USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER OXYGEN TRANSPORT 23-APR-82 1LH7 TITLE X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. TITLE 2 STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF TITLE 3 2.0 ANGSTROMS (RUSSIAN) COMPND MOL_ID: 1; COMPND 2 MOLECULE: LEGHEMOGLOBIN (NITROSOBENZENE); COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: LUPINUS LUTEUS; SOURCE 3 ORGANISM_COMMON: YELLOW LUPINE; SOURCE 4 ORGANISM_TAXID: 3873 KEYWDS OXYGEN TRANSPORT EXPDTA X-RAY DIFFRACTION AUTHOR B.K.VAINSHTEIN,E.H.HARUTYUNYAN,I.P.KURANOVA,V.V.BORISOV, AUTHOR 2 N.I.SOSFENOV,A.G.PAVLOVSKY,A.I.GREBENKO,N.V.KONAREVA REVDAT 5 24-FEB-09 1LH7 1 VERSN REVDAT 4 14-JUL-86 1LH7 1 HET REVDAT 3 31-MAY-84 1LH7 1 HET FORMUL REVDAT 2 30-SEP-83 1LH7 1 REVDAT REVDAT 1 20-JAN-83 1LH7 0 JRNL AUTH E.G.ARUTYUNYAN,I.P.KURANOVA,B.K.VAINSHTEIN, JRNL AUTH 2 W.STEIGEMANN JRNL TITL X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. JRNL TITL 2 VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A JRNL TITL 3 RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN) JRNL REF KRISTALLOGRAFIYA V. 25 80 1980 JRNL REFN ISSN 0023-4761 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH E.G.ARUTYUNYAN,I.P.KURANOVA,B.K.VAINSHTEIN, REMARK 1 AUTH 2 W.STEIGEMANN REMARK 1 TITL X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. REMARK 1 TITL 2 VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A REMARK 1 TITL 3 RESOLUTION OF 2.0 ANGSTROMS REMARK 1 REF SOV.PHYS.CRYSTALLOGR.(ENGL. V. 25 43 1980 REMARK 1 REF 2 TRANSL.) REMARK 1 REFN ISSN 0038-5638 REMARK 1 REFERENCE 2 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTYUNYAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,YU.V.NEKRASOV REMARK 1 TITL X-RAY DIFFRACTION STUDY OF LEGHEMOGLOBIN. IV. REMARK 1 TITL 2 DETERMINATION OF THE STRUCTURE WITH 2.8 ANGSTROMS REMARK 1 TITL 3 RESOLUTION (RUSSIAN) REMARK 1 REF KRISTALLOGRAFIYA V. 23 517 1978 REMARK 1 REFN ISSN 0023-4761 REMARK 1 REFERENCE 3 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTYUNYAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,YU.V.NEKRASOV REMARK 1 TITL X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. REMARK 1 TITL 2 IV. STRUCTURE DETERMINATION AT A RESOLUTION OF 2.8 REMARK 1 TITL 3 ANGSTROMS REMARK 1 REF SOV.PHYS.CRYSTALLOGR.(ENGL. V. 23 287 1978 REMARK 1 REF 2 TRANSL.) REMARK 1 REFN ISSN 0038-5638 REMARK 1 REFERENCE 4 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTIUNIAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,N.V.KONAREVA,IU.V.NEKRASOV REMARK 1 TITL SPATIAL STRUCTURE OF LUPINE LEGHEMOGLOBIN WITH THE REMARK 1 TITL 2 2.8 ANGSTROMS RESOLUTION (RUSSIAN) REMARK 1 REF DOKL.AKAD.NAUK SSSR V. 233 238 1977 REMARK 1 REFN ISSN 0002-3264 REMARK 1 REFERENCE 5 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTYUNYAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,N.V.KONAREVA,YU.V.NEKRASOV REMARK 1 TITL THREE-DIMENSIONAL STRUCTURE OF LUPINE REMARK 1 TITL 2 LEGHEMOGLOBIN WITH A RESOLUTION OF 2.8 ANGSTROMS REMARK 1 REF DOKL.BIOCHEM.(ENGL.TRANSL.) V. 233 67 1977 REMARK 1 REFN ISSN 0012-4958 REMARK 1 REFERENCE 6 REMARK 1 AUTH E.G.ARUTYUNYAN,I.P.KURANOVA,A.I.GREBENKO, REMARK 1 AUTH 2 A.A.VORONOVA REMARK 1 TITL X-RAY STRUCTURAL STUDY OF LEGHEMOGLOBIN. III. REMARK 1 TITL 2 CRYSTALLOGRAPHIC DATA ON THE STRUCTURE OF THE REMARK 1 TITL 3 FIRST COMPONENT (RUSSIAN) REMARK 1 REF KRISTALLOGRAFIYA V. 22 634 1977 REMARK 1 REFN ISSN 0023-4761 REMARK 1 REFERENCE 7 REMARK 1 AUTH E.G.ARUTYUNYAN,I.P.KURANOVA,A.I.GREBENKO, REMARK 1 AUTH 2 A.A.VORONOVA REMARK 1 TITL X-RAY STRUCTURAL STUDY OF LEGHEMOGLOBIN. III. REMARK 1 TITL 2 CRYSTALLOGRAPHIC DATA REGARDING THE STRUCTURE OF REMARK 1 TITL 3 THE FIRST COMPONENT REMARK 1 REF SOV.PHYS.CRYSTALLOGR.(ENGL. V. 22 362 1977 REMARK 1 REF 2 TRANSL.) REMARK 1 REFN ISSN 0038-5638 REMARK 1 REFERENCE 8 REMARK 1 AUTH S.VUK-PAVLOVIC,B.BENKO,S.MARICIC, REMARK 1 AUTH 2 G.LAHAJNAR I.P.KURANOVA,B.K.VAINSHTEIN REMARK 1 TITL THE HAEM-ACCESSIBILITY IN LEGHAEMOGLOBIN OF REMARK 1 TITL 2 LUPINUS LUTEUS AS OBSERVED BY PROTON MAGNETIC REMARK 1 TITL 3 RELAXATION REMARK 1 REF INT.J.PEPT.PROTEIN RES. V. 8 427 1976 REMARK 1 REFN ISSN 0367-8377 REMARK 1 REFERENCE 9 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTYUNYAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,N.V.KONAREVA REMARK 1 TITL THE X-RAY STRUCTURAL STUDY OF LEGHEMOGLOBIN. II. REMARK 1 TITL 2 DETERMINATION OF THE STRUCTURE AT 5 ANGSTROMS REMARK 1 TITL 3 RESOLUTION (RUSSIAN) REMARK 1 REF KRISTALLOGRAFIYA V. 19 971 1974 REMARK 1 REFN ISSN 0023-4761 REMARK 1 REFERENCE 10 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTYUNYAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,N.V.KONAREVA REMARK 1 TITL X-RAY STUDY OF LEGHEMOGLOBIN. II. DETERMINATION OF REMARK 1 TITL 2 THE STRUCTURE WITH RESOLUTION OF 5 ANGSTROMS REMARK 1 REF SOV.PHYS.CRYSTALLOGR.(ENGL. V. 19 602 1975 REMARK 1 REF 2 TRANSL.) REMARK 1 REFN ISSN 0038-5638 REMARK 1 REFERENCE 11 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTYUNYAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,N.V.KONAREVA REMARK 1 TITL THE X-RAY STRUCTURAL STUDY OF LEGHEMOGLOBIN. I. REMARK 1 TITL 2 PURIFICATION, CRYSTALLIZATION, AND PRODUCTION OF REMARK 1 TITL 3 DERIVATIVES CONTAINING HEAVY ATOMS (RUSSIAN) REMARK 1 REF KRISTALLOGRAFIYA V. 19 964 1974 REMARK 1 REFN ISSN 0023-4761 REMARK 1 REFERENCE 12 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTYUNYAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,N.V.KONAREVA REMARK 1 TITL X-RAY STUDY OF LEGHEMOGLOBIN. I.PURIFICATION, REMARK 1 TITL 2 CRYSTALLIZATION, AND PREPARATION OF DERIVATIVES REMARK 1 TITL 3 CONTAINING HEAVY ATOMS REMARK 1 REF SOV.PHYS.CRYSTALLOGR.(ENGL. V. 19 598 1975 REMARK 1 REF 2 TRANSL.) REMARK 1 REFN ISSN 0038-5638 REMARK 1 REFERENCE 13 REMARK 1 AUTH B.K.VAINSHTEIN,E.H.HARUTYUNYAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKY, REMARK 1 AUTH 3 A.I.GREBENKO,N.V.KONAREVA REMARK 1 TITL STRUCTURE OF LEGHAEMOGLOBIN FROM LUPIN ROOT REMARK 1 TITL 2 NODULES AT 5 ANGSTROMS RESOLUTION REMARK 1 REF NATURE V. 254 163 1975 REMARK 1 REFN ISSN 0028-0836 REMARK 1 REFERENCE 14 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTIUNIAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,N.V.KONAREVA REMARK 1 TITL X-RAY DETERMINATION OF THREE-DIMENSIONAL STRUCTURE REMARK 1 TITL 2 OF LEGHEMOGLOBIN FROM LUPINUS LUTEUS L. AT 5 REMARK 1 TITL 3 ANGSTROMS RESOLUTION (RUSSIAN) REMARK 1 REF DOKL.AKAD.NAUK SSSR V. 216 690 1974 REMARK 1 REFN ISSN 0002-3264 REMARK 1 REFERENCE 15 REMARK 1 AUTH B.K.VAINSHTEIN,E.G.ARUTYUNYAN,I.P.KURANOVA, REMARK 1 AUTH 2 V.V.BORISOV,N.I.SOSFENOV,A.G.PAVLOVSKII, REMARK 1 AUTH 3 A.I.GREBENKO,N.V.KONAREVA REMARK 1 TITL X-RAY DIFFRACTION DETERMINATION OF THE REMARK 1 TITL 2 THREE-DIMENSIONAL STRUCTURE OF LEGHEMOGLOBIN OF REMARK 1 TITL 3 LUPINUS LUTEUS L. WITH 5 ANGSTROMS RESOLUTION REMARK 1 REF DOKL.BIOCHEM.(ENGL.TRANSL.) V. 216 226 1974 REMARK 1 REFN ISSN 0012-4958 REMARK 1 REFERENCE 16 REMARK 1 AUTH E.G.ARUTYUNYAN,V.N.ZAITSEV,G.YA.ZHIZNEVSKAYA, REMARK 1 AUTH 2 L.I.BORODENKO REMARK 1 TITL CELL PARAMETERS OF CRYSTALLINE PLANT (LUPINUS REMARK 1 TITL 2 LUTEUS (LUPINE)) HEMOGLOBIN (RUSSIAN) REMARK 1 REF KRISTALLOGRAFIYA V. 16 237 1971 REMARK 1 REFN ISSN 0023-4761 REMARK 1 REFERENCE 17 REMARK 1 AUTH E.G.ARUTYUNYAN,V.N.ZAITSEV,G.YA.ZHIZNEVSKAYA, REMARK 1 AUTH 2 L.I.BORODENKO REMARK 1 TITL UNIT-CELL PARAMETERS OF CRYSTALLINE PLANT REMARK 1 TITL 2 HEMOGLOBIN REMARK 1 REF SOV.PHYS.CRYSTALLOGR.(ENGL. V. 16 193 1971 REMARK 1 REF 2 TRANSL.) REMARK 1 REFN ISSN 0038-5638 REMARK 2 REMARK 2 RESOLUTION. 2.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : NULL REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING SET) : NULL REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1180 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 51 REMARK 3 SOLVENT ATOMS : 64 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : NULL REMARK 3 BOND ANGLES (DEGREES) : NULL REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1LH7 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : NULL REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL REMARK 200 WAVELENGTH OR RANGE (A) : NULL REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : NULL REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 55.13 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.74 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: B 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 X+1/2,Y,Z+1/2 REMARK 290 4555 -X+1/2,-Y,Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 46.61500 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 25.94000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 46.61500 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 25.94000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 GLY A 1 O REMARK 480 ALA A 2 CB REMARK 480 LYS A 12 NZ REMARK 480 LYS A 24 CE NZ REMARK 480 LYS A 41 NZ REMARK 480 LYS A 48 CG CD CE NZ REMARK 480 SER A 51 OG REMARK 480 GLU A 52 CG CD OE1 OE2 REMARK 480 LYS A 66 NZ REMARK 480 LYS A 69 NZ REMARK 480 LYS A 91 CD CE NZ REMARK 480 LYS A 100 NZ REMARK 480 LYS A 116 NZ REMARK 480 LYS A 119 CE NZ REMARK 480 GLU A 128 CD OE1 OE2 REMARK 480 LYS A 147 CD CE NZ REMARK 480 ASP A 150 OD1 OD2 REMARK 480 ASP A 151 OD1 OD2 REMARK 480 ALA A 153 O OXT REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 217 DISTANCE = 8.03 ANGSTROMS REMARK 615 REMARK 615 ZERO OCCUPANCY ATOM REMARK 615 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 615 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 615 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 615 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 615 M RES C SSEQI REMARK 615 HEM A 154 REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM A 154 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 97 NE2 REMARK 620 2 NBE A 155 N 177.4 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 154 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NBE A 155 DBREF 1LH7 A 1 153 UNP P02240 LGB2_LUPLU 1 153 SEQADV 1LH7 GLU A 79 UNP P02240 GLN 79 CONFLICT SEQADV 1LH7 ASP A 150 UNP P02240 ASN 150 CONFLICT SEQRES 1 A 153 GLY ALA LEU THR GLU SER GLN ALA ALA LEU VAL LYS SER SEQRES 2 A 153 SER TRP GLU GLU PHE ASN ALA ASN ILE PRO LYS HIS THR SEQRES 3 A 153 HIS ARG PHE PHE ILE LEU VAL LEU GLU ILE ALA PRO ALA SEQRES 4 A 153 ALA LYS ASP LEU PHE SER PHE LEU LYS GLY THR SER GLU SEQRES 5 A 153 VAL PRO GLN ASN ASN PRO GLU LEU GLN ALA HIS ALA GLY SEQRES 6 A 153 LYS VAL PHE LYS LEU VAL TYR GLU ALA ALA ILE GLN LEU SEQRES 7 A 153 GLU VAL THR GLY VAL VAL VAL THR ASP ALA THR LEU LYS SEQRES 8 A 153 ASN LEU GLY SER VAL HIS VAL SER LYS GLY VAL ALA ASP SEQRES 9 A 153 ALA HIS PHE PRO VAL VAL LYS GLU ALA ILE LEU LYS THR SEQRES 10 A 153 ILE LYS GLU VAL VAL GLY ALA LYS TRP SER GLU GLU LEU SEQRES 11 A 153 ASN SER ALA TRP THR ILE ALA TYR ASP GLU LEU ALA ILE SEQRES 12 A 153 VAL ILE LYS LYS GLU MET ASP ASP ALA ALA HET HEM A 154 43 HET NBE A 155 8 HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETNAM NBE NITROSOBENZENE HETSYN HEM HEME FORMUL 2 HEM C34 H32 FE N4 O4 FORMUL 3 NBE C6 H5 N O FORMUL 4 HOH *64(H2 O) HELIX 1 A THR A 4 ALA A 20 1 17 HELIX 2 B ASN A 21 ILE A 36 1 16 HELIX 3 C ALA A 37 LEU A 43 1 7 HELIX 4 E ASN A 57 GLY A 82 1 26 HELIX 5 F ALA A 88 GLY A 101 16 14 HELIX 6 G ASP A 104 GLY A 123 1 20 HELIX 7 H SER A 127 ALA A 152 1 26 LINK NE2 HIS A 97 FE HEM A 154 1555 1555 2.19 LINK FE HEM A 154 N NBE A 155 1555 1555 2.02 SITE *** AC1 15 LEU A 43 PHE A 44 SER A 45 HIS A 63 SITE *** AC1 15 VAL A 67 LEU A 93 HIS A 97 LYS A 100 SITE *** AC1 15 VAL A 102 HIS A 106 PHE A 107 VAL A 110 SITE *** AC1 15 TYR A 138 ILE A 145 NBE A 155 SITE *** AC2 5 PHE A 30 PHE A 44 HIS A 63 VAL A 67 SITE *** AC2 5 HEM A 154 CRYST1 93.230 38.250 51.880 90.00 90.00 98.70 B 2 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.010726 0.001641 0.000000 0.00000 SCALE2 0.000000 0.026448 0.000000 0.00000 SCALE3 0.000000 0.000000 0.019275 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 92 ASN H : A 92 ASN N : A 91 LYS C :(H bumps) USER MOD NoAdj-H: A 97 HIS HE2 : A 97 HIS NE2 : A 154 HEMFE :(H bumps) USER MOD Set 1.1: A 7 GLN : amide:sc= -0.256 K(o=0.89,f=-5.2!) USER MOD Set 1.2: A 132 SER OG A: rot -15:sc= 1.14 USER MOD Set 1.3: A 132 SER OG C: rot 180:sc= 0 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= 0.804 USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0.462 USER MOD Single : A 1 GLY N :NH3+ -178:sc=-0.00234 (180deg=-0.028) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -3:sc= 0.904 USER MOD Single : A 19 ASN : amide:sc= 0.997 K(o=1,f=-0.86) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.512 F(o=-3.2!,f=-0.51) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS :FLIP no HE2:sc= 0.133 F(o=-2.5!,f=0.13) USER MOD Single : A 26 THR OG1 : rot -73:sc= 1.12 USER MOD Single : A 27 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.18) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc=-0.00885 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -80:sc= 1.32 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.147 K(o=-0.15,f=-1.9!) USER MOD Single : A 56 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.12) USER MOD Single : A 57 ASN : amide:sc= -0.9 K(o=-0.9,f=-8.4!) USER MOD Single : A 61 GLN :FLIP amide:sc= -0.0915 F(o=-2.4!,f=-0.091) USER MOD Single : A 63 HIS : no HD1:sc= -0.88 X(o=-0.88,f=-0.54) 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= 0.454 F(o=-2.8!,f=0.45) USER MOD Single : A 81 THR OG1 : rot -56:sc= 1.39 USER MOD Single : A 86 THR OG1 : rot 105:sc= -0.0297 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.204 X(o=-0.2,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 71:sc= 0.0225 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= 1.02 K(o=1,f=-5.3!) USER MOD Single : A 111 LYS NZ :NH3+ 173:sc= 1.03 (180deg=0.955) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 73:sc= 0.274 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ -144:sc= 0.0758 (180deg=-0.105) USER MOD Single : A 127 SER OG : rot -170:sc= 0.219 USER MOD Single : A 131 ASN : amide:sc= 0.329 X(o=0.33,f=0.61) USER MOD Single : A 132 SER OG B: rot 71:sc= 1.3 USER MOD Single : A 135 THR OG1 : rot 89:sc= 2.23 USER MOD Single : A 138 TYR OH : rot -42:sc= 0.945 USER MOD Single : A 146 LYS NZ :NH3+ -173:sc= 0.366 (180deg=0.349) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 MET CE :methyl 158:sc= -0.317 (180deg=-1.42!) USER MOD Single : A 154 HEM CMA :methyl -30:sc= -1.74 (180deg=-3.71!) USER MOD Single : A 154 HEM CMB :methyl -30:sc= -0.986 (180deg=-2.71!) USER MOD Single : A 154 HEM CMC :methyl -30:sc= -0.309 (180deg=-1.81) USER MOD Single : A 154 HEM CMD :methyl -30:sc= -0.89 (180deg=-0.981) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 36.148 49.289 32.294 1.00 64.29 N ATOM 2 CA GLY A 1 36.935 48.696 31.260 1.00 61.22 C ATOM 3 C GLY A 1 36.539 48.976 29.816 1.00 66.01 C ATOM 4 O GLY A 1 37.434 49.169 28.926 0.00 0.00 O ATOM 0 H1 GLY A 1 36.492 49.078 33.087 1.00 64.29 H new ATOM 0 H2 GLY A 1 36.148 50.174 32.197 1.00 64.29 H new ATOM 0 H3 GLY A 1 35.313 48.985 32.243 1.00 64.29 H new ATOM 0 HA2 GLY A 1 37.852 48.988 31.379 1.00 61.22 H new ATOM 0 HA3 GLY A 1 36.924 47.735 31.391 1.00 61.22 H new ATOM 5 N ALA A 2 35.215 49.013 29.629 1.00 65.32 N ATOM 6 CA ALA A 2 34.506 49.217 28.366 1.00 55.06 C ATOM 7 C ALA A 2 34.550 48.145 27.281 1.00 50.44 C ATOM 8 O ALA A 2 33.773 48.136 26.301 1.00 50.74 O ATOM 9 CB ALA A 2 35.024 50.619 27.769 0.00 0.00 C ATOM 0 H ALA A 2 34.671 48.912 30.287 1.00 65.32 H new ATOM 0 HA ALA A 2 33.568 49.184 28.611 1.00 55.06 H new ATOM 0 HB1 ALA A 2 34.578 50.797 26.926 0.00 0.00 H new ATOM 0 HB2 ALA A 2 34.825 51.331 28.396 0.00 0.00 H new ATOM 0 HB3 ALA A 2 35.982 50.575 27.624 0.00 0.00 H new ATOM 10 N LEU A 3 35.631 47.545 27.221 1.00 61.06 N ATOM 11 CA LEU A 3 35.912 46.661 26.089 1.00 33.39 C ATOM 12 C LEU A 3 36.938 47.190 25.027 1.00 37.27 C ATOM 13 O LEU A 3 36.642 47.695 23.947 1.00 29.61 O ATOM 14 CB LEU A 3 34.760 45.599 25.635 1.00 40.83 C ATOM 15 CG LEU A 3 34.729 44.332 26.500 1.00 35.05 C ATOM 16 CD1 LEU A 3 33.263 43.713 26.837 1.00 46.62 C ATOM 17 CD2 LEU A 3 35.392 43.336 25.640 1.00 36.96 C ATOM 0 H LEU A 3 36.258 47.602 27.807 1.00 61.06 H new ATOM 0 HA LEU A 3 36.475 45.992 26.508 1.00 33.39 H new ATOM 0 HB2 LEU A 3 33.894 46.033 25.677 1.00 40.83 H new ATOM 0 HB3 LEU A 3 34.907 45.348 24.710 1.00 40.83 H new ATOM 0 HG LEU A 3 35.124 44.543 27.361 1.00 35.05 H new ATOM 0 HD11 LEU A 3 33.365 42.920 27.386 1.00 46.62 H new ATOM 0 HD12 LEU A 3 32.736 44.371 27.316 1.00 46.62 H new ATOM 0 HD13 LEU A 3 32.813 43.478 26.010 1.00 46.62 H new ATOM 0 HD21 LEU A 3 35.426 42.483 26.100 1.00 36.96 H new ATOM 0 HD22 LEU A 3 34.893 43.238 24.814 1.00 36.96 H new ATOM 0 HD23 LEU A 3 36.294 43.631 25.439 1.00 36.96 H new ATOM 18 N THR A 4 38.171 47.179 25.390 1.00 29.77 N ATOM 19 CA THR A 4 39.299 47.693 24.558 1.00 30.15 C ATOM 20 C THR A 4 39.654 46.581 23.683 1.00 11.16 C ATOM 21 O THR A 4 39.086 45.386 23.832 1.00 27.15 O ATOM 22 CB THR A 4 40.538 48.185 25.432 1.00 37.29 C ATOM 23 OG1 THR A 4 41.029 46.996 25.880 1.00 41.52 O ATOM 24 CG2 THR A 4 40.148 49.022 26.646 1.00 31.32 C ATOM 0 H THR A 4 38.427 46.868 26.150 1.00 29.77 H new ATOM 0 HA THR A 4 39.037 48.482 24.058 1.00 30.15 H new ATOM 0 HB THR A 4 41.137 48.749 24.918 1.00 37.29 H new ATOM 0 HG1 THR A 4 41.862 46.978 25.772 1.00 41.52 H new ATOM 0 HG21 THR A 4 40.947 49.285 27.128 1.00 31.32 H new ATOM 0 HG22 THR A 4 39.672 49.815 26.353 1.00 31.32 H new ATOM 0 HG23 THR A 4 39.576 48.499 27.230 1.00 31.32 H new ATOM 25 N GLU A 5 40.406 47.014 22.718 1.00 9.57 N ATOM 26 CA GLU A 5 40.768 46.103 21.699 1.00 14.59 C ATOM 27 C GLU A 5 41.527 45.073 22.374 1.00 18.00 C ATOM 28 O GLU A 5 41.443 43.916 21.898 1.00 34.54 O ATOM 29 CB GLU A 5 41.680 46.959 20.649 1.00 32.44 C ATOM 30 CG GLU A 5 41.941 46.137 19.398 1.00 54.84 C ATOM 31 CD GLU A 5 42.485 47.107 18.272 1.00 68.91 C ATOM 32 OE1 GLU A 5 41.663 47.677 17.583 1.00 57.88 O ATOM 33 OE2 GLU A 5 43.723 47.615 18.296 1.00 56.96 O ATOM 0 H GLU A 5 40.710 47.814 22.637 1.00 9.57 H new ATOM 0 HA GLU A 5 40.032 45.697 21.215 1.00 14.59 H new ATOM 0 HB2 GLU A 5 41.228 47.784 20.414 1.00 32.44 H new ATOM 0 HB3 GLU A 5 42.521 47.205 21.065 1.00 32.44 H new ATOM 0 HG2 GLU A 5 42.587 45.437 19.582 1.00 54.84 H new ATOM 0 HG3 GLU A 5 41.126 45.701 19.104 1.00 54.84 H new ATOM 34 N SER A 6 42.223 45.449 23.460 1.00 24.72 N ATOM 35 CA SER A 6 42.919 44.457 24.139 1.00 19.16 C ATOM 36 C SER A 6 42.017 43.536 25.100 1.00 12.69 C ATOM 37 O SER A 6 42.253 42.357 25.303 1.00 21.75 O ATOM 38 CB SER A 6 44.082 45.175 24.955 1.00 19.71 C ATOM 39 OG SER A 6 43.482 45.726 26.060 1.00 52.79 O ATOM 0 H SER A 6 42.280 46.246 23.778 1.00 24.72 H new ATOM 0 HA SER A 6 43.268 43.833 23.484 1.00 19.16 H new ATOM 0 HB2 SER A 6 44.769 44.540 25.213 1.00 19.71 H new ATOM 0 HB3 SER A 6 44.514 45.857 24.417 1.00 19.71 H new ATOM 0 HG SER A 6 44.060 46.118 26.527 1.00 52.79 H new ATOM 40 N GLN A 7 41.015 44.058 25.661 1.00 8.46 N ATOM 41 CA GLN A 7 40.118 43.199 26.510 1.00 13.26 C ATOM 42 C GLN A 7 39.300 42.106 25.652 1.00 18.34 C ATOM 43 O GLN A 7 39.099 40.916 26.085 1.00 19.92 O ATOM 44 CB GLN A 7 39.121 44.041 27.124 1.00 11.75 C ATOM 45 CG GLN A 7 39.593 44.585 28.500 1.00 20.43 C ATOM 46 CD GLN A 7 38.638 45.526 29.020 1.00 30.83 C ATOM 47 OE1 GLN A 7 38.298 46.402 28.231 1.00 36.95 O ATOM 48 NE2 GLN A 7 38.556 45.634 30.351 1.00 36.69 N ATOM 0 H GLN A 7 40.789 44.886 25.602 1.00 8.46 H new ATOM 0 HA GLN A 7 40.691 42.745 27.148 1.00 13.26 H new ATOM 0 HB2 GLN A 7 38.918 44.784 26.535 1.00 11.75 H new ATOM 0 HB3 GLN A 7 38.300 43.538 27.240 1.00 11.75 H new ATOM 0 HG2 GLN A 7 39.705 43.851 29.124 1.00 20.43 H new ATOM 0 HG3 GLN A 7 40.459 45.012 28.406 1.00 20.43 H new ATOM 0 HE21 GLN A 7 38.811 44.983 30.852 1.00 36.69 H new ATOM 0 HE22 GLN A 7 38.248 46.354 30.706 1.00 36.69 H new ATOM 49 N ALA A 