 H ASP A 139 27.875 40.317 32.150 1.00 10.91 H new ATOM 0 HA ASP A 139 25.594 40.705 33.122 1.00 8.38 H new ATOM 0 HB2 ASP A 139 27.869 42.488 32.785 1.00 4.88 H new ATOM 0 HB3 ASP A 139 26.541 43.141 33.276 1.00 4.88 H new ATOM 1074 N GLU A 140 26.079 42.201 30.337 1.00 5.75 N ATOM 1075 CA GLU A 140 25.423 42.837 29.246 1.00 11.81 C ATOM 1076 C GLU A 140 24.379 41.844 28.496 1.00 12.96 C ATOM 1077 O GLU A 140 23.262 42.180 28.182 1.00 10.94 O ATOM 1078 CB GLU A 140 26.469 43.567 28.256 1.00 7.43 C ATOM 1079 CG GLU A 140 27.428 44.736 28.926 1.00 12.73 C ATOM 1080 CD GLU A 140 26.623 45.788 29.484 1.00 26.76 C ATOM 1081 OE1 GLU A 140 25.596 46.047 28.874 1.00 16.41 O ATOM 1082 OE2 GLU A 140 27.166 46.628 30.332 1.00 22.49 O ATOM 0 H GLU A 140 26.930 42.124 30.243 1.00 5.75 H new ATOM 0 HA GLU A 140 24.875 43.550 29.609 1.00 11.81 H new ATOM 0 HB2 GLU A 140 27.044 42.889 27.868 1.00 7.43 H new ATOM 0 HB3 GLU A 140 25.969 43.966 27.527 1.00 7.43 H new ATOM 0 HG2 GLU A 140 27.986 44.347 29.617 1.00 12.73 H new ATOM 0 HG3 GLU A 140 28.023 45.100 28.252 1.00 12.73 H new ATOM 1083 N LEU A 141 24.704 40.639 28.295 1.00 8.03 N ATOM 1084 CA LEU A 141 23.742 39.581 27.650 1.00 5.42 C ATOM 1085 C LEU A 141 22.522 39.136 28.555 1.00 12.48 C ATOM 1086 O LEU A 141 21.345 38.941 28.078 1.00 14.61 O ATOM 1087 CB LEU A 141 24.452 38.368 27.269 1.00 8.23 C ATOM 1088 CG LEU A 141 23.550 37.253 26.461 1.00 7.25 C ATOM 1089 CD1 LEU A 141 22.989 37.810 25.176 1.00 7.68 C ATOM 1090 CD2 LEU A 141 24.315 36.076 26.127 1.00 4.91 C ATOM 0 H LEU A 141 25.476 40.321 28.500 1.00 8.03 H new ATOM 0 HA LEU A 141 23.389 40.051 26.879 1.00 5.42 H new ATOM 0 HB2 LEU A 141 25.209 38.614 26.715 1.00 8.23 H new ATOM 0 HB3 LEU A 141 24.810 37.955 28.070 1.00 8.23 H new ATOM 0 HG LEU A 141 22.829 37.017 27.066 1.00 7.25 H new ATOM 0 HD11 LEU A 141 22.465 37.127 24.729 1.00 7.68 H new ATOM 0 HD12 LEU A 141 22.424 38.573 25.373 1.00 7.68 H new ATOM 0 HD13 LEU A 141 23.717 38.088 24.599 1.00 7.68 H new ATOM 0 HD21 LEU A 141 23.750 35.446 25.654 1.00 4.91 H new ATOM 0 HD22 LEU A 141 25.063 36.326 25.563 1.00 4.91 H new ATOM 0 HD23 LEU A 141 24.647 35.664 26.940 1.00 4.91 H new ATOM 1091 N ALA A 142 22.790 39.106 29.843 1.00 11.23 N ATOM 1092 CA ALA A 142 21.717 38.695 30.829 1.00 8.67 C ATOM 1093 C ALA A 142 20.728 39.704 30.926 1.00 12.65 C ATOM 1094 O ALA A 142 19.483 39.276 31.017 1.00 14.60 O ATOM 1095 CB ALA A 142 22.310 38.488 32.222 1.00 5.44 C ATOM 0 H ALA A 142 23.550 39.307 30.191 1.00 11.23 H new ATOM 0 HA ALA A 142 21.328 37.867 30.508 1.00 8.67 H new ATOM 0 HB1 ALA A 142 21.607 38.226 32.837 1.00 5.44 H new ATOM 0 HB2 ALA A 142 22.985 37.792 32.187 1.00 5.44 H new ATOM 0 HB3 ALA A 142 22.715 39.315 32.528 1.00 5.44 H new ATOM 1096 N ILE A 143 21.255 40.991 30.808 1.00 11.67 N ATOM 1097 CA ILE A 143 20.392 42.059 30.808 1.00 10.16 