USER MOD reduce.3.24.130724 H: found=0, std=0, add=1804, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER ELECTRON TRANSPORT PROTEIN (CYTOCHROME) 19-MAR-91 1C2R TITLE MOLECULAR STRUCTURE OF CYTOCHROME C2 ISOLATED FROM TITLE 2 RHODOBACTER CAPSULATUS DETERMINED AT 2.5 ANGSTROMS TITLE 3 RESOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYTOCHROME C2; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER CAPSULATUS; SOURCE 3 ORGANISM_TAXID: 1061 KEYWDS ELECTRON TRANSPORT PROTEIN (CYTOCHROME) EXPDTA X-RAY DIFFRACTION AUTHOR M.M.BENNING,G.WESENBERG,M.S.CAFFREY,R.G.BARTSCH,T.E.MEYER, AUTHOR 2 M.A.CUSANOVICH,I.RAYMENT,H.M.HOLDEN REVDAT 5 24-FEB-09 1C2R 1 VERSN REVDAT 4 01-APR-03 1C2R 1 JRNL REVDAT 3 15-APR-93 1C2R 1 REVDAT REVDAT 2 15-APR-92 1C2R 1 REVDAT REVDAT 1 15-JAN-92 1C2R 0 JRNL AUTH M.M.BENNING,G.WESENBERG,M.S.CAFFREY,R.G.BARTSCH, JRNL AUTH 2 T.E.MEYER,M.A.CUSANOVICH,I.RAYMENT,H.M.HOLDEN JRNL TITL MOLECULAR STRUCTURE OF CYTOCHROME C2 ISOLATED FROM JRNL TITL 2 RHODOBACTER CAPSULATUS DETERMINED AT 2.5 A JRNL TITL 3 RESOLUTION. JRNL REF J.MOL.BIOL. V. 220 673 1991 JRNL REFN ISSN 0022-2836 JRNL PMID 1651396 JRNL DOI 10.1016/0022-2836(91)90109-J REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.50 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : TNT REMARK 3 AUTHORS : TRONRUD,TEN EYCK,MATTHEWS REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : NULL REMARK 3 REMARK 3 USING DATA ABOVE SIGMA CUTOFF. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING + TEST SET) : 0.168 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 REMARK 3 USING ALL DATA, NO SIGMA CUTOFF. REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL REMARK 3 FREE R VALUE (NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1728 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 86 REMARK 3 SOLVENT ATOMS : 92 REMARK 3 REMARK 3 WILSON B VALUE (FROM FCALC, A**2) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. RMS WEIGHT COUNT REMARK 3 BOND LENGTHS (A) : 0.016 ; NULL ; NULL REMARK 3 BOND ANGLES (DEGREES) : 2.635 ; NULL ; NULL REMARK 3 TORSION ANGLES (DEGREES) : 17.588; NULL ; NULL REMARK 3 PSEUDOROTATION ANGLES (DEGREES) : NULL ; NULL ; NULL REMARK 3 TRIGONAL CARBON PLANES (A) : 0.010 ; NULL ; NULL REMARK 3 GENERAL PLANES (A) : 0.007 ; NULL ; NULL REMARK 3 ISOTROPIC THERMAL FACTORS (A**2) : NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS (A) : NULL ; NULL ; NULL REMARK 3 REMARK 3 INCORRECT CHIRAL-CENTERS (COUNT) : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : NULL REMARK 3 REMARK 3 RESTRAINT LIBRARIES. REMARK 3 STEREOCHEMISTRY : NULL REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1C2R 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 (%): 61.26 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.17 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: H 3 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z REMARK 290 3555 -X+Y,-X,Z REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z REMARK 290 6555 -X,-X+Y,-Z REMARK 290 7555 X+2/3,Y+1/3,Z+1/3 REMARK 290 8555 -Y+2/3,X-Y+1/3,Z+1/3 REMARK 290 9555 -X+Y+2/3,-X+1/3,Z+1/3 REMARK 290 10555 Y+2/3,X+1/3,-Z+1/3 REMARK 290 11555 X-Y+2/3,-Y+1/3,-Z+1/3 REMARK 290 12555 -X+2/3,-X+Y+1/3,-Z+1/3 REMARK 290 13555 X+1/3,Y+2/3,Z+2/3 REMARK 290 14555 -Y+1/3,X-Y+2/3,Z+2/3 REMARK 290 15555 -X+Y+1/3,-X+2/3,Z+2/3 REMARK 290 16555 Y+1/3,X+2/3,-Z+2/3 REMARK 290 17555 X-Y+1/3,-Y+2/3,-Z+2/3 REMARK 290 18555 -X+1/3,-X+Y+2/3,-Z+2/3 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 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 7 1.000000 0.000000 0.000000 50.01500 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 28.87617 REMARK 290 SMTRY3 7 0.000000 0.000000 1.000000 54.03333 REMARK 290 SMTRY1 8 -0.500000 -0.866025 0.000000 50.01500 REMARK 290 SMTRY2 8 0.866025 -0.500000 0.000000 28.87617 REMARK 290 SMTRY3 8 0.000000 0.000000 1.000000 54.03333 REMARK 290 SMTRY1 9 -0.500000 0.866025 0.000000 50.01500 REMARK 290 SMTRY2 9 -0.866025 -0.500000 0.000000 28.87617 REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 54.03333 REMARK 290 SMTRY1 10 -0.500000 0.866025 0.000000 50.01500 REMARK 290 SMTRY2 10 0.866025 0.500000 0.000000 28.87617 REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 54.03333 REMARK 290 SMTRY1 11 1.000000 0.000000 0.000000 50.01500 REMARK 290 SMTRY2 11 0.000000 -1.000000 0.000000 28.87617 REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 54.03333 REMARK 290 SMTRY1 12 -0.500000 -0.866025 0.000000 50.01500 REMARK 290 SMTRY2 12 -0.866025 0.500000 0.000000 28.87617 REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 54.03333 REMARK 290 SMTRY1 13 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 13 0.000000 1.000000 0.000000 57.75235 REMARK 290 SMTRY3 13 0.000000 0.000000 1.000000 108.06667 REMARK 290 SMTRY1 14 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 14 0.866025 -0.500000 0.000000 57.75235 REMARK 290 SMTRY3 14 0.000000 0.000000 1.000000 108.06667 REMARK 290 SMTRY1 15 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 15 -0.866025 -0.500000 0.000000 57.75235 REMARK 290 SMTRY3 15 0.000000 0.000000 1.000000 108.06667 REMARK 290 SMTRY1 16 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 16 0.866025 0.500000 0.000000 57.75235 REMARK 290 SMTRY3 16 0.000000 0.000000 -1.000000 108.06667 REMARK 290 SMTRY1 17 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 