8 38.998 42.526 24.443 1.00 19.11 N ATOM 50 CA ALA A 8 38.184 41.661 23.471 1.00 21.75 C ATOM 51 C ALA A 8 38.966 40.604 22.907 1.00 18.41 C ATOM 52 O ALA A 8 38.373 39.428 22.739 1.00 20.79 O ATOM 53 CB ALA A 8 37.584 42.450 22.335 1.00 11.22 C ATOM 0 H ALA A 8 39.231 43.292 24.128 1.00 19.11 H new ATOM 0 HA ALA A 8 37.468 41.294 24.013 1.00 21.75 H new ATOM 0 HB1 ALA A 8 37.083 41.854 21.756 1.00 11.22 H new ATOM 0 HB2 ALA A 8 36.990 43.129 22.691 1.00 11.22 H new ATOM 0 HB3 ALA A 8 38.292 42.875 21.826 1.00 11.22 H new ATOM 54 N ALA A 9 40.287 40.963 22.780 1.00 18.54 N ATOM 55 CA ALA A 9 41.138 39.959 22.343 1.00 15.80 C ATOM 56 C ALA A 9 41.291 38.940 23.467 1.00 15.98 C ATOM 57 O ALA A 9 41.487 37.767 23.179 1.00 17.70 O ATOM 58 CB ALA A 9 42.536 40.638 21.999 1.00 19.27 C ATOM 0 H ALA A 9 40.634 41.733 22.941 1.00 18.54 H new ATOM 0 HA ALA A 9 40.795 39.506 21.557 1.00 15.80 H new ATOM 0 HB1 ALA A 9 43.157 39.961 21.689 1.00 19.27 H new ATOM 0 HB2 ALA A 9 42.411 41.303 21.304 1.00 19.27 H new ATOM 0 HB3 ALA A 9 42.893 41.064 22.794 1.00 19.27 H new ATOM 59 N LEU A 10 41.173 39.357 24.700 1.00 15.18 N ATOM 60 CA LEU A 10 41.226 38.433 25.805 1.00 17.07 C ATOM 61 C LEU A 10 39.919 37.439 25.905 1.00 13.81 C ATOM 62 O LEU A 10 40.020 36.251 26.232 1.00 13.56 O ATOM 63 CB LEU A 10 41.488 39.201 27.103 1.00 10.90 C ATOM 64 CG LEU A 10 42.959 40.007 27.147 1.00 17.43 C ATOM 65 CD1 LEU A 10 43.145 40.856 28.413 1.00 21.94 C ATOM 66 CD2 LEU A 10 44.015 39.037 27.195 1.00 29.20 C ATOM 0 H LEU A 10 41.060 40.180 24.924 1.00 15.18 H new ATOM 0 HA LEU A 10 41.967 37.828 25.645 1.00 17.07 H new ATOM 0 HB2 LEU A 10 40.775 39.845 27.234 1.00 10.90 H new ATOM 0 HB3 LEU A 10 41.450 38.580 27.847 1.00 10.90 H new ATOM 0 HG LEU A 10 42.977 40.577 26.362 1.00 17.43 H new ATOM 0 HD11 LEU A 10 44.009 41.296 28.383 1.00 21.94 H new ATOM 0 HD12 LEU A 10 42.443 41.524 28.461 1.00 21.94 H new ATOM 0 HD13 LEU A 10 43.101 40.285 29.196 1.00 21.94 H new ATOM 0 HD21 LEU A 10 44.871 39.492 27.221 1.00 29.20 H new ATOM 0 HD22 LEU A 10 43.916 38.490 27.990 1.00 29.20 H new ATOM 0 HD23 LEU A 10 43.973 38.473 26.407 1.00 29.20 H new ATOM 67 N VAL A 11 38.755 37.925 25.780 1.00 23.64 N ATOM 68 CA VAL A 11 37.500 36.949 25.724 1.00 20.21 C ATOM 69 C VAL A 11 37.517 35.947 24.540 1.00 31.94 C ATOM 70 O VAL A 11 37.184 34.702 24.694 1.00 26.51 O ATOM 71 CB VAL A 11 36.258 37.664 25.583 1.00 12.85 C ATOM 72 CG1 VAL A 11 34.892 36.669 25.429 1.00 9.18 C ATOM 73 CG2 VAL A 11 36.156 38.633 26.725 1.00 8.19 C ATOM 0 H VAL A 11 38.574 38.764 25.720 1.00 23.64 H new ATOM 0 HA VAL A 11 37.564 36.475 26.568 1.00 20.21 H new ATOM 0 HB VAL A 11 36.269 38.144 24.740 1.00 12.85 H new ATOM 0 HG11 VAL A 11 34.099 37.220 25.339 1.00 9.18 H new ATOM 0 HG12 VAL A 11 34.987 36.108 24.643 1.00 9.18 H new ATOM 0 HG13 VAL A 11 34.809 36.109 26.217 1.00 9.18 H new ATOM 0 HG21 VAL A 11 35.326 39.130 26.655 1.00 8.19 H new ATOM 0 HG22 VAL A 11 36.172 38.147 27.564 1.00 8.19 H new ATOM 0 HG23 VAL A 11 36.905 39.249 26.695 1.00 8.19 H new ATOM 74 N LYS A 12 38.018 36.413 23.374 1.00 26.13 N ATOM 75 CA LYS A 12 38.061 35.511 22.234 1.00 4.33 C ATOM 76 C LYS A 12 38.869 34.378 22.453 1.00 12.48 C ATOM 77 O LYS A 12 38.439 33.195 22.090 1.00 16.94 O ATOM 78 CB LYS A 12 38.508 36.272 20.932 1.00 7.96 C ATOM 79 CG LYS A 12 38.335 35.330 19.751 1.00 14.28 C ATOM 80 CD LYS A 12 38.495 36.089 18.417 1.00 38.41 C ATOM 81 CE LYS A 12 38.576 35.067 17.262 1.00 41.61 C ATOM 82 NZ LYS A 12 37.410 33.982 17.329 0.00 0.00 N ATOM 0 H LYS A 12 38.320 37.207 23.239 1.00 26.13 H new ATOM 0 HA LYS A 12 37.156 35.183 22.112 1.00 4.33 H new ATOM 0 HB2 LYS A 12 37.975 37.073 20.808 1.00 7.96 H new ATOM 0 HB3 LYS A 12 39.433 36.556 21.006 1.00 7.96 H new ATOM 0 HG2 LYS A 12 38.990 34.616 19.802 1.00 14.28 H new ATOM 0 HG3 LYS A 12 37.459 34.915 19.789 1.00 14.28 H new ATOM 0 HD2 LYS A 12 37.745 36.689 18.281 1.00 38.41 H new ATOM 0 HD3 LYS A 12 39.296 36.636 18.437 1.00 38.41 H new ATOM 0 HE2 LYS A 12 38.530 35.536 16.414 1.00 41.61 H new ATOM 0 HE3 LYS A 12 39.435 34.617 17.291 1.00 41.61 H new ATOM 0 HZ1 LYS A 12 37.493 33.414 16.648 0.00 0.00 H new ATOM 0 HZ2 LYS A 12 37.464 33.534 18.096 0.00 0.00 H new ATOM 0 HZ3 LYS A 12 36.621 34.391 17.280 0.00 0.00 H new ATOM 83 N SER A 13 40.044 34.793 22.958 1.00 10.25 N ATOM 84 CA SER A 13 41.012 33.869 23.160 1.00 13.22 C ATOM 85 C SER A 13 40.489 32.792 24.200 1.00 22.67 C ATOM 86 O SER A 13 40.684 31.568 24.160 1.00 15.86 O ATOM 87 CB SER A 13 42.335 34.776 23.653 1.00 7.79 C ATOM 88 OG SER A 13 43.287 33.906 23.925 1.00 50.17 O ATOM 0 H SER A 13 40.243 35.603 23.169 1.00 10.25 H new ATOM 0 HA SER A 13 41.261 33.342 22.385 1.00 13.22 H new ATOM 0 HB2 SER A 13 42.614 35.391 22.957 1.00 7.79 H new ATOM 0 HB3 SER A 13 42.119 35.310 24.433 1.00 7.79 H new ATOM 0 HG SER A 13 43.976 34.314 24.177 1.00 50.17 H new ATOM 89 N SER A 14 39.925 33.285 25.221 1.00 25.83 N ATOM 90 CA SER A 14 39.379 32.410 26.305 1.00 14.03 C ATOM 91 C SER A 14 38.063 31.507 25.928 1.00 8.32 C ATOM 92 O SER A 14 37.842 30.291 26.273 1.00 15.65 O ATOM 93 CB SER A 14 39.220 33.251 27.557 1.00 16.79 C ATOM 94 OG SER A 14 38.271 34.124 27.332 1.00 26.38 O ATOM 0 H SER A 14 39.821 34.128 25.355 1.00 25.83 H new ATOM 0 HA SER A 14 40.028 31.706 26.459 1.00 14.03 H new ATOM 0 HB2 SER A 14 38.995 32.691 28.317 1.00 16.79 H new ATOM 0 HB3 SER A 14 40.052 33.701 27.773 1.00 16.79 H new ATOM 0 HG SER A 14 38.004 34.050 26.539 1.00 26.38 H new ATOM 95 N TRP A 15 37.293 32.015 25.080 1.00 12.98 N ATOM 96 CA TRP A 15 36.174 31.123 24.434 1.00 5.74 C ATOM 97 C TRP A 15 36.629 30.052 23.525 1.00 27.01 C ATOM 98 O TRP A 15 36.038 28.846 23.519 1.00 14.98 O ATOM 99 CB TRP A 15 35.253 31.997 23.685 1.00 13.76 C ATOM 100 CG TRP A 15 34.025 31.075 23.121 1.00 39.57 C ATOM 101 CD1 TRP A 15 32.911 30.343 23.745 1.00 24.07 C ATOM 102 CD2 TRP A 15 33.970 30.653 21.802 1.00 22.81 C ATOM 103 NE1 TRP A 15 32.222 29.463 22.834 1.00 26.75 N ATOM 104 CE2 TRP A 15 32.832 29.641 21.698 1.00 37.79 C ATOM 105 CE3 TRP A 15 34.872 31.002 20.762 1.00 20.81 C ATOM 106 CZ2 TRP A 15 32.504 28.969 20.521 1.00 29.19 C ATOM 107 CZ3 TRP A 15 34.575 30.259 19.597 1.00 43.04 C ATOM 108 CH2 TRP A 15 33.416 29.287 19.481 1.00 54.81 C ATOM 0 H TRP A 15 37.320 32.831 24.810 1.00 12.98 H new ATOM 0 HA TRP A 15 35.758 30.666 25.182 1.00 5.74 H new ATOM 0 HB2 TRP A 15 34.912 32.701 24.259 1.00 13.76 H new ATOM 0 HB3 TRP A 15 35.717 32.429 22.951 1.00 13.76 H new ATOM 0 HD1 TRP A 15 32.675 30.439 24.639 1.00 24.07 H new ATOM 0 HE1 TRP A 15 31.560 28.941 23.003 1.00 26.75 H new ATOM 0 HE3 TRP A 15 35.557 31.627 20.837 1.00 20.81 H new ATOM 0 HZ2 TRP A 15 31.783 28.389 20.430 1.00 29.19 H new ATOM 0 HZ3 TRP A 15 35.124 30.373 18.855 1.00 43.04 H new ATOM 0 HH2 TRP A 15 33.293 28.865 18.661 1.00 54.81 H new ATOM 109 N GLU A 16 37.758 30.406 22.886 1.00 29.51 N ATOM 110 CA GLU A 16 38.272 29.390 22.072 1.00 24.11 C ATOM 111 C GLU A 16 38.749 28.305 22.940 1.00 18.78 C ATOM 112 O GLU A 16 38.428 27.092 22.610 1.00 23.52 O ATOM 113 CB GLU A 16 39.346 29.969 21.014 1.00 19.63 C ATOM 114 CG GLU A 16 38.750 30.861 20.001 1.00 25.18 C ATOM 115 CD GLU A 16 39.850 31.621 19.099 1.00 47.62 C ATOM 116 OE1 GLU A 16 41.009 32.092 19.562 1.00 47.32 O ATOM 117 OE2 GLU A 16 39.430 32.237 18.140 1.00 42.85 O ATOM 0 H GLU A 16 38.179 31.155 22.922 1.00 29.51 H new ATOM 0 HA GLU A 16 37.586 29.009 21.502 1.00 24.11 H new ATOM 0 HB2 GLU A 16 40.035 30.453 21.495 1.00 19.63 H new ATOM 0 HB3 GLU A 16 39.781 29.227 20.566 1.00 19.63 H new ATOM 0 HG2 GLU A 16 38.169 30.342 19.423 1.00 25.18 H new ATOM 0 HG3 GLU A 16 38.194 31.520 20.445 1.00 25.18 H new ATOM 118 N GLU A 17 39.418 28.696 24.012 1.00 10.07 N ATOM 119 CA GLU A 17 39.803 27.642 24.883 1.00 9.74 C ATOM 120 C GLU A 17 38.543 26.774 25.480 1.00 21.19 C ATOM 121 O GLU A 17 38.533 25.542 25.680 1.00 16.07 O ATOM 122 CB GLU A 17 40.689 28.207 26.081 1.00 4.43 C ATOM 123 CG GLU A 17 42.141 28.741 25.712 1.00 28.34 C ATOM 124 CD GLU A 17 42.891 29.050 27.032 1.00 48.66 C ATOM 125 OE1 GLU A 17 43.267 28.089 27.690 1.00 42.89 O ATOM 126 OE2 GLU A 17 42.551 30.011 27.691 1.00 48.81 O ATOM 0 H GLU A 17 39.638 29.498 24.231 1.00 10.07 H new ATOM 0 HA GLU A 17 40.324 27.029 24.341 1.00 9.74 H new ATOM 0 HB2 GLU A 17 40.200 28.930 26.503 1.00 4.43 H new ATOM 0 HB3 GLU A 17 40.785 27.505 26.743 1.00 4.43 H new ATOM 0 HG2 GLU A 17 42.624 28.078 25.195 1.00 28.34 H new ATOM 0 HG3 GLU A 17 42.079 29.538 25.163 1.00 28.34 H new ATOM 127 N PHE A 18 37.472 27.356 25.747 1.00 24.96 N ATOM 128 CA PHE A 18 36.200 26.550 26.255 1.00 14.88 C ATOM 129 C PHE A 18 35.607 25.467 25.232 1.00 15.67 C ATOM 130 O PHE A 18 35.265 24.242 25.537 1.00 22.01 O ATOM 131 CB PHE A 18 35.121 27.494 26.462 1.00 14.61 C ATOM 132 CG PHE A 18 33.722 26.715 26.860 1.00 17.07 C ATOM 133 CD1 PHE A 18 33.482 26.317 28.172 1.00 27.39 C ATOM 134 CD2 PHE A 18 32.698 26.461 25.928 1.00 19.28 C ATOM 135 CE1 PHE A 18 32.218 25.657 28.575 1.00 9.41 C ATOM 136 CE2 PHE A 18 31.447 25.786 26.316 1.00 6.94 C ATOM 137 CZ PHE A 18 31.212 25.399 27.649 1.00 5.46 C ATOM 0 H PHE A 18 37.353 28.205 25.677 1.00 24.96 H new ATOM 0 HA PHE A 18 36.505 26.080 27.047 1.00 14.88 H new ATOM 0 HB2 PHE A 18 35.361 28.115 27.167 1.00 14.61 H new ATOM 0 HB3 PHE A 18 34.986 28.018 25.657 1.00 14.61 H new ATOM 0 HD1 PHE A 18 34.135 26.470 28.816 1.00 27.39 H new ATOM 0 HD2 PHE A 18 32.814 26.726 25.044 1.00 19.28 H new ATOM 0 HE1 PHE A 18 32.095 25.411 29.463 1.00 9.41 H new ATOM 0 HE2 PHE A 18 30.802 25.613 25.669 1.00 6.94 H new ATOM 0 HZ PHE A 18 30.417 24.988 27.900 1.00 5.46 H new ATOM 138 N ASN A 19 35.511 25.883 24.037 1.00 13.20 N ATOM 139 CA ASN A 19 34.829 25.017 22.980 1.00 13.78 C ATOM 140 C ASN A 19 35.627 23.887 22.605 1.00 9.80 C ATOM 141 O ASN A 19 35.128 22.924 21.870 1.00 23.42 O ATOM 142 CB ASN A 19 34.678 25.952 21.758 1.00 14.88 C ATOM 143 CG ASN A 19 33.545 25.287 20.882 1.00 34.25 C ATOM 144 OD1 ASN A 19 32.380 25.205 21.365 1.00 45.11 O ATOM 145 ND2 ASN A 19 33.804 25.458 19.607 1.00 40.06 N ATOM 0 H ASN A 19 35.807 26.640 23.755 1.00 13.20 H new ATOM 0 HA ASN A 19 33.990 24.662 23.313 1.00 13.78 H new ATOM 0 HB2 ASN A 19 34.432 26.850 22.030 1.00 14.88 H new ATOM 0 HB3 ASN A 19 35.510 26.023 21.264 1.00 14.88 H new ATOM 0 HD21 ASN A 19 33.159 25.522 19.042 1.00 40.06 H new ATOM 0 HD22 ASN A 19 34.619 25.507 19.337 1.00 40.06 H new ATOM 146 N ALA A 20 36.875 24.040 23.099 1.00 15.38 N ATOM 147 CA ALA A 20 37.814 23.152 22.750 1.00 11.81 C ATOM 148 C ALA A 20 37.444 21.846 23.480 1.00 23.14 C ATOM 149 O ALA A 20 38.017 20.855 23.178 1.00 29.09 O ATOM 150 CB ALA A 20 39.310 23.678 23.103 1.00 28.96 C ATOM 0 H ALA A 20 37.130 24.668 23.629 1.00 15.38 H new ATOM 0 HA ALA A 20 37.835 23.011 21.791 1.00 11.81 H new ATOM 0 HB1 ALA A 20 39.960 23.009 22.836 1.00 28.96 H new ATOM 0 HB2 ALA A 20 39.483 24.505 22.626 1.00 28.96 H new ATOM 0 HB3 ALA A 20 39.381 23.834 24.058 1.00 28.96 H new ATOM 151 N ASN A 21 36.621 21.886 24.466 1.00 16.14 N ATOM 152 CA ASN A 21 36.150 20.592 25.166 1.00 9.89 C ATOM 153 C ASN A 21 34.743 20.588 25.746 1.00 7.34 C ATOM 154 O ASN A 21 34.604 20.760 26.977 1.00 17.95 O ATOM 155 CB ASN A 21 37.115 20.408 26.304 1.00 11.15 C ATOM 156 CG ASN A 21 36.940 18.943 26.740 1.00 17.86 C ATOM 157 OD1 ASN A 21 35.858 18.172 26.295 1.00 33.44 O flip ATOM 158 ND2 ASN A 21 37.845 18.539 27.448 1.00 16.41 N flip ATOM 0 H ASN A 21 36.290 22.610 24.790 1.00 16.14 H new ATOM 0 HA ASN A 21 36.128 19.893 24.494 1.00 9.89 H new ATOM 0 HB2 ASN A 21 38.027 20.585 26.024 1.00 11.15 H new ATOM 0 HB3 ASN A 21 36.919 21.017 27.033 1.00 11.15 H new ATOM 0 HD21 ASN A 21 38.478 19.072 27.682 1.00 16.41 H new ATOM 0 HD22 ASN A 21 37.851 17.721 27.714 1.00 16.41 H new ATOM 159 N ILE A 22 33.813 20.617 24.856 1.00 13.91 N ATOM 160 CA ILE A 22 32.407 20.654 25.207 1.00 3.00 C ATOM 161 C ILE A 22 31.889 19.569 26.213 1.00 8.32 C ATOM 162 O ILE A 22 31.285 19.911 27.205 1.00 15.43 O ATOM 163 CB ILE A 22 31.503 20.587 23.952 1.00 11.17 C ATOM 164 CG1 ILE A 22 31.694 21.966 23.269 1.00 14.59 C ATOM 165 CG2 ILE A 22 29.992 20.052 24.215 1.00 20.13 C ATOM 166 CD1 ILE A 22 31.348 23.129 24.173 1.00 8.14 C ATOM 0 H ILE A 22 33.964 20.616 24.009 1.00 13.91 H new ATOM 0 HA ILE A 22 32.345 21.506 25.667 1.00 3.00 H new ATOM 0 HB ILE A 22 31.762 19.886 23.334 1.00 11.17 H new ATOM 0 HG12 ILE A 22 32.615 22.052 22.979 1.00 14.59 H new ATOM 0 HG13 ILE A 22 31.141 22.006 22.473 1.00 14.59 H new ATOM 0 HG21 ILE A 22 29.501 20.044 23.378 1.00 20.13 H new ATOM 0 HG22 ILE A 22 30.025 19.153 24.579 1.00 20.13 H new ATOM 0 HG23 ILE A 22 29.546 20.639 24.845 1.00 20.13 H new ATOM 0 HD11 ILE A 22 31.486 23.962 23.696 1.00 8.14 H new ATOM 0 HD12 ILE A 22 30.419 23.062 24.445 1.00 8.14 H new ATOM 0 HD13 ILE A 22 31.917 23.109 24.958 1.00 8.14 H new ATOM 167 N PRO A 23 32.202 18.359 26.109 1.00 9.90 N ATOM 168 CA PRO A 23 31.455 17.336 26.977 1.00 9.09 C ATOM 169 C PRO A 23 31.959 17.523 28.377 1.00 12.94 C ATOM 170 O PRO A 23 31.120 17.447 29.322 1.00 25.96 O ATOM 171 CB PRO A 23 31.668 15.900 26.511 1.00 13.13 C ATOM 172 CG PRO A 23 32.114 16.100 25.051 1.00 12.96 C ATOM 173 CD PRO A 23 32.509 17.660 24.841 1.00 14.28 C ATOM 0 HA PRO A 23 30.499 17.486 26.915 1.00 9.09 H new ATOM 0 HB2 PRO A 23 32.343 15.444 27.038 1.00 13.13 H new ATOM 0 HB3 PRO A 23 30.856 15.374 26.574 1.00 13.13 H new ATOM 0 HG2 PRO A 23 32.873 15.530 24.849 1.00 12.96 H new ATOM 0 HG3 PRO A 23 31.401 15.848 24.443 1.00 12.96 H new ATOM 0 HD2 PRO A 23 33.449 17.749 24.619 1.00 14.28 H new ATOM 0 HD3 PRO A 23 32.006 18.045 24.106 1.00 14.28 H new ATOM 174 N LYS A 24 33.244 17.968 28.457 1.00 9.74 N ATOM 175 CA LYS A 24 33.786 18.273 29.773 1.00 12.18 C ATOM 176 C LYS A 24 33.369 19.519 30.435 1.00 23.54 C ATOM 177 O LYS A 24 32.797 19.395 31.576 1.00 14.85 O ATOM 178 CB LYS A 24 35.322 18.296 29.803 1.00 12.31 C ATOM 179 CG LYS A 24 35.906 18.660 31.205 1.00 23.50 C ATOM 180 CD LYS A 24 37.471 18.780 31.318 1.00 29.45 C ATOM 181 CE LYS A 24 38.274 19.751 30.316 0.00 0.00 C ATOM 182 NZ LYS A 24 39.723 19.669 30.437 0.00 0.00 N ATOM 0 H LYS A 24 33.776 18.088 27.792 1.00 9.74 H new ATOM 0 HA LYS A 24 33.396 17.534 30.266 1.00 12.18 H new ATOM 0 HB2 LYS A 24 35.658 17.426 29.535 1.00 12.31 H new ATOM 0 HB3 LYS A 24 35.643 18.937 29.149 1.00 12.31 H new ATOM 0 HG2 LYS A 24 35.518 19.504 31.483 1.00 23.50 H new ATOM 0 HG3 LYS A 24 35.609 17.989 31.839 1.00 23.50 H new ATOM 0 HD2 LYS A 24 37.675 19.065 32.222 1.00 29.45 H new ATOM 0 HD3 LYS A 24 37.838 17.888 31.213 1.00 29.45 H new ATOM 0 HE2 LYS A 24 38.023 19.536 29.404 0.00 0.00 H new ATOM 0 HE3 LYS A 24 37.997 20.666 30.478 0.00 0.00 H new ATOM 0 HZ1 LYS A 24 40.102 20.229 29.858 0.00 0.00 H new ATOM 0 HZ2 LYS A 24 39.965 19.891 31.264 0.00 0.00 H new ATOM 0 HZ3 LYS A 24 39.989 18.838 30.263 0.00 0.00 H new ATOM 183 N HIS A 25 33.518 20.625 29.655 1.00 8.94 N ATOM 184 CA HIS A 25 33.200 21.941 30.175 1.00 17.40 C ATOM 185 C HIS A 25 31.705 22.052 30.495 1.00 15.35 C ATOM 186 O HIS A 25 31.369 22.708 31.486 1.00 12.26 O ATOM 187 CB HIS A 25 33.833 23.078 29.246 1.00 3.00 C ATOM 188 CG HIS A 25 35.383 23.108 29.166 1.00 19.51 C ATOM 189 ND1 HIS A 25 36.238 23.402 28.145 1.00 22.72 N flip ATOM 190 CD2 HIS A 25 36.138 22.761 30.280 1.00 12.42 C flip ATOM 191 CE1 HIS A 25 37.548 23.214 28.575 1.00 12.18 C flip ATOM 192 NE2 HIS A 25 37.499 22.841 29.937 1.00 17.52 N flip ATOM 0 H HIS A 25 33.797 20.614 28.842 1.00 8.94 H new ATOM 0 HA HIS A 25 33.624 22.087 31.035 1.00 17.40 H new ATOM 0 HB2 HIS A 25 33.483 22.969 28.348 1.00 3.00 H new ATOM 0 HB3 HIS A 25 33.527 23.941 29.567 1.00 3.00 H new ATOM 0 HD1 HIS A 25 36.004 23.662 27.359 1.00 22.72 H new ATOM 0 HD2 HIS A 25 35.800 22.517 31.111 1.00 12.42 H new ATOM 0 HE1 HIS A 25 38.316 23.315 28.060 1.00 12.18 H new ATOM 193 N THR A 26 30.815 21.469 29.659 1.00 9.43 N ATOM 194 CA THR A 26 29.355 21.383 29.863 1.00 11.23 C ATOM 195 C THR A 26 28.853 20.538 31.075 1.00 10.07 C ATOM 196 O THR A 26 27.903 20.836 31.768 1.00 6.72 O ATOM 197 CB THR A 26 28.550 20.907 28.599 1.00 26.80 C ATOM 198 OG1 THR A 26 28.732 19.572 28.242 1.00 19.61 O ATOM 199 CG2 THR A 26 28.928 21.884 27.428 1.00 14.62 C ATOM 0 H THR A 26 31.064 21.097 28.925 1.00 9.43 H new ATOM 0 HA THR A 26 29.171 22.315 30.059 1.00 11.23 H new ATOM 0 HB THR A 26 27.604 20.943 28.811 1.00 26.80 H new ATOM 0 HG1 THR A 26 29.495 19.473 27.905 1.00 19.61 H new ATOM 0 HG21 THR A 26 28.451 21.625 26.624 1.00 14.62 H new ATOM 0 HG22 THR A 26 28.684 22.791 27.671 1.00 14.62 H new ATOM 0 HG23 THR A 26 29.883 21.840 27.265 1.00 14.62 H new ATOM 200 N HIS A 27 29.461 19.484 31.308 1.00 11.43 N ATOM 201 CA HIS A 27 29.011 18.626 32.423 1.00 7.99 C ATOM 202 C HIS A 27 29.482 19.391 33.698 1.00 16.32 C ATOM 203 O HIS A 27 28.688 19.417 34.655 1.00 13.85 O ATOM 204 CB HIS A 27 29.712 17.356 32.309 1.00 10.17 C ATOM 205 CG HIS A 27 29.654 16.517 33.607 1.00 6.02 C ATOM 206 ND1 HIS A 27 28.440 15.603 34.028 1.00 23.51 N ATOM 207 CD2 HIS A 27 30.631 16.484 34.525 1.00 13.22 C ATOM 208 CE1 HIS A 27 28.752 15.068 35.285 1.00 15.94 C ATOM 209 NE2 HIS A 27 30.132 15.583 35.575 1.00 24.45 N ATOM 0 H HIS A 27 30.141 19.196 30.868 1.00 11.43 H new ATOM 0 HA HIS A 27 28.057 18.452 32.437 1.00 7.99 H new ATOM 0 HB2 HIS A 27 29.327 16.844 31.581 1.00 10.17 H new ATOM 0 HB3 HIS A 27 30.639 17.523 32.079 1.00 10.17 H new ATOM 0 HD2 HIS A 27 31.445 16.932 34.503 1.00 13.22 H new ATOM 0 HE1 HIS A 27 28.224 14.519 35.818 1.00 15.94 H new ATOM 0 HE2 HIS A 27 30.581 15.374 36.278 1.00 24.45 H new ATOM 210 N ARG A 28 30.705 20.114 33.635 1.00 14.50 N ATOM 211 CA ARG A 28 31.307 20.935 34.733 1.00 9.42 C ATOM 212 C ARG A 28 30.454 22.040 35.086 1.00 13.00 C ATOM 213 O ARG A 28 30.272 22.328 36.290 1.00 17.87 O ATOM 214 CB ARG A 28 32.843 21.438 34.496 1.00 16.45 C ATOM 215 CG ARG A 28 33.524 22.184 35.732 1.00 27.29 C ATOM 216 CD ARG A 28 33.462 21.275 36.980 1.00 31.13 C ATOM 217 NE ARG A 28 34.069 22.104 38.109 1.00 53.71 N ATOM 218 CZ ARG A 28 33.908 21.833 39.413 1.00 56.36 C ATOM 219 NH1 ARG A 28 33.165 20.711 39.847 1.00 53.36 N ATOM 220 NH2 ARG A 28 34.504 22.703 40.301 1.00 50.74 N ATOM 0 H ARG A 28 31.189 20.118 32.924 1.00 14.50 H new ATOM 0 HA ARG A 28 31.371 20.316 35.477 1.00 9.42 H new ATOM 0 HB2 ARG A 28 33.386 20.668 34.264 1.00 16.45 H new ATOM 0 HB3 ARG A 28 32.856 22.035 33.732 1.00 16.45 H new ATOM 0 HG2 ARG A 28 34.446 22.401 35.523 1.00 27.29 H new ATOM 0 HG3 ARG A 28 33.068 23.022 35.907 1.00 27.29 H new ATOM 0 HD2 ARG A 28 32.548 21.021 37.184 1.00 31.13 H new ATOM 0 HD3 ARG A 28 33.960 20.454 36.841 1.00 31.13 H new ATOM 0 HE ARG A 28 34.544 22.788 37.896 1.00 53.71 H new ATOM 0 HH11 ARG A 28 32.805 20.185 39.270 1.00 53.36 H new ATOM 0 HH12 ARG A 28 33.074 20.555 40.688 1.00 53.36 H new ATOM 0 HH21 ARG A 28 34.951 23.377 40.008 1.00 50.74 H new ATOM 0 HH22 ARG A 28 34.429 22.572 41.148 1.00 50.74 H new ATOM 221 N PHE A 29 30.009 22.638 34.045 1.00 12.86 N ATOM 222 CA PHE A 29 29.143 23.711 34.140 1.00 9.21 C ATOM 223 C PHE A 29 27.839 23.271 34.937 1.00 19.87 C ATOM 224 O PHE A 29 27.544 23.989 35.891 1.00 19.07 O ATOM 225 CB PHE A 29 28.814 24.216 32.745 1.00 5.74 C ATOM 226 CG PHE A 29 27.640 25.037 32.757 1.00 3.11 C ATOM 227 CD1 PHE A 29 27.847 26.347 33.242 1.00 5.21 C ATOM 228 CD2 PHE A 29 26.400 24.477 32.257 1.00 3.00 C ATOM 229 CE1 PHE A 29 26.860 27.182 33.163 1.00 8.31 C ATOM 230 CE2 PHE A 29 25.378 25.298 32.198 1.00 19.77 C ATOM 231 CZ PHE A 29 25.624 26.665 32.622 1.00 7.65 C ATOM 0 H PHE A 29 30.214 22.417 33.240 1.00 12.86 H new ATOM 0 HA PHE A 29 29.557 24.439 34.630 1.00 9.21 H new ATOM 0 HB2 PHE A 29 29.564 24.724 32.396 1.00 5.74 H new ATOM 0 HB3 PHE A 29 28.680 23.463 32.149 1.00 5.74 H new ATOM 0 HD1 PHE A 29 28.664 26.602 33.606 1.00 5.21 H new ATOM 0 HD2 PHE A 29 26.333 23.588 31.993 1.00 3.00 H new ATOM 0 HE1 PHE A 29 26.942 28.066 33.439 1.00 8.31 H new ATOM 0 HE2 PHE A 29 24.542 