C ATOM 1098 C ILE A 143 19.368 41.867 29.666 1.00 12.43 C ATOM 1099 O ILE A 143 18.151 41.975 29.885 1.00 12.19 O ATOM 1100 CB ILE A 143 21.262 43.477 30.703 1.00 6.58 C ATOM 1101 CG1 ILE A 143 22.097 43.844 31.973 1.00 11.59 C ATOM 1102 CG2 ILE A 143 20.423 44.602 30.387 1.00 16.46 C ATOM 1103 CD1 ILE A 143 23.048 45.203 31.799 1.00 17.45 C ATOM 0 H ILE A 143 22.090 41.184 30.733 1.00 11.67 H new ATOM 0 HA ILE A 143 19.888 42.112 31.635 1.00 10.16 H new ATOM 0 HB ILE A 143 21.888 43.295 29.985 1.00 6.58 H new ATOM 0 HG12 ILE A 143 21.491 43.979 32.718 1.00 11.59 H new ATOM 0 HG13 ILE A 143 22.665 43.092 32.203 1.00 11.59 H new ATOM 0 HG21 ILE A 143 20.964 45.405 30.335 1.00 16.46 H new ATOM 0 HG22 ILE A 143 19.987 44.451 29.534 1.00 16.46 H new ATOM 0 HG23 ILE A 143 19.752 44.710 31.079 1.00 16.46 H new ATOM 0 HD11 ILE A 143 23.533 45.366 32.623 1.00 17.45 H new ATOM 0 HD12 ILE A 143 23.678 45.066 31.075 1.00 17.45 H new ATOM 0 HD13 ILE A 143 22.486 45.968 31.598 1.00 17.45 H new ATOM 1104 N VAL A 144 19.844 41.492 28.518 1.00 13.95 N ATOM 1105 CA VAL A 144 18.993 41.245 27.321 1.00 18.33 C ATOM 1106 C VAL A 144 17.915 39.997 27.470 1.00 18.94 C ATOM 1107 O VAL A 144 16.697 40.075 27.232 1.00 18.86 O ATOM 1108 CB VAL A 144 19.853 41.119 26.053 1.00 17.22 C ATOM 1109 CG1 VAL A 144 18.963 40.704 24.815 1.00 20.58 C ATOM 1110 CG2 VAL A 144 20.838 42.434 25.774 1.00 18.02 C ATOM 0 H VAL A 144 20.682 41.363 28.377 1.00 13.95 H new ATOM 0 HA VAL A 144 18.430 42.031 27.240 1.00 18.33 H new ATOM 0 HB VAL A 144 20.484 40.397 26.203 1.00 17.22 H new ATOM 0 HG11 VAL A 144 19.521 40.629 24.025 1.00 20.58 H new ATOM 0 HG12 VAL A 144 18.539 39.850 24.993 1.00 20.58 H new ATOM 0 HG13 VAL A 144 18.281 41.378 24.666 1.00 20.58 H new ATOM 0 HG21 VAL A 144 21.350 42.289 24.963 1.00 18.02 H new ATOM 0 HG22 VAL A 144 20.294 43.231 25.674 1.00 18.02 H new ATOM 0 HG23 VAL A 144 21.444 42.549 26.522 1.00 18.02 H new ATOM 1111 N ILE A 145 18.333 38.905 27.925 1.00 17.37 N ATOM 1112 CA ILE A 145 17.368 37.657 28.102 1.00 15.39 C ATOM 1113 C ILE A 145 16.304 37.785 29.169 1.00 22.89 C ATOM 1114 O ILE A 145 15.077 37.390 28.911 1.00 21.76 O ATOM 1115 CB ILE A 145 18.118 36.453 28.389 1.00 20.87 C ATOM 1116 CG1 ILE A 145 18.947 36.152 27.153 1.00 13.72 C ATOM 1117 CG2 ILE A 145 17.142 35.183 28.838 1.00 13.19 C ATOM 1118 CD1 ILE A 145 19.803 35.028 27.427 1.00 16.26 C ATOM 0 H ILE A 145 19.147 38.763 28.165 1.00 17.37 H new ATOM 0 HA ILE A 145 16.912 37.615 27.247 1.00 15.39 H new ATOM 0 HB ILE A 145 18.696 36.587 29.156 1.00 20.87 H new ATOM 0 HG12 ILE A 145 18.368 35.956 26.400 1.00 13.72 H new ATOM 0 HG13 ILE A 145 19.478 36.926 26.909 1.00 13.72 H new ATOM 0 HG21 ILE A 145 17.689 34.403 29.019 1.00 13.19 H new ATOM 0 HG22 ILE A 145 16.646 35.422 29.637 1.00 13.19 H new ATOM 0 HG23 ILE A 145 16.521 34.983 28.120 1.00 