17 0.000000 -1.000000 0.000000 57.75235 REMARK 290 SMTRY3 17 0.000000 0.000000 -1.000000 108.06667 REMARK 290 SMTRY1 18 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 18 -0.866025 0.500000 0.000000 57.75235 REMARK 290 SMTRY3 18 0.000000 0.000000 -1.000000 108.06667 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 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 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B 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 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O LEU A 60 OG SER A 63 2.06 REMARK 500 OE1 GLU B 69 O HOH B 145 2.07 REMARK 500 O TYR B 48 O HOH B 150 2.09 REMARK 500 O THR B 44 O HOH B 147 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 NZ LYS A 5 O VAL B 114 5565 1.93 REMARK 500 O HOH A 161 O HOH B 154 4555 2.00 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 GLU A 26 CD GLU A 26 OE2 0.067 REMARK 500 GLU A 85 CD GLU A 85 OE2 0.069 REMARK 500 GLU B 85 CD GLU B 85 OE2 0.069 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 LYS A 5 CB - CA - C ANGL. DEV. = 15.4 DEGREES REMARK 500 ASP A 55 CB - CG - OD2 ANGL. DEV. = -6.2 DEGREES REMARK 500 ASP A 71 CB - CG - OD2 ANGL. DEV. = -6.2 DEGREES REMARK 500 ASP A 89 CB - CG - OD2 ANGL. DEV. = -5.6 DEGREES REMARK 500 ASP B 2 CB - CG - OD2 ANGL. DEV. = -5.5 DEGREES REMARK 500 ARG B 43 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES REMARK 500 PHE B 51 CB - CG - CD1 ANGL. DEV. = -4.5 DEGREES REMARK 500 ASP B 55 CB - CG - OD2 ANGL. DEV. = -5.5 DEGREES REMARK 500 ASP B 78 CB - CG - OD1 ANGL. DEV. = 6.4 DEGREES REMARK 500 ASP B 78 CB - CG - OD2 ANGL. DEV. = -7.2 DEGREES REMARK 500 ASP B 88 CB - CG - OD2 ANGL. DEV. = -6.6 DEGREES REMARK 500 ASP B 106 CB - CG - OD1 ANGL. DEV. = 5.7 DEGREES REMARK 500 ASP B 106 CB - CG - OD2 ANGL. DEV. = -6.4 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 78 87.15 -163.05 REMARK 500 ALA A 97 56.09 -90.54 REMARK 500 ASP B 78 95.93 -167.20 REMARK 500 REMARK 500 REMARK: NULL 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 161 DISTANCE = 9.42 ANGSTROMS 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 120 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 17 NE2 REMARK 620 2 MET A 96 SD 172.7 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM B 120 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS B 17 NE2 REMARK 620 2 MET B 96 SD 172.5 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 120 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM B 120 DBREF 1C2R A 1 116 UNP P00094 CYC2_RHOCA 22 137 DBREF 1C2R B 1 116 UNP P00094 CYC2_RHOCA 22 137 SEQRES 1 A 116 GLY ASP ALA ALA LYS GLY GLU LYS GLU PHE ASN LYS CYS SEQRES 2 A 116 LYS THR