25.020 31.901 1.00 19.77 H new ATOM 0 HZ PHE A 29 24.919 27.265 32.537 1.00 7.65 H new ATOM 232 N PHE A 30 27.114 22.123 34.591 1.00 18.28 N ATOM 233 CA PHE A 30 25.872 21.516 35.332 1.00 13.22 C ATOM 234 C PHE A 30 26.127 21.141 36.777 1.00 8.94 C ATOM 235 O PHE A 30 25.348 21.443 37.646 1.00 12.21 O ATOM 236 CB PHE A 30 25.049 20.309 34.566 1.00 7.88 C ATOM 237 CG PHE A 30 24.080 20.830 33.580 1.00 15.91 C ATOM 238 CD1 PHE A 30 24.408 20.982 32.250 1.00 17.58 C ATOM 239 CD2 PHE A 30 22.948 21.307 34.089 1.00 22.31 C ATOM 240 CE1 PHE A 30 23.558 21.568 31.378 1.00 23.96 C ATOM 241 CE2 PHE A 30 22.119 21.920 33.260 1.00 17.17 C ATOM 242 CZ PHE A 30 22.417 22.040 31.894 1.00 37.08 C ATOM 0 H PHE A 30 27.330 21.656 33.901 1.00 18.28 H new ATOM 0 HA PHE A 30 25.276 22.281 35.310 1.00 13.22 H new ATOM 0 HB2 PHE A 30 25.680 19.724 34.118 1.00 7.88 H new ATOM 0 HB3 PHE A 30 24.581 19.771 35.224 1.00 7.88 H new ATOM 0 HD1 PHE A 30 25.232 20.675 31.946 1.00 17.58 H new ATOM 0 HD2 PHE A 30 22.747 21.213 34.992 1.00 22.31 H new ATOM 0 HE1 PHE A 30 23.755 21.639 30.472 1.00 23.96 H new ATOM 0 HE2 PHE A 30 21.326 22.277 33.588 1.00 17.17 H new ATOM 0 HZ PHE A 30 21.805 22.459 31.332 1.00 37.08 H new ATOM 243 N ILE A 31 27.271 20.663 37.060 1.00 12.20 N ATOM 244 CA ILE A 31 27.620 20.328 38.419 1.00 7.90 C ATOM 245 C ILE A 31 27.803 21.628 39.208 1.00 3.00 C ATOM 246 O ILE A 31 27.424 21.601 40.383 1.00 9.54 O ATOM 247 CB ILE A 31 28.975 19.781 38.496 1.00 9.46 C ATOM 248 CG1 ILE A 31 28.909 18.440 37.751 1.00 20.51 C ATOM 249 CG2 ILE A 31 29.431 19.642 39.939 1.00 3.00 C ATOM 250 CD1 ILE A 31 27.901 17.363 38.463 1.00 31.40 C ATOM 0 H ILE A 31 27.890 20.513 36.482 1.00 12.20 H new ATOM 0 HA ILE A 31 26.933 19.723 38.739 1.00 7.90 H new ATOM 0 HB ILE A 31 29.635 20.364 38.090 1.00 9.46 H new ATOM 0 HG12 ILE A 31 28.616 18.596 36.839 1.00 20.51 H new ATOM 0 HG13 ILE A 31 29.800 18.059 37.702 1.00 20.51 H new ATOM 0 HG21 ILE A 31 30.330 19.278 39.961 1.00 3.00 H new ATOM 0 HG22 ILE A 31 29.425 20.513 40.366 1.00 3.00 H new ATOM 0 HG23 ILE A 31 28.830 19.046 40.413 1.00 3.00 H new ATOM 0 HD11 ILE A 31 27.897 16.537 37.954 1.00 31.40 H new ATOM 0 HD12 ILE A 31 28.205 17.184 39.367 1.00 31.40 H new ATOM 0 HD13 ILE A 31 27.003 17.729 38.491 1.00 31.40 H new ATOM 251 N LEU A 32 28.346 22.714 38.585 1.00 3.00 N ATOM 252 CA LEU A 32 28.626 23.970 39.370 1.00 3.00 C ATOM 253 C LEU A 32 27.328 24.586 39.543 1.00 7.91 C ATOM 254 O LEU A 32 27.097 25.159 40.587 1.00 21.16 O ATOM 255 CB LEU A 32 29.546 24.967 38.492 1.00 7.16 C ATOM 256 CG LEU A 32 31.014 24.633 38.423 1.00 13.37 C ATOM 257 CD1 LEU A 32 31.874 25.560 37.429 1.00 19.71 C ATOM 258 CD2 LEU A 32 31.717 24.825 39.789 1.00 21.08 C ATOM 0 H LEU A 32 28.552 22.750 37.751 1.00 3.00 H new ATOM 0 HA LEU A 32 29.081 23.785 40.207 1.00 3.00 H new ATOM 0 HB2 LEU A 32 29.196 24.988 37.588 1.00 7.16 H new ATOM 0 HB3 LEU A 32 29.454 25.863 38.852 1.00 7.16 H new ATOM 0 HG LEU A 32 30.999 23.714 38.114 1.00 13.37 H new ATOM 0 HD11 LEU A 32 32.802 25.278 37.445 1.00 19.71 H new ATOM 0 HD12 LEU A 32 31.527 25.477 36.527 1.00 19.71 H new ATOM 0 HD13 LEU A 32 31.812 26.485 37.714 1.00 19.71 H new ATOM 0 HD21 LEU A 32 32.657 24.601 39.704 1.00 21.08 H new ATOM 0 HD22 LEU A 32 31.630 25.749 40.071 1.00 21.08 H new ATOM 0 HD23 LEU A 32 31.305 24.246 40.449 1.00 21.08 H new ATOM 259 N VAL A 33 26.450 24.426 38.588 1.00 13.36 N ATOM 260 CA VAL A 33 25.142 24.880 38.784 1.00 11.45 C ATOM 261 C VAL A 33 24.425 24.232 40.019 1.00 3.13 C ATOM 262 O VAL A 33 23.894 24.962 40.815 1.00 23.65 O ATOM 263 CB VAL A 33 24.222 24.615 37.553 1.00 9.24 C ATOM 264 CG1 VAL A 33 22.769 24.743 37.932 1.00 10.96 C ATOM 265 CG2 VAL A 33 24.731 25.458 36.281 1.00 7.39 C ATOM 0 H VAL A 33 26.606 24.057 37.827 1.00 13.36 H new ATOM 0 HA VAL A 33 25.259 25.831 38.933 1.00 11.45 H new ATOM 0 HB VAL A 33 24.290 23.694 37.257 1.00 9.24 H new ATOM 0 HG11 VAL A 33 22.215 24.575 37.154 1.00 10.96 H new ATOM 0 HG12 VAL A 33 22.557 24.098 38.625 1.00 10.96 H new ATOM 0 HG13 VAL A 33 22.598 25.639 38.262 1.00 10.96 H new ATOM 0 HG21 VAL A 33 24.150 25.284 35.524 1.00 7.39 H new ATOM 0 HG22 VAL A 33 24.712 26.405 36.491 1.00 7.39 H new ATOM 0 HG23 VAL A 33 25.638 25.195 36.060 1.00 7.39 H new ATOM 266 N LEU A 34 24.447 22.920 40.142 1.00 18.22 N ATOM 267 CA LEU A 34 23.725 22.014 41.173 1.00 11.61 C ATOM 268 C LEU A 34 24.401 22.224 42.508 1.00 15.88 C ATOM 269 O LEU A 34 23.617 22.243 43.462 1.00 18.01 O ATOM 270 CB LEU A 34 23.576 20.509 40.813 1.00 7.55 C ATOM 271 CG LEU A 34 22.323 19.966 39.948 1.00 9.22 C ATOM 272 CD1 LEU A 34 21.661 20.983 39.210 1.00 11.30 C ATOM 273 CD2 LEU A 34 22.392 18.675 39.107 1.00 8.55 C ATOM 0 H LEU A 34 24.914 22.446 39.597 1.00 18.22 H new ATOM 0 HA LEU A 34 22.796 22.292 41.188 1.00 11.61 H new ATOM 0 HB2 LEU A 34 24.380 20.253 40.335 1.00 7.55 H new ATOM 0 HB3 LEU A 34 23.575 20.018 41.650 1.00 7.55 H new ATOM 0 HG LEU A 34 21.813 19.656 40.712 1.00 9.22 H new ATOM 0 HD11 LEU A 34 20.923 20.595 38.715 1.00 11.30 H new ATOM 0 HD12 LEU A 34 21.322 21.657 39.820 1.00 11.30 H new ATOM 0 HD13 LEU A 34 22.285 21.392 38.591 1.00 11.30 H new ATOM 0 HD21 LEU A 34 21.539 18.528 38.668 1.00 8.55 H new ATOM 0 HD22 LEU A 34 23.089 18.761 38.438 1.00 8.55 H new ATOM 0 HD23 LEU A 34 22.591 17.922 39.685 1.00 8.55 H new ATOM 274 N GLU A 35 25.740 22.663 42.510 1.00 13.08 N ATOM 275 CA GLU A 35 26.460 23.113 43.754 1.00 7.15 C ATOM 276 C GLU A 35 26.056 24.405 44.269 1.00 10.10 C ATOM 277 O GLU A 35 26.159 24.622 45.493 1.00 17.40 O ATOM 278 CB GLU A 35 27.966 23.411 43.441 1.00 28.62 C ATOM 279 CG GLU A 35 28.502 22.081 43.103 1.00 55.68 C ATOM 280 CD GLU A 35 30.046 22.279 43.065 1.00 50.12 C ATOM 281 OE1 GLU A 35 30.535 21.200 43.116 1.00 46.79 O ATOM 282 OE2 GLU A 35 30.728 23.357 43.527 1.00 44.92 O ATOM 0 H GLU A 35 26.224 22.699 41.800 1.00 13.08 H new ATOM 0 HA GLU A 35 26.272 22.390 44.372 1.00 7.15 H new ATOM 0 HB2 GLU A 35 28.063 24.035 42.705 1.00 28.62 H new ATOM 0 HB3 GLU A 35 28.422 23.799 44.204 1.00 28.62 H new ATOM 0 HG2 GLU A 35 28.247 21.419 43.765 1.00 55.68 H new ATOM 0 HG3 GLU A 35 28.165 21.771 42.248 1.00 55.68 H new ATOM 283 N ILE A 36 25.647 25.244 43.377 1.00 15.78 N ATOM 284 CA ILE A 36 25.346 26.571 43.787 1.00 15.86 C ATOM 285 C ILE A 36 23.861 26.491 44.189 1.00 18.25 C ATOM 286 O ILE A 36 23.522 27.094 45.212 1.00 12.03 O ATOM 287 CB ILE A 36 25.671 27.648 42.663 1.00 17.79 C ATOM 288 CG1 ILE A 36 27.197 27.942 42.274 1.00 11.11 C ATOM 289 CG2 ILE A 36 25.156 28.989 43.036 1.00 7.36 C ATOM 290 CD1 ILE A 36 27.401 28.878 41.030 1.00 10.49 C ATOM 0 H ILE A 36 25.537 25.074 42.541 1.00 15.78 H new ATOM 0 HA ILE A 36 25.896 26.881 44.524 1.00 15.86 H new ATOM 0 HB ILE A 36 25.247 27.214 41.906 1.00 17.79 H new ATOM 0 HG12 ILE A 36 27.639 28.343 43.039 1.00 11.11 H new ATOM 0 HG13 ILE A 36 27.640 27.097 42.101 1.00 11.11 H new ATOM 0 HG21 ILE A 36 25.368 29.624 42.334 1.00 7.36 H new ATOM 0 HG22 ILE A 36 24.194 28.946 43.152 1.00 7.36 H new ATOM 0 HG23 ILE A 36 25.569 29.275 43.866 1.00 7.36 H new ATOM 0 HD11 ILE A 36 28.350 29.000 40.869 1.00 10.49 H new ATOM 0 HD12 ILE A 36 26.990 28.474 40.250 1.00 10.49 H new ATOM 0 HD13 ILE A 36 26.989 29.739 41.202 1.00 10.49 H new ATOM 291 N ALA A 37 23.041 25.588 43.550 1.00 9.29 N ATOM 292 CA ALA A 37 21.569 25.344 43.861 1.00 12.54 C ATOM 293 C ALA A 37 20.926 23.957 43.362 1.00 12.53 C ATOM 294 O ALA A 37 20.440 23.743 42.176 1.00 9.49 O ATOM 295 CB ALA A 37 20.832 26.453 43.183 1.00 14.32 C ATOM 0 H ALA A 37 23.328 25.089 42.911 1.00 9.29 H new ATOM 0 HA ALA A 37 21.496 25.304 44.827 1.00 12.54 H new ATOM 0 HB1 ALA A 37 19.880 26.355 43.344 1.00 14.32 H new ATOM 0 HB2 ALA A 37 21.133 27.305 43.536 1.00 14.32 H new ATOM 0 HB3 ALA A 37 21.004 26.420 42.229 1.00 14.32 H new ATOM 296 N PRO A 38 20.920 23.038 44.278 1.00 17.66 N ATOM 297 CA PRO A 38 20.397 21.583 44.005 1.00 18.09 C ATOM 298 C PRO A 38 18.942 21.351 43.507 1.00 20.92 C ATOM 299 O PRO A 38 18.597 20.429 42.669 1.00 23.61 O ATOM 300 CB PRO A 38 20.489 20.848 45.339 1.00 10.24 C ATOM 301 CG PRO A 38 21.259 21.849 46.327 1.00 4.79 C ATOM 302 CD PRO A 38 21.518 23.228 45.632 1.00 9.42 C ATOM 0 HA PRO A 38 20.948 21.282 43.265 1.00 18.09 H new ATOM 0 HB2 PRO A 38 19.607 20.631 45.680 1.00 10.24 H new ATOM 0 HB3 PRO A 38 20.971 20.011 45.244 1.00 10.24 H new ATOM 0 HG2 PRO A 38 20.735 21.982 47.132 1.00 4.79 H new ATOM 0 HG3 PRO A 38 22.103 21.456 46.599 1.00 4.79 H new ATOM 0 HD2 PRO A 38 21.096 23.957 46.112 1.00 9.42 H new ATOM 0 HD3 PRO A 38 22.465 23.433 45.581 1.00 9.42 H new ATOM 303 N ALA A 39 18.186 22.268 43.891 1.00 12.06 N ATOM 304 CA ALA A 39 16.736 22.224 43.524 1.00 12.32 C ATOM 305 C ALA A 39 16.534 22.326 42.030 1.00 8.18 C ATOM 306 O ALA A 39 15.407 21.936 41.484 1.00 15.75 O ATOM 307 CB ALA A 39 16.132 23.358 44.240 1.00 15.05 C ATOM 0 H ALA A 39 18.429 22.945 44.362 1.00 12.06 H new ATOM 0 HA ALA A 39 16.324 21.382 43.773 1.00 12.32 H new ATOM 0 HB1 ALA A 39 15.182 23.393 44.048 1.00 15.05 H new ATOM 0 HB2 ALA A 39 16.264 23.246 45.194 1.00 15.05 H new ATOM 0 HB3 ALA A 39 16.551 24.184 43.951 1.00 15.05 H new ATOM 308 N ALA A 40 17.613 22.930 41.401 1.00 13.33 N ATOM 309 CA ALA A 40 17.517 23.267 39.984 1.00 16.32 C ATOM 310 C ALA A 40 17.308 21.984 39.149 1.00 17.40 C ATOM 311 O ALA A 40 16.945 21.984 37.940 1.00 16.48 O ATOM 312 CB ALA A 40 18.870 24.055 39.521 1.00 10.32 C ATOM 0 H ALA A 40 18.358 23.131 41.780 1.00 13.33 H new ATOM 0 HA ALA A 40 16.755 23.848 39.837 1.00 16.32 H new ATOM 0 HB1 ALA A 40 18.808 24.280 38.579 1.00 10.32 H new ATOM 0 HB2 ALA A 40 18.965 24.868 40.041 1.00 10.32 H new ATOM 0 HB3 ALA A 40 19.642 23.486 39.667 1.00 10.32 H new ATOM 313 N LYS A 41 17.577 20.925 39.793 1.00 9.76 N ATOM 314 CA LYS A 41 17.613 19.696 39.013 1.00 13.50 C ATOM 315 C LYS A 41 16.238 19.191 38.374 1.00 20.52 C ATOM 316 O LYS A 41 16.155 18.778 37.196 1.00 20.51 O ATOM 317 CB LYS A 41 17.899 18.580 39.975 1.00 23.49 C ATOM 318 CG LYS A 41 17.857 17.215 39.243 1.00 42.18 C ATOM 319 CD LYS A 41 18.205 16.085 40.190 1.00 52.08 C ATOM 320 CE LYS A 41 18.096 14.683 39.507 1.00 39.25 C ATOM 321 NZ LYS A 41 16.677 14.107 39.262 0.00 0.00 N ATOM 0 H LYS A 41 17.739 20.860 40.635 1.00 9.76 H new ATOM 0 HA LYS A 41 18.246 19.892 38.305 1.00 13.50 H new ATOM 0 HB2 LYS A 41 18.770 18.710 40.381 1.00 23.49 H new ATOM 0 HB3 LYS A 41 17.247 18.589 40.693 1.00 23.49 H new ATOM 0 HG2 LYS A 41 16.973 17.070 38.871 1.00 42.18 H new ATOM 0 HG3 LYS A 41 18.480 17.223 38.499 1.00 42.18 H new ATOM 0 HD2 LYS A 41 19.107 16.211 40.523 1.00 52.08 H new ATOM 0 HD3 LYS A 41 17.613 16.115 40.958 1.00 52.08 H new ATOM 0 HE2 LYS A 41 18.550 14.732 38.651 1.00 39.25 H new ATOM 0 HE3 LYS A 41 18.586 14.047 40.052 1.00 39.25 H new ATOM 0 HZ1 LYS A 41 16.743 13.310 38.871 0.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.253 14.021 40.040 0.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.219 14.659 38.735 0.00 0.00 H new ATOM 322 N ASP A 42 15.206 19.380 39.077 1.00 23.51 N ATOM 323 CA ASP A 42 13.794 19.017 38.622 1.00 25.97 C ATOM 324 C ASP A 42 13.464 19.776 37.386 1.00 35.32 C ATOM 325 O ASP A 42 12.412 19.297 36.777 1.00 25.90 O ATOM 326 CB ASP A 42 12.828 19.328 39.755 1.00 32.11 C ATOM 327 CG ASP A 42 13.059 18.398 40.922 1.00 53.84 C ATOM 328 OD1 ASP A 42 13.722 18.898 41.918 1.00 55.06 O ATOM 329 OD2 ASP A 42 13.080 17.165 40.676 1.00 49.45 O ATOM 0 H ASP A 42 15.233 19.728 39.863 1.00 23.51 H new ATOM 0 HA ASP A 42 13.727 18.072 38.412 1.00 25.97 H new ATOM 0 HB2 ASP A 42 12.942 20.248 40.041 1.00 32.11 H new ATOM 0 HB3 ASP A 42 11.914 19.240 39.441 1.00 32.11 H new ATOM 330 N LEU A 43 14.315 20.896 37.017 1.00 17.43 N ATOM 331 CA LEU A 43 14.004 21.680 35.818 1.00 14.86 C ATOM 332 C LEU A 43 14.302 20.973 34.538 1.00 24.77 C ATOM 333 O LEU A 43 13.796 21.307 33.470 1.00 21.10 O ATOM 334 CB LEU A 43 14.803 23.124 35.797 1.00 19.64 C ATOM 335 CG LEU A 43 14.520 23.923 37.048 1.00 10.43 C ATOM 336 CD1 LEU A 43 15.433 25.288 36.966 1.00 14.94 C ATOM 337 CD2 LEU A 43 13.011 24.096 37.051 1.00 20.68 C ATOM 0 H LEU A 43 15.011 21.151 37.454 1.00 17.43 H new ATOM 0 HA LEU A 43 13.046 21.823 35.874 1.00 14.86 H new ATOM 0 HB2 LEU A 43 15.757 22.968 35.719 1.00 19.64 H new ATOM 0 HB3 LEU A 43 14.534 23.634 35.017 1.00 19.64 H new ATOM 0 HG LEU A 43 14.763 23.521 37.896 1.00 10.43 H new ATOM 0 HD11 LEU A 43 15.278 25.829 37.756 1.00 14.94 H new ATOM 0 HD12 LEU A 43 16.372 25.047 36.919 1.00 14.94 H new ATOM 0 HD13 LEU A 43 15.189 25.794 36.175 1.00 14.94 H new ATOM 0 HD21 LEU A 43 12.745 24.605 37.833 1.00 20.68 H new ATOM 0 HD22 LEU A 43 12.738 24.569 36.249 1.00 20.68 H new ATOM 0 HD23 LEU A 43 12.585 23.225 37.073 1.00 20.68 H new ATOM 338 N PHE A 44 15.228 20.164 34.618 1.00 13.25 N ATOM 339 CA PHE A 44 15.838 19.737 33.362 1.00 20.72 C ATOM 340 C PHE A 44 15.283 18.271 33.060 1.00 32.19 C ATOM 341 O PHE A 44 15.418 17.416 33.945 1.00 22.12 O ATOM 342 CB PHE A 44 17.398 19.868 33.501 1.00 13.10 C ATOM 343 CG PHE A 44 17.999 21.359 33.731 1.00 17.35 C ATOM 344 CD1 PHE A 44 18.263 21.821 35.020 1.00 11.47 C ATOM 345 CD2 PHE A 44 18.293 22.229 32.661 1.00 19.25 C ATOM 346 CE1 PHE A 44 18.819 23.142 35.225 1.00 27.47 C ATOM 347 CE2 PHE A 44 18.844 23.609 32.877 1.00 15.02 C ATOM 348 CZ PHE A 44 19.103 24.045 34.154 1.00 24.74 C ATOM 0 H PHE A 44 15.551 19.826 35.340 1.00 13.25 H new ATOM 0 HA PHE A 44 15.609 20.285 32.595 1.00 20.72 H new ATOM 0 HB2 PHE A 44 17.682 19.312 34.243 1.00 13.10 H new ATOM 0 HB3 PHE A 44 17.803 19.501 32.700 1.00 13.10 H new ATOM 0 HD1 PHE A 44 18.081 21.277 35.752 1.00 11.47 H new ATOM 0 HD2 PHE A 44 18.140 21.938 31.791 1.00 19.25 H new ATOM 0 HE1 PHE A 44 19.000 23.416 36.095 1.00 27.47 H new ATOM 0 HE2 PHE A 44 19.009 24.166 32.150 1.00 15.02 H new ATOM 0 HZ PHE A 44 19.449 24.893 34.315 1.00 24.74 H new ATOM 349 N SER A 45 14.651 18.040 31.912 1.00 26.15 N ATOM 350 CA SER A 45 13.935 16.680 31.483 1.00 31.21 C ATOM 351 C SER A 45 14.873 15.620 31.419 1.00 24.41 C ATOM 352 O SER A 45 14.486 14.435 31.804 1.00 23.99 O ATOM 353 CB SER A 45 13.330 16.784 30.059 1.00 45.40 C ATOM 354 OG SER A 45 14.377 17.321 29.096 1.00 42.85 O ATOM 0 H SER A 45 14.590 18.644 31.303 1.00 26.15 H new ATOM 0 HA SER A 45 13.247 16.516 32.147 1.00 31.21 H new ATOM 0 HB2 SER A 45 13.023 15.912 29.764 1.00 45.40 H new ATOM 0 HB3 SER A 45 12.556 17.369 30.069 1.00 45.40 H new ATOM 0 HG SER A 45 14.047 17.375 28.325 1.00 42.85 H new ATOM 355 N PHE A 46 16.126 16.050 31.057 1.00 24.99 N ATOM 356 CA PHE A 46 17.118 15.100 31.005 1.00 22.05 C ATOM 357 C PHE A 46 17.771 14.853 32.352 1.00 39.94 C ATOM 358 O PHE A 46 18.619 14.052 32.440 1.00 23.16 O ATOM 359 CB PHE A 46 18.150 15.512 29.881 1.00 16.33 C ATOM 360 CG PHE A 46 18.689 17.024 30.009 1.00 23.20 C ATOM 361 CD1 PHE A 46 18.229 17.927 29.133 1.00 19.59 C ATOM 362 CD2 PHE A 46 19.699 17.459 30.917 1.00 23.08 C ATOM 363 CE1 PHE A 46 18.789 19.276 29.121 1.00 24.34 C ATOM 364 CE2 PHE A 46 20.297 18.827 30.901 1.00 26.49 C ATOM 365 CZ PHE A 46 19.851 19.733 29.988 1.00 20.15 C ATOM 0 H PHE A 46 16.352 16.856 30.859 1.00 24.99 H new ATOM 0 HA PHE A 46 16.726 14.244 30.772 1.00 22.05 H new ATOM 0 HB2 PHE A 46 18.906 14.905 29.911 1.00 16.33 H new ATOM 0 HB3 PHE A 46 17.731 15.400 29.013 1.00 16.33 H new ATOM 0 HD1 PHE A 46 17.556 17.696 28.535 1.00 19.59 H new ATOM 0 HD2 PHE A 46 20.003 16.856 31.556 1.00 23.08 H new ATOM 0 HE1 PHE A 46 18.437 19.884 28.512 1.00 24.34 H new ATOM 0 HE2 PHE A 46 20.965 19.057 31.506 1.00 26.49 H new ATOM 0 HZ PHE A 46 20.207 20.590 29.926 1.00 20.15 H new ATOM 366 N LEU A 47 17.494 15.584 33.401 1.00 39.04 N ATOM 367 CA LEU A 47 18.120 15.337 34.706 1.00 18.33 C ATOM 368 C LEU A 47 16.966 14.679 35.604 1.00 32.80 C ATOM 369 O LEU A 47 17.187 13.974 36.577 1.00 20.12 O ATOM 370 CB LEU A 47 18.742 16.654 35.426 1.00 25.60 C ATOM 371 CG LEU A 47 19.845 17.550 34.617 1.00 47.84 C ATOM 372 CD1 LEU A 47 20.384 18.921 35.325 1.00 31.34 C ATOM 373 CD2 LEU A 47 20.983 16.743 34.277 1.00 31.88 C ATOM 0 H LEU A 47 16.940 16.241 33.393 1.00 39.04 H new ATOM 0 HA LEU A 47 18.892 14.762 34.590 1.00 18.33 H new ATOM 0 HB2 LEU A 47 18.003 17.238 35.658 1.00 25.60 H new ATOM 0 HB3 LEU A 47 19.150 16.368 36.258 1.00 25.60 H new ATOM 0 HG LEU A 47 19.344 17.853 33.844 1.00 47.84 H new ATOM 0 HD11 LEU A 47 21.029 19.354 34.744 1.00 31.34 H new ATOM 0 HD12 LEU A 47 19.637 19.520 35.481 1.00 31.34 H new ATOM 0 HD13 LEU A 47 20.806 18.704 36.171 1.00 31.34 H new ATOM 0 HD21 LEU A 47 21.631 17.283 33.798 1.00 31.88 H new ATOM 0 HD22 LEU A 47 21.388 16.396 35.087 1.00 31.88 H new ATOM 0 HD23 LEU A 47 20.700 16.004 33.716 1.00 31.88 H new ATOM 374 N LYS A 48 15.759 15.003 35.345 1.00 59.13 N ATOM 375 CA LYS A 48 14.554 14.435 36.116 1.00 60.26 C ATOM 376 C LYS A 48 14.453 12.907 36.028 1.00 48.59 C ATOM 377 O LYS A 48 14.376 12.336 34.909 1.00 52.45 O ATOM 378 CB LYS A 48 13.213 14.844 35.570 1.00 49.61 C ATOM 379 CG LYS A 48 13.005 16.315 35.796 0.00 0.00 C ATOM 380 CD LYS A 48 11.585 16.515 35.309 0.00 0.00 C ATOM 381 CE LYS A 48 11.328 16.078 33.843 0.00 0.00 C ATOM 382 NZ LYS A 48 9.967 16.292 33.426 0.00 0.00 N ATOM 0 H LYS A 48 15.543 15.558 34.725 1.00 59.13 H new ATOM 0 HA LYS A 48 14.723 14.779 37.007 1.00 60.26 H new ATOM 0 HB2 LYS A 48 13.164 14.643 34.622 1.00 49.61 H new ATOM 0 HB3 LYS A 48 12.509 14.338 36.004 1.00 49.61 H new ATOM 0 HG2 LYS A 48 13.105 16.556 36.730 0.00 0.00 H new ATOM 0 HG3 LYS A 48 13.639 16.852 35.295 0.00 0.00 H new ATOM 0 HD2 LYS A 48 10.985 16.021 35.890 0.00 0.00 H new ATOM 0 HD3 LYS A 48 11.356 17.453 35.398 0.00 0.00 H new ATOM 0 HE2 LYS A 48 11.923 16.569 33.255 0.00 0.00 H new ATOM 0 HE3 LYS A 48 11.547 15.138 33.747 0.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.870 16.027 32.582 0.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.419 15.824 33.948 0.