13.19 H new ATOM 0 HD11 ILE A 145 20.337 34.829 26.642 1.00 16.26 H new ATOM 0 HD12 ILE A 145 20.389 35.241 28.170 1.00 16.26 H new ATOM 0 HD13 ILE A 145 19.261 34.256 27.654 1.00 16.26 H new ATOM 1119 N LYS A 146 16.743 38.447 30.259 1.00 13.76 N ATOM 1120 CA LYS A 146 15.821 38.707 31.339 1.00 14.72 C ATOM 1121 C LYS A 146 14.817 39.609 30.890 1.00 19.15 C ATOM 1122 O LYS A 146 13.635 39.416 31.354 1.00 23.25 O ATOM 1123 CB LYS A 146 16.623 39.331 32.563 1.00 17.02 C ATOM 1124 CG LYS A 146 17.134 38.217 33.394 1.00 18.94 C ATOM 1125 CD LYS A 146 18.452 38.716 34.155 1.00 18.50 C ATOM 1126 CE LYS A 146 18.374 39.965 35.021 1.00 26.25 C ATOM 1127 NZ LYS A 146 19.690 40.370 35.678 1.00 32.01 N ATOM 0 H LYS A 146 17.544 38.738 30.375 1.00 13.76 H new ATOM 0 HA LYS A 146 15.396 37.884 31.625 1.00 14.72 H new ATOM 0 HB2 LYS A 146 17.357 39.879 32.243 1.00 17.02 H new ATOM 0 HB3 LYS A 146 16.046 39.908 33.087 1.00 17.02 H new ATOM 0 HG2 LYS A 146 16.461 37.937 34.034 1.00 18.94 H new ATOM 0 HG3 LYS A 146 17.336 37.447 32.839 1.00 18.94 H new ATOM 0 HD2 LYS A 146 18.759 37.988 34.718 1.00 18.50 H new ATOM 0 HD3 LYS A 146 19.138 38.866 33.486 1.00 18.50 H new ATOM 0 HE2 LYS A 146 18.059 40.703 34.475 1.00 26.25 H new ATOM 0 HE3 LYS A 146 17.711 39.822 35.715 1.00 26.25 H new ATOM 0 HZ1 LYS A 146 19.599 41.170 36.056 1.00 32.01 H new ATOM 0 HZ2 LYS A 146 19.908 39.772 36.300 1.00 32.01 H new ATOM 0 HZ3 LYS A 146 20.331 40.405 35.062 1.00 32.01 H new ATOM 1128 N LYS A 147 15.252 40.509 29.971 1.00 16.40 N ATOM 1129 CA LYS A 147 14.341 41.382 29.428 1.00 18.25 C ATOM 1130 C LYS A 147 13.254 40.563 28.564 1.00 17.62 C ATOM 1131 O LYS A 147 12.035 40.723 28.655 1.00 22.68 O ATOM 1132 CB LYS A 147 15.134 42.538 28.591 1.00 24.78 C ATOM 1133 CG LYS A 147 14.243 43.588 28.160 1.00 37.30 C ATOM 1134 CD LYS A 147 14.987 44.665 27.206 0.00 0.00 C ATOM 1135 CE LYS A 147 15.407 44.026 25.903 0.00 0.00 C ATOM 1136 NZ LYS A 147 16.008 45.081 24.966 0.00 0.00 N ATOM 0 H LYS A 147 16.061 40.587 29.690 1.00 16.40 H new ATOM 0 HA LYS A 147 13.839 41.842 30.119 1.00 18.25 H new ATOM 0 HB2 LYS A 147 15.836 42.915 29.144 1.00 24.78 H new ATOM 0 HB3 LYS A 147 15.565 42.141 27.818 1.00 24.78 H new ATOM 0 HG2 LYS A 147 13.493 43.199 27.683 1.00 37.30 H new ATOM 0 HG3 LYS A 147 13.880 44.042 28.937 1.00 37.30 H new ATOM 0 HD2 LYS A 147 14.393 45.411 27.029 0.00 0.00 H new ATOM 0 HD3 LYS A 147 15.765 45.024 27.661 0.00 0.00 H new ATOM 0 HE2 LYS A 147 16.057 43.326 26.073 0.00 0.00 H new ATOM 0 HE3 LYS A 147 14.642 43.606 25.480 0.00 0.00 H new ATOM 0 HZ1 LYS A 147 16.252 44.695 24.202 0.00 0.00 H new ATOM 0 HZ2 LYS A 147 15.401 45.711 24.799 0.00 0.00 H new ATOM 0 HZ3 LYS A 147 16.720 45.450 25.352 0.00 0.00 H new ATOM 1137 N GLU A 148 13.684 39.657 27.798 1.00 14.41 N ATOM 1138 CA GLU A 148 12.740 38.793 26.931 1.00 13.25 C ATOM 