CYS HIS SER ILE ILE ALA PRO ASP GLY THR GLU SEQRES 3 A 116 ILE VAL LYS GLY ALA LYS THR GLY PRO ASN LEU TYR GLY SEQRES 4 A 116 VAL VAL GLY ARG THR ALA GLY THR TYR PRO GLU PHE LYS SEQRES 5 A 116 TYR LYS ASP SER ILE VAL ALA LEU GLY ALA SER GLY PHE SEQRES 6 A 116 ALA TRP THR GLU GLU ASP ILE ALA THR TYR VAL LYS ASP SEQRES 7 A 116 PRO GLY ALA PHE LEU LYS GLU LYS LEU ASP ASP LYS LYS SEQRES 8 A 116 ALA LYS THR GLY MET ALA PHE LYS LEU ALA LYS GLY GLY SEQRES 9 A 116 GLU ASP VAL ALA ALA TYR LEU ALA SER VAL VAL LYS SEQRES 1 B 116 GLY ASP ALA ALA LYS GLY GLU LYS GLU PHE ASN LYS CYS SEQRES 2 B 116 LYS THR CYS HIS SER ILE ILE ALA PRO ASP GLY THR GLU SEQRES 3 B 116 ILE VAL LYS GLY ALA LYS THR GLY PRO ASN LEU TYR GLY SEQRES 4 B 116 VAL VAL GLY ARG THR ALA GLY THR TYR PRO GLU PHE LYS SEQRES 5 B 116 TYR LYS ASP SER ILE VAL ALA LEU GLY ALA SER GLY PHE SEQRES 6 B 116 ALA TRP THR GLU GLU ASP ILE ALA THR TYR VAL LYS ASP SEQRES 7 B 116 PRO GLY ALA PHE LEU LYS GLU LYS LEU ASP ASP LYS LYS SEQRES 8 B 116 ALA LYS THR GLY MET ALA PHE LYS LEU ALA LYS GLY GLY SEQRES 9 B 116 GLU ASP VAL ALA ALA TYR LEU ALA SER VAL VAL LYS HET HEM A 120 43 HET HEM B 120 43 HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETSYN HEM HEME FORMUL 3 HEM 2(C34 H32 FE N4 O4) FORMUL 5 HOH *92(H2 O) HELIX 1 AA ALA A 3 CYS A 16 1 14 HELIX 2 AB ASP A 55 SER A 63 1 9 HELIX 3 AC GLU A 69 LYS A 77 1 9 HELIX 4 AD GLY A 80 LEU A 87 1 8 HELIX 5 AE GLY A 104 VAL A 114 1 11 HELIX 6 BA ALA B 3 CYS B 16 1 14 HELIX 7 BB ASP B 55 SER B 63 1 9 HELIX 8 BC GLU B 69 LYS B 77 1 9 HELIX 9 BD GLY B 80 LEU B 87 1 8 HELIX 10 BE GLY B 104 VAL B 114 1 11 SHEET 1 A 2 ILE A 19 ILE A 20 0 SHEET 2 A 2 GLU A 26 VAL A 28 -1 N ILE A 27 O ILE A 19 SHEET 1 B 2 ILE B 19 ILE B 20 0 SHEET 2 B 2 GLU B 26 VAL B 28 -1 N ILE B 27 O ILE B 19 LINK SG CYS A 13 CAB HEM A 120 1555 1555 1.78 LINK SG CYS A 16 CAC HEM A 120 1555 1555 2.08 LINK FE HEM A 120 NE2 HIS A 17 1555 1555 2.06 LINK FE HEM A 120 SD MET A 96 1555 1555 2.26 LINK SG CYS B 13 CAB HEM B 120 1555 1555 1.89 LINK NE2 HIS B 17 FE HEM B 120 1555 1555 1.92 LINK FE HEM B 120 SD MET B 96 1555 1555 2.18 SITE *** AC1 19 LYS A 12 CYS A 13 CYS A 16 HIS A 17 SITE *** AC1 19 PRO A 35 ARG A 43 GLY A 46 TYR A 53 SITE *** AC1 19 LYS A 54 ILE A 57 TRP A 67 TYR A 75 SITE *** AC1 19 VAL A 76 GLY A 95 MET A 96 VAL A 107 SITE *** AC1 19 HOH A 131 HOH A 136 HOH A 150 SITE *** AC2 18 LYS B 12 CYS B 13 CYS B 16 HIS B 17 SITE *** AC2 18 ARG B 43 GLY B 46 TYR B 53 LYS B 54 SITE *** AC2 18 ILE B 57 TRP B 67 TYR B 75 VAL B 76 SITE *** AC2 18 GLY B 95 MET B 96 PHE B 98 HOH B 134 SITE *** AC2 18 HOH B 156 HOH B 163 CRYST1 100.030 100.030 162.100 90.00 90.00 120.00 H 3 2 36 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 