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.769 17.157 33.489 0.00 0.00 H new ATOM 383 N GLY A 49 14.427 12.262 37.154 1.00 48.11 N ATOM 384 CA GLY A 49 14.171 10.793 37.084 1.00 58.75 C ATOM 385 C GLY A 49 15.488 10.237 37.180 1.00 46.69 C ATOM 386 O GLY A 49 15.503 9.140 37.768 1.00 54.53 O ATOM 0 H GLY A 49 14.543 12.597 37.937 1.00 48.11 H new ATOM 0 HA2 GLY A 49 13.600 10.492 37.808 1.00 58.75 H new ATOM 0 HA3 GLY A 49 13.734 10.543 36.255 1.00 58.75 H new ATOM 387 N THR A 50 16.581 11.050 36.835 1.00 44.61 N ATOM 388 CA THR A 50 17.926 10.644 37.123 1.00 59.60 C ATOM 389 C THR A 50 18.243 10.707 38.634 1.00 59.26 C ATOM 390 O THR A 50 17.567 11.366 39.383 1.00 55.93 O ATOM 391 CB THR A 50 19.111 11.498 36.320 1.00 43.45 C ATOM 392 OG1 THR A 50 19.456 12.810 36.919 1.00 38.21 O ATOM 393 CG2 THR A 50 18.789 11.735 34.848 1.00 40.21 C ATOM 0 H THR A 50 16.512 11.813 36.444 1.00 44.61 H new ATOM 0 HA THR A 50 17.950 9.730 36.800 1.00 59.60 H new ATOM 0 HB THR A 50 19.878 10.911 36.408 1.00 43.45 H new ATOM 0 HG1 THR A 50 18.885 13.382 36.690 1.00 38.21 H new ATOM 0 HG21 THR A 50 19.511 12.234 34.435 1.00 40.21 H new ATOM 0 HG22 THR A 50 18.687 10.882 34.397 1.00 40.21 H new ATOM 0 HG23 THR A 50 17.964 12.240 34.774 1.00 40.21 H new ATOM 394 N SER A 51 19.397 10.332 39.028 1.00 45.37 N ATOM 395 CA SER A 51 20.006 10.721 40.363 1.00 52.19 C ATOM 396 C SER A 51 21.305 11.711 40.236 1.00 67.66 C ATOM 397 O SER A 51 21.462 12.880 40.773 1.00 55.84 O ATOM 398 CB SER A 51 20.466 9.495 41.043 1.00 54.64 C ATOM 399 OG SER A 51 21.096 9.911 42.293 0.00 0.00 O ATOM 0 H SER A 51 19.909 9.828 38.555 1.00 45.37 H new ATOM 0 HA SER A 51 19.315 11.196 40.851 1.00 52.19 H new ATOM 0 HB2 SER A 51 19.721 8.898 41.216 1.00 54.64 H new ATOM 0 HB3 SER A 51 21.095 9.009 40.487 1.00 54.64 H new ATOM 0 HG SER A 51 21.370 9.234 42.708 0.00 0.00 H new ATOM 400 N GLU A 52 22.142 11.243 39.397 1.00 45.45 N ATOM 401 CA GLU A 52 23.391 12.095 38.954 1.00 49.26 C ATOM 402 C GLU A 52 23.215 12.764 37.593 1.00 56.66 C ATOM 403 O GLU A 52 22.432 12.137 36.738 1.00 41.75 O ATOM 404 CB GLU A 52 24.520 11.219 38.899 1.00 32.95 C ATOM 405 CG GLU A 52 24.796 10.611 40.267 0.00 0.00 C ATOM 406 CD GLU A 52 25.981 9.827 40.112 0.00 0.00 C ATOM 407 OE1 GLU A 52 26.802 10.117 39.166 0.00 0.00 O ATOM 408 OE2 GLU A 52 26.322 9.150 41.079 0.00 0.00 O ATOM 0 H GLU A 52 22.085 10.466 39.032 1.00 45.45 H new ATOM 0 HA GLU A 52 23.509 12.808 39.601 1.00 49.26 H new ATOM 0 HB2 GLU A 52 24.357 10.514 38.253 1.00 32.95 H new ATOM 0 HB3 GLU A 52 25.300 11.708 38.594 1.00 32.95 H new ATOM 0 HG2 GLU A 52 24.921 11.302 40.936 0.00 0.00 H new ATOM 0 HG3 GLU A 52 24.052 10.063 40.561 0.00 0.00 H new ATOM 409 N VAL A 53 24.003 13.952 37.365 1.00 26.69 N ATOM 410 CA VAL A 53 24.120 14.558 36.036 1.00 35.26 C ATOM 411 C VAL A 53 24.719 13.609 35.063 1.00 34.81 C ATOM 412 O VAL A 53 25.841 13.204 35.286 1.00 16.75 O ATOM 413 CB VAL A 53 24.922 16.004 36.147 1.00 31.82 C ATOM 414 CG1 VAL A 53 25.191 16.797 34.837 1.00 16.73 C ATOM 415 CG2 VAL A 53 24.342 16.872 37.206 1.00 25.51 C ATOM 0 H VAL A 53 24.439 14.363 37.982 1.00 26.69 H new ATOM 0 HA VAL A 53 23.237 14.755 35.687 1.00 35.26 H new ATOM 0 HB VAL A 53 25.815 15.722 36.399 1.00 31.82 H new ATOM 0 HG11 VAL A 53 25.664 17.617 35.047 1.00 16.73 H new ATOM 0 HG12 VAL A 53 25.730 16.258 34.237 1.00 16.73 H new ATOM 0 HG13 VAL A 53 24.347 17.011 34.409 1.00 16.73 H new ATOM 0 HG21 VAL A 53 24.833 17.708 37.245 1.00 25.51 H new ATOM 0 HG22 VAL A 53 23.411 17.053 37.002 1.00 25.51 H new ATOM 0 HG23 VAL A 53 24.403 16.422 38.063 1.00 25.51 H new ATOM 416 N PRO A 54 23.903 13.136 34.072 1.00 22.26 N ATOM 417 CA PRO A 54 24.335 12.304 32.967 1.00 10.40 C ATOM 418 C PRO A 54 25.634 12.997 32.302 1.00 26.75 C ATOM 419 O PRO A 54 25.902 14.264 32.242 1.00 23.58 O ATOM 420 CB PRO A 54 23.243 12.231 31.909 1.00 5.37 C ATOM 421 CG PRO A 54 22.289 13.218 32.278 1.00 13.79 C ATOM 422 CD PRO A 54 22.636 13.656 33.723 1.00 17.56 C ATOM 0 HA PRO A 54 24.533 11.411 33.289 1.00 10.40 H new ATOM 0 HB2 PRO A 54 23.601 12.405 31.025 1.00 5.37 H new ATOM 0 HB3 PRO A 54 22.840 11.349 31.883 1.00 5.37 H new ATOM 0 HG2 PRO A 54 22.324 13.974 31.671 1.00 13.79 H new ATOM 0 HG3 PRO A 54 21.389 12.860 32.234 1.00 13.79 H new ATOM 0 HD2 PRO A 54 22.642 14.624 33.787 1.00 17.56 H new ATOM 0 HD3 PRO A 54 21.961 13.335 34.341 1.00 17.56 H new ATOM 423 N GLN A 55 26.492 12.216 31.909 1.00 16.62 N ATOM 424 CA GLN A 55 27.779 12.845 31.329 1.00 19.71 C ATOM 425 C GLN A 55 27.906 12.761 29.810 1.00 13.73 C ATOM 426 O GLN A 55 28.777 13.556 29.187 1.00 29.87 O ATOM 427 CB GLN A 55 28.819 12.082 31.938 1.00 22.23 C ATOM 428 CG GLN A 55 28.484 11.864 33.415 1.00 34.72 C ATOM 429 CD GLN A 55 29.621 11.291 34.102 1.00 48.31 C ATOM 430 OE1 GLN A 55 30.799 11.556 33.640 1.00 56.61 O ATOM 431 NE2 GLN A 55 29.307 10.906 35.332 1.00 54.12 N ATOM 0 H GLN A 55 26.450 11.357 31.923 1.00 16.62 H new ATOM 0 HA GLN A 55 27.799 13.797 31.513 1.00 19.71 H new ATOM 0 HB2 GLN A 55 28.915 11.228 31.487 1.00 22.23 H new ATOM 0 HB3 GLN A 55 29.667 12.545 31.852 1.00 22.23 H new ATOM 0 HG2 GLN A 55 28.240 12.708 33.827 1.00 34.72 H new ATOM 0 HG3 GLN A 55 27.717 11.276 33.497 1.00 34.72 H new ATOM 0 HE21 GLN A 55 28.486 10.754 35.539 1.00 54.12 H new ATOM 0 HE22 GLN A 55 29.924 10.808 35.923 1.00 54.12 H new ATOM 432 N ASN A 56 27.009 11.902 29.165 1.00 16.09 N ATOM 433 CA ASN A 56 27.046 11.804 27.691 1.00 9.31 C ATOM 434 C ASN A 56 25.624 11.843 27.152 1.00 10.84 C ATOM 435 O ASN A 56 25.078 11.066 26.249 1.00 13.63 O ATOM 436 CB ASN A 56 27.553 10.482 27.235 1.00 9.57 C ATOM 437 CG ASN A 56 29.013 10.488 27.673 1.00 42.57 C ATOM 438 OD1 ASN A 56 29.272 9.968 28.785 1.00 27.08 O ATOM 439 ND2 ASN A 56 29.845 11.389 26.986 1.00 21.63 N ATOM 0 H ASN A 56 26.421 11.411 29.557 1.00 16.09 H new ATOM 0 HA ASN A 56 27.610 12.531 27.384 1.00 9.31 H new ATOM 0 HB2 ASN A 56 27.061 9.752 27.642 1.00 9.57 H new ATOM 0 HB3 ASN A 56 27.469 10.380 26.274 1.00 9.57 H new ATOM 0 HD21 ASN A 56 30.599 11.624 27.327 1.00 21.63 H new ATOM 0 HD22 ASN A 56 29.600 11.705 26.225 1.00 21.63 H new ATOM 440 N ASN A 57 25.021 12.770 27.679 1.00 9.30 N ATOM 441 CA ASN A 57 23.691 12.993 27.239 1.00 7.36 C ATOM 442 C ASN A 57 23.824 14.070 26.182 1.00 12.10 C ATOM 443 O ASN A 57 24.219 15.241 26.561 1.00 15.49 O ATOM 444 CB ASN A 57 22.840 13.422 28.412 1.00 14.36 C ATOM 445 CG ASN A 57 21.383 13.317 27.909 1.00 11.85 C ATOM 446 OD1 ASN A 57 21.048 14.276 27.248 1.00 21.26 O ATOM 447 ND2 ASN A 57 20.470 12.395 28.502 1.00 13.23 N ATOM 0 H ASN A 57 25.323 13.298 28.287 1.00 9.30 H new ATOM 0 HA ASN A 57 23.257 12.206 26.874 1.00 7.36 H new ATOM 0 HB2 ASN A 57 22.988 12.850 29.181 1.00 14.36 H new ATOM 0 HB3 ASN A 57 23.052 14.328 28.687 1.00 14.36 H new ATOM 0 HD21 ASN A 57 19.623 12.503 28.400 1.00 13.23 H new ATOM 0 HD22 ASN A 57 20.767 11.731 28.962 1.00 13.23 H new ATOM 448 N PRO A 58 23.353 13.704 24.982 1.00 30.11 N ATOM 449 CA PRO A 58 23.412 14.635 23.833 1.00 23.51 C ATOM 450 C PRO A 58 22.604 15.807 24.019 1.00 13.13 C ATOM 451 O PRO A 58 22.962 16.854 23.343 1.00 15.83 O ATOM 452 CB PRO A 58 22.924 13.807 22.557 1.00 14.50 C ATOM 453 CG PRO A 58 22.468 12.352 23.048 1.00 22.65 C ATOM 454 CD PRO A 58 22.872 12.291 24.540 1.00 35.37 C ATOM 0 HA PRO A 58 24.318 14.965 23.726 1.00 23.51 H new ATOM 0 HB2 PRO A 58 22.188 14.262 22.120 1.00 14.50 H new ATOM 0 HB3 PRO A 58 23.640 13.735 21.906 1.00 14.50 H new ATOM 0 HG2 PRO A 58 21.513 12.227 22.937 1.00 22.65 H new ATOM 0 HG3 PRO A 58 22.907 11.655 22.536 1.00 22.65 H new ATOM 0 HD2 PRO A 58 22.119 12.007 25.081 1.00 35.37 H new ATOM 0 HD3 PRO A 58 23.578 11.639 24.671 1.00 35.37 H new ATOM 455 N GLU A 59 21.543 15.670 24.845 1.00 13.21 N ATOM 456 CA GLU A 59 20.704 16.760 24.939 1.00 17.14 C ATOM 457 C GLU A 59 21.355 17.863 25.872 1.00 16.07 C ATOM 458 O GLU A 59 21.575 19.075 25.481 1.00 16.40 O ATOM 459 CB GLU A 59 19.352 16.298 25.590 1.00 14.29 C ATOM 460 CG GLU A 59 18.249 15.691 24.606 1.00 61.57 C ATOM 461 CD GLU A 59 16.884 15.755 25.281 1.00 69.29 C ATOM 462 OE1 GLU A 59 16.464 16.884 25.353 1.00 58.49 O ATOM 463 OE2 GLU A 59 16.353 14.795 26.016 1.00 54.18 O ATOM 0 H GLU A 59 21.340 14.978 25.314 1.00 13.21 H new ATOM 0 HA GLU A 59 20.554 17.128 24.054 1.00 17.14 H new ATOM 0 HB2 GLU A 59 19.554 15.632 26.266 1.00 14.29 H new ATOM 0 HB3 GLU A 59 18.962 17.058 26.049 1.00 14.29 H new ATOM 0 HG2 GLU A 59 18.234 16.189 23.774 1.00 61.57 H new ATOM 0 HG3 GLU A 59 18.469 14.773 24.383 1.00 61.57 H new ATOM 464 N LEU A 60 21.878 17.333 26.899 1.00 10.45 N ATOM 465 CA LEU A 60 22.661 18.149 27.856 1.00 12.78 C ATOM 466 C LEU A 60 23.854 18.998 27.130 1.00 22.29 C ATOM 467 O LEU A 60 24.135 20.230 27.398 1.00 16.34 O ATOM 468 CB LEU A 60 23.103 17.237 29.014 1.00 17.21 C ATOM 469 CG LEU A 60 23.946 17.966 30.183 1.00 20.18 C ATOM 470 CD1 LEU A 60 23.803 17.088 31.446 1.00 13.44 C ATOM 471 CD2 LEU A 60 25.484 18.311 29.863 1.00 14.60 C ATOM 0 H LEU A 60 21.816 16.499 27.101 1.00 10.45 H new ATOM 0 HA LEU A 60 22.111 18.852 28.236 1.00 12.78 H new ATOM 0 HB2 LEU A 60 22.314 16.834 29.408 1.00 17.21 H new ATOM 0 HB3 LEU A 60 23.639 16.515 28.651 1.00 17.21 H new ATOM 0 HG LEU A 60 23.570 18.853 30.299 1.00 20.18 H new ATOM 0 HD11 LEU A 60 24.297 17.490 32.178 1.00 13.44 H new ATOM 0 HD12 LEU A 60 22.866 17.019 31.688 1.00 13.44 H new ATOM 0 HD13 LEU A 60 24.156 16.203 31.267 1.00 13.44 H new ATOM 0 HD21 LEU A 60 25.886 18.744 30.633 1.00 14.60 H new ATOM 0 HD22 LEU A 60 25.965 17.492 29.665 1.00 14.60 H new ATOM 0 HD23 LEU A 60 25.530 18.905 29.098 1.00 14.60 H new ATOM 472 N GLN A 61 24.577 18.310 26.328 1.00 19.21 N ATOM 473 CA GLN A 61 25.814 18.926 25.670 1.00 5.73 C ATOM 474 C GLN A 61 25.548 20.023 24.701 1.00 13.79 C ATOM 475 O GLN A 61 26.286 21.173 24.676 1.00 8.10 O ATOM 476 CB GLN A 61 26.553 17.859 24.974 1.00 8.70 C ATOM 477 CG GLN A 61 27.125 16.964 26.012 1.00 6.68 C ATOM 478 CD GLN A 61 27.850 15.935 25.280 1.00 15.77 C ATOM 479 OE1 GLN A 61 27.497 15.793 24.046 1.00 19.02 O flip ATOM 480 NE2 GLN A 61 28.225 14.980 25.940 1.00 8.87 N flip ATOM 0 H GLN A 61 24.423 17.491 26.114 1.00 19.21 H new ATOM 0 HA GLN A 61 26.319 19.331 26.392 1.00 5.73 H new ATOM 0 HB2 GLN A 61 25.963 17.364 24.384 1.00 8.70 H new ATOM 0 HB3 GLN A 61 27.256 18.235 24.422 1.00 8.70 H new ATOM 0 HG2 GLN A 61 27.716 17.452 26.607 1.00 6.68 H new ATOM 0 HG3 GLN A 61 26.427 16.575 26.562 1.00 6.68 H new ATOM 0 HE21 GLN A 61 28.457 15.089 26.761 1.00 8.87 H new ATOM 0 HE22 GLN A 61 28.257 14.198 25.584 1.00 8.87 H new ATOM 481 N ALA A 62 24.516 19.617 23.906 1.00 15.26 N ATOM 482 CA ALA A 62 24.120 20.507 22.869 1.00 15.27 C ATOM 483 C ALA A 62 23.548 21.725 23.454 1.00 25.27 C ATOM 484 O ALA A 62 23.881 22.875 22.976 1.00 14.85 O ATOM 485 CB ALA A 62 23.037 19.694 22.015 1.00 10.85 C ATOM 0 H ALA A 62 24.081 18.878 23.969 1.00 15.26 H new ATOM 0 HA ALA A 62 24.860 20.792 22.311 1.00 15.27 H new ATOM 0 HB1 ALA A 62 22.721 20.247 21.283 1.00 10.85 H new ATOM 0 HB2 ALA A 62 23.444 18.889 21.659 1.00 10.85 H new ATOM 0 HB3 ALA A 62 22.290 19.454 22.585 1.00 10.85 H new ATOM 486 N HIS A 63 22.752 21.515 24.494 1.00 7.05 N ATOM 487 CA HIS A 63 22.210 22.670 25.127 1.00 9.76 C ATOM 488 C HIS A 63 23.258 23.629 25.951 1.00 19.81 C ATOM 489 O HIS A 63 23.377 24.885 25.756 1.00 12.78 O ATOM 490 CB HIS A 63 21.099 22.011 26.056 1.00 12.28 C ATOM 491 CG HIS A 63 19.825 21.527 25.213 1.00 44.52 C ATOM 492 ND1 HIS A 63 18.588 20.887 25.807 1.00 47.58 N ATOM 493 CD2 HIS A 63 19.644 21.620 23.871 1.00 48.14 C ATOM 494 CE1 HIS A 63 17.625 20.566 24.763 1.00 43.54 C ATOM 495 NE2 HIS A 63 18.298 21.038 23.545 1.00 48.62 N ATOM 0 H HIS A 63 22.531 20.752 24.824 1.00 7.05 H new ATOM 0 HA HIS A 63 21.887 23.317 24.480 1.00 9.76 H new ATOM 0 HB2 HIS A 63 21.480 21.254 26.528 1.00 12.28 H new ATOM 0 HB3 HIS A 63 20.818 22.652 26.727 1.00 12.28 H new ATOM 0 HD2 HIS A 63 20.247 21.980 23.261 1.00 48.14 H new ATOM 0 HE1 HIS A 63 16.791 20.163 24.846 1.00 43.54 H new ATOM 0 HE2 HIS A 63 17.966 20.988 22.753 1.00 48.62 H new ATOM 496 N ALA A 64 24.037 23.053 26.820 1.00 15.13 N ATOM 497 CA ALA A 64 25.098 23.908 27.604 1.00 10.67 C ATOM 498 C ALA A 64 26.173 24.682 26.667 1.00 10.18 C ATOM 499 O ALA A 64 26.741 25.865 26.942 1.00 19.94 O ATOM 500 CB ALA A 64 25.831 23.096 28.574 1.00 13.49 C ATOM 0 H ALA A 64 24.025 22.215 27.013 1.00 15.13 H new ATOM 0 HA ALA A 64 24.567 24.584 28.053 1.00 10.67 H new ATOM 0 HB1 ALA A 64 26.476 23.651 29.040 1.00 13.49 H new ATOM 0 HB2 ALA A 64 25.209 22.717 29.215 1.00 13.49 H new ATOM 0 HB3 ALA A 64 26.295 22.380 28.112 1.00 13.49 H new ATOM 501 N GLY A 65 26.476 24.022 25.590 1.00 17.11 N ATOM 502 CA GLY A 65 27.481 24.690 24.640 1.00 14.83 C ATOM 503 C GLY A 65 26.980 25.897 23.953 1.00 30.49 C ATOM 504 O GLY A 65 27.844 26.920 23.759 1.00 18.42 O ATOM 0 H GLY A 65 26.172 23.252 25.357 1.00 17.11 H new ATOM 0 HA2 GLY A 65 28.275 24.927 25.145 1.00 14.83 H new ATOM 0 HA3 GLY A 65 27.753 24.043 23.971 1.00 14.83 H new ATOM 505 N LYS A 66 25.645 25.822 23.652 1.00 24.65 N ATOM 506 CA LYS A 66 25.029 26.978 23.072 1.00 11.16 C ATOM 507 C LYS A 66 25.095 28.168 24.040 1.00 14.16 C ATOM 508 O LYS A 66 25.062 29.337 23.576 1.00 20.87 O ATOM 509 CB LYS A 66 23.523 26.668 22.677 1.00 13.14 C ATOM 510 CG LYS A 66 23.303 25.609 21.549 1.00 59.43 C ATOM 511 CD LYS A 66 21.773 25.100 21.327 1.00 63.14 C ATOM 512 CE LYS A 66 21.025 26.283 20.937 1.00 65.03 C ATOM 513 NZ LYS A 66 19.601 25.796 20.623 0.00 0.00 N ATOM 0 H LYS A 66 25.135 25.141 23.779 1.00 24.65 H new ATOM 0 HA LYS A 66 25.516 27.211 22.266 1.00 11.16 H new ATOM 0 HB2 LYS A 66 23.056 26.366 23.472 1.00 13.14 H new ATOM 0 HB3 LYS A 66 23.104 27.498 22.400 1.00 13.14 H new ATOM 0 HG2 LYS A 66 23.624 25.983 20.713 1.00 59.43 H new ATOM 0 HG3 LYS A 66 23.856 24.836 21.745 1.00 59.43 H new ATOM 0 HD2 LYS A 66 21.728 24.416 20.641 1.00 63.14 H new ATOM 0 HD3 LYS A 66 21.413 24.711 22.139 1.00 63.14 H new ATOM 0 HE2 LYS A 66 21.018 26.941 21.650 1.00 65.03 H new ATOM 0 HE3 LYS A 66 21.426 26.708 20.163 1.00 65.03 H new ATOM 0 HZ1 LYS A 66 19.098 26.488 20.377 0.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.630 25.201 19.962 0.00 0.00 H new ATOM 0 HZ3 LYS A 66 19.250 25.417 21.348 0.00 0.00 H new ATOM 514 N VAL A 67 24.889 27.836 25.294 1.00 16.13 N ATOM 515 CA VAL A 67 24.985 28.908 26.354 1.00 22.00 C ATOM 516 C VAL A 67 26.354 29.813 26.254 1.00 6.94 C ATOM 517 O VAL A 67 26.370 31.062 26.107 1.00 22.92 O ATOM 518 CB VAL A 67 24.854 28.339 27.807 1.00 14.92 C ATOM 519 CG1 VAL A 67 25.092 29.476 28.840 1.00 12.56 C ATOM 520 CG2 VAL A 67 23.464 27.476 28.085 1.00 18.05 C ATOM 0 H VAL A 67 24.700 27.046 25.576 1.00 16.13 H new ATOM 0 HA VAL A 67 24.227 29.486 26.171 1.00 22.00 H new ATOM 0 HB VAL A 67 25.550 27.673 27.918 1.00 14.92 H new ATOM 0 HG11 VAL A 67 25.010 29.120 29.738 1.00 12.56 H new ATOM 0 HG12 VAL A 67 25.982 29.843 28.718 1.00 12.56 H new ATOM 0 HG13 VAL A 67 24.433 30.176 28.709 1.00 12.56 H new ATOM 0 HG21 VAL A 67 23.458 27.159 29.002 1.00 18.05 H new ATOM 0 HG22 VAL A 67 22.694 28.046 27.935 1.00 18.05 H new ATOM 0 HG23 VAL A 67 23.427 26.718 27.481 1.00 18.05 H new ATOM 521 N PHE A 68 27.421 29.176 26.261 1.00 17.38 N ATOM 522 CA PHE A 68 28.830 29.878 26.270 1.00 4.44 C ATOM 523 C PHE A 68 29.203 30.658 24.996 1.00 13.57 C ATOM 524 O PHE A 68 29.928 31.804 25.103 1.00 23.13 O ATOM 525 CB PHE A 68 29.837 28.889 26.449 1.00 3.00 C ATOM 526 CG PHE A 68 29.922 28.538 27.937 1.00 19.23 C ATOM 527 CD1 PHE A 68 30.993 29.184 28.677 1.00 17.96 C ATOM 528 CD2 PHE A 68 28.937 27.607 28.539 1.00 9.37 C ATOM 529 CE1 PHE A 68 31.143 28.855 30.014 1.00 10.67 C ATOM 530 CE2 PHE A 68 29.093 27.262 29.873 1.00 11.41 C ATOM 531 CZ PHE A 68 30.207 27.866 30.600 1.00 26.37 C ATOM 0 H PHE A 68 27.460 28.317 26.261 1.00 17.38 H new ATOM 0 HA PHE A 68 28.774 30.525 26.991 1.00 4.44 H new ATOM 0 HB2 PHE A 68 29.627 28.098 25.928 1.00 3.00 H new ATOM 0 HB3 PHE A 68 30.692 29.219 26.132 1.00 3.00 H new ATOM 0 HD1 PHE A 68 31.559 29.798 28.267 1.00 17.96 H new ATOM 0 HD2 PHE A 68 28.234 27.264 28.036 1.00 9.37 H new ATOM 0 HE1 PHE A 68 31.812 29.244 30.530 1.00 10.67 H new ATOM 0 HE2 PHE A 68 28.510 26.668 30.289 1.00 11.41 H new ATOM 0 HZ PHE A 68 30.337 27.614 31.486 1.00 26.37 H new ATOM 532 N LYS A 69 28.575 30.085 23.906 1.00 11.06 N ATOM 533 CA LYS A 69 28.770 30.681 22.579 1.00 8.74 C ATOM 534 C LYS A 69 28.126 31.950 22.414 1.00 4.61 C ATOM 535 O LYS A 69 28.721 32.911 21.748 1.00 13.62 O ATOM 536 CB LYS A 69 28.242 29.746 21.433 1.00 19.11 C ATOM 537 CG LYS A 69 28.867 30.296 20.087 1.00 17.45 C ATOM 538 CD LYS A 69 27.919 29.823 18.924 1.00 48.12 C ATOM 539 CE LYS A 69 26.551 30.353 19.141 1.00 62.83 C ATOM 540 NZ LYS A 69 25.732 30.170 17.919 0.00 0.00 N ATOM 0 H LYS A 69 28.066 29.392 23.933 1.00 11.06 H new ATOM 0 HA LYS A 69 29.730 30.802 22.517 1.00 8.74 H new ATOM 0 HB2 LYS A 69 28.508 28.826 21.587 1.00 19.11 H new ATOM 0 HB3 LYS A 69 27.273 29.759 21.395 1.00 19.11 H new ATOM 0 HG2 LYS A 69 28.931 31.264 20.107 1.00 17.45 H new ATOM 0 HG3 LYS A 69 29.766 29.954 19.960 1.00 17.45 H new ATOM 0 HD2 LYS A 69 28.262 30.131 18.071 1.00 48.12 H new ATOM 0 HD3 LYS A 69 27.897 28.854 18.888 1.00 48.12 H new ATOM 0 HE2 LYS A 69 26.135 29.896 19.889 1.00 62.83 H new ATOM 0 HE3 LYS A 69 26.594 31.294 19.372 1.00 62.83 H new ATOM 0 HZ1 LYS A 69 24.914 30.491 18.059 0.00 0.00 H new ATOM 0 HZ2 LYS A 69 26.109 30.606 17.241 0.00 0.00 H new ATOM 0 HZ3 LYS A 69 25.681 29.303 17.723 0.00 0.00 H new ATOM 541 N LEU A 70 27.020 31.980 23.059 1.00 3.85 N ATOM 542 CA LEU A 70 26.285 33.123 23.020 1.00 5.70 C ATOM 543 C LEU A 70 26.940 34.264 23.923 1.00 15.95 C ATOM 544 O LEU A 70 26.995 35.438 23.492 1.00 12.74 O ATOM 545 CB LEU A 70 24.829 32.763 23.574 1.00 10.15 C ATOM 546 CG LEU A 70 23.937 31.942 22.550 1.00 6.84 C ATOM 547 CD1 LEU A 70 22.505 31.496 23.140 1.00 24.77 C ATOM 548 CD2 LEU A 70 23.879 32.768 21.278 1.00 23.91 C ATOM 0 H LEU A 70 26.691 31.335 23.523 1.00 3.85 H new ATOM 0 HA LEU A 70 26.246 33.462 22.112 1.00 5.70 H new ATOM 0 HB2 LEU A 70 24.921 32.250 24.392 1.00 10.15 H new ATOM 0 HB3 LEU A 70 24.368 33.585 23.805 1.00 10.15 H new ATOM 0 HG LEU A 70 24.338 31.079 22.360 1.00 6.84 H new ATOM 0 HD11 LEU A 70 22.016 31.001 22.464 1.00 24.77 H new ATOM 0 HD12 LEU A 70 22.637 30.934 23.919 1.00 24.77 H new ATOM 0 HD13 LEU A 70 21.999 32.284 23.392 1.00 24.77 H new ATOM 0 HD21 LEU A 70 23.341 32.306 20.616 1.00 23.91 H new ATOM 0 HD22 LEU A 70 23.482 33.632 21.471 1.00 23.91 H new ATOM 0 HD23 LEU A 70 24.777 32.895 20.933 1.00 23.91 H new ATOM 549 N VAL A 71 27.477 33.935 25.062 1.00 9.87 N ATOM 550 CA VAL A 71 28.306 35.010 25.842 1.00 11.06 C ATOM 551 C VAL A 71 29.607 35.679 25.124 1.00 15.97 C ATOM 552 O VAL A 71 30.001 36.935 25.207 1.00 15.95 O ATOM 553 CB VAL A 71 28.581 34.505 27.229 1.00 7.93 C ATOM 554 CG1 VAL A 71 29.495 35.644 28.032 1.00 13.30 C ATOM 555 CG2 VAL A 71 27.247 34.042 28.030 1.00 4.62 C ATOM 0 H VAL A 71 27.418 33.163 25.437 1.00 9.87 H new ATOM 0 HA VAL A 71 27.730 35.790 25.861 1.00 11.06 H new ATOM 0 HB VAL A 71 29.092 33.683 27.171 1.00 7.93 H new ATOM 0 HG11 VAL A 71 29.682 35.333 28.932 1.00 13.30 H new ATOM 0 HG12 VAL A 71 30.330 35.782 27.558 1.00 13.30 H new ATOM 0 HG13 VAL A 71 29.006 36.480 28.075 1.00 13.30 H new ATOM 0 HG21 VAL A 71 27.493 33.728 28.914 1.00 4.62 H new ATOM 0 HG22 VAL A 71 26.641 34.795 28.112 1.00 4.62 H new ATOM 0 HG23 VAL A 71 26.809 33.326 27.543 1.00 4.62 H new ATOM 556 N TYR A 72 30.297 34.831 24.497 1.00 20.78 N ATOM 557 CA TYR A 72 31.475 35.240 23.633 1.00 20.81 C ATOM 558 C TYR A 72 31.149 36.145 22.484 1.00 25.56 C ATOM 559 O TYR A 72 31.927 37.218 22.209 1.00 22.87 O ATOM 560 CB TYR A 72 32.128 33.992 23.172 1.00 13.09 C ATOM 561 CG TYR A 72 32.878 34.245 21.844 1.00 8.73 C ATOM 562 CD1 TYR A 72 32.337 33.579 20.726 1.00 21.01 C ATOM 563 CD2 TYR A 72 34.033 35.189 21.752 1.00 15.89 C ATOM 564 CE1 TYR A 72 32.986 33.797 19.515 1.00 21.64 C ATOM 565 CE2 TYR A 72 34.686 35.420 20.548 1.00 23.61 C ATOM 566 CZ TYR A 72 34.177 34.694 19.441 1.00 21.85 C ATOM 567 OH TYR A 72 34.876 34.856 18.195 1.00 30.32 O ATOM 0 H TYR A 72 30.149 33.984 24.517 1.00 20.78 H new ATOM 0 HA TYR A 72 32.067 35.783 24.177 1.00 20.81 H new ATOM 0 HB2 TYR A 72 32.748 33.675 23.847 1.00 13.09 H new ATOM 0 HB3 TYR A 72 31.463 33.297 23.049 1.00 13.09 H new ATOM 0 HD1 TYR A 72 31.591 33.027 20.794 1.00 21.01 H new ATOM 0 HD2 TYR A 72 34.321 35.631 22.518 1.00 15.89 H new ATOM 0 HE1 TYR A 72 32.675 33.380 18.744 1.00 21.64 H new ATOM 0 HE2 TYR A 72 35.403 36.007 20.473 1.00 23.61 H new ATOM 0 HH TYR A 72 35.519 35.386 18.301 1.00 30.32 H new ATOM 568 N GLU A 73 30.002 35.758 21.823 1.00 19.72 N ATOM 569 CA GLU A 73 29.650 36.590 20.715 1.00 20.67 C ATOM 570 C GLU A 73 29.215 37.929 21.162 1.00 19.63 C ATOM 571 O GLU A 73 29.537 38.958 20.438 1.00 19.05 O ATOM 572 CB GLU A 73 28.482 35.796 19.918 1.00 19.12 C ATOM 573 CG GLU A 73 28.921 34.580 19.232 1.00 29.33 C ATOM 574 CD GLU A 73 27.722 33.828 18.436 1.00 48.76 C ATOM 575 OE1 GLU A 73 28.016 33.030 17.537 1.00 35.98 O ATOM 576 OE2 GLU A 73 26.563 34.219 18.437 1.00 36.90 O ATOM 0 H GLU A 73 29.492 35.089 22.002 1.00 19.72 H new ATOM 0 HA GLU A 73 30.410 36.753 20.135 1.00 20.67 H new ATOM 0 HB2 GLU A 73 27.781 35.562 20.547 1.00 19.12 H new ATOM 0 HB3 GLU A 73 28.089 36.396 19.265 1.00 19.12 H new ATOM 0 HG2 GLU A 73 29.626 34.806 18.605 1.00 29.33 H new ATOM 0 HG3 GLU A 73 29.303 33.969 19.881 1.00 29.33 H new ATOM 577 N ALA A 74 28.577 37.925 22.326 1.00 11.87 N ATOM 578 CA ALA A 74 28.180 39.163 22.956 1.00 12.13 C ATOM 579 C ALA A 74 29.428 40.162 23.284 1.00 12.47 C ATOM 580 O ALA A 74 29.415 41.391 23.077 1.00 13.31 O ATOM 581 CB ALA A 74 27.552 38.830 24.346 1.00 19.16 C ATOM 0 H ALA A 74 28.367 37.214 22.763 1.00 11.87 H new ATOM 0 HA ALA A 74 27.575 39.598 22.334 1.00 12.13 H new ATOM 0 HB1 ALA A 74 27.279 39.652 24.783 1.00 19.16 H new ATOM 0 HB2 ALA A 74 26.779 38.258 