1139 C GLU A 148 11.795 37.734 27.715 1.00 23.26 C ATOM 1140 O GLU A 148 10.653 37.268 27.247 1.00 24.22 O ATOM 1141 CB GLU A 148 13.508 38.088 25.875 1.00 12.53 C ATOM 1142 CG GLU A 148 14.414 39.114 24.988 1.00 23.05 C ATOM 1143 CD GLU A 148 13.558 40.100 24.391 1.00 32.77 C ATOM 1144 OE1 GLU A 148 12.517 39.658 23.724 1.00 35.36 O ATOM 1145 OE2 GLU A 148 14.012 41.344 24.351 1.00 37.57 O ATOM 0 H GLU A 148 14.517 39.464 27.710 1.00 14.41 H new ATOM 0 HA GLU A 148 12.122 39.438 26.554 1.00 13.25 H new ATOM 0 HB2 GLU A 148 14.082 37.422 26.284 1.00 12.53 H new ATOM 0 HB3 GLU A 148 12.894 37.614 25.292 1.00 12.53 H new ATOM 0 HG2 GLU A 148 15.079 39.543 25.549 1.00 23.05 H new ATOM 0 HG3 GLU A 148 14.894 38.627 24.300 1.00 23.05 H new ATOM 1146 N MET A 149 12.251 37.390 28.875 1.00 20.73 N ATOM 1147 CA MET A 149 11.413 36.425 29.747 1.00 19.39 C ATOM 1148 C MET A 149 10.268 37.069 30.340 1.00 19.85 C ATOM 1149 O MET A 149 9.081 36.431 30.364 1.00 23.20 O ATOM 1150 CB MET A 149 12.262 36.003 30.910 1.00 16.28 C ATOM 1151 CG MET A 149 13.207 35.016 30.460 1.00 14.52 C ATOM 1152 SD MET A 149 14.359 34.619 31.730 1.00 18.66 S ATOM 1153 CE MET A 149 13.141 34.013 33.004 1.00 16.12 C ATOM 0 H MET A 149 12.995 37.653 29.217 1.00 20.73 H new ATOM 0 HA MET A 149 11.125 35.698 29.173 1.00 19.39 H new ATOM 0 HB2 MET A 149 12.727 36.769 31.281 1.00 16.28 H new ATOM 0 HB3 MET A 149 11.706 35.638 31.617 1.00 16.28 H new ATOM 0 HG2 MET A 149 12.736 34.214 30.184 1.00 14.52 H new ATOM 0 HG3 MET A 149 13.681 35.348 29.682 1.00 14.52 H new ATOM 0 HE1 MET A 149 13.567 33.351 33.570 1.00 16.12 H new ATOM 0 HE2 MET A 149 12.843 34.759 33.548 1.00 16.12 H new ATOM 0 HE3 MET A 149 12.378 33.613 32.558 1.00 16.12 H new ATOM 1154 N ASP A 150 10.636 38.298 30.803 1.00 36.20 N ATOM 1155 CA ASP A 150 9.634 39.043 31.390 1.00 45.86 C ATOM 1156 C ASP A 150 8.578 39.294 30.364 1.00 46.53 C ATOM 1157 O ASP A 150 7.348 39.185 30.682 1.00 44.44 O ATOM 1158 CB ASP A 150 10.321 40.394 31.990 1.00 44.97 C ATOM 1159 CG ASP A 150 10.968 40.108 33.320 1.00 47.04 C ATOM 1160 OD1 ASP A 150 11.366 38.988 33.491 0.00 0.00 O ATOM 1161 OD2 ASP A 150 10.708 40.760 34.336 0.00 0.00 O ATOM 0 H ASP A 150 11.419 38.651 30.767 1.00 36.20 H new ATOM 0 HA ASP A 150 9.197 38.590 32.128 1.00 45.86 H new ATOM 0 HB2 ASP A 150 10.984 40.731 31.367 1.00 44.97 H new ATOM 0 HB3 ASP A 150 9.650 41.087 32.092 1.00 44.97 H new ATOM 1162 N ASP A 151 9.030 39.451 29.135 1.00 43.85 N ATOM 1163 CA ASP A 151 8.097 39.596 28.037 1.00 45.14 C ATOM 1164 C ASP A 151 7.351 38.243 27.535 1.00 50.09 C ATOM 1165 O ASP A 151 6.218 38.187 26.978 1.00 50.18 O ATOM 1166 CB ASP A 151 8.821 40.437 26.884 1.00 48.34 C ATOM 1167 CG ASP A 151 9.092 41.925 27.299 1.00 40.61 C ATOM 1168 OD1 ASP A 151 9.684 42.247 28.388 0.00 0.00 O ATOM 1169 OD2 ASP A 151 8.369 42.722 26.808 0.00 0.00 