0.009997 0.005772 0.000000 0.00000 SCALE2 0.000000 0.011544 0.000000 0.00000 SCALE3 0.000000 0.000000 0.006169 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 17 HIS HE2 : A 17 HIS NE2 : A 120 HEMFE :(H bumps) USER MOD NoAdj-H: B 17 HIS HE2 : B 17 HIS NE2 : B 120 HEMFE :(H bumps) USER MOD Set 1.1: B 36 ASN : amide:sc= -7.17! K(o=-7!,f=0.98) USER MOD Set 1.2: B 48 TYR OH : rot 72:sc= 0.12 USER MOD Set 2.1: A 36 ASN : amide:sc= 1.1 K(o=1.3,f=-6.5!) USER MOD Set 2.2: A 48 TYR OH : rot 180:sc= 0.185 USER MOD Set 3.1: A 18 SER OG : rot 69:sc= 0.933 USER MOD Set 3.2: A 32 LYS NZ :NH3+ -175:sc= -0.438 (180deg=-0.586) USER MOD Set 4.1: A 16 CYS SG : rot -1:sc= -24.2! USER MOD Set 4.2: A 120 HEM CMC :methyl 150:sc= -0.231 (180deg=-0.231) USER MOD Set 5.1: A 11 ASN : amide:sc= -9! K(o=-14!,f=1.8) USER MOD Set 5.2: A 12 LYS NZ :NH3+ 164:sc= -5.18! (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -99:sc= 0.0547 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0482 USER MOD Single : A 25 THR OG1 : rot 92:sc= 1.2 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 177:sc= 0.00344 USER MOD Single : A 47 THR OG1 : rot -84:sc= 0.429 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 156:sc= 0.409 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -90:sc= 0.0137 USER MOD Single : A 63 SER OG : rot 22:sc= -1.52! USER MOD Single : A 68 THR OG1 : rot -115:sc= 0.655 USER MOD Single : A 74 THR OG1 : rot 70:sc= 0.0146 USER MOD Single : A 75 TYR OH : rot -14:sc= 1.27 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -174:sc= 0.507 (180deg=0.492) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 29:sc= 1.56 USER MOD Single : A 96 MET CE :methyl -177:sc= -0.895 (180deg=-0.913) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 150:sc= 0 USER MOD Single : A 113 SER OG : rot -69:sc= 0.712 USER MOD Single : A 116 LYS NZ :NH3+ 150:sc= 0.841 (180deg=0.445) USER MOD Single : A 120 HEM CMA :methyl 150:sc= -0.0375 (180deg=-0.0375) USER MOD Single : A 120 HEM CMB :methyl 150:sc= -4.3! (180deg=-4.3!) USER MOD Single : A 120 HEM CMD :methyl 150:sc= -0.232 (180deg=-0.232) USER MOD Single : B 1 GLY N :NH3+ -168:sc= 0 (180deg=-0.0953) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 ASN : amide:sc= -0.0103 X(o=-0.01,f=0) USER MOD Single : B 12 LYS NZ :NH3+ -135:sc= 0.0107 (180deg=-0.00505) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 CYS SG : rot 25:sc= -18.3! USER MOD Single : B 18 SER OG : rot 75:sc= 1.27 USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 THR OG1 : rot 155:sc= 0.927 USER MOD Single : B 38 TYR OH : rot 180:sc= 0 USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 THR OG1 : rot -91:sc= 