24.223 1.00 19.16 H new ATOM 0 HB3 ALA A 74 28.207 38.373 24.896 1.00 19.16 H new ATOM 582 N ALA A 75 30.469 39.604 23.717 1.00 17.23 N ATOM 583 CA ALA A 75 31.808 40.407 24.030 1.00 10.58 C ATOM 584 C ALA A 75 32.537 41.063 22.790 1.00 10.16 C ATOM 585 O ALA A 75 33.017 42.305 22.776 1.00 15.79 O ATOM 586 CB ALA A 75 32.750 39.566 24.745 1.00 4.95 C ATOM 0 H ALA A 75 30.525 38.760 23.871 1.00 17.23 H new ATOM 0 HA ALA A 75 31.508 41.152 24.574 1.00 10.58 H new ATOM 0 HB1 ALA A 75 33.559 40.069 24.928 1.00 4.95 H new ATOM 0 HB2 ALA A 75 32.354 39.275 25.582 1.00 4.95 H new ATOM 0 HB3 ALA A 75 32.967 38.791 24.204 1.00 4.95 H new ATOM 587 N ILE A 76 32.493 40.339 21.708 1.00 15.45 N ATOM 588 CA ILE A 76 32.985 41.015 20.414 1.00 11.07 C ATOM 589 C ILE A 76 32.114 42.041 19.900 1.00 22.74 C ATOM 590 O ILE A 76 32.621 43.203 19.523 1.00 20.92 O ATOM 591 CB ILE A 76 32.988 39.875 19.385 1.00 20.36 C ATOM 592 CG1 ILE A 76 33.837 38.835 19.963 1.00 19.19 C ATOM 593 CG2 ILE A 76 33.520 40.393 18.007 1.00 9.25 C ATOM 594 CD1 ILE A 76 35.347 39.417 19.915 1.00 17.58 C ATOM 0 H ILE A 76 32.219 39.526 21.644 1.00 15.45 H new ATOM 0 HA ILE A 76 33.836 41.448 20.586 1.00 11.07 H new ATOM 0 HB ILE A 76 32.101 39.526 19.206 1.00 20.36 H new ATOM 0 HG12 ILE A 76 33.570 38.635 20.874 1.00 19.19 H new ATOM 0 HG13 ILE A 76 33.767 38.009 19.459 1.00 19.19 H new ATOM 0 HG21 ILE A 76 33.518 39.666 17.365 1.00 9.25 H new ATOM 0 HG22 ILE A 76 32.948 41.108 17.687 1.00 9.25 H new ATOM 0 HG23 ILE A 76 34.425 40.727 18.114 1.00 9.25 H new ATOM 0 HD11 ILE A 76 35.958 38.763 20.289 1.00 17.58 H new ATOM 0 HD12 ILE A 76 35.594 39.601 18.995 1.00 17.58 H new ATOM 0 HD13 ILE A 76 35.395 40.236 20.432 1.00 17.58 H new ATOM 595 N GLN A 77 30.818 41.693 19.961 1.00 9.74 N ATOM 596 CA GLN A 77 29.928 42.618 19.551 1.00 3.32 C ATOM 597 C GLN A 77 30.029 43.873 20.446 1.00 9.91 C ATOM 598 O GLN A 77 30.171 44.980 19.887 1.00 19.28 O ATOM 599 CB GLN A 77 28.458 41.867 19.579 1.00 9.05 C ATOM 600 CG GLN A 77 27.480 42.717 18.950 1.00 16.19 C ATOM 601 CD GLN A 77 26.230 41.729 18.609 1.00 19.62 C ATOM 602 OE1 GLN A 77 25.410 41.464 19.618 1.00 20.41 O flip ATOM 603 NE2 GLN A 77 25.924 41.472 17.411 1.00 8.16 N flip ATOM 0 H GLN A 77 30.501 40.942 20.234 1.00 9.74 H new ATOM 0 HA GLN A 77 30.092 42.946 18.653 1.00 3.32 H new ATOM 0 HB2 GLN A 77 28.508 41.016 19.116 1.00 9.05 H new ATOM 0 HB3 GLN A 77 28.197 41.677 20.494 1.00 9.05 H new ATOM 0 HG2 GLN A 77 27.209 43.438 19.540 1.00 16.19 H new ATOM 0 HG3 GLN A 77 27.835 43.127 18.146 1.00 16.19 H new ATOM 0 HE21 GLN A 77 26.476 41.655 16.777 1.00 8.16 H new ATOM 0 HE22 GLN A 77 25.164 41.114 17.229 1.00 8.16 H new ATOM 604 N LEU A 78 30.301 43.795 21.718 1.00 11.13 N ATOM 605 CA LEU A 78 30.602 45.047 22.535 1.00 8.37 C ATOM 606 C LEU A 78 31.981 45.845 22.200 1.00 12.60 C ATOM 607 O LEU A 78 32.059 47.062 21.958 1.00 17.00 O ATOM 608 CB LEU A 78 30.693 44.658 23.996 1.00 10.91 C ATOM 609 CG LEU A 78 29.370 44.276 24.726 1.00 13.07 C ATOM 610 CD1 LEU A 78 29.754 43.589 26.053 1.00 22.27 C ATOM 611 CD2 LEU A 78 28.763 45.594 25.019 1.00 5.21 C ATOM 0 H LEU A 78 30.328 43.060 22.163 1.00 11.13 H new ATOM 0 HA LEU A 78 29.876 45.648 22.307 1.00 8.37 H new ATOM 0 HB2 LEU A 78 31.302 43.906 24.068 1.00 10.91 H new ATOM 0 HB3 LEU A 78 31.097 45.397 24.477 1.00 10.91 H new ATOM 0 HG LEU A 78 28.784 43.688 24.224 1.00 13.07 H new ATOM 0 HD11 LEU A 78 28.949 43.338 26.533 1.00 22.27 H new ATOM 0 HD12 LEU A 78 30.279 42.795 25.866 1.00 22.27 H new ATOM 0 HD13 LEU A 78 30.276 44.201 26.595 1.00 22.27 H new ATOM 0 HD21 LEU A 78 27.920 45.467 25.481 1.00 5.21 H new ATOM 0 HD22 LEU A 78 29.364 46.110 25.580 1.00 5.21 H new ATOM 0 HD23 LEU A 78 28.607 46.071 24.189 1.00 5.21 H new ATOM 612 N GLU A 79 32.924 45.182 21.812 1.00 10.34 N ATOM 613 CA GLU A 79 34.226 45.904 21.425 1.00 8.63 C ATOM 614 C GLU A 79 34.224 46.617 20.089 1.00 14.67 C ATOM 615 O GLU A 79 34.637 47.851 20.066 1.00 21.14 O ATOM 616 CB GLU A 79 35.304 44.984 21.490 1.00 20.66 C ATOM 617 CG GLU A 79 36.777 45.727 21.327 1.00 12.56 C ATOM 618 CD GLU A 79 37.203 45.654 19.867 1.00 30.03 C ATOM 619 OE1 GLU A 79 36.892 44.588 19.173 1.00 37.02 O ATOM 620 OE2 GLU A 79 37.567 46.766 19.294 1.00 28.35 O ATOM 0 H GLU A 79 32.932 44.326 21.731 1.00 10.34 H new ATOM 0 HA GLU A 79 34.323 46.620 22.072 1.00 8.63 H new ATOM 0 HB2 GLU A 79 35.274 44.513 22.338 1.00 20.66 H new ATOM 0 HB3 GLU A 79 35.201 44.318 20.792 1.00 20.66 H new ATOM 0 HG2 GLU A 79 36.721 46.652 21.615 1.00 12.56 H new ATOM 0 HG3 GLU A 79 37.436 45.294 21.892 1.00 12.56 H new ATOM 621 N VAL A 80 33.523 45.975 19.169 1.00 11.99 N ATOM 622 CA VAL A 80 33.287 46.534 17.865 1.00 17.96 C ATOM 623 C VAL A 80 32.376 47.634 17.847 1.00 20.45 C ATOM 624 O VAL A 80 32.650 48.637 17.096 1.00 24.53 O ATOM 625 CB VAL A 80 32.763 45.379 16.894 1.00 8.65 C ATOM 626 CG1 VAL A 80 32.585 45.984 15.504 1.00 14.76 C ATOM 627 CG2 VAL A 80 33.930 44.557 16.760 1.00 9.12 C ATOM 0 H VAL A 80 33.172 45.199 19.290 1.00 11.99 H new ATOM 0 HA VAL A 80 34.135 46.895 17.562 1.00 17.96 H new ATOM 0 HB VAL A 80 31.953 44.947 17.207 1.00 8.65 H new ATOM 0 HG11 VAL A 80 32.266 45.302 14.892 1.00 14.76 H new ATOM 0 HG12 VAL A 80 31.940 46.707 15.546 1.00 14.76 H new ATOM 0 HG13 VAL A 80 33.436 46.328 15.189 1.00 14.76 H new ATOM 0 HG21 VAL A 80 33.732 43.805 16.180 1.00 9.12 H new ATOM 0 HG22 VAL A 80 34.652 45.079 16.377 1.00 9.12 H new ATOM 0 HG23 VAL A 80 34.197 44.229 17.633 1.00 9.12 H new ATOM 628 N THR A 81 31.173 47.304 18.359 1.00 12.12 N ATOM 629 CA THR A 81 30.110 48.067 18.001 1.00 7.39 C ATOM 630 C THR A 81 29.938 48.973 19.157 1.00 3.00 C ATOM 631 O THR A 81 29.291 49.908 18.999 1.00 16.35 O ATOM 632 CB THR A 81 28.772 47.140 17.699 1.00 7.51 C ATOM 633 OG1 THR A 81 28.315 46.419 18.866 1.00 19.04 O ATOM 634 CG2 THR A 81 28.858 46.087 16.598 1.00 7.95 C ATOM 0 H THR A 81 31.012 46.651 18.895 1.00 12.12 H new ATOM 0 HA THR A 81 30.245 48.555 17.174 1.00 7.39 H new ATOM 0 HB THR A 81 28.165 47.836 17.402 1.00 7.51 H new ATOM 0 HG1 THR A 81 28.941 45.947 19.167 1.00 19.04 H new ATOM 0 HG21 THR A 81 28.010 45.621 16.529 1.00 7.95 H new ATOM 0 HG22 THR A 81 29.059 46.518 15.753 1.00 7.95 H new ATOM 0 HG23 THR A 81 29.559 45.452 16.812 1.00 7.95 H new ATOM 635 N GLY A 82 30.303 48.567 20.339 1.00 11.78 N ATOM 636 CA GLY A 82 29.943 49.293 21.548 1.00 18.63 C ATOM 637 C GLY A 82 28.684 48.636 22.331 1.00 13.00 C ATOM 638 O GLY A 82 28.316 49.109 23.413 1.00 19.79 O ATOM 0 H GLY A 82 30.770 47.859 20.478 1.00 11.78 H new ATOM 0 HA2 GLY A 82 30.709 49.320 22.143 1.00 18.63 H new ATOM 0 HA3 GLY A 82 29.730 50.211 21.317 1.00 18.63 H new ATOM 639 N VAL A 83 27.885 47.722 21.725 1.00 19.62 N ATOM 640 CA VAL A 83 26.589 47.156 22.349 1.00 23.22 C ATOM 641 C VAL A 83 26.378 45.592 22.207 1.00 23.66 C ATOM 642 O VAL A 83 26.914 45.057 21.253 1.00 25.12 O ATOM 643 CB VAL A 83 25.430 47.742 21.612 1.00 13.59 C ATOM 644 CG1 VAL A 83 25.421 49.260 21.755 1.00 15.60 C ATOM 645 CG2 VAL A 83 25.210 47.293 20.127 1.00 13.73 C ATOM 0 H VAL A 83 28.056 47.399 20.946 1.00 19.62 H new ATOM 0 HA VAL A 83 26.657 47.374 23.292 1.00 23.22 H new ATOM 0 HB VAL A 83 24.658 47.354 22.054 1.00 13.59 H new ATOM 0 HG11 VAL A 83 24.664 49.626 21.272 1.00 15.60 H new ATOM 0 HG12 VAL A 83 25.350 49.496 22.693 1.00 15.60 H new ATOM 0 HG13 VAL A 83 26.243 49.624 21.391 1.00 15.60 H new ATOM 0 HG21 VAL A 83 24.431 47.743 19.765 1.00 13.73 H new ATOM 0 HG22 VAL A 83 25.991 47.525 19.600 1.00 13.73 H new ATOM 0 HG23 VAL A 83 25.073 46.333 20.096 1.00 13.73 H new ATOM 646 N VAL A 84 25.408 44.863 22.933 1.00 19.12 N ATOM 647 CA VAL A 84 24.781 43.462 22.540 1.00 10.79 C ATOM 648 C VAL A 84 23.435 43.594 21.824 1.00 7.12 C ATOM 649 O VAL A 84 22.552 44.164 22.410 1.00 18.38 O ATOM 650 CB VAL A 84 24.519 42.538 23.806 1.00 12.90 C ATOM 651 CG1 VAL A 84 23.766 41.093 23.553 1.00 13.24 C ATOM 652 CG2 VAL A 84 25.796 42.457 24.653 1.00 19.00 C ATOM 0 H VAL A 84 25.088 45.162 23.673 1.00 19.12 H new ATOM 0 HA VAL A 84 25.442 43.065 21.952 1.00 10.79 H new ATOM 0 HB VAL A 84 23.826 42.984 24.317 1.00 12.90 H new ATOM 0 HG11 VAL A 84 23.666 40.628 24.398 1.00 13.24 H new ATOM 0 HG12 VAL A 84 22.891 41.248 23.164 1.00 13.24 H new ATOM 0 HG13 VAL A 84 24.297 40.553 22.948 1.00 13.24 H new ATOM 0 HG21 VAL A 84 25.637 41.893 25.426 1.00 19.00 H new ATOM 0 HG22 VAL A 84 26.514 42.080 24.121 1.00 19.00 H new ATOM 0 HG23 VAL A 84 26.046 43.347 24.948 1.00 19.00 H new ATOM 653 N VAL A 85 23.284 43.112 20.601 1.00 14.50 N ATOM 654 CA VAL A 85 22.080 43.149 19.717 1.00 21.50 C ATOM 655 C VAL A 85 20.986 41.913 19.917 1.00 21.82 C ATOM 656 O VAL A 85 21.216 40.717 19.725 1.00 21.31 O ATOM 657 CB VAL A 85 22.544 43.137 18.247 1.00 23.61 C ATOM 658 CG1 VAL A 85 21.440 43.335 17.183 1.00 24.60 C ATOM 659 CG2 VAL A 85 23.844 44.155 18.084 1.00 35.63 C ATOM 0 H VAL A 85 23.938 42.711 20.211 1.00 14.50 H new ATOM 0 HA VAL A 85 21.611 43.960 19.969 1.00 21.50 H new ATOM 0 HB VAL A 85 22.824 42.231 18.045 1.00 23.61 H new ATOM 0 HG11 VAL A 85 21.836 43.311 16.298 1.00 24.60 H new ATOM 0 HG12 VAL A 85 20.783 42.626 17.262 1.00 24.60 H new ATOM 0 HG13 VAL A 85 21.008 44.192 17.321 1.00 24.60 H new ATOM 0 HG21 VAL A 85 24.143 44.153 17.161 1.00 35.63 H new ATOM 0 HG22 VAL A 85 23.585 45.055 18.338 1.00 35.63 H new ATOM 0 HG23 VAL A 85 24.566 43.853 18.657 1.00 35.63 H new ATOM 660 N THR A 86 19.838 42.222 20.256 1.00 25.42 N ATOM 661 CA THR A 86 18.636 41.212 20.552 1.00 44.07 C ATOM 662 C THR A 86 17.970 40.665 19.272 1.00 25.41 C ATOM 663 O THR A 86 17.419 41.468 18.579 1.00 37.58 O ATOM 664 CB THR A 86 17.519 41.864 21.281 1.00 53.92 C ATOM 665 OG1 THR A 86 18.015 42.724 22.399 1.00 46.12 O ATOM 666 CG2 THR A 86 16.306 40.780 21.705 1.00 47.30 C ATOM 0 H THR A 86 19.605 43.043 20.358 1.00 25.42 H new ATOM 0 HA THR A 86 19.060 40.508 21.067 1.00 44.07 H new ATOM 0 HB THR A 86 17.083 42.476 20.668 1.00 53.92 H new ATOM 0 HG1 THR A 86 17.954 43.532 22.179 1.00 46.12 H new ATOM 0 HG21 THR A 86 15.601 41.251 22.177 1.00 47.30 H new ATOM 0 HG22 THR A 86 15.941 40.372 20.904 1.00 47.30 H new ATOM 0 HG23 THR A 86 16.674 40.090 22.279 1.00 47.30 H new ATOM 667 N ASP A 87 18.294 39.519 18.852 1.00 31.59 N ATOM 668 CA ASP A 87 17.703 38.881 17.626 1.00 17.20 C ATOM 669 C ASP A 87 16.578 37.682 17.900 1.00 37.47 C ATOM 670 O ASP A 87 16.109 37.467 19.062 1.00 37.37 O ATOM 671 CB ASP A 87 18.758 38.432 16.683 1.00 15.06 C ATOM 672 CG ASP A 87 19.209 37.173 17.247 1.00 44.96 C ATOM 673 OD1 ASP A 87 19.237 37.037 18.501 1.00 47.03 O ATOM 674 OD2 ASP A 87 20.062 36.670 16.557 1.00 44.58 O ATOM 0 H ASP A 87 18.879 39.026 19.245 1.00 31.59 H new ATOM 0 HA ASP A 87 17.191 39.594 17.214 1.00 17.20 H new ATOM 0 HB2 ASP A 87 18.408 38.316 15.786 1.00 15.06 H new ATOM 0 HB3 ASP A 87 19.481 39.076 16.624 1.00 15.06 H new ATOM 675 N ALA A 88 16.024 37.081 16.809 1.00 35.63 N ATOM 676 CA ALA A 88 14.857 36.020 16.888 1.00 45.38 C ATOM 677 C ALA A 88 15.127 34.935 17.881 1.00 49.41 C ATOM 678 O ALA A 88 14.257 34.498 18.736 1.00 41.68 O ATOM 679 CB ALA A 88 14.607 35.307 15.540 1.00 44.39 C ATOM 0 H ALA A 88 16.281 37.247 16.005 1.00 35.63 H new ATOM 0 HA ALA A 88 14.085 36.545 17.151 1.00 45.38 H new ATOM 0 HB1 ALA A 88 13.884 34.668 15.641 1.00 44.39 H new ATOM 0 HB2 ALA A 88 14.367 35.963 14.867 1.00 44.39 H new ATOM 0 HB3 ALA A 88 15.413 34.842 15.265 1.00 44.39 H new ATOM 680 N THR A 89 16.351 34.634 17.831 1.00 34.80 N ATOM 681 CA THR A 89 16.764 33.619 18.715 1.00 45.36 C ATOM 682 C THR A 89 16.645 33.962 20.184 1.00 40.60 C ATOM 683 O THR A 89 16.125 33.098 21.018 1.00 36.47 O ATOM 684 CB THR A 89 18.215 33.461 18.372 1.00 47.68 C ATOM 685 OG1 THR A 89 18.208 33.144 16.963 1.00 50.05 O ATOM 686 CG2 THR A 89 18.797 32.397 19.213 1.00 41.34 C ATOM 0 H THR A 89 16.950 34.980 17.320 1.00 34.80 H new ATOM 0 HA THR A 89 16.207 32.832 18.608 1.00 45.36 H new ATOM 0 HB THR A 89 18.759 34.247 18.539 1.00 47.68 H new ATOM 0 HG1 THR A 89 18.997 33.041 16.695 1.00 50.05 H new ATOM 0 HG21 THR A 89 19.736 32.290 18.996 1.00 41.34 H new ATOM 0 HG22 THR A 89 18.707 32.638 20.148 1.00 41.34 H new ATOM 0 HG23 THR A 89 18.330 31.563 19.049 1.00 41.34 H new ATOM 687 N LEU A 90 17.051 35.205 20.490 1.00 31.17 N ATOM 688 CA LEU A 90 17.146 35.505 21.880 1.00 14.24 C ATOM 689 C LEU A 90 15.712 35.508 22.376 1.00 28.96 C ATOM 690 O LEU A 90 15.401 35.203 23.573 1.00 30.62 O ATOM 691 CB LEU A 90 18.122 36.838 22.131 1.00 11.36 C ATOM 692 CG LEU A 90 19.596 36.691 21.745 1.00 22.18 C ATOM 693 CD1 LEU A 90 20.611 37.896 22.233 1.00 32.38 C ATOM 694 CD2 LEU A 90 20.063 35.411 22.324 1.00 28.61 C ATOM 0 H LEU A 90 17.257 35.832 19.938 1.00 31.17 H new ATOM 0 HA LEU A 90 17.616 34.857 22.428 1.00 14.24 H new ATOM 0 HB2 LEU A 90 17.751 37.583 21.633 1.00 11.36 H new ATOM 0 HB3 LEU A 90 18.077 37.074 23.071 1.00 11.36 H new ATOM 0 HG LEU A 90 19.629 36.730 20.776 1.00 22.18 H new ATOM 0 HD11 LEU A 90 21.513 37.700 21.935 1.00 32.38 H new ATOM 0 HD12 LEU A 90 20.321 38.739 21.850 1.00 32.38 H new ATOM 0 HD13 LEU A 90 20.597 37.959 23.201 1.00 32.38 H new ATOM 0 HD21 LEU A 90 20.998 35.277 22.102 1.00 28.61 H new ATOM 0 HD22 LEU A 90 19.960 35.435 23.288 1.00 28.61 H new ATOM 0 HD23 LEU A 90 19.537 34.681 21.961 1.00 28.61 H new ATOM 695 N LYS A 91 14.918 35.939 21.487 1.00 29.56 N ATOM 696 CA LYS A 91 13.455 35.974 21.794 1.00 46.94 C ATOM 697 C LYS A 91 12.695 34.546 22.021 1.00 34.69 C ATOM 698 O LYS A 91 11.814 34.228 22.897 1.00 40.88 O ATOM 699 CB LYS A 91 12.696 36.683 20.691 1.00 43.69 C ATOM 700 CG LYS A 91 13.435 38.106 20.303 1.00 23.12 C ATOM 701 CD LYS A 91 12.563 38.889 19.419 0.00 0.00 C ATOM 702 CE LYS A 91 13.261 40.351 19.185 0.00 0.00 C ATOM 703 NZ LYS A 91 14.579 40.348 18.537 0.00 0.00 N ATOM 0 H LYS A 91 15.145 36.220 20.706 1.00 29.56 H new ATOM 0 HA LYS A 91 13.442 36.435 22.647 1.00 46.94 H new ATOM 0 HB2 LYS A 91 12.647 36.114 19.907 1.00 43.69 H new ATOM 0 HB3 LYS A 91 11.784 36.853 20.976 1.00 43.69 H new ATOM 0 HG2 LYS A 91 13.630 38.610 21.109 1.00 23.12 H new ATOM 0 HG3 LYS A 91 14.283 37.932 19.865 1.00 23.12 H new ATOM 0 HD2 LYS A 91 12.441 38.432 18.572 0.00 0.00 H new ATOM 0 HD3 LYS A 91 11.684 38.993 19.815 0.00 0.00 H new ATOM 0 HE2 LYS A 91 12.660 40.893 18.650 0.00 0.00 H new ATOM 0 HE3 LYS A 91 13.346 40.789 20.046 0.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.872 41.184 18.455 0.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.152 39.880 19.032 0.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.513 39.977 17.731 0.00 0.00 H new ATOM 704 N ASN A 92 13.172 33.641 21.431 1.00 26.14 N ATOM 705 CA ASN A 92 12.577 32.260 21.597 1.00 20.26 C ATOM 706 C ASN A 92 13.114 31.611 22.820 1.00 32.91 C ATOM 707 O ASN A 92 12.281 30.853 23.554 1.00 28.47 O ATOM 708 CB ASN A 92 12.919 31.475 20.375 1.00 40.01 C ATOM 709 CG ASN A 92 12.107 30.046 20.480 1.00 65.25 C ATOM 710 OD1 ASN A 92 10.822 29.905 20.517 1.00 56.11 O ATOM 711 ND2 ASN A 92 12.815 29.149 21.013 1.00 56.34 N ATOM 0 HA ASN A 92 11.614 32.309 21.700 1.00 20.26 H new ATOM 0 HB2 ASN A 92 12.662 31.958 19.574 1.00 40.01 H new ATOM 0 HB3 ASN A 92 13.876 31.323 20.321 1.00 40.01 H new ATOM 0 HD21 ASN A 92 12.441 28.470 21.386 1.00 56.34 H new ATOM 0 HD22 ASN A 92 13.672 29.216 21.004 1.00 56.34 H new ATOM 712 N LEU A 93 14.406 32.080 23.093 1.00 18.25 N ATOM 713 CA LEU A 93 15.050 31.668 24.319 1.00 16.53 C ATOM 714 C LEU A 93 14.310 32.125 25.492 1.00 11.20 C ATOM 715 O LEU A 93 14.104 31.389 26.493 1.00 21.09 O ATOM 716 CB LEU A 93 16.583 32.191 24.510 1.00 19.45 C ATOM 717 CG LEU A 93 17.481 31.283 23.795 1.00 29.12 C ATOM 718 CD1 LEU A 93 18.992 31.681 24.077 1.00 32.23 C ATOM 719 CD2 LEU A 93 17.012 29.782 24.077 1.00 37.90 C ATOM 0 H LEU A 93 14.864 32.603 22.587 1.00 18.25 H new ATOM 0 HA LEU A 93 15.063 30.701 24.243 1.00 16.53 H new ATOM 0 HB2 LEU A 93 16.675 33.094 24.168 1.00 19.45 H new ATOM 0 HB3 LEU A 93 16.814 32.220 25.452 1.00 19.45 H new ATOM 0 HG LEU A 93 17.430 31.361 22.830 1.00 29.12 H new ATOM 0 HD11 LEU A 93 19.581 31.075 23.600 1.00 32.23 H new ATOM 0 HD12 LEU A 93 19.149 32.589 23.775 1.00 32.23 H new ATOM 0 HD13 LEU A 93 19.170 31.622 25.029 1.00 32.23 H new ATOM 0 HD21 LEU A 93 17.598 29.166 23.609 1.00 37.90 H new ATOM 0 HD22 LEU A 93 17.051 29.604 25.030 1.00 37.90 H new ATOM 0 HD23 LEU A 93 16.102 29.663 23.763 1.00 37.90 H new ATOM 720 N GLY A 94 13.805 33.223 25.365 1.00 24.14 N ATOM 721 CA GLY A 94 13.157 33.678 26.547 1.00 14.33 C ATOM 722 C GLY A 94 11.784 32.838 26.785 1.00 18.18 C ATOM 723 O GLY A 94 11.331 32.625 27.940 1.00 25.35 O ATOM 0 H GLY A 94 13.797 33.731 24.671 1.00 24.14 H new ATOM 0 HA2 GLY A 94 13.747 33.572 27.310 1.00 14.33 H new ATOM 0 HA3 GLY A 94 12.958 34.624 26.472 1.00 14.33 H new ATOM 724 N SER A 95 11.176 32.349 25.699 1.00 28.33 N ATOM 725 CA SER A 95 9.846 31.487 25.787 1.00 37.07 C ATOM 726 C SER A 95 9.980 30.127 26.425 1.00 38.12 C ATOM 727 O SER A 95 9.246 29.697 27.404 1.00 33.33 O ATOM 728 CB SER A 95 9.323 31.192 24.347 1.00 33.41 C ATOM 729 OG SER A 95 8.148 30.189 24.412 1.00 51.16 O ATOM 0 H SER A 95 11.464 32.470 24.898 1.00 28.33 H new ATOM 0 HA SER A 95 9.260 32.030 26.337 1.00 37.07 H new ATOM 0 HB2 SER A 95 9.033 32.015 23.924 1.00 33.41 H new ATOM 0 HB3 SER A 95 10.039 30.830 23.802 1.00 33.41 H new ATOM 0 HG SER A 95 7.868 30.034 23.635 1.00 51.16 H new ATOM 730 N VAL A 96 10.907 29.501 25.862 1.00 16.21 N ATOM 731 CA VAL A 96 11.243 28.258 26.434 1.00 14.20 C ATOM 732 C VAL A 96 11.603 28.281 27.921 1.00 38.49 C ATOM 733 O VAL A 96 11.179 27.263 28.645 1.00 28.28 O ATOM 734 CB VAL A 96 12.263 27.619 25.577 1.00 16.20 C ATOM 735 CG1 VAL A 96 13.367 28.592 24.917 1.00 44.81 C ATOM 736 CG2 VAL A 96 12.904 26.552 26.361 1.00 34.91 C ATOM 0 H VAL A 96 11.354 29.749 25.170 1.00 16.21 H new ATOM 0 HA VAL A 96 10.440 27.715 26.451 1.00 14.20 H new ATOM 0 HB VAL A 96 11.790 27.277 24.802 1.00 16.20 H new ATOM 0 HG11 VAL A 96 13.981 28.068 24.379 1.00 44.81 H new ATOM 0 HG12 VAL A 96 12.926 29.249 24.356 1.00 44.81 H new ATOM 0 HG13 VAL A 96 13.860 29.046 25.619 1.00 44.81 H new ATOM 0 HG21 VAL A 96 13.580 26.115 25.820 1.00 34.91 H new ATOM 0 HG22 VAL A 96 13.319 26.935 27.150 1.00 34.91 H new ATOM 0 HG23 VAL A 96 12.236 25.902 26.630 1.00 34.91 H new ATOM 737 N HIS A 97 12.303 29.420 28.394 1.00 23.98 N ATOM 738 CA HIS A 97 12.708 29.477 29.812 1.00 9.99 C ATOM 739 C HIS A 97 11.517 29.642 30.705 1.00 7.74 C ATOM 740 O HIS A 97 11.342 28.892 31.714 1.00 22.89 O ATOM 741 CB HIS A 97 13.896 30.646 30.100 1.00 25.86 C ATOM 742 CG HIS A 97 15.223 30.241 29.542 1.00 12.48 C ATOM 743 ND1 HIS A 97 15.721 30.653 28.305 1.00 25.54 N ATOM 744 CD2 HIS A 97 15.998 29.422 30.042 1.00 17.11 C ATOM 745 CE1 HIS A 97 16.822 30.074 28.013 1.00 20.36 C ATOM 746 NE2 HIS A 97 17.001 29.291 29.115 1.00 7.43 N ATOM 0 H HIS A 97 12.521 30.102 27.918 1.00 23.98 H new ATOM 0 HA HIS A 97 13.118 28.625 30.029 1.00 9.99 H new ATOM 0 HB2 HIS A 97 13.623 31.489 29.705 1.00 25.86 H new ATOM 0 HB3 HIS A 97 13.979 30.794 31.055 1.00 25.86 H new ATOM 0 HD1 HIS A 97 15.332 31.229 27.799 1.00 25.54 H new ATOM 0 HD2 HIS A 97 15.920 28.991 30.862 1.00 17.11 H new ATOM 0 HE1 HIS A 97 17.355 30.162 27.256 1.00 20.36 H new ATOM 747 N VAL A 98 10.638 30.431 30.234 1.00 12.21 N ATOM 748 CA VAL A 98 9.419 30.518 31.022 1.00 6.12 C ATOM 749 C VAL A 98 8.617 29.083 31.152 1.00 20.29 C ATOM 750 O VAL A 98 8.196 28.654 32.271 1.00 30.96 O ATOM 751 CB VAL A 98 8.614 31.422 30.269 1.00 5.76 C ATOM 752 CG1 VAL A 98 7.168 31.332 30.773 1.00 30.22 C ATOM 753 CG2 VAL A 98 9.287 32.892 30.450 1.00 12.90 C ATOM 0 H VAL A 98 10.688 30.905 29.518 1.00 12.21 H new ATOM 0 HA VAL A 98 9.614 30.790 31.932 1.00 6.12 H new ATOM 0 HB VAL A 98 8.579 31.216 29.322 1.00 5.76 H new ATOM 0 HG11 VAL A 98 6.610 31.944 30.267 1.00 30.22 H new ATOM 0 HG12 VAL A 98 6.841 30.426 30.658 1.00 30.22 H new ATOM 0 HG13 VAL A 98 7.137 31.569 31.713 1.00 30.22 H new ATOM 0 HG21 VAL A 98 8.772 33.547 29.953 1.00 12.90 H new ATOM 0 HG22 VAL A 98 9.293 33.132 31.390 1.00 12.90 H new ATOM 0 HG23 VAL A 98 10.197 32.875 30.115 1.00 12.90 H new ATOM 754 N SER A 99 8.555 28.306 30.099 1.00 24.48 N ATOM 755 CA SER A 99 7.769 26.893 30.032 1.00 25.24 C ATOM 756 C SER A 99 8.366 25.895 30.874 1.00 28.45 C ATOM 757 O SER A 99 7.577 25.101 31.548 1.00 35.53 O ATOM 758 CB SER A 99 7.763 26.313 28.628 1.00 32.10 C ATOM 759 OG SER A 99 7.212 27.239 27.748 1.00 56.01 O ATOM 0 H SER A 99 8.941 28.508 29.357 1.00 24.48 H new ATOM 0 HA SER A 99 6.869 27.097 30.329 1.00 25.24 H new ATOM 0 HB2 SER A 99 8.667 26.091 28.355 1.00 32.10 H new ATOM 0 HB3 SER A 99 7.251 25.490 28.610 1.00 32.10 H new ATOM 0 HG SER A 99 7.746 27.879 27.644 1.00 56.01 H new ATOM 760 N LYS A 100 9.691 26.014 30.946 1.00 23.75 N ATOM 761 CA LYS A 100 10.350 25.159 31.858 1.00 19.61 C ATOM 762 C LYS A 100 10.307 25.608 33.331 1.00 15.92 C ATOM 763 O LYS A 100 10.794 24.980 34.238 1.00 31.84 O ATOM 764 CB LYS A 100 11.829 25.189 31.405 1.00 22.36 C ATOM 765 CG LYS A 100 11.902 24.475 30.050 1.00 34.42 C ATOM 766 CD LYS A 100 11.351 22.955 30.163 1.00 44.11 C ATOM 767 CE LYS A 100 11.301 22.214 28.816 1.00 38.35 C ATOM 768 NZ LYS A 100 11.059 20.743 29.021 0.00 0.00 N ATOM 0 H LYS A 100 10.183 26.556 30.495 1.00 23.75 H new ATOM 0 HA LYS A 100 9.913 24.293 31.841 1.00 19.61 H new ATOM 0 HB2 LYS A 100 12.145 26.103 31.328 1.00 22.36 H new ATOM 0 HB3 LYS A 100 12.396 24.747 32.056 1.00 22.36 H new ATOM 0 HG2 LYS A 100 11.380 24.964 29.395 1.00 34.42 H new ATOM 0 HG3 LYS A 100 12.819 24.467 29.734 1.00 34.42 H new ATOM 0 HD2 LYS A 100 11.917 22.459 30.775 1.00 44.11 H new ATOM 0 HD3 LYS A 100 10.461 22.970 30.548 1.00 44.11 H new ATOM 0 HE2 LYS A 100 10.597 22.587 28.263 1.00 38.35 H new ATOM 0 HE3 LYS A 100 12.136 22.345 28.339 1.00 38.35 H new ATOM 0 HZ1 LYS A 100 11.034 20.333 28.231 0.