O ATOM 0 H ASP A 151 9.861 39.476 28.916 1.00 43.85 H new ATOM 0 HA ASP A 151 7.328 40.088 28.364 1.00 45.14 H new ATOM 0 HB2 ASP A 151 9.662 40.010 26.657 1.00 48.34 H new ATOM 0 HB3 ASP A 151 8.271 40.423 26.085 1.00 48.34 H new ATOM 1170 N ALA A 152 7.890 37.165 27.840 1.00 46.91 N ATOM 1171 CA ALA A 152 7.187 35.815 27.473 1.00 44.33 C ATOM 1172 C ALA A 152 6.118 35.284 28.503 1.00 49.43 C ATOM 1173 O ALA A 152 5.349 34.183 28.304 1.00 49.41 O ATOM 1174 CB ALA A 152 8.179 34.791 27.347 1.00 41.79 C ATOM 0 H ALA A 152 8.642 37.089 28.250 1.00 46.91 H new ATOM 0 HA ALA A 152 6.710 36.010 26.651 1.00 44.33 H new ATOM 0 HB1 ALA A 152 7.750 33.951 27.120 1.00 41.79 H new ATOM 0 HB2 ALA A 152 8.807 35.033 26.648 1.00 41.79 H new ATOM 0 HB3 ALA A 152 8.653 34.694 28.188 1.00 41.79 H new ATOM 1175 N ALA A 153 6.152 36.019 29.603 1.00 46.44 N ATOM 1176 CA ALA A 153 5.299 35.595 30.772 1.00 49.28 C ATOM 1177 C ALA A 153 3.961 36.149 30.791 1.00 45.11 C ATOM 1178 O ALA A 153 3.848 37.188 31.462 0.00 0.00 O ATOM 1179 CB ALA A 153 6.084 36.010 32.070 1.00 46.41 C ATOM 1180 OXT ALA A 153 2.944 35.533 30.189 0.00 0.00 O ATOM 0 H ALA A 153 6.623 36.729 29.718 1.00 46.44 H new ATOM 0 HA ALA A 153 5.154 34.638 30.707 1.00 49.28 H new ATOM 0 HB1 ALA A 153 5.571 35.756 32.853 1.00 46.41 H new ATOM 0 HB2 ALA A 153 6.943 35.560 32.086 1.00 46.41 H new ATOM 0 HB3 ALA A 153 6.222 36.970 32.072 1.00 46.41 H new TER 1181 ALA A 153 HETATM 1182 C ACT A 154 21.082 27.256 30.888 1.00 19.58 C HETATM 1183 O ACT A 154 20.282 27.490 29.981 1.00 16.60 O HETATM 1184 OXT ACT A 154 21.429 26.108 30.939 1.00 23.45 O HETATM 1185 CH3 ACT A 154 22.058 28.417 31.498 1.00 20.07 C HETATM 0 H3 ACT A 154 22.625 28.767 30.793 1.00 20.07 H new HETATM 0 H2 ACT A 154 21.518 29.135 31.864 1.00 20.07 H new HETATM 0 H1 ACT A 154 22.611 28.039 32.199 1.00 20.07 H new HETATM 1186 FE HEM A 155 18.730 28.610 29.767 1.00 13.38 FE HETATM 1187 CHA HEM A 155 16.877 26.154 27.771 1.00 9.18 C HETATM 1188 CHB HEM A 155 20.470 29.924 26.917 1.00 13.16 C HETATM 1189 CHC HEM A 155 20.279 31.321 31.543 1.00 8.79 C HETATM 1190 CHD HEM A 155 17.212 27.172 32.509 1.00 11.48 C HETATM 1191 NA HEM A 155 18.690 28.122 27.726 1.00 14.66 N HETATM 1192 C1A HEM A 155 17.829 27.088 27.118 1.00 7.86 C HETATM 1193 C2A HEM A 155 18.130 27.090 25.688 1.00 12.48 C HETATM 1194 C3A HEM A 155 19.161 28.115 25.459 1.00 10.78 C HETATM 1195 C4A HEM A 155 19.499 28.785 26.738 1.00 18.64 C HETATM 1196 CMA HEM A 155 19.874 28.540 24.126 1.00 12.85 C HETATM 1197 CAA HEM A 155 17.441 26.048 24.671 1.00 19.57 C HETATM 1198 CBA HEM A 155 18.455 25.119 24.224 1.00 39.88 C HETATM 1199 CGA HEM A 155 17.769 23.993 23.315 0.00 0.00 C HETATM 1200 O1A HEM A 155 16.835 24.215 22.547 0.00 0.00 O HETATM 1201 O2A HEM A 155 18.346 22.983 23.099 0.00 0.00 O HETATM 1202 NB HEM A 155 20.128 30.321 29.301 