1.47 USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 TYR OH : rot 147:sc= 0.863 USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 SER OG : rot -110:sc= 0 USER MOD Single : B 63 SER OG : rot -86:sc= 0.291 USER MOD Single : B 68 THR OG1 : rot -128:sc= 1.06 USER MOD Single : B 74 THR OG1 : rot 79:sc= 0.684 USER MOD Single : B 75 TYR OH : rot -34:sc= 1.68 USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 94 THR OG1 : rot 74:sc= 1.29 USER MOD Single : B 96 MET CE :methyl -148:sc= -0.92 (180deg=-1.84!) USER MOD Single : B 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 110 TYR OH : rot 120:sc=-0.00921 USER MOD Single : B 113 SER OG : rot -56:sc= 0.249 USER MOD Single : B 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 HEM CMA :methyl 150:sc= -0.0196 (180deg=-0.0196) USER MOD Single : B 120 HEM CMB :methyl 150:sc= -1.12 (180deg=-1.12) USER MOD Single : B 120 HEM CMC :methyl 150:sc= -0.0886 (180deg=-0.0886) USER MOD Single : B 120 HEM CMD :methyl 150:sc= -0.0862 (180deg=-0.0862) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.383 30.571 -4.212 1.00 89.86 N ATOM 2 CA GLY A 1 7.295 31.473 -4.577 1.00 33.44 C ATOM 3 C GLY A 1 7.237 31.737 -6.099 1.00 62.50 C ATOM 4 O GLY A 1 8.166 31.381 -6.815 1.00 49.80 O ATOM 0 H1 GLY A 1 8.063 29.748 -4.105 1.00 89.86 H new ATOM 0 H2 GLY A 1 8.996 30.569 -4.857 1.00 89.86 H new ATOM 0 H3 GLY A 1 8.754 30.846 -3.451 1.00 89.86 H new ATOM 0 HA2 GLY A 1 6.451 31.094 -4.284 1.00 33.44 H new ATOM 0 HA3 GLY A 1 7.405 32.315 -4.109 1.00 33.44 H new ATOM 5 N ASP A 2 6.137 32.369 -6.612 1.00 29.62 N ATOM 6 CA ASP A 2 5.972 32.665 -8.075 1.00 16.35 C ATOM 7 C ASP A 2 6.230 34.107 -8.484 1.00 38.77 C ATOM 8 O ASP A 2 5.485 35.018 -8.123 1.00 27.72 O ATOM 9 CB ASP A 2 4.575 32.322 -8.594 1.00 50.06 C ATOM 10 CG ASP A 2 4.465 32.033 -10.080 1.00 40.62 C ATOM 11 OD1 ASP A 2 3.806 31.093 -10.487 1.00100.00 O ATOM 12 OD2 ASP A 2 5.065 32.893 -10.875 1.00 64.89 O ATOM 0 H ASP A 2 5.477 32.633 -6.128 1.00 29.62 H new ATOM 0 HA ASP A 2 6.654 32.098 -8.469 1.00 16.35 H new ATOM 0 HB2 ASP A 2 4.251 31.548 -8.108 1.00 50.06 H new ATOM 0 HB3 ASP A 2 3.981 33.059 -8.382 1.00 50.06 H new ATOM 13 N ALA A 3 7.276 34.293 -9.271 1.00 21.51 N ATOM 14 CA ALA A 3 7.698 35.588 -9.773 1.00 36.28 C ATOM 15 C ALA A 3 6.793 36.197 -10.821 1.00 10.69 C ATOM 16 O ALA A 3 6.665 37.415 -10.916 1.00 44.87 O ATOM 17 CB ALA A 3 9.073 35.423 -10.376 1.00 17.35 C ATOM 0 H ALA A 3 7.777 33.647 -9.537 1.00 21.51 H new ATOM 0 HA ALA A 3 7.676 36.195 -9.017 1.00 36.28 H new ATOM 0 HB1 ALA A 3 9.380 36.276 -10.720 1.00 17.35 H new ATOM 0 HB2 ALA A 3 9.689 35.109 -9.696 1.00 17.35 H new ATOM 0 HB3 ALA A 3 9.034 34.778 -11.099 1.00 