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.717 20.399 29.512 0.00 0.00 H new ATOM 0 HZ3 LYS A 100 10.283 20.625 29.441 0.00 0.00 H new ATOM 769 N GLY A 101 9.733 26.662 33.606 1.00 33.00 N ATOM 770 CA GLY A 101 9.615 27.147 34.990 1.00 15.78 C ATOM 771 C GLY A 101 10.937 27.899 35.563 1.00 20.55 C ATOM 772 O GLY A 101 11.060 28.003 36.807 1.00 19.10 O ATOM 0 H GLY A 101 9.370 27.176 33.020 1.00 33.00 H new ATOM 0 HA2 GLY A 101 8.863 27.757 35.043 1.00 15.78 H new ATOM 0 HA3 GLY A 101 9.411 26.394 35.567 1.00 15.78 H new ATOM 773 N VAL A 102 11.835 28.532 34.672 1.00 23.07 N ATOM 774 CA VAL A 102 13.079 29.349 35.100 1.00 12.34 C ATOM 775 C VAL A 102 12.736 30.718 35.536 1.00 9.49 C ATOM 776 O VAL A 102 12.078 31.275 34.736 1.00 21.00 O ATOM 777 CB VAL A 102 14.049 29.529 33.923 1.00 19.85 C ATOM 778 CG1 VAL A 102 15.333 30.557 34.296 1.00 14.37 C ATOM 779 CG2 VAL A 102 14.434 28.135 33.539 1.00 13.42 C ATOM 0 H VAL A 102 11.736 28.497 33.818 1.00 23.07 H new ATOM 0 HA VAL A 102 13.473 28.845 35.829 1.00 12.34 H new ATOM 0 HB VAL A 102 13.648 29.984 33.166 1.00 19.85 H new ATOM 0 HG11 VAL A 102 15.916 30.639 33.525 1.00 14.37 H new ATOM 0 HG12 VAL A 102 14.989 31.432 34.535 1.00 14.37 H new ATOM 0 HG13 VAL A 102 15.834 30.192 35.042 1.00 14.37 H new ATOM 0 HG21 VAL A 102 15.053 28.164 32.793 1.00 13.42 H new ATOM 0 HG22 VAL A 102 14.858 27.697 34.293 1.00 13.42 H new ATOM 0 HG23 VAL A 102 13.641 27.639 33.282 1.00 13.42 H new ATOM 780 N ALA A 103 13.289 31.313 36.582 1.00 9.47 N ATOM 781 CA ALA A 103 13.151 32.717 36.988 1.00 3.22 C ATOM 782 C ALA A 103 14.534 33.632 36.994 1.00 13.49 C ATOM 783 O ALA A 103 15.617 33.148 36.849 1.00 10.96 O ATOM 784 CB ALA A 103 12.593 32.666 38.420 1.00 6.15 C ATOM 0 H ALA A 103 13.797 30.876 37.121 1.00 9.47 H new ATOM 0 HA ALA A 103 12.587 33.154 36.331 1.00 3.22 H new ATOM 0 HB1 ALA A 103 12.476 33.569 38.754 1.00 6.15 H new ATOM 0 HB2 ALA A 103 11.737 32.209 38.418 1.00 6.15 H new ATOM 0 HB3 ALA A 103 13.213 32.188 38.992 1.00 6.15 H new ATOM 785 N ASP A 104 14.495 34.939 37.105 1.00 9.46 N ATOM 786 CA ASP A 104 15.715 35.921 37.245 1.00 11.43 C ATOM 787 C ASP A 104 16.741 35.598 38.306 1.00 17.00 C ATOM 788 O ASP A 104 17.970 35.935 38.070 1.00 24.70 O ATOM 789 CB ASP A 104 15.267 37.267 37.640 1.00 19.12 C ATOM 790 CG ASP A 104 14.628 37.922 36.464 1.00 30.65 C ATOM 791 OD1 ASP A 104 14.117 38.988 36.620 1.00 43.98 O ATOM 792 OD2 ASP A 104 14.297 37.247 35.446 1.00 45.16 O ATOM 0 H ASP A 104 13.746 35.361 37.107 1.00 9.46 H new ATOM 0 HA ASP A 104 16.115 35.845 36.365 1.00 11.43 H new ATOM 0 HB2 ASP A 104 14.638 37.209 38.376 1.00 19.12 H new ATOM 0 HB3 ASP A 104 16.020 37.794 37.951 1.00 19.12 H new ATOM 793 N ALA A 105 16.301 35.043 39.463 1.00 5.93 N ATOM 794 CA ALA A 105 17.164 34.744 40.564 1.00 8.65 C ATOM 795 C ALA A 105 17.865 33.515 40.279 1.00 6.32 C ATOM 796 O ALA A 105 18.972 33.460 40.804 1.00 18.12 O ATOM 797 CB ALA A 105 16.385 34.501 41.851 1.00 8.46 C ATOM 0 H ALA A 105 15.478 34.838 39.603 1.00 5.93 H new ATOM 0 HA ALA A 105 17.758 35.502 40.680 1.00 8.65 H new ATOM 0 HB1 ALA A 105 17.004 34.302 42.571 1.00 8.46 H new ATOM 0 HB2 ALA A 105 15.873 35.294 42.074 1.00 8.46 H new ATOM 0 HB3 ALA A 105 15.782 33.752 41.728 1.00 8.46 H new ATOM 798 N HIS A 106 17.529 32.883 39.139 1.00 11.96 N ATOM 799 CA HIS A 106 18.306 31.878 38.630 1.00 15.70 C ATOM 800 C HIS A 106 19.663 32.442 38.000 1.00 23.46 C ATOM 801 O HIS A 106 20.625 31.763 38.063 1.00 17.05 O ATOM 802 CB HIS A 106 17.454 30.946 37.615 1.00 22.28 C ATOM 803 CG HIS A 106 16.476 29.821 38.309 1.00 12.67 C ATOM 804 ND1 HIS A 106 15.095 29.640 38.025 1.00 15.61 N ATOM 805 CD2 HIS A 106 16.715 28.902 39.202 1.00 21.39 C ATOM 806 CE1 HIS A 106 14.477 28.600 38.803 1.00 20.81 C ATOM 807 NE2 HIS A 106 15.491 28.116 39.549 1.00 16.74 N ATOM 0 H HIS A 106 16.829 33.065 38.674 1.00 11.96 H new ATOM 0 HA HIS A 106 18.582 31.302 39.360 1.00 15.70 H new ATOM 0 HB2 HIS A 106 16.908 31.522 37.058 1.00 22.28 H new ATOM 0 HB3 HIS A 106 18.075 30.489 37.027 1.00 22.28 H new ATOM 0 HD2 HIS A 106 17.551 28.752 39.580 1.00 21.39 H new ATOM 0 HE1 HIS A 106 13.588 28.326 38.794 1.00 20.81 H new ATOM 0 HE2 HIS A 106 15.443 27.474 40.119 1.00 16.74 H new ATOM 808 N PHE A 107 19.704 33.575 37.356 1.00 22.41 N ATOM 809 CA PHE A 107 20.912 34.154 36.526 1.00 27.89 C ATOM 810 C PHE A 107 22.316 34.356 37.188 1.00 3.71 C ATOM 811 O PHE A 107 23.264 33.980 36.575 1.00 9.16 O ATOM 812 CB PHE A 107 20.689 35.379 35.676 1.00 12.06 C ATOM 813 CG PHE A 107 19.714 35.091 34.497 1.00 4.43 C ATOM 814 CD1 PHE A 107 18.339 34.885 34.731 1.00 13.72 C ATOM 815 CD2 PHE A 107 20.220 34.842 33.241 1.00 13.46 C ATOM 816 CE1 PHE A 107 17.442 34.403 33.705 1.00 17.14 C ATOM 817 CE2 PHE A 107 19.330 34.348 32.214 1.00 15.61 C ATOM 818 CZ PHE A 107 17.928 34.127 32.461 1.00 7.29 C ATOM 0 H PHE A 107 19.028 34.106 37.348 1.00 22.41 H new ATOM 0 HA PHE A 107 20.937 33.349 35.985 1.00 27.89 H new ATOM 0 HB2 PHE A 107 20.331 36.094 36.225 1.00 12.06 H new ATOM 0 HB3 PHE A 107 21.539 35.689 35.325 1.00 12.06 H new ATOM 0 HD1 PHE A 107 17.997 35.066 35.577 1.00 13.72 H new ATOM 0 HD2 PHE A 107 21.119 34.989 33.056 1.00 13.46 H new ATOM 0 HE1 PHE A 107 16.539 34.282 33.892 1.00 17.14 H new ATOM 0 HE2 PHE A 107 19.673 34.168 31.369 1.00 15.61 H new ATOM 0 HZ PHE A 107 17.370 33.805 31.791 1.00 7.29 H new ATOM 819 N PRO A 108 22.451 34.704 38.458 1.00 13.46 N ATOM 820 CA PRO A 108 23.750 34.802 39.116 1.00 6.00 C ATOM 821 C PRO A 108 24.197 33.424 39.317 1.00 22.85 C ATOM 822 O PRO A 108 25.444 33.388 39.426 1.00 16.27 O ATOM 823 CB PRO A 108 23.538 35.433 40.484 1.00 21.93 C ATOM 824 CG PRO A 108 22.291 36.110 40.345 1.00 4.95 C ATOM 825 CD PRO A 108 21.496 35.284 39.302 1.00 3.00 C ATOM 0 HA PRO A 108 24.385 35.324 38.602 1.00 6.00 H new ATOM 0 HB2 PRO A 108 23.505 34.764 41.185 1.00 21.93 H new ATOM 0 HB3 PRO A 108 24.255 36.046 40.710 1.00 21.93 H new ATOM 0 HG2 PRO A 108 21.819 36.153 41.191 1.00 4.95 H new ATOM 0 HG3 PRO A 108 22.419 37.023 40.045 1.00 4.95 H new ATOM 0 HD2 PRO A 108 20.957 34.604 39.736 1.00 3.00 H new ATOM 0 HD3 PRO A 108 20.888 35.850 38.801 1.00 3.00 H new ATOM 826 N VAL A 109 23.216 32.348 39.474 1.00 12.36 N ATOM 827 CA VAL A 109 23.598 30.966 39.561 1.00 7.65 C ATOM 828 C VAL A 109 24.374 30.656 38.329 1.00 15.18 C ATOM 829 O VAL A 109 25.542 30.319 38.444 1.00 21.46 O ATOM 830 CB VAL A 109 22.354 29.870 39.687 1.00 22.72 C ATOM 831 CG1 VAL A 109 22.669 28.391 39.579 1.00 7.74 C ATOM 832 CG2 VAL A 109 21.584 30.109 40.961 1.00 12.74 C ATOM 0 H VAL A 109 22.368 32.481 39.522 1.00 12.36 H new ATOM 0 HA VAL A 109 24.099 30.870 40.386 1.00 7.65 H new ATOM 0 HB VAL A 109 21.842 30.052 38.884 1.00 22.72 H new ATOM 0 HG11 VAL A 109 21.851 27.878 39.671 1.00 7.74 H new ATOM 0 HG12 VAL A 109 23.070 28.208 38.715 1.00 7.74 H new ATOM 0 HG13 VAL A 109 23.288 28.140 40.282 1.00 7.74 H new ATOM 0 HG21 VAL A 109 20.860 29.466 41.027 1.00 12.74 H new ATOM 0 HG22 VAL A 109 22.177 30.007 41.722 1.00 12.74 H new ATOM 0 HG23 VAL A 109 21.218 31.007 40.955 1.00 12.74 H new ATOM 833 N VAL A 110 23.733 30.770 37.181 1.00 12.49 N ATOM 834 CA VAL A 110 24.433 30.440 35.945 1.00 20.31 C ATOM 835 C VAL A 110 25.754 31.406 35.665 1.00 9.03 C ATOM 836 O VAL A 110 26.832 30.985 35.295 1.00 14.47 O ATOM 837 CB VAL A 110 23.451 30.246 34.731 1.00 22.59 C ATOM 838 CG1 VAL A 110 24.106 30.154 33.315 1.00 12.40 C ATOM 839 CG2 VAL A 110 22.304 29.055 34.895 1.00 3.00 C ATOM 0 H VAL A 110 22.918 31.028 37.090 1.00 12.49 H new ATOM 0 HA VAL A 110 24.828 29.562 36.064 1.00 20.31 H new ATOM 0 HB VAL A 110 22.990 31.098 34.778 1.00 22.59 H new ATOM 0 HG11 VAL A 110 23.414 30.036 32.645 1.00 12.40 H new ATOM 0 HG12 VAL A 110 24.597 30.970 33.132 1.00 12.40 H new ATOM 0 HG13 VAL A 110 24.714 29.399 33.288 1.00 12.40 H new ATOM 0 HG21 VAL A 110 21.756 29.021 34.095 1.00 3.00 H new ATOM 0 HG22 VAL A 110 22.742 28.199 35.023 1.00 3.00 H new ATOM 0 HG23 VAL A 110 21.744 29.249 35.663 1.00 3.00 H new ATOM 840 N LYS A 111 25.788 32.655 36.119 1.00 12.97 N ATOM 841 CA LYS A 111 27.059 33.637 35.957 1.00 7.03 C ATOM 842 C LYS A 111 28.225 33.217 36.741 1.00 7.09 C ATOM 843 O LYS A 111 29.334 33.144 36.159 1.00 11.26 O ATOM 844 CB LYS A 111 26.791 35.019 36.494 1.00 5.47 C ATOM 845 CG LYS A 111 27.977 36.206 36.355 1.00 18.40 C ATOM 846 CD LYS A 111 27.467 37.495 36.912 1.00 6.93 C ATOM 847 CE LYS A 111 28.552 38.716 36.836 1.00 40.85 C ATOM 848 NZ LYS A 111 27.815 39.829 37.166 1.00 34.08 N ATOM 0 H LYS A 111 25.127 33.019 36.531 1.00 12.97 H new ATOM 0 HA LYS A 111 27.223 33.615 35.001 1.00 7.03 H new ATOM 0 HB2 LYS A 111 25.993 35.352 36.054 1.00 5.47 H new ATOM 0 HB3 LYS A 111 26.579 34.929 37.436 1.00 5.47 H new ATOM 0 HG2 LYS A 111 28.778 35.933 36.830 1.00 18.40 H new ATOM 0 HG3 LYS A 111 28.224 36.321 35.424 1.00 18.40 H new ATOM 0 HD2 LYS A 111 26.667 37.753 36.429 1.00 6.93 H new ATOM 0 HD3 LYS A 111 27.209 37.359 37.837 1.00 6.93 H new ATOM 0 HE2 LYS A 111 29.286 38.579 37.455 1.00 40.85 H new ATOM 0 HE3 LYS A 111 28.938 38.795 35.950 1.00 40.85 H new ATOM 0 HZ1 LYS A 111 28.357 40.531 37.247 1.00 34.08 H new ATOM 0 HZ2 LYS A 111 27.216 39.989 36.527 1.00 34.08 H new ATOM 0 HZ3 LYS A 111 27.394 39.689 37.938 1.00 34.08 H new ATOM 849 N GLU A 112 27.955 32.861 38.012 1.00 9.60 N ATOM 850 CA GLU A 112 29.031 32.403 38.803 1.00 3.00 C ATOM 851 C GLU A 112 29.536 31.148 38.302 1.00 7.15 C ATOM 852 O GLU A 112 30.789 31.099 38.218 1.00 15.05 O ATOM 853 CB GLU A 112 28.863 32.343 40.344 1.00 3.16 C ATOM 854 CG GLU A 112 28.532 33.670 40.946 1.00 33.43 C ATOM 855 CD GLU A 112 29.743 34.778 40.713 1.00 46.87 C ATOM 856 OE1 GLU A 112 30.900 34.459 40.945 1.00 23.27 O ATOM 857 OE2 GLU A 112 29.597 35.864 40.090 1.00 19.95 O ATOM 0 H GLU A 112 27.184 32.886 38.392 1.00 9.60 H new ATOM 0 HA GLU A 112 29.672 33.123 38.697 1.00 3.00 H new ATOM 0 HB2 GLU A 112 28.162 31.710 40.564 1.00 3.16 H new ATOM 0 HB3 GLU A 112 29.682 32.008 40.741 1.00 3.16 H new ATOM 0 HG2 GLU A 112 27.709 34.005 40.556 1.00 33.43 H new ATOM 0 HG3 GLU A 112 28.372 33.562 41.897 1.00 33.43 H new ATOM 858 N ALA A 113 28.583 30.254 37.767 1.00 13.60 N ATOM 859 CA ALA A 113 28.896 28.953 37.341 1.00 3.00 C ATOM 860 C ALA A 113 29.753 29.157 36.109 1.00 3.00 C ATOM 861 O ALA A 113 30.643 28.390 35.916 1.00 11.26 O ATOM 862 CB ALA A 113 27.510 28.077 36.988 1.00 11.59 C ATOM 0 H ALA A 113 27.753 30.456 37.671 1.00 13.60 H new ATOM 0 HA ALA A 113 29.355 28.441 38.025 1.00 3.00 H new ATOM 0 HB1 ALA A 113 27.756 27.185 36.697 1.00 11.59 H new ATOM 0 HB2 ALA A 113 26.955 28.016 37.781 1.00 11.59 H new ATOM 0 HB3 ALA A 113 27.017 28.522 36.281 1.00 11.59 H new ATOM 863 N ILE A 114 29.407 30.071 35.252 1.00 5.97 N ATOM 864 CA ILE A 114 30.214 30.476 33.989 1.00 14.86 C ATOM 865 C ILE A 114 31.675 31.160 34.273 1.00 13.64 C ATOM 866 O ILE A 114 32.663 30.797 33.645 1.00 12.63 O ATOM 867 CB ILE A 114 29.539 31.370 33.011 1.00 7.61 C ATOM 868 CG1 ILE A 114 28.308 30.528 32.345 1.00 7.67 C ATOM 869 CG2 ILE A 114 30.525 32.112 31.951 1.00 3.45 C ATOM 870 CD1 ILE A 114 27.559 31.403 31.476 1.00 4.67 C ATOM 0 H ILE A 114 28.681 30.523 35.338 1.00 5.97 H new ATOM 0 HA ILE A 114 30.310 29.591 33.604 1.00 14.86 H new ATOM 0 HB ILE A 114 29.182 32.141 33.480 1.00 7.61 H new ATOM 0 HG12 ILE A 114 28.651 29.772 31.844 1.00 7.67 H new ATOM 0 HG13 ILE A 114 27.732 30.171 33.039 1.00 7.67 H new ATOM 0 HG21 ILE A 114 30.000 32.670 31.357 1.00 3.45 H new ATOM 0 HG22 ILE A 114 31.162 32.663 32.432 1.00 3.45 H new ATOM 0 HG23 ILE A 114 31.002 31.446 31.431 1.00 3.45 H new ATOM 0 HD11 ILE A 114 26.825 30.911 31.076 1.00 4.67 H new ATOM 0 HD12 ILE A 114 27.207 32.146 31.990 1.00 4.67 H new ATOM 0 HD13 ILE A 114 28.141 31.741 30.777 1.00 4.67 H new ATOM 871 N LEU A 115 31.816 32.061 35.269 1.00 11.91 N ATOM 872 CA LEU A 115 33.126 32.825 35.692 1.00 10.61 C ATOM 873 C LEU A 115 34.039 31.923 36.322 1.00 6.96 C ATOM 874 O LEU A 115 35.225 31.951 35.897 1.00 16.17 O ATOM 875 CB LEU A 115 32.962 33.989 36.665 1.00 10.53 C ATOM 876 CG LEU A 115 32.297 35.124 36.007 1.00 7.60 C ATOM 877 CD1 LEU A 115 32.112 36.235 37.024 1.00 8.70 C ATOM 878 CD2 LEU A 115 33.168 35.762 34.879 1.00 6.45 C ATOM 0 H LEU A 115 31.147 32.282 35.762 1.00 11.91 H new ATOM 0 HA LEU A 115 33.439 33.192 34.850 1.00 10.61 H new ATOM 0 HB2 LEU A 115 32.442 33.704 37.433 1.00 10.53 H new ATOM 0 HB3 LEU A 115 33.831 34.265 36.997 1.00 10.53 H new ATOM 0 HG LEU A 115 31.468 34.780 35.638 1.00 7.60 H new ATOM 0 HD11 LEU A 115 31.674 36.991 36.602 1.00 8.70 H new ATOM 0 HD12 LEU A 115 31.566 35.914 37.759 1.00 8.70 H new ATOM 0 HD13 LEU A 115 32.978 36.512 37.362 1.00 8.70 H new ATOM 0 HD21 LEU A 115 32.687 36.503 34.478 1.00 6.45 H new ATOM 0 HD22 LEU A 115 34.001 36.085 35.257 1.00 6.45 H new ATOM 0 HD23 LEU A 115 33.358 35.095 34.200 1.00 6.45 H new ATOM 879 N LYS A 116 33.422 31.001 37.161 1.00 6.18 N ATOM 880 CA LYS A 116 34.120 29.981 37.675 1.00 3.00 C ATOM 881 C LYS A 116 34.594 29.023 36.663 1.00 10.23 C ATOM 882 O LYS A 116 35.731 28.689 36.822 1.00 14.14 O ATOM 883 CB LYS A 116 33.375 29.237 38.831 1.00 5.12 C ATOM 884 CG LYS A 116 33.227 30.192 40.026 1.00 35.52 C ATOM 885 CD LYS A 116 32.436 29.395 41.176 1.00 38.29 C ATOM 886 CE LYS A 116 32.042 30.277 42.314 1.00 40.38 C ATOM 887 NZ LYS A 116 31.354 29.427 43.380 0.00 0.00 N ATOM 0 H LYS A 116 32.594 31.027 37.391 1.00 6.18 H new ATOM 0 HA LYS A 116 34.904 30.404 38.060 1.00 3.00 H new ATOM 0 HB2 LYS A 116 32.502 28.939 38.530 1.00 5.12 H new ATOM 0 HB3 LYS A 116 33.870 28.445 39.094 1.00 5.12 H new ATOM 0 HG2 LYS A 116 34.097 30.479 40.345 1.00 35.52 H new ATOM 0 HG3 LYS A 116 32.742 30.991 39.768 1.00 35.52 H new ATOM 0 HD2 LYS A 116 31.642 28.988 40.796 1.00 38.29 H new ATOM 0 HD3 LYS A 116 32.993 28.674 41.507 1.00 38.29 H new ATOM 0 HE2 LYS A 116 32.824 30.714 42.686 1.00 40.38 H new ATOM 0 HE3 LYS A 116 31.445 30.977 42.006 1.00 40.38 H new ATOM 0 HZ1 LYS A 116 31.115 29.944 44.064 0.00 0.00 H new ATOM 0 HZ2 LYS A 116 30.631 29.043 43.032 0.00 0.00 H new ATOM 0 HZ3 LYS A 116 31.915 28.798 43.666 0.00 0.00 H new ATOM 888 N THR A 117 33.724 28.533 35.731 1.00 7.07 N ATOM 889 CA THR A 117 33.976 27.657 34.637 1.00 12.53 C ATOM 890 C THR A 117 35.167 28.360 33.796 1.00 21.84 C ATOM 891 O THR A 117 36.145 27.749 33.559 1.00 14.93 O ATOM 892 CB THR A 117 32.724 27.206 33.710 1.00 10.48 C ATOM 893 OG1 THR A 117 31.661 26.403 34.408 1.00 9.70 O ATOM 894 CG2 THR A 117 32.999 26.381 32.445 1.00 9.57 C ATOM 0 H THR A 117 32.893 28.752 35.761 1.00 7.07 H new ATOM 0 HA THR A 117 34.216 26.790 35.000 1.00 12.53 H new ATOM 0 HB THR A 117 32.447 28.104 33.470 1.00 10.48 H new ATOM 0 HG1 THR A 117 31.219 26.905 34.917 1.00 9.70 H new ATOM 0 HG21 THR A 117 32.161 26.187 31.996 1.00 9.57 H new ATOM 0 HG22 THR A 117 33.576 26.884 31.849 1.00 9.57 H new ATOM 0 HG23 THR A 117 33.434 25.549 32.689 1.00 9.57 H new ATOM 895 N ILE A 118 35.133 29.623 33.395 1.00 20.22 N ATOM 896 CA ILE A 118 36.220 30.337 32.563 1.00 11.98 C ATOM 897 C ILE A 118 37.560 30.585 33.329 1.00 12.99 C ATOM 898 O ILE A 118 38.593 30.256 32.783 1.00 15.21 O ATOM 899 CB ILE A 118 35.881 31.678 32.036 1.00 7.93 C ATOM 900 CG1 ILE A 118 34.674 31.438 31.044 1.00 3.00 C ATOM 901 CG2 ILE A 118 37.135 32.517 31.394 1.00 22.71 C ATOM 902 CD1 ILE A 118 34.990 30.614 29.776 1.00 9.01 C ATOM 0 H ILE A 118 34.473 30.140 33.584 1.00 20.22 H new ATOM 0 HA ILE A 118 36.301 29.692 31.843 1.00 11.98 H new ATOM 0 HB ILE A 118 35.630 32.274 32.759 1.00 7.93 H new ATOM 0 HG12 ILE A 118 33.964 30.990 31.530 1.00 3.00 H new ATOM 0 HG13 ILE A 118 34.329 32.302 30.769 1.00 3.00 H new ATOM 0 HG21 ILE A 118 36.820 33.378 31.076 1.00 22.71 H new ATOM 0 HG22 ILE A 118 37.815 32.652 32.072 1.00 22.71 H new ATOM 0 HG23 ILE A 118 37.513 32.018 30.653 1.00 22.71 H new ATOM 0 HD11 ILE A 118 34.187 30.526 29.239 1.00 9.01 H new ATOM 0 HD12 ILE A 118 35.676 31.065 29.259 1.00 9.01 H new ATOM 0 HD13 ILE A 118 35.305 29.733 30.032 1.00 9.01 H new ATOM 903 N LYS A 119 37.438 30.669 34.630 1.00 13.83 N ATOM 904 CA LYS A 119 38.588 30.711 35.532 1.00 16.14 C ATOM 905 C LYS A 119 39.283 29.463 35.510 1.00 22.53 C ATOM 906 O LYS A 119 40.543 29.566 35.328 1.00 11.32 O ATOM 907 CB LYS A 119 38.278 31.094 36.981 1.00 17.89 C ATOM 908 CG LYS A 119 39.627 31.566 37.677 1.00 23.27 C ATOM 909 CD LYS A 119 39.462 32.050 39.101 1.00 24.42 C ATOM 910 CE LYS A 119 38.475 33.085 39.219 0.00 0.00 C ATOM 911 NZ LYS A 119 38.385 33.501 40.621 0.00 0.00 N ATOM 0 H LYS A 119 36.679 30.704 35.032 1.00 13.83 H new ATOM 0 HA LYS A 119 39.141 31.429 35.186 1.00 16.14 H new ATOM 0 HB2 LYS A 119 37.618 31.804 37.008 1.00 17.89 H new ATOM 0 HB3 LYS A 119 37.900 30.338 37.456 1.00 17.89 H new ATOM 0 HG2 LYS A 119 40.257 30.828 37.669 1.00 23.27 H new ATOM 0 HG3 LYS A 119 40.018 32.279 37.148 1.00 23.27 H new ATOM 0 HD2 LYS A 119 39.212 31.303 39.666 1.00 24.42 H new ATOM 0 HD3 LYS A 119 40.313 32.380 39.428 1.00 24.42 H new ATOM 0 HE2 LYS A 119 38.714 33.841 38.660 0.00 0.00 H new ATOM 0 HE3 LYS A 119 37.614 32.764 38.909 0.00 0.00 H new ATOM 0 HZ1 LYS A 119 37.774 34.143 40.702 0.00 0.00 H new ATOM 0 HZ2 LYS A 119 38.151 32.805 41.123 0.00 0.00 H new ATOM 0 HZ3 LYS A 119 39.175 33.808 40.891 0.00 0.00 H new ATOM 912 N GLU A 120 38.449 28.316 35.478 1.00 20.46 N ATOM 913 CA GLU A 120 38.959 27.042 35.397 1.00 12.24 C ATOM 914 C GLU A 120 39.493 26.762 34.012 1.00 14.76 C ATOM 915 O GLU A 120 40.453 26.101 33.884 1.00 23.06 O ATOM 916 CB GLU A 120 37.959 25.826 35.954 1.00 15.84 C ATOM 917 CG GLU A 120 37.512 26.110 37.374 1.00 42.13 C ATOM 918 CD GLU A 120 36.439 24.946 37.847 1.00 49.24 C ATOM 919 OE1 GLU A 120 36.066 24.950 39.047 1.00 37.40 O ATOM 920 OE2 GLU A 120 36.281 23.840 37.223 1.00 38.30 O ATOM 0 H GLU A 120 37.590 28.350 35.507 1.00 20.46 H new ATOM 0 HA GLU A 120 39.698 27.026 36.026 1.00 12.24 H new ATOM 0 HB2 GLU A 120 37.184 25.747 35.376 1.00 15.84 H new ATOM 0 HB3 GLU A 120 38.426 24.976 35.920 1.00 15.84 H new ATOM 0 HG2 GLU A 120 38.277 26.121 37.970 1.00 