1.00 9.41 N HETATM 1203 C1B HEM A 155 20.748 30.645 28.092 1.00 12.32 C HETATM 1204 C2B HEM A 155 21.731 31.872 28.235 1.00 14.10 C HETATM 1205 C3B HEM A 155 21.648 32.304 29.518 1.00 14.07 C HETATM 1206 C4B HEM A 155 20.637 31.312 30.196 1.00 7.69 C HETATM 1207 CMB HEM A 155 22.666 32.488 27.091 1.00 8.32 C HETATM 1208 CAB HEM A 155 22.478 33.548 30.210 1.00 11.23 C HETATM 1209 CBB HEM A 155 22.945 34.680 29.543 1.00 7.79 C HETATM 1210 NC HEM A 155 18.755 29.140 31.669 1.00 7.79 N HETATM 1211 C1C HEM A 155 19.430 30.316 32.229 1.00 9.47 C HETATM 1212 C2C HEM A 155 19.153 30.297 33.664 1.00 13.33 C HETATM 1213 C3C HEM A 155 18.368 29.099 33.941 1.00 12.01 C HETATM 1214 C4C HEM A 155 18.070 28.390 32.678 1.00 10.73 C HETATM 1215 CMC HEM A 155 19.707 31.428 34.653 1.00 6.96 C HETATM 1216 CAC HEM A 155 17.847 28.553 35.318 1.00 10.66 C HETATM 1217 CBC HEM A 155 18.484 27.674 35.963 1.00 9.96 C HETATM 1218 ND HEM A 155 17.284 26.978 30.068 1.00 16.35 N HETATM 1219 C1D HEM A 155 16.823 26.533 31.311 1.00 15.12 C HETATM 1220 C2D HEM A 155 15.855 25.288 31.162 1.00 13.15 C HETATM 1221 C3D HEM A 155 15.754 25.006 29.839 1.00 11.31 C HETATM 1222 C4D HEM A 155 16.647 26.080 29.141 1.00 15.06 C HETATM 1223 CMD HEM A 155 15.133 24.460 32.325 1.00 8.26 C HETATM 1224 CAD HEM A 155 14.920 23.761 29.180 1.00 16.69 C HETATM 1225 CBD HEM A 155 15.757 22.596 29.133 1.00 16.29 C HETATM 1226 CGD HEM A 155 14.817 21.279 28.843 1.00 35.39 C HETATM 1227 O1D HEM A 155 14.086 20.728 29.775 1.00 35.47 O HETATM 1228 O2D HEM A 155 15.088 20.563 27.878 1.00 36.88 O HETATM 0 HMA1 HEM A 155 20.114 29.479 24.172 1.00 12.85 H new HETATM 0 HMA2 HEM A 155 19.273 28.397 23.378 1.00 12.85 H new HETATM 0 HMA3 HEM A 155 20.675 28.007 24.003 1.00 12.85 H new HETATM 0 HMB1 HEM A 155 22.922 31.788 26.470 1.00 8.32 H new HETATM 0 HMB2 HEM A 155 23.462 32.869 27.494 1.00 8.32 H new HETATM 0 HMB3 HEM A 155 22.182 33.181 26.615 1.00 8.32 H new HETATM 0 HMC1 HEM A 155 20.547 31.773 34.312 1.00 6.96 H new HETATM 0 HMC2 HEM A 155 19.849 31.047 35.534 1.00 6.96 H new HETATM 0 HMC3 HEM A 155 19.062 32.150 34.713 1.00 6.96 H new HETATM 0 HMD1 HEM A 155 14.293 24.105 31.996 1.00 8.26 H new HETATM 0 HMD2 HEM A 155 14.963 25.044 33.080 1.00 8.26 H new HETATM 0 HMD3 HEM A 155 15.705 23.729 32.605 1.00 8.26 H new HETATM 0 HBB1 HEM A 155 23.426 35.366 30.031 1.00 7.79 H new HETATM 0 HBB2 HEM A 155 22.788 34.781 28.591 1.00 7.79 H new HETATM 0 HBC1 HEM A 155 18.142 27.352 36.812 1.00 9.96 H new HETATM 0 HBC2 HEM A 155 19.315 27.321 35.610 1.00 9.96 H new HETATM 0 HBA1 HEM A 155 18.895 24.712 24.986 1.00 39.88 H new HETATM 0 HBA2 HEM A 155 19.138 25.587 23.719 1.00 39.88 H new HETATM 0 HAA1 HEM A 155 17.055 26.517 23.915 1.00 19.57 H new HETATM 0 HAA2 HEM A 155 16.718 25.574 25.110 1.00 19.57 H new HETATM 0 HBD1 HEM A 155 16.233 22.491 29.971 1.00 16.29 