17.35 H new ATOM 18 N ALA A 4 6.191 35.345 -11.621 1.00 42.00 N ATOM 19 CA ALA A 4 5.308 35.789 -12.674 1.00 21.91 C ATOM 20 C ALA A 4 4.096 36.480 -12.092 1.00 20.25 C ATOM 21 O ALA A 4 3.594 37.480 -12.613 1.00 41.78 O ATOM 22 CB ALA A 4 4.902 34.594 -13.516 1.00 77.14 C ATOM 0 H ALA A 4 6.282 34.491 -11.570 1.00 42.00 H new ATOM 0 HA ALA A 4 5.769 36.431 -13.237 1.00 21.91 H new ATOM 0 HB1 ALA A 4 4.308 34.885 -14.226 1.00 77.14 H new ATOM 0 HB2 ALA A 4 5.693 34.187 -13.903 1.00 77.14 H new ATOM 0 HB3 ALA A 4 4.445 33.945 -12.958 1.00 77.14 H new ATOM 23 N LYS A 5 3.653 35.882 -10.986 1.00 27.94 N ATOM 24 CA LYS A 5 2.545 36.344 -10.227 1.00 24.68 C ATOM 25 C LYS A 5 2.866 37.566 -9.384 1.00 33.74 C ATOM 26 O LYS A 5 2.068 38.485 -9.200 1.00 42.46 O ATOM 27 CB LYS A 5 1.274 35.514 -10.141 1.00 47.01 C ATOM 28 CG LYS A 5 0.959 34.780 -8.863 1.00 80.08 C ATOM 29 CD LYS A 5 -0.549 34.772 -8.754 1.00100.00 C ATOM 30 CE LYS A 5 -1.094 34.272 -7.431 1.00100.00 C ATOM 31 NZ LYS A 5 -2.349 33.517 -7.577 1.00100.00 N ATOM 0 H LYS A 5 4.016 35.173 -10.662 1.00 27.94 H new ATOM 0 HA LYS A 5 1.734 36.692 -10.630 1.00 24.68 H new ATOM 0 HB2 LYS A 5 0.527 36.103 -10.331 1.00 47.01 H new ATOM 0 HB3 LYS A 5 1.305 34.857 -10.854 1.00 47.01 H new ATOM 0 HG2 LYS A 5 1.311 33.876 -8.885 1.00 80.08 H new ATOM 0 HG3 LYS A 5 1.361 35.223 -8.099 1.00 80.08 H new ATOM 0 HD2 LYS A 5 -0.875 35.673 -8.903 1.00100.00 H new ATOM 0 HD3 LYS A 5 -0.908 34.219 -9.466 1.00100.00 H new ATOM 0 HE2 LYS A 5 -0.430 33.707 -7.006 1.00100.00 H new ATOM 0 HE3 LYS A 5 -1.243 35.028 -6.842 1.00100.00 H new ATOM 0 HZ1 LYS A 5 -2.628 33.246 -6.776 1.00100.00 H new ATOM 0 HZ2 LYS A 5 -2.969 34.039 -7.945 1.00100.00 H new ATOM 0 HZ3 LYS A 5 -2.211 32.809 -8.098 1.00100.00 H new ATOM 32 N GLY A 6 4.128 37.540 -8.912 1.00 29.37 N ATOM 33 CA GLY A 6 4.721 38.585 -8.104 1.00 7.64 C ATOM 34 C GLY A 6 4.786 39.882 -8.891 1.00 25.98 C ATOM 35 O GLY A 6 4.472 40.954 -8.383 1.00 20.88 O ATOM 0 H GLY A 6 4.666 36.887 -9.067 1.00 29.37 H new ATOM 0 HA2 GLY A 6 4.199 38.714 -7.297 1.00 7.64 H new ATOM 0 HA3 GLY A 6 5.612 38.322 -7.826 1.00 7.64 H new ATOM 36 N GLU A 7 5.172 39.795 -10.131 1.00 13.23 N ATOM 37 CA GLU A 7 5.246 40.990 -10.929 1.00 18.16 C ATOM 38 C GLU A 7 3.912 41.726 -11.050 1.00 22.67 C ATOM 39 O GLU A 7 3.851 42.952 -11.164 1.00 22.11 O ATOM 40 CB GLU A 7 5.694 40.603 -12.351 1.00 18.45 C ATOM 41 CG GLU A 7 5.671 41.775 -13.331 1.00 31.81 C ATOM 42 CD GLU A 7 6.464 41.532 -14.587 1.00 59.14 C ATOM 43 OE1 GLU A 7 6.823 42.428 -15.327 1.00100.00 O ATOM 44 OE2 GLU A 7 6.760 40.267 -14.773 1.00 65.26 O ATOM 0 H GLU A 7 5.394 39.067 -10.531 1.00 13.23 H new ATOM 0 HA GLU A 7 5.872