42.13 H new ATOM 0 HG3 GLU A 120 37.099 26.986 37.426 1.00 42.13 H new ATOM 921 N VAL A 121 38.892 27.210 33.020 1.00 11.05 N ATOM 922 CA VAL A 121 39.299 26.938 31.659 1.00 11.46 C ATOM 923 C VAL A 121 40.708 27.706 31.383 1.00 18.02 C ATOM 924 O VAL A 121 41.516 27.146 30.673 1.00 20.70 O ATOM 925 CB VAL A 121 38.255 27.295 30.633 1.00 9.80 C ATOM 926 CG1 VAL A 121 38.788 27.281 29.211 1.00 9.47 C ATOM 927 CG2 VAL A 121 36.809 26.388 30.708 1.00 13.43 C ATOM 0 H VAL A 121 38.195 27.711 33.079 1.00 11.05 H new ATOM 0 HA VAL A 121 39.415 25.980 31.562 1.00 11.46 H new ATOM 0 HB VAL A 121 38.024 28.204 30.880 1.00 9.80 H new ATOM 0 HG11 VAL A 121 38.076 27.517 28.596 1.00 9.47 H new ATOM 0 HG12 VAL A 121 39.511 27.923 29.130 1.00 9.47 H new ATOM 0 HG13 VAL A 121 39.118 26.394 28.998 1.00 9.47 H new ATOM 0 HG21 VAL A 121 36.202 26.688 30.013 1.00 13.43 H new ATOM 0 HG22 VAL A 121 37.009 25.448 30.578 1.00 13.43 H new ATOM 0 HG23 VAL A 121 36.393 26.513 31.575 1.00 13.43 H new ATOM 928 N VAL A 122 40.991 28.989 31.866 1.00 16.40 N ATOM 929 CA VAL A 122 42.215 29.882 31.331 1.00 3.00 C ATOM 930 C VAL A 122 43.403 29.837 32.270 1.00 11.99 C ATOM 931 O VAL A 122 44.605 30.122 31.895 1.00 18.06 O ATOM 932 CB VAL A 122 41.967 31.320 31.078 1.00 8.10 C ATOM 933 CG1 VAL A 122 40.905 31.360 29.930 1.00 9.38 C ATOM 934 CG2 VAL A 122 41.567 31.944 32.380 1.00 9.45 C ATOM 0 H VAL A 122 40.525 29.374 32.478 1.00 16.40 H new ATOM 0 HA VAL A 122 42.374 29.459 30.473 1.00 3.00 H new ATOM 0 HB VAL A 122 42.730 31.838 30.778 1.00 8.10 H new ATOM 0 HG11 VAL A 122 40.696 32.282 29.714 1.00 9.38 H new ATOM 0 HG12 VAL A 122 41.261 30.917 29.144 1.00 9.38 H new ATOM 0 HG13 VAL A 122 40.098 30.906 30.219 1.00 9.38 H new ATOM 0 HG21 VAL A 122 41.397 32.890 32.247 1.00 9.45 H new ATOM 0 HG22 VAL A 122 40.763 31.515 32.711 1.00 9.45 H new ATOM 0 HG23 VAL A 122 42.282 31.832 33.026 1.00 9.45 H new ATOM 935 N GLY A 123 43.022 29.246 33.393 1.00 11.80 N ATOM 936 CA GLY A 123 43.989 29.060 34.405 1.00 22.32 C ATOM 937 C GLY A 123 44.951 30.364 34.644 1.00 27.09 C ATOM 938 O GLY A 123 44.500 31.413 35.026 1.00 22.70 O ATOM 0 H GLY A 123 42.230 28.960 33.568 1.00 11.80 H new ATOM 0 HA2 GLY A 123 43.538 28.844 35.236 1.00 22.32 H new ATOM 0 HA3 GLY A 123 44.543 28.297 34.176 1.00 22.32 H new ATOM 939 N ALA A 124 46.221 30.218 34.505 1.00 21.81 N ATOM 940 CA ALA A 124 47.308 31.276 34.941 1.00 16.63 C ATOM 941 C ALA A 124 47.359 32.549 34.123 1.00 14.36 C ATOM 942 O ALA A 124 48.086 33.584 34.568 1.00 19.36 O ATOM 943 CB ALA A 124 48.681 30.830 34.767 1.00 17.80 C ATOM 0 H ALA A 124 46.565 29.512 34.155 1.00 21.81 H new ATOM 0 HA ALA A 124 47.024 31.410 35.859 1.00 16.63 H new ATOM 0 HB1 ALA A 124 49.288 31.530 35.055 1.00 17.80 H new ATOM 0 HB2 ALA A 124 48.832 30.033 35.298 1.00 17.80 H new ATOM 0 HB3 ALA A 124 48.840 30.629 33.831 1.00 17.80 H new ATOM 944 N LYS A 125 46.617 32.402 32.992 1.00 14.96 N ATOM 945 CA LYS A 125 46.484 33.582 32.156 1.00 11.96 C ATOM 946 C LYS A 125 45.505 34.462 32.709 1.00 11.73 C ATOM 947 O LYS A 125 45.207 35.428 32.029 1.00 15.41 O ATOM 948 CB LYS A 125 46.216 33.231 30.684 1.00 19.08 C ATOM 949 CG LYS A 125 47.260 32.347 30.209 1.00 36.69 C ATOM 950 CD LYS A 125 47.169 32.129 28.687 1.00 30.97 C ATOM 951 CE LYS A 125 45.803 31.306 28.307 1.00 36.65 C ATOM 952 NZ LYS A 125 45.643 29.937 28.927 1.00 36.70 N ATOM 0 H LYS A 125 46.222 31.687 32.724 1.00 14.96 H new ATOM 0 HA LYS A 125 47.333 34.051 32.150 1.00 11.96 H new ATOM 0 HB2 LYS A 125 45.350 32.804 30.594 1.00 19.08 H new ATOM 0 HB3 LYS A 125 46.191 34.038 30.147 1.00 19.08 H new ATOM 0 HG2 LYS A 125 48.127 32.720 30.432 1.00 36.69 H new ATOM 0 HG3 LYS A 125 47.193 31.493 30.664 1.00 36.69 H new ATOM 0 HD2 LYS A 125 47.175 32.985 28.231 1.00 30.97 H new ATOM 0 HD3 LYS A 125 47.946 31.638 28.378 1.00 30.97 H new ATOM 0 HE2 LYS A 125 45.041 31.847 28.566 1.00 36.65 H new ATOM 0 HE3 LYS A 125 45.766 31.208 27.343 1.00 36.65 H new ATOM 0 HZ1 LYS A 125 45.244 29.393 28.346 1.00 36.70 H new ATOM 0 HZ2 LYS A 125 46.444 29.611 29.137 1.00 36.70 H new ATOM 0 HZ3 LYS A 125 45.146 30.000 29.663 1.00 36.70 H new ATOM 953 N TRP A 126 44.895 34.052 33.858 1.00 12.59 N ATOM 954 CA TRP A 126 43.788 34.749 34.323 1.00 13.50 C ATOM 955 C TRP A 126 44.334 36.177 34.796 1.00 19.96 C ATOM 956 O TRP A 126 45.517 36.402 35.279 1.00 21.83 O ATOM 957 CB TRP A 126 43.041 33.929 35.486 1.00 8.24 C ATOM 958 CG TRP A 126 41.753 34.511 35.796 1.00 19.46 C ATOM 959 CD1 TRP A 126 40.518 34.306 35.171 1.00 27.40 C ATOM 960 CD2 TRP A 126 41.602 35.318 36.899 1.00 21.64 C ATOM 961 NE1 TRP A 126 39.590 34.950 35.908 1.00 28.16 N ATOM 962 CE2 TRP A 126 40.239 35.531 36.917 1.00 18.15 C ATOM 963 CE3 TRP A 126 42.525 35.855 37.838 1.00 23.14 C ATOM 964 CZ2 TRP A 126 39.777 36.335 37.852 1.00 32.56 C ATOM 965 CZ3 TRP A 126 42.043 36.680 38.788 1.00 41.68 C ATOM 966 CH2 TRP A 126 40.725 36.924 38.786 1.00 44.46 C ATOM 0 H TRP A 126 45.139 33.381 34.337 1.00 12.59 H new ATOM 0 HA TRP A 126 43.113 34.869 33.637 1.00 13.50 H new ATOM 0 HB2 TRP A 126 42.923 33.007 35.210 1.00 8.24 H new ATOM 0 HB3 TRP A 126 43.594 33.918 36.283 1.00 8.24 H new ATOM 0 HD1 TRP A 126 40.366 33.818 34.394 1.00 27.40 H new ATOM 0 HE1 TRP A 126 38.744 34.980 35.756 1.00 28.16 H new ATOM 0 HE3 TRP A 126 43.430 35.644 37.798 1.00 23.14 H new ATOM 0 HZ2 TRP A 126 38.868 36.522 37.914 1.00 32.56 H new ATOM 0 HZ3 TRP A 126 42.604 37.066 39.422 1.00 41.68 H new ATOM 0 HH2 TRP A 126 40.393 37.511 39.426 1.00 44.46 H new ATOM 967 N SER A 127 43.572 37.126 34.538 1.00 15.14 N ATOM 968 CA SER A 127 43.964 38.576 34.919 1.00 10.66 C ATOM 969 C SER A 127 42.739 39.215 35.307 1.00 24.76 C ATOM 970 O SER A 127 41.572 38.721 34.904 1.00 15.97 O ATOM 971 CB SER A 127 44.662 39.416 33.742 1.00 6.98 C ATOM 972 OG SER A 127 43.728 39.548 32.688 1.00 12.95 O ATOM 0 H SER A 127 42.810 37.047 34.148 1.00 15.14 H new ATOM 0 HA SER A 127 44.631 38.544 35.622 1.00 10.66 H new ATOM 0 HB2 SER A 127 44.936 40.289 34.064 1.00 6.98 H new ATOM 0 HB3 SER A 127 45.462 38.965 33.432 1.00 6.98 H new ATOM 0 HG SER A 127 44.112 39.864 32.011 1.00 12.95 H new ATOM 973 N GLU A 128 43.028 40.344 35.976 1.00 22.86 N ATOM 974 CA GLU A 128 41.931 41.096 36.347 1.00 10.28 C ATOM 975 C GLU A 128 41.263 41.599 35.148 1.00 8.61 C ATOM 976 O GLU A 128 40.027 41.662 35.220 1.00 24.48 O ATOM 977 CB GLU A 128 42.340 42.296 37.291 1.00 23.78 C ATOM 978 CG GLU A 128 42.909 41.775 38.595 1.00 58.90 C ATOM 979 CD GLU A 128 43.460 42.984 39.467 0.00 0.00 C ATOM 980 OE1 GLU A 128 44.474 42.931 40.196 0.00 0.00 O ATOM 981 OE2 GLU A 128 42.788 43.937 39.621 0.00 0.00 O ATOM 0 H GLU A 128 43.806 40.640 36.192 1.00 22.86 H new ATOM 0 HA GLU A 128 41.324 40.528 36.847 1.00 10.28 H new ATOM 0 HB2 GLU A 128 42.996 42.856 36.846 1.00 23.78 H new ATOM 0 HB3 GLU A 128 41.566 42.853 37.469 1.00 23.78 H new ATOM 0 HG2 GLU A 128 42.224 41.297 39.088 1.00 58.90 H new ATOM 0 HG3 GLU A 128 43.623 41.143 38.416 1.00 58.90 H new ATOM 982 N GLU A 129 42.090 42.084 34.203 1.00 4.45 N ATOM 983 CA GLU A 129 41.637 42.606 32.946 1.00 5.41 C ATOM 984 C GLU A 129 40.618 41.527 32.263 1.00 12.80 C ATOM 985 O GLU A 129 39.644 41.825 31.618 1.00 10.98 O ATOM 986 CB GLU A 129 42.870 42.884 32.003 1.00 14.25 C ATOM 987 CG GLU A 129 42.524 43.587 30.702 1.00 35.61 C ATOM 988 CD GLU A 129 42.606 45.068 31.063 1.00 41.59 C ATOM 989 OE1 GLU A 129 43.363 45.898 30.364 1.00 49.07 O ATOM 990 OE2 GLU A 129 41.764 45.467 31.834 1.00 36.24 O ATOM 0 H GLU A 129 42.944 42.110 34.297 1.00 4.45 H new ATOM 0 HA GLU A 129 41.169 43.444 33.084 1.00 5.41 H new ATOM 0 HB2 GLU A 129 43.517 43.422 32.486 1.00 14.25 H new ATOM 0 HB3 GLU A 129 43.301 42.040 31.796 1.00 14.25 H new ATOM 0 HG2 GLU A 129 43.147 43.357 29.995 1.00 35.61 H new ATOM 0 HG3 GLU A 129 41.638 43.344 30.390 1.00 35.61 H new ATOM 991 N LEU A 130 40.895 40.297 32.335 1.00 19.90 N ATOM 992 CA LEU A 130 39.997 39.186 31.666 1.00 23.90 C ATOM 993 C LEU A 130 38.646 38.876 32.423 1.00 5.39 C ATOM 994 O LEU A 130 37.594 38.617 31.779 1.00 14.68 O ATOM 995 CB LEU A 130 40.725 37.931 31.691 1.00 12.57 C ATOM 996 CG LEU A 130 39.909 36.662 31.102 1.00 7.63 C ATOM 997 CD1 LEU A 130 39.639 36.790 29.588 1.00 15.66 C ATOM 998 CD2 LEU A 130 40.676 35.465 31.328 1.00 24.92 C ATOM 0 H LEU A 130 41.583 39.989 32.749 1.00 19.90 H new ATOM 0 HA LEU A 130 39.790 39.528 30.782 1.00 23.90 H new ATOM 0 HB2 LEU A 130 41.545 38.037 31.183 1.00 12.57 H new ATOM 0 HB3 LEU A 130 40.981 37.738 32.606 1.00 12.57 H new ATOM 0 HG LEU A 130 39.054 36.627 31.559 1.00 7.63 H new ATOM 0 HD11 LEU A 130 39.150 36.011 29.279 1.00 15.66 H new ATOM 0 HD12 LEU A 130 39.115 37.588 29.419 1.00 15.66 H new ATOM 0 HD13 LEU A 130 40.482 36.851 29.113 1.00 15.66 H new ATOM 0 HD21 LEU A 130 40.193 34.700 30.978 1.00 24.92 H new ATOM 0 HD22 LEU A 130 41.533 35.540 30.879 1.00 24.92 H new ATOM 0 HD23 LEU A 130 40.820 35.348 32.280 1.00 24.92 H new ATOM 999 N ASN A 131 38.701 38.731 33.717 1.00 17.05 N ATOM 1000 CA ASN A 131 37.517 38.516 34.571 1.00 10.66 C ATOM 1001 C ASN A 131 36.683 39.661 34.347 1.00 12.26 C ATOM 1002 O ASN A 131 35.415 39.403 34.317 1.00 18.03 O ATOM 1003 CB ASN A 131 37.986 38.686 36.035 1.00 4.26 C ATOM 1004 CG ASN A 131 36.731 38.450 36.886 1.00 23.44 C ATOM 1005 OD1 ASN A 131 36.418 39.361 37.627 1.00 24.46 O ATOM 1006 ND2 ASN A 131 36.183 37.201 36.904 1.00 23.03 N ATOM 0 H ASN A 131 39.440 38.752 34.157 1.00 17.05 H new ATOM 0 HA ASN A 131 37.092 37.661 34.399 1.00 10.66 H new ATOM 0 HB2 ASN A 131 38.684 38.050 36.256 1.00 4.26 H new ATOM 0 HB3 ASN A 131 38.351 39.572 36.186 1.00 4.26 H new ATOM 0 HD21 ASN A 131 35.566 37.010 37.472 1.00 23.03 H new ATOM 0 HD22 ASN A 131 36.455 36.604 36.348 1.00 23.03 H new ATOM 1007 N SER A 132 37.367 40.900 34.145 1.00 6.89 N ATOM 1008 CA SER A 132 36.575 41.995 33.990 1.00 3.38 C ATOM 1009 C SER A 132 35.880 41.891 32.635 1.00 5.65 C ATOM 1010 O SER A 132 34.731 42.284 32.477 1.00 19.12 O ATOM 1011 CB SER A 132 37.446 43.396 34.114 1.00 3.44 C ATOM 1012 OG ASER A 132 38.379 43.580 33.011 0.33 10.38 O ATOM 1013 OG BSER A 132 38.109 43.412 35.348 0.33 3.00 O ATOM 1014 OG CSER A 132 37.189 44.253 33.041 0.33 15.02 O ATOM 0 H SER A 132 38.218 41.022 34.112 1.00 6.89 H new ATOM 0 HA SER A 132 35.913 42.022 34.698 1.00 3.38 H new ATOM 0 HB2ASER A 132 36.836 44.150 34.145 0.33 3.44 H new ATOM 0 HB2BSER A 132 38.087 43.458 33.388 0.33 3.44 H new ATOM 0 HB2CSER A 132 37.226 43.843 34.947 0.33 3.44 H new ATOM 0 HB3ASER A 132 37.937 43.394 34.951 0.33 3.44 H new ATOM 0 HB3BSER A 132 36.858 44.164 34.039 0.33 3.44 H new ATOM 0 HB3CSER A 132 38.393 43.188 34.145 0.33 3.44 H new ATOM 0 HG ASER A 132 38.475 42.853 32.601 0.33 15.02 H new ATOM 0 HG BSER A 132 38.727 42.843 35.342 0.33 15.02 H new ATOM 0 HG CSER A 132 37.641 44.955 33.129 0.33 15.02 H new ATOM 1015 N ALA A 133 36.598 41.488 31.653 1.00 14.13 N ATOM 1016 CA ALA A 133 35.985 41.367 30.311 1.00 20.39 C ATOM 1017 C ALA A 133 34.723 40.256 30.186 1.00 12.66 C ATOM 1018 O ALA A 133 33.681 40.497 29.594 1.00 15.87 O ATOM 1019 CB ALA A 133 37.020 41.069 29.287 1.00 10.03 C ATOM 0 H ALA A 133 37.430 41.274 31.702 1.00 14.13 H new ATOM 0 HA ALA A 133 35.581 42.234 30.151 1.00 20.39 H new ATOM 0 HB1 ALA A 133 36.601 40.993 28.416 1.00 10.03 H new ATOM 0 HB2 ALA A 133 37.674 41.785 29.270 1.00 10.03 H new ATOM 0 HB3 ALA A 133 37.462 40.234 29.507 1.00 10.03 H new ATOM 1020 N TRP A 134 34.730 39.109 30.837 1.00 13.03 N ATOM 1021 CA TRP A 134 33.604 38.010 30.745 1.00 3.00 C ATOM 1022 C TRP A 134 32.452 38.403 31.570 1.00 13.99 C ATOM 1023 O TRP A 134 31.273 38.070 31.146 1.00 17.82 O ATOM 1024 CB TRP A 134 34.004 36.709 31.324 1.00 8.11 C ATOM 1025 CG TRP A 134 34.711 35.895 30.309 1.00 3.47 C ATOM 1026 CD1 TRP A 134 36.030 35.931 30.110 1.00 4.80 C ATOM 1027 CD2 TRP A 134 34.069 34.992 29.329 1.00 4.40 C ATOM 1028 NE1 TRP A 134 36.223 35.076 29.034 1.00 9.94 N ATOM 1029 CE2 TRP A 134 35.070 34.491 28.615 1.00 14.56 C ATOM 1030 CE3 TRP A 134 32.714 34.596 29.035 1.00 19.93 C ATOM 1031 CZ2 TRP A 134 34.777 33.522 27.603 1.00 13.20 C ATOM 1032 CZ3 TRP A 134 32.409 33.673 27.997 1.00 6.22 C ATOM 1033 CH2 TRP A 134 33.416 33.141 27.281 1.00 10.29 C ATOM 0 H TRP A 134 35.370 38.887 31.367 1.00 13.03 H new ATOM 0 HA TRP A 134 33.415 37.930 29.797 1.00 3.00 H new ATOM 0 HB2 TRP A 134 34.579 36.852 32.092 1.00 8.11 H new ATOM 0 HB3 TRP A 134 33.220 36.234 31.641 1.00 8.11 H new ATOM 0 HD1 TRP A 134 36.669 36.415 30.581 1.00 4.80 H new ATOM 0 HE1 TRP A 134 36.989 34.932 28.671 1.00 9.94 H new ATOM 0 HE3 TRP A 134 32.019 34.955 29.539 1.00 19.93 H new ATOM 0 HZ2 TRP A 134 35.479 33.126 27.139 1.00 13.20 H new ATOM 0 HZ3 TRP A 134 31.527 33.441 27.816 1.00 6.22 H new ATOM 0 HH2 TRP A 134 33.242 32.540 26.593 1.00 10.29 H new ATOM 1034 N THR A 135 32.814 39.206 32.626 1.00 11.52 N ATOM 1035 CA THR A 135 31.811 39.739 33.492 1.00 10.92 C ATOM 1036 C THR A 135 30.991 40.736 32.819 1.00 3.00 C ATOM 1037 O THR A 135 29.730 40.533 32.837 1.00 17.79 O ATOM 1038 CB THR A 135 32.484 40.321 34.759 1.00 9.61 C ATOM 1039 OG1 THR A 135 33.050 39.333 35.536 1.00 10.51 O ATOM 1040 CG2 THR A 135 31.539 40.941 35.680 1.00 23.70 C ATOM 0 H THR A 135 33.622 39.426 32.821 1.00 11.52 H new ATOM 0 HA THR A 135 31.213 39.022 33.753 1.00 10.92 H new ATOM 0 HB THR A 135 33.124 40.956 34.400 1.00 9.61 H new ATOM 0 HG1 THR A 135 33.842 39.202 35.290 1.00 10.51 H new ATOM 0 HG21 THR A 135 32.017 41.286 36.451 1.00 23.70 H new ATOM 0 HG22 THR A 135 31.081 41.669 35.232 1.00 23.70 H new ATOM 0 HG23 THR A 135 30.890 40.281 35.971 1.00 23.70 H new ATOM 1041 N ILE A 136 31.638 41.653 32.058 1.00 10.74 N ATOM 1042 CA ILE A 136 31.010 42.582 31.294 1.00 8.41 C ATOM 1043 C ILE A 136 30.117 41.862 30.205 1.00 3.00 C ATOM 1044 O ILE A 136 28.935 42.126 30.079 1.00 18.42 O ATOM 1045 CB ILE A 136 32.136 43.634 30.692 1.00 21.03 C ATOM 1046 CG1 ILE A 136 32.975 44.481 31.805 1.00 27.52 C ATOM 1047 CG2 ILE A 136 31.601 44.628 29.726 1.00 16.59 C ATOM 1048 CD1 ILE A 136 34.147 45.455 31.172 1.00 18.68 C ATOM 0 H ILE A 136 32.496 41.700 32.015 1.00 10.74 H new ATOM 0 HA ILE A 136 30.393 43.119 31.815 1.00 8.41 H new ATOM 0 HB ILE A 136 32.730 43.011 30.245 1.00 21.03 H new ATOM 0 HG12 ILE A 136 32.356 45.026 32.315 1.00 27.52 H new ATOM 0 HG13 ILE A 136 33.386 43.860 32.427 1.00 27.52 H new ATOM 0 HG21 ILE A 136 32.320 45.204 29.422 1.00 16.59 H new ATOM 0 HG22 ILE A 136 31.215 44.165 28.966 1.00 16.59 H new ATOM 0 HG23 ILE A 136 30.918 45.165 30.158 1.00 16.59 H new ATOM 0 HD11 ILE A 136 34.601 45.924 31.890 1.00 18.68 H new ATOM 0 HD12 ILE A 136 34.788 44.915 30.683 1.00 18.68 H new ATOM 0 HD13 ILE A 136 33.742 46.099 30.570 1.00 18.68 H new ATOM 1049 N ALA A 137 30.711 41.059 29.431 1.00 9.42 N ATOM 1050 CA ALA A 137 29.965 40.298 28.352 1.00 6.38 C ATOM 1051 C ALA A 137 28.665 39.442 28.915 1.00 21.60 C ATOM 1052 O ALA A 137 27.576 39.286 28.264 1.00 11.03 O ATOM 1053 CB ALA A 137 30.884 39.370 27.752 1.00 8.40 C ATOM 0 H ALA A 137 31.555 40.895 29.464 1.00 9.42 H new ATOM 0 HA ALA A 137 29.622 40.953 27.724 1.00 6.38 H new ATOM 0 HB1 ALA A 137 30.430 38.869 27.056 1.00 8.40 H new ATOM 0 HB2 ALA A 137 31.629 39.856 27.366 1.00 8.40 H new ATOM 0 HB3 ALA A 137 31.214 38.758 28.428 1.00 8.40 H new ATOM 1054 N TYR A 138 28.769 38.805 30.069 1.00 5.99 N ATOM 1055 CA TYR A 138 27.600 37.929 30.603 1.00 4.63 C ATOM 1056 C TYR A 138 26.525 38.779 31.121 1.00 9.43 C ATOM 1057 O TYR A 138 25.338 38.559 30.675 1.00 22.11 O ATOM 1058 CB TYR A 138 28.057 37.101 31.784 1.00 7.89 C ATOM 1059 CG TYR A 138 26.764 36.185 32.326 1.00 19.69 C ATOM 1060 CD1 TYR A 138 25.897 36.678 33.213 1.00 10.80 C ATOM 1061 CD2 TYR A 138 26.471 34.854 31.906 1.00 19.24 C ATOM 1062 CE1 TYR A 138 24.714 35.864 33.650 1.00 4.39 C ATOM 1063 CE2 TYR A 138 25.324 34.002 32.399 1.00 8.03 C ATOM 1064 CZ TYR A 138 24.453 34.516 33.255 1.00 8.68 C ATOM 1065 OH TYR A 138 23.332 33.638 33.824 1.00 11.52 O ATOM 0 H TYR A 138 29.461 38.833 30.578 1.00 5.99 H new ATOM 0 HA TYR A 138 27.302 37.373 29.866 1.00 4.63 H new ATOM 0 HB2 TYR A 138 28.793 36.525 31.526 1.00 7.89 H new ATOM 0 HB3 TYR A 138 28.382 37.677 32.493 1.00 7.89 H new ATOM 0 HD1 TYR A 138 26.027 37.530 33.562 1.00 10.80 H new ATOM 0 HD2 TYR A 138 27.037 34.476 31.272 1.00 19.24 H new ATOM 0 HE1 TYR A 138 24.103 36.269 34.223 1.00 4.39 H new ATOM 0 HE2 TYR A 138 25.230 33.125 32.104 1.00 8.03 H new ATOM 0 HH TYR A 138 23.290 33.741 34.657 1.00 11.52 H new ATOM 1066 N ASP A 139 26.949 39.833 31.881 1.00 20.87 N ATOM 1067 CA ASP A 139 26.063 40.753 32.394 1.00 12.90 C ATOM 1068 C ASP A 139 25.376 41.407 31.238 1.00 6.98 C ATOM 1069 O ASP A 139 24.191 41.598 31.363 1.00 10.77 O ATOM 1070 CB ASP A 139 26.864 41.950 33.162 1.00 6.52 C ATOM 1071 CG ASP A 139 27.089 41.506 34.559 1.00 9.31 C ATOM 1072 OD1 ASP A 139 26.742 40.270 34.774 1.00 12.38 O ATOM 1073 OD2 ASP A 139 28.122 42.108 35.143 1.00 19.93 O ATOM 0 H ASP A 139 27.772 39.982 32.080 1.00 20.87 H new ATOM 0 HA ASP A 139 25.456 40.301 33.001 1.00 12.90 H new ATOM 0 HB2 ASP A 139 27.708 42.134 32.722 1.00 6.52 H new ATOM 0 HB3 ASP A 139 26.350 42.772 33.143 1.00 6.52 H new ATOM 1074 N GLU A 140 26.088 41.870 30.227 1.00 5.97 N ATOM 1075 CA GLU A 140 25.417 42.526 29.166 1.00 8.38 C ATOM 1076 C GLU A 140 24.431 41.475 28.403 1.00 26.26 C ATOM 1077 O GLU A 140 23.344 41.764 27.942 1.00 15.04 O ATOM 1078 CB GLU A 140 26.527 43.134 28.163 1.00 3.36 C ATOM 1079 CG GLU A 140 27.391 44.386 28.824 1.00 22.38 C ATOM 1080 CD GLU A 140 26.631 45.497 29.332 1.00 26.14 C ATOM 1081 OE1 GLU A 140 25.588 45.806 28.789 1.00 15.81 O ATOM 1082 OE2 GLU A 140 27.220 46.312 30.168 1.00 22.24 O ATOM 0 H GLU A 140 26.942 41.810 30.149 1.00 5.97 H new ATOM 0 HA GLU A 140 24.866 43.250 29.503 1.00 8.38 H new ATOM 0 HB2 GLU A 140 27.140 42.429 27.902 1.00 3.36 H new ATOM 0 HB3 GLU A 140 26.089 43.443 27.354 1.00 3.36 H new ATOM 0 HG2 GLU A 140 27.931 44.032 29.548 1.00 22.38 H new ATOM 0 HG3 GLU A 140 28.003 44.721 28.150 1.00 22.38 H new ATOM 1083 N LEU A 141 24.820 40.288 28.184 1.00 16.65 N ATOM 1084 CA LEU A 141 23.848 39.247 27.516 1.00 9.58 C ATOM 1085 C LEU A 141 22.578 38.798 28.397 1.00 16.31 C ATOM 1086 O LEU A 141 21.415 38.570 27.899 1.00 17.79 O ATOM 1087 CB LEU A 141 24.619 38.056 27.133 1.00 6.68 C ATOM 1088 CG LEU A 141 23.720 36.953 26.322 1.00 3.55 C ATOM 1089 CD1 LEU A 141 23.117 37.523 25.073 1.00 4.69 C ATOM 1090 CD2 LEU A 141 24.625 35.916 25.935 1.00 3.00 C ATOM 0 H LEU A 141 25.602 39.986 28.376 1.00 16.65 H new ATOM 0 HA LEU A 141 23.468 39.707 26.751 1.00 9.58 H new ATOM 0 HB2 LEU A 141 25.369 38.325 26.580 1.00 6.68 H new ATOM 0 HB3 LEU A 141 24.987 37.644 27.930 1.00 6.68 H new ATOM 0 HG LEU A 141 22.994 36.647 26.888 1.00 3.55 H new ATOM 0 HD11 LEU A 141 22.595 36.840 24.625 1.00 4.69 H new ATOM 0 HD12 LEU A 141 22.542 38.270 25.303 1.00 4.69 H new ATOM 0 HD13 LEU A 141 23.823 37.829 24.483 1.00 4.69 H new ATOM 0 HD21 LEU A 141 24.142 35.230 25.447 1.00 3.00 H new ATOM 0 HD22 LEU A 141 25.319 36.287 25.368 1.00 3.00 H new ATOM 0 HD23 LEU A 141 25.028 35.526 26.726 1.00 3.00 H new ATOM 1091 N ALA A 142 22.781 38.748 29.673 1.00 8.52 N ATOM 1092 CA ALA A 142 21.702 38.375 30.617 1.00 15.61 C ATOM 1093 C ALA A 142 20.709 39.392 30.687 1.00 30.79 C ATOM 1094 O ALA A 142 19.462 38.963 30.790 1.00 20.40 O ATOM 1095 CB ALA A 142 22.202 38.122 32.024 1.00 8.39 C ATOM 0 H ALA A 142 23.535 38.923 30.047 1.00 8.52 H new ATOM 0 HA ALA A 142 21.330 37.551 30.265 1.00 15.61 H new ATOM 0 HB1 ALA A 142 21.455 37.883 32.595 1.00 8.39 H new ATOM 0 HB2 ALA A 142 22.846 37.396 32.013 1.00 8.39 H new ATOM 0 HB3 ALA A 142 22.626 38.925 32.366 1.00 8.39 H new ATOM 1096 N ILE A 143 21.227 40.664 30.511 1.00 21.21 N ATOM 1097 CA ILE A 143 20.360 41.753 30.490 1.00 17.22 C ATOM 1098 C ILE A 143 19.355 41.602 29.345 1.00 18.67 C ATOM 1099 O ILE A 143 18.119 41.700 29.542 1.00 20.15 O ATOM 1100 CB ILE A 143 21.257 43.142 30.430 1.00 14.70 C