H new HETATM 0 HBD2 HEM A 155 16.426 22.691 28.437 1.00 16.29 H new HETATM 0 HAD1 HEM A 155 14.624 23.995 28.286 1.00 16.69 H new HETATM 0 HAD2 HEM A 155 14.124 23.579 29.704 1.00 16.69 H new HETATM 0 HHA HEM A 155 16.398 25.575 27.223 1.00 9.18 H new HETATM 0 HHB HEM A 155 20.943 30.181 26.158 1.00 13.16 H new HETATM 0 HHC HEM A 155 20.603 32.023 32.060 1.00 8.79 H new HETATM 0 HHD HEM A 155 16.895 26.788 33.294 1.00 11.48 H new HETATM 0 HAB HEM A 155 22.657 33.488 31.161 1.00 11.23 H new HETATM 0 HAC HEM A 155 17.017 28.899 35.681 1.00 10.66 H new HETATM 1229 O HOH A 156 25.902 15.167 29.225 1.00 10.23 O HETATM 1230 O HOH A 157 28.313 16.906 28.814 1.00 13.33 O HETATM 1231 O HOH A 158 23.405 44.977 27.409 1.00 13.27 O HETATM 1232 O HOH A 159 47.239 35.459 36.728 1.00 22.19 O HETATM 1233 O HOH A 160 24.946 36.729 21.902 1.00 21.79 O HETATM 1234 O HOH A 161 26.934 36.568 40.265 1.00 24.05 O HETATM 1235 O HOH A 162 26.436 19.421 41.848 1.00 29.25 O HETATM 1236 O HOH A 163 31.849 50.577 15.068 1.00 25.84 O HETATM 1237 O HOH A 164 29.458 39.037 17.688 1.00 21.98 O HETATM 1238 O HOH A 165 27.808 52.056 19.820 1.00 10.31 O HETATM 1239 O HOH A 166 19.348 45.425 20.229 1.00 23.52 O HETATM 1240 O HOH A 167 21.446 47.833 20.780 1.00 21.30 O HETATM 1241 O HOH A 168 21.975 47.056 23.475 1.00 24.55 O HETATM 1242 O HOH A 169 24.376 46.786 25.175 1.00 22.73 O HETATM 1243 O HOH A 170 21.698 48.398 29.340 1.00 23.64 O HETATM 1244 O HOH A 171 24.558 48.284 29.838 1.00 13.22 O HETATM 1245 O HOH A 172 25.836 48.063 32.277 1.00 17.32 O HETATM 1246 O HOH A 173 15.814 30.556 20.551 1.00 42.42 O HETATM 1247 O HOH A 174 34.233 20.155 22.001 1.00 29.97 O HETATM 1248 O HOH A 175 19.084 19.792 23.890 1.00 44.02 O HETATM 1249 O HOH A 176 30.667 38.793 40.135 1.00 26.12 O HETATM 1250 O HOH A 177 33.046 39.943 38.400 1.00 21.05 O HETATM 1251 O HOH A 178 42.490 26.303 36.106 1.00 44.72 O HETATM 1252 O HOH A 179 29.627 51.492 24.870 1.00 9.99 O HETATM 1253 O HOH A 180 23.399 39.652 17.607 1.00 31.10 O HETATM 1254 O HOH A 181 29.792 25.870 20.402 1.00 46.40 O HETATM 1255 O HOH A 182 40.902 45.358 34.739 1.00 43.60 O HETATM 1256 O HOH A 183 13.619 35.774 40.631 1.00 26.11 O HETATM 1257 O HOH A 184 22.970 41.522 34.248 1.00 25.06 O HETATM 1258 O HOH A 185 13.380 23.779 41.385 1.00 42.86 O HETATM 1259 O HOH A 186 17.267 43.058 32.198 1.00 32.40 O HETATM 1260 O HOH A 187 25.671 38.793 39.597 1.00 39.82 O HETATM 1261 O HOH A 188 17.364 21.720 25.757 1.00 38.77 O HETATM 1262 O HOH A 189 21.356 46.645 27.176 1.00 39.55 O HETATM 1263 O HOH A 190 29.693 44.630 34.025 1.00 36.34 O HETATM 1264 O HOH A 191 38.432 42.025 37.478 1.00 37.72 O HETATM 1265 O HOH A 192 44.170 37.791 30.709 1.00 35.88 O HETATM 1266 O HOH A 193 47.224 27.954 33.373 1.00 44.93 O HETATM 1267 O HOH A 194 38.082 48.905 20.947 1.00 42.55 O HETATM 1268 O HOH A 195 25.026 39.403 21.061 1.00 44.51 O HETATM 1269 O HOH A 196 25.449 23.489 20.664 1.00 41.83 O HETATM 1270 O HOH A 197 31.953 48.696 24.863 1.00 35.91 O HETATM 1271 O HOH A 198 21.756 9.969 34.666 1.00 34.09 O HETATM 1272 O HOH A 199 20.124 9.753 31.591 1.00 37.57 O HETATM 1273 O HOH A 200 18.471 11.909 31.004 1.00 40.71 O HETATM 1274 O HOH A 201 35.724 15.593 25.991 1.00 37.97 O HETATM 1275 O HOH A 202 39.906 23.882 26.622 1.00 37.88 O HETATM 1276 O HOH A 203 42.613 32.441 26.327 1.00 37.62 O HETATM 1277 O HOH A 204 42.110 34.900 19.213 1.00 38.65 O HETATM 1278 O HOH A 205 42.121 37.624 20.230 1.00 42.67 O HETATM 1279 O HOH A 206 42.586 30.910 22.332 1.00 35.23 O HETATM 1280 O HOH A 207 17.360 12.182 43.161 1.00 49.73 O HETATM 1281 O HOH A 208 27.133 38.754 16.133 1.00 40.66 O HETATM 1282 O HOH A 209 29.308 14.865 22.004 1.00 42.53 O HETATM 1283 O HOH A 210 23.467 37.872 37.479 1.00 38.92 O HETATM 1284 O HOH A 211 20.729 38.684 37.831 1.00 38.84 O HETATM 1285 O HOH A 212 11.818 35.837 37.199 1.00 40.17 O HETATM 1286 O HOH A 213 11.635 27.538 41.663 1.00 43.98 O HETATM 1287 O HOH A 214 10.528 26.096 39.125 1.00 45.24 O HETATM 1288 O HOH A 215 20.175 18.427 42.896 1.00 41.67 O HETATM 1289 O HOH A 216 24.292 39.390 35.398 1.00 34.27 O HETATM 1290 O HOH A 217 37.014 35.021 35.167 1.00 38.55 O HETATM 1291 O HOH A 218 29.148 46.438 32.155 1.00 36.86 O HETATM 1292 O HOH A 219 35.960 17.577 22.699 1.00 40.15 O HETATM 1293 O HOH A 220 37.577 26.177 19.367 1.00 41.17 O HETATM 1294 O HOH A 221 46.500 37.273 29.854 1.00 42.32 O HETATM 1295 O HOH A 222 20.404 15.262 37.262 1.00 42.55 O HETATM 1296 O HOH A 223 45.585 42.369 24.508 1.00 43.47 O HETATM 1297 O HOH A 224 43.906 49.756 24.079 1.00 46.05 O CONECT 746 1186 CONECT 1182 1183 1184 1185 CONECT 1183 1182 1186 CONECT 1184 1182 CONECT 1185 1182 CONECT 1186 746 1183 1191 1202 CONECT 1186 1210 1218 CONECT 1187 1192 1222 CONECT 1188 1195 1203 CONECT 1189 1206 1211 CONECT 1190 1214 1219 CONECT 1191 1186 1192 1195 CONECT 1192 1187 1191 1193 CONECT 1193 1192 1194 1197 CONECT 1194 1193 1195 1196 CONECT 1195 1188 1191 1194 CONECT 1196 1194 CONECT 1197 1193 1198 CONECT 1198 1197 1199 CONECT 1199 1198 1200 1201 CONECT 1200 1199 CONECT 1201 1199 CONECT 1202 1186 1203 1206 CONECT 1203 1188 1202 1204 CONECT 1204 1203 1205 1207 CONECT 1205 1204 1206 1208 CONECT 1206 1189 1202 1205 CONECT 1207 1204 CONECT 1208 1205 1209 CONECT 1209 1208 CONECT 1210 1186 1211 1214 CONECT 1211 1189 1210 1212 CONECT 1212 1211 1213 1215 CONECT 1213 1212 1214 1216 CONECT 1214 1190 1210 1213 CONECT 1215 1212 CONECT 1216 1213 1217 CONECT 1217 1216 CONECT 1218 1186 1219 1222 CONECT 1219 1190 1218 1220 CONECT 1220 1219 1221 1223 CONECT 1221 1220 1222 1224 CONECT 1222 1187 1218 1221 CONECT 1223 1220 CONECT 1224 1221 1225 CONECT 1225 1224 1226 CONECT 1226 1225 1227 1228 CONECT 1227 1226 CONECT 1228 1226 END