ATOM 1101 CG1 ILE A 143 21.891 43.474 31.793 1.00 13.48 C ATOM 1102 CG2 ILE A 143 20.472 44.301 30.041 1.00 22.15 C ATOM 1103 CD1 ILE A 143 22.732 44.904 31.750 1.00 28.00 C ATOM 0 H ILE A 143 22.060 40.851 30.410 1.00 21.21 H new ATOM 0 HA ILE A 143 19.826 41.796 31.298 1.00 17.22 H new ATOM 0 HB ILE A 143 21.940 42.965 29.764 1.00 14.70 H new ATOM 0 HG12 ILE A 143 21.197 43.527 32.468 1.00 13.48 H new ATOM 0 HG13 ILE A 143 22.488 42.756 32.056 1.00 13.48 H new ATOM 0 HG21 ILE A 143 21.042 45.086 30.021 1.00 22.15 H new ATOM 0 HG22 ILE A 143 20.093 44.155 29.160 1.00 22.15 H new ATOM 0 HG23 ILE A 143 19.757 44.437 30.682 1.00 22.15 H new ATOM 0 HD11 ILE A 143 23.116 45.080 32.623 1.00 28.00 H new ATOM 0 HD12 ILE A 143 23.441 44.843 31.091 1.00 28.00 H new ATOM 0 HD13 ILE A 143 22.131 45.626 31.510 1.00 28.00 H new ATOM 1104 N VAL A 144 19.804 41.100 28.273 1.00 20.77 N ATOM 1105 CA VAL A 144 18.966 40.937 27.076 1.00 19.02 C ATOM 1106 C VAL A 144 17.941 39.640 27.150 1.00 23.31 C ATOM 1107 O VAL A 144 16.741 39.665 26.846 1.00 31.04 O ATOM 1108 CB VAL A 144 19.820 40.814 25.804 1.00 27.39 C ATOM 1109 CG1 VAL A 144 18.879 40.570 24.603 1.00 14.88 C ATOM 1110 CG2 VAL A 144 20.963 42.019 25.522 1.00 25.09 C ATOM 0 H VAL A 144 20.614 40.826 28.176 1.00 20.77 H new ATOM 0 HA VAL A 144 18.425 41.742 27.043 1.00 19.02 H new ATOM 0 HB VAL A 144 20.402 40.051 25.944 1.00 27.39 H new ATOM 0 HG11 VAL A 144 19.404 40.490 23.791 1.00 14.88 H new ATOM 0 HG12 VAL A 144 18.378 39.752 24.745 1.00 14.88 H new ATOM 0 HG13 VAL A 144 18.264 41.315 24.517 1.00 14.88 H new ATOM 0 HG21 VAL A 144 21.434 41.831 24.695 1.00 25.09 H new ATOM 0 HG22 VAL A 144 20.518 42.878 25.452 1.00 25.09 H new ATOM 0 HG23 VAL A 144 21.596 42.043 26.256 1.00 25.09 H new ATOM 1111 N ILE A 145 18.371 38.549 27.590 1.00 20.66 N ATOM 1112 CA ILE A 145 17.431 37.287 27.757 1.00 23.96 C ATOM 1113 C ILE A 145 16.316 37.435 28.760 1.00 24.64 C ATOM 1114 O ILE A 145 15.097 36.979 28.506 1.00 28.60 O ATOM 1115 CB ILE A 145 18.196 36.057 28.013 1.00 29.61 C ATOM 1116 CG1 ILE A 145 19.074 35.826 26.788 1.00 6.88 C ATOM 1117 CG2 ILE A 145 17.239 34.717 28.279 1.00 23.29 C ATOM 1118 CD1 ILE A 145 20.022 34.791 27.108 1.00 14.10 C ATOM 0 H ILE A 145 19.187 38.416 27.825 1.00 20.66 H new ATOM 0 HA ILE A 145 16.992 37.217 26.895 1.00 23.96 H new ATOM 0 HB ILE A 145 18.711 36.175 28.826 1.00 29.61 H new ATOM 0 HG12 ILE A 145 18.532 35.566 26.027 1.00 6.88 H new ATOM 0 HG13 ILE A 145 19.535 36.643 26.542 1.00 6.88 H new ATOM 0 HG21 ILE A 145 17.802 33.944 28.440 1.00 23.29 H new ATOM 0 HG22 ILE A 145 16.673 34.871 29.052 1.00 23.29 H new ATOM 0 HG23 ILE A 145 16.684 34.555 27.500 1.00 23.29 H new ATOM 0 HD11 ILE A 145 20.593 34.627 26.341 1.00 14.10 H new ATOM 0 HD12 ILE A 145 20.565 35.071 27.861 1.00 14.10 H new ATOM 0 HD13 ILE A 145 19.547 33.977 27.338 1.00 14.10 H new ATOM 1119 N LYS A 146 16.704 38.121 29.833 1.00 15.16 N ATOM 1120 CA LYS A 146 15.786 38.353 30.906 1.00 3.74 C ATOM 1121 C LYS A 146 14.795 39.220 30.369 1.00 27.79 C ATOM 1122 O LYS A 146 13.647 39.169 30.889 1.00 35.57 O ATOM 1123 CB LYS A 146 16.626 39.054 32.093 1.00 14.83 C ATOM 1124 CG LYS A 146 16.903 38.026 33.185 1.00 14.96 C ATOM 1125 CD LYS A 146 18.207 38.442 33.989 1.00 11.40 C ATOM 1126 CE LYS A 146 18.340 39.829 34.581 1.00 25.19 C ATOM 1127 NZ LYS A 146 19.628 40.038 35.344 1.00 40.68 N ATOM 0 H LYS A 146 17.490 38.452 29.946 1.00 15.16 H new ATOM 0 HA LYS A 146 15.365 37.555 31.261 1.00 3.74 H new ATOM 0 HB2 LYS A 146 17.460 39.408 31.748 1.00 14.83 H new ATOM 0 HB3 LYS A 146 16.129 39.803 32.457 1.00 14.83 H new ATOM 0 HG2 LYS A 146 16.145 37.968 33.788 1.00 14.96 H new ATOM 0 HG3 LYS A 146 17.021 37.147 32.792 1.00 14.96 H new ATOM 0 HD2 LYS A 146 18.307 37.810 34.718 1.00 11.40 H new ATOM 0 HD3 LYS A 146 18.963 38.312 33.395 1.00 11.40 H new ATOM 0 HE2 LYS A 146 18.285 40.484 33.868 1.00 25.19 H new ATOM 0 HE3 LYS A 146 17.591 39.993 35.175 1.00 25.19 H new ATOM 0 HZ1 LYS A 146 19.607 40.829 35.752 1.00 40.68 H new ATOM 0 HZ2 LYS A 146 19.722 39.394 35.951 1.00 40.68 H new ATOM 0 HZ3 LYS A 146 20.315 40.015 34.779 1.00 40.68 H new ATOM 1128 N LYS A 147 15.257 40.065 29.450 1.00 26.66 N ATOM 1129 CA LYS A 147 14.356 40.968 28.957 1.00 29.74 C ATOM 1130 C LYS A 147 13.256 40.086 28.187 1.00 28.46 C ATOM 1131 O LYS A 147 12.045 40.261 28.304 1.00 30.12 O ATOM 1132 CB LYS A 147 15.128 42.033 28.003 1.00 39.17 C ATOM 1133 CG LYS A 147 14.236 43.065 27.520 1.00 39.18 C ATOM 1134 CD LYS A 147 15.053 44.259 26.761 0.00 0.00 C ATOM 1135 CE LYS A 147 15.781 43.804 25.522 0.00 0.00 C ATOM 1136 NZ LYS A 147 16.496 44.992 24.822 0.00 0.00 N ATOM 0 H LYS A 147 16.058 40.100 29.138 1.00 26.66 H new ATOM 0 HA LYS A 147 13.922 41.503 29.639 1.00 29.74 H new ATOM 0 HB2 LYS A 147 15.857 42.440 28.496 1.00 39.17 H new ATOM 0 HB3 LYS A 147 15.521 41.566 27.249 1.00 39.17 H new ATOM 0 HG2 LYS A 147 13.590 42.676 26.910 1.00 39.18 H new ATOM 0 HG3 LYS A 147 13.736 43.436 28.264 1.00 39.18 H new ATOM 0 HD2 LYS A 147 14.431 44.963 26.520 0.00 0.00 H new ATOM 0 HD3 LYS A 147 15.693 44.645 27.379 0.00 0.00 H new ATOM 0 HE2 LYS A 147 16.432 43.125 25.758 0.00 0.00 H new ATOM 0 HE3 LYS A 147 15.153 43.394 24.907 0.00 0.00 H new ATOM 0 HZ1 LYS A 147 16.917 44.698 24.095 0.00 0.00 H new ATOM 0 HZ2 LYS A 147 15.894 45.605 24.588 0.00 0.00 H new ATOM 0 HZ3 LYS A 147 17.086 45.354 25.381 0.00 0.00 H new ATOM 1137 N GLU A 148 13.726 39.218 27.392 1.00 17.51 N ATOM 1138 CA GLU A 148 12.792 38.351 26.540 1.00 10.07 C ATOM 1139 C GLU A 148 11.779 37.320 27.287 1.00 40.27 C ATOM 1140 O GLU A 148 10.630 36.886 26.773 1.00 35.18 O ATOM 1141 CB GLU A 148 13.549 37.650 25.496 1.00 7.74 C ATOM 1142 CG GLU A 148 14.526 38.594 24.624 1.00 29.34 C ATOM 1143 CD GLU A 148 13.787 39.726 24.153 1.00 51.42 C ATOM 1144 OE1 GLU A 148 12.717 39.403 23.518 1.00 41.40 O ATOM 1145 OE2 GLU A 148 13.989 40.870 24.725 1.00 49.94 O ATOM 0 H GLU A 148 14.565 39.063 27.281 1.00 17.51 H new ATOM 0 HA GLU A 148 12.184 39.011 26.173 1.00 10.07 H new ATOM 0 HB2 GLU A 148 14.079 36.952 25.911 1.00 7.74 H new ATOM 0 HB3 GLU A 148 12.923 37.213 24.898 1.00 7.74 H new ATOM 0 HG2 GLU A 148 15.278 38.886 25.163 1.00 29.34 H new ATOM 0 HG3 GLU A 148 14.890 38.097 23.875 1.00 29.34 H new ATOM 1146 N MET A 149 12.216 36.966 28.472 1.00 29.21 N ATOM 1147 CA MET A 149 11.402 36.088 29.418 1.00 22.42 C ATOM 1148 C MET A 149 10.249 36.763 29.936 1.00 38.51 C ATOM 1149 O MET A 149 9.111 36.066 30.146 1.00 28.71 O ATOM 1150 CB MET A 149 12.276 35.814 30.642 1.00 21.53 C ATOM 1151 CG MET A 149 13.190 34.807 30.186 1.00 19.30 C ATOM 1152 SD MET A 149 14.268 34.238 31.430 1.00 21.29 S ATOM 1153 CE MET A 149 13.066 33.851 32.745 1.00 16.41 C ATOM 0 H MET A 149 12.980 37.204 28.787 1.00 29.21 H new ATOM 0 HA MET A 149 11.129 35.299 28.925 1.00 22.42 H new ATOM 0 HB2 MET A 149 12.742 36.613 30.934 1.00 21.53 H new ATOM 0 HB3 MET A 149 11.749 35.503 31.394 1.00 21.53 H new ATOM 0 HG2 MET A 149 12.685 34.056 29.836 1.00 19.30 H new ATOM 0 HG3 MET A 149 13.714 35.164 29.452 1.00 19.30 H new ATOM 0 HE1 MET A 149 13.457 33.214 33.363 1.00 16.41 H new ATOM 0 HE2 MET A 149 12.835 34.664 33.222 1.00 16.41 H new ATOM 0 HE3 MET A 149 12.266 33.469 32.351 1.00 16.41 H new ATOM 1154 N ASP A 150 10.630 38.007 30.339 1.00 35.54 N ATOM 1155 CA ASP A 150 9.667 38.770 31.005 1.00 56.14 C ATOM 1156 C ASP A 150 8.586 39.029 30.010 1.00 49.46 C ATOM 1157 O ASP A 150 7.338 38.685 30.230 1.00 47.29 O ATOM 1158 CB ASP A 150 10.376 40.142 31.567 1.00 54.28 C ATOM 1159 CG ASP A 150 11.129 39.905 32.852 1.00 51.98 C ATOM 1160 OD1 ASP A 150 11.303 38.719 33.141 0.00 0.00 O ATOM 1161 OD2 ASP A 150 11.193 40.770 33.771 0.00 0.00 O ATOM 0 H ASP A 150 11.402 38.369 30.225 1.00 35.54 H new ATOM 0 HA ASP A 150 9.285 38.324 31.777 1.00 56.14 H new ATOM 0 HB2 ASP A 150 10.985 40.489 30.896 1.00 54.28 H new ATOM 0 HB3 ASP A 150 9.697 40.820 31.711 1.00 54.28 H new ATOM 1162 N ASP A 151 9.104 39.347 28.851 1.00 41.04 N ATOM 1163 CA ASP A 151 8.221 39.418 27.697 1.00 55.69 C ATOM 1164 C ASP A 151 7.405 38.050 27.309 1.00 61.98 C ATOM 1165 O ASP A 151 6.273 37.982 26.746 1.00 57.30 O ATOM 1166 CB ASP A 151 9.049 40.077 26.495 1.00 55.87 C ATOM 1167 CG ASP A 151 9.448 41.599 26.710 1.00 52.18 C ATOM 1168 OD1 ASP A 151 9.887 42.016 27.835 0.00 0.00 O ATOM 1169 OD2 ASP A 151 8.879 42.384 25.999 0.00 0.00 O ATOM 0 H ASP A 151 9.933 39.522 28.703 1.00 41.04 H new ATOM 0 HA ASP A 151 7.469 39.985 27.930 1.00 55.69 H new ATOM 0 HB2 ASP A 151 9.859 39.561 26.357 1.00 55.87 H new ATOM 0 HB3 ASP A 151 8.525 40.006 25.682 1.00 55.87 H new ATOM 1170 N ALA A 152 7.923 36.945 27.604 1.00 58.34 N ATOM 1171 CA ALA A 152 7.099 35.640 27.219 1.00 51.67 C ATOM 1172 C ALA A 152 6.069 35.134 28.297 1.00 57.95 C ATOM 1173 O ALA A 152 5.303 34.026 28.143 1.00 53.59 O ATOM 1174 CB ALA A 152 7.964 34.500 27.035 1.00 50.44 C ATOM 0 H ALA A 152 8.680 36.823 27.994 1.00 58.34 H new ATOM 0 HA ALA A 152 6.635 35.932 26.419 1.00 51.67 H new ATOM 0 HB1 ALA A 152 7.431 33.724 26.802 1.00 50.44 H new ATOM 0 HB2 ALA A 152 8.595 34.684 26.322 1.00 50.44 H new ATOM 0 HB3 ALA A 152 8.448 34.325 27.857 1.00 50.44 H new ATOM 1175 N ALA A 153 6.207 35.808 29.426 1.00 60.11 N ATOM 1176 CA ALA A 153 5.527 35.262 30.660 1.00 62.99 C ATOM 1177 C ALA A 153 4.108 35.628 30.896 1.00 44.98 C ATOM 1178 O ALA A 153 4.019 36.758 31.410 0.00 0.00 O ATOM 1179 CB ALA A 153 6.491 35.793 31.814 1.00 54.56 C ATOM 1180 OXT ALA A 153 3.133 35.053 30.213 0.00 0.00 O ATOM 0 H ALA A 153 6.652 36.537 29.528 1.00 60.11 H new ATOM 0 HA ALA A 153 5.426 34.300 30.592 1.00 62.99 H new ATOM 0 HB1 ALA A 153 6.155 35.502 32.676 1.00 54.56 H new ATOM 0 HB2 ALA A 153 7.384 35.438 31.679 1.00 54.56 H new ATOM 0 HB3 ALA A 153 6.522 36.762 31.790 1.00 54.56 H new TER 1181 ALA A 153 HETATM 1182 FE HEM A 154 18.900 28.369 29.692 1.00 17.54 FE HETATM 1183 CHA HEM A 154 17.213 25.922 27.681 1.00 13.15 C HETATM 1184 CHB HEM A 154 20.838 29.692 26.854 1.00 19.27 C HETATM 1185 CHC HEM A 154 20.383 31.158 31.487 1.00 7.46 C HETATM 1186 CHD HEM A 154 17.491 26.906 32.387 1.00 27.49 C HETATM 1187 NA HEM A 154 18.965 27.946 27.690 1.00 21.53 N HETATM 1188 C1A HEM A 154 18.125 26.885 27.067 1.00 15.86 C HETATM 1189 C2A HEM A 154 18.524 26.806 25.658 1.00 32.50 C HETATM 1190 C3A HEM A 154 19.533 27.863 25.427 1.00 24.78 C HETATM 1191 C4A HEM A 154 19.860 28.542 26.707 1.00 39.87 C HETATM 1192 CMA HEM A 154 20.253 28.362 24.104 1.00 24.84 C HETATM 1193 CAA HEM A 154 17.812 25.756 24.656 1.00 43.51 C HETATM 1194 CBA HEM A 154 18.695 24.723 24.131 1.00 39.38 C HETATM 1195 CGA HEM A 154 17.893 24.040 22.951 0.00 0.00 C HETATM 1196 O1A HEM A 154 16.710 24.280 22.761 0.00 0.00 O HETATM 1197 O2A HEM A 154 18.487 23.559 21.999 0.00 0.00 O HETATM 1198 NB HEM A 154 20.423 30.142 29.224 1.00 18.03 N HETATM 1199 C1B HEM A 154 21.035 30.456 28.034 1.00 15.61 C HETATM 1200 C2B HEM A 154 21.880 31.719 28.161 1.00 12.99 C HETATM 1201 C3B HEM A 154 21.758 32.201 29.436 1.00 23.09 C HETATM 1202 C4B HEM A 154 20.802 31.155 30.115 1.00 10.63 C HETATM 1203 CMB HEM A 154 22.716 32.320 26.977 1.00 3.00 C HETATM 1204 CAB HEM A 154 22.517 33.522 30.099 1.00 22.10 C HETATM 1205 CBB HEM A 154 22.912 34.624 29.325 1.00 11.89 C HETATM 1206 NC HEM A 154 18.917 28.982 31.554 1.00 12.45 N HETATM 1207 C1C HEM A 154 19.543 30.156 32.155 1.00 29.14 C HETATM 1208 C2C HEM A 154 19.210 30.134 33.574 1.00 7.46 C HETATM 1209 C3C HEM A 154 18.468 28.915 33.851 1.00 24.58 C HETATM 1210 C4C HEM A 154 18.267 28.180 32.571 1.00 30.77 C HETATM 1211 CMC HEM A 154 19.626 31.259 34.617 1.00 4.01 C HETATM 1212 CAC HEM A 154 17.940 28.435 35.266 1.00 10.77 C HETATM 1213 CBC HEM A 154 18.392 27.433 35.918 1.00 3.00 C HETATM 1214 ND HEM A 154 17.594 26.646 29.982 1.00 34.17 N HETATM 1215 C1D HEM A 154 17.108 26.222 31.202 1.00 27.73 C HETATM 1216 C2D HEM A 154 16.078 24.991 31.034 1.00 13.59 C HETATM 1217 C3D HEM A 154 16.032 24.715 29.701 1.00 17.83 C HETATM 1218 C4D HEM A 154 16.967 25.773 29.037 1.00 24.80 C HETATM 1219 CMD HEM A 154 15.328 24.187 32.208 1.00 9.97 C HETATM 1220 CAD HEM A 154 15.198 23.502 29.000 1.00 19.01 C HETATM 1221 CBD HEM A 154 16.018 22.337 28.837 1.00 20.60 C HETATM 1222 CGD HEM A 154 15.013 21.023 28.622 1.00 56.50 C HETATM 1223 O1D HEM A 154 14.036 20.684 29.423 1.00 46.54 O HETATM 1224 O2D HEM A 154 15.326 20.138 27.829 1.00 47.53 O HETATM 0 HMA1 HEM A 154 20.453 29.308 24.181 1.00 24.84 H new HETATM 0 HMA2 HEM A 154 19.669 28.217 23.343 1.00 24.84 H new HETATM 0 HMA3 HEM A 154 21.077 27.867 23.978 1.00 24.84 H new HETATM 0 HMB1 HEM A 154 23.000 31.605 26.386 1.00 3.00 H new HETATM 0 HMB2 HEM A 154 23.496 32.776 27.330 1.00 3.00 H new HETATM 0 HMB3 HEM A 154 22.170 32.950 26.482 1.00 3.00 H new HETATM 0 HMC1 HEM A 154 20.462 31.665 34.339 1.00 4.01 H new HETATM 0 HMC2 HEM A 154 19.736 30.862 35.495 1.00 4.01 H new HETATM 0 HMC3 HEM A 154 18.934 31.938 34.654 1.00 4.01 H new HETATM 0 HMD1 HEM A 154 15.880 24.188 33.005 1.00 9.97 H new HETATM 0 HMD2 HEM A 154 15.172 23.272 31.925 1.00 9.97 H new HETATM 0 HMD3 HEM A 154 14.479 24.615 32.402 1.00 9.97 H new HETATM 0 HBB1 HEM A 154 23.353 35.379 29.745 1.00 11.89 H new HETATM 0 HBB2 HEM A 154 22.744 34.631 28.370 1.00 11.89 H new HETATM 0 HBC1 HEM A 154 18.013 27.205 36.781 1.00 3.00 H new HETATM 0 HBC2 HEM A 154 19.115 26.901 35.550 1.00 3.00 H new HETATM 0 HBA1 HEM A 154 18.924 24.077 24.818 1.00 39.38 H new HETATM 0 HBA2 HEM A 154 19.528 25.105 23.812 1.00 39.38 H new HETATM 0 HAA1 HEM A 154 17.429 26.246 23.912 1.00 43.51 H new HETATM 0 HAA2 HEM A 154 17.077 25.329 25.123 1.00 43.51 H new HETATM 0 HBD1 HEM A 154 16.582 22.208 29.615 1.00 20.60 H new HETATM 0 HBD2 HEM A 154 16.607 22.441 28.074 1.00 20.60 H new HETATM 0 HAD1 HEM A 154 14.867 23.791 28.135 1.00 19.01 H new HETATM 0 HAD2 HEM A 154 14.424 23.283 29.542 1.00 19.01 H new HETATM 0 HHA HEM A 154 16.753 25.354 27.106 1.00 13.15 H new HETATM 0 HHB HEM A 154 21.350 29.915 26.110 1.00 19.27 H new HETATM 0 HHC HEM A 154 20.674 31.870 32.009 1.00 7.46 H new HETATM 0 HHD HEM A 154 17.217 26.499 33.177 1.00 27.49 H new HETATM 0 HAB HEM A 154 22.693 33.532 31.053 1.00 22.10 H new HETATM 0 HAC HEM A 154 17.217 28.941 35.669 1.00 10.77 H new HETATM 1225 C1 NBE A 155 20.698 26.118 29.703 1.00 50.04 C HETATM 1226 N NBE A 155 20.609 27.436 30.223 1.00 19.46 N HETATM 1227 O NBE A 155 21.406 27.795 31.193 1.00 23.56 O HETATM 1228 C2 NBE A 155 20.503 25.825 28.353 1.00 47.19 C HETATM 1229 C3 NBE A 155 20.411 24.525 27.846 1.00 33.81 C HETATM 1230 C4 NBE A 155 20.529 23.503 28.672 1.00 26.55 C HETATM 1231 C5 NBE A 155 20.756 23.768 30.016 1.00 53.67 C HETATM 1232 C6 NBE A 155 20.853 25.081 30.551 1.00 58.71 C HETATM 0 H6 NBE A 155 21.025 25.226 31.495 1.00 58.71 H new HETATM 0 H5 NBE A 155 20.854 23.017 30.622 1.00 53.67 H new HETATM 0 H4 NBE A 155 20.459 22.591 28.349 1.00 26.55 H new HETATM 0 H3 NBE A 155 20.262 24.377 26.899 1.00 33.81 H new HETATM 0 H2 NBE A 155 20.427 26.565 27.731 1.00 47.19 H new HETATM 1233 O HOH A 156 25.908 14.960 29.437 1.00 19.85 O HETATM 1234 O HOH A 157 28.365 16.551 28.965 1.00 21.44 O HETATM 1235 O HOH A 158 23.418 44.650 27.257 1.00 18.09 O HETATM 1236 O HOH A 159 47.149 35.457 37.001 1.00 24.04 O HETATM 1237 O HOH A 160 25.191 36.482 21.847 1.00 25.32 O HETATM 1238 O HOH A 161 26.880 36.417 40.358 1.00 32.13 O HETATM 1239 O HOH A 162 26.616 19.220 41.862 1.00 42.24 O HETATM 1240 O HOH A 163 31.495 50.578 15.240 1.00 24.77 O HETATM 1241 O HOH A 164 29.500 38.771 17.607 1.00 28.82 O HETATM 1242 O HOH A 165 27.873 51.851 19.934 1.00 13.84 O HETATM 1243 O HOH A 166 19.317 45.004 20.301 1.00 30.82 O HETATM 1244 O HOH A 167 21.375 47.483 20.947 1.00 22.40 O HETATM 1245 O HOH A 168 22.014 46.728 23.612 1.00 28.55 O HETATM 1246 O HOH A 169 24.533 46.448 25.173 1.00 28.80 O HETATM 1247 O HOH A 170 21.859 47.728 29.440 1.00 26.69 O HETATM 1248 O HOH A 171 24.597 47.838 29.834 1.00 14.42 O HETATM 1249 O HOH A 172 25.978 47.798 32.322 1.00 19.49 O HETATM 1250 O HOH A 173 15.879 30.366 20.900 1.00 49.18 O HETATM 1251 O HOH A 174 34.291 19.999 22.145 1.00 33.51 O HETATM 1252 O HOH A 175 30.468 38.591 39.912 1.00 34.18 O HETATM 1253 O HOH A 176 33.076 39.712 38.254 1.00 24.56 O HETATM 1254 O HOH A 177 42.241 25.851 36.100 1.00 46.87 O HETATM 1255 O HOH A 178 29.717 51.168 24.985 1.00 15.76 O HETATM 1256 O HOH A 179 23.478 39.697 17.874 1.00 33.04 O HETATM 1257 O HOH A 180 29.834 25.623 20.275 1.00 51.73 O HETATM 1258 O HOH A 181 40.698 45.266 34.426 1.00 55.44 O HETATM 1259 O HOH A 182 13.236 35.458 40.204 1.00 34.33 O HETATM 1260 O HOH A 183 22.792 41.431 33.994 1.00 28.58 O HETATM 1261 O HOH A 184 13.261 23.413 41.707 1.00 52.57 O HETATM 1262 O HOH A 185 17.157 42.618 31.721 1.00 29.03 O HETATM 1263 O HOH A 186 25.911 38.929 39.260 1.00 41.51 O HETATM 1264 O HOH A 187 21.655 46.604 26.977 1.00 40.68 O HETATM 1265 O HOH A 188 29.238 44.470 33.779 1.00 37.12 O HETATM 1266 O HOH A 189 38.075 42.045 37.423 1.00 45.36 O HETATM 1267 O HOH A 190 44.219 37.762 30.972 1.00 42.77 O HETATM 1268 O HOH A 191 47.289 27.796 33.402 1.00 53.64 O HETATM 1269 O HOH A 192 38.084 48.715 21.382 1.00 51.90 O HETATM 1270 O HOH A 193 25.149 39.091 21.103 1.00 51.61 O HETATM 1271 O HOH A 194 25.949 23.533 20.935 1.00 36.92 O HETATM 1272 O HOH A 195 31.875 48.582 24.716 1.00 42.72 O HETATM 1273 O HOH A 196 21.967 9.777 34.757 1.00 43.64 O HETATM 1274 O HOH A 197 20.106 9.416 31.742 1.00 41.83 O HETATM 1275 O HOH A 198 18.414 11.477 30.897 1.00 49.01 O HETATM 1276 O HOH A 199 35.626 15.420 25.914 1.00 38.41 O HETATM 1277 O HOH A 200 39.912 23.526 26.740 1.00 42.72 O HETATM 1278 O HOH A 201 42.717 32.463 26.610 1.00 49.29 O HETATM 1279 O HOH A 202 42.198 34.710 19.265 1.00 45.59 O HETATM 1280 O HOH A 203 42.217 37.396 20.518 1.00 50.94 O HETATM 1281 O HOH A 204 42.605 30.556 22.634 1.00 36.63 O HETATM 1282 O HOH A 205 16.605 12.178 43.216 1.00 56.34 O HETATM 1283 O HOH A 206 26.961 38.571 16.122 1.00 42.86 O HETATM 1284 O HOH A 207 29.211 14.910 21.948 1.00 42.71 O HETATM 1285 O HOH A 208 23.592 37.763 37.361 1.00 48.59 O HETATM 1286 O HOH A 209 20.897 38.539 37.506 1.00 38.51 O HETATM 1287 O HOH A 210 36.932 34.677 35.543 1.00 33.03 O HETATM 1288 O HOH A 211 11.744 35.835 36.933 1.00 37.33 O HETATM 1289 O HOH A 212 23.991 39.278 35.085 1.00 38.81 O HETATM 1290 O HOH A 213 30.650 26.888 22.868 1.00 37.87 O HETATM 1291 O HOH A 214 36.202 23.702 33.495 1.00 39.20 O HETATM 1292 O HOH A 215 46.752 37.150 30.172 1.00 40.80 O HETATM 1293 O HOH A 216 20.538 15.329 37.461 1.00 41.20 O HETATM 1294 O HOH A 217 28.143 51.036 36.598 1.00 36.07 O HETATM 1295 O HOH A 218 45.640 42.421 24.568 1.00 57.64 O HETATM 1296 O HOH A 219 43.801 49.384 24.328 1.00 56.54 O CONECT 746 1182 CONECT 1182 746 1187 1198 1206 CONECT 1182 1214 1226 CONECT 1183 1188 1218 CONECT 1184 1191 1199 CONECT 1185 1202 1207 CONECT 1186 1210 1215 CONECT 1187 1182 1188 1191 CONECT 1188 1183 1187 1189 CONECT 1189 1188 1190 1193 CONECT 1190 1189 1191 1192 CONECT 1191 1184 1187 1190 CONECT 1192 1190 CONECT 1193 1189 1194 CONECT 1194 1193 1195 CONECT 1195 1194 1196 1197 CONECT 1196 1195 CONECT 1197 1195 CONECT 1198 1182 1199 1202 CONECT 1199 1184 1198 1200 CONECT 1200 1199 1201 1203 CONECT 1201 1200 1202 1204 CONECT 1202 1185 1198 1201 CONECT 1203 1200 CONECT 1204 1201 1205 CONECT 1205 1204 CONECT 1206 1182 1207 1210 CONECT 1207 1185 1206 1208 CONECT 1208 1207 1209 1211 CONECT 1209 1208 1210 1212 CONECT 1210 1186 1206 1209 CONECT 1211 1208 CONECT 1212 1209 1213 CONECT 1213 1212 CONECT 1214 1182 1215 1218 CONECT 1215 1186 1214 1216 CONECT 1216 1215 1217 1219 CONECT 1217 1216 1218 1220 CONECT 1218 1183 1214 1217 CONECT 1219 1216 CONECT 1220 1217 1221 CONECT 1221 1220 1222 CONECT 1222 1221 1223 1224 CONECT 1223 1222 CONECT 1224 1222 CONECT 1225 1226 1228 1232 CONECT 1226 1182 1225 1227 CONECT 1227 1226 CONECT 1228 1225 1229 CONECT 1229 1228 1230 CONECT 1230 1229 1231 CONECT 1231 1230 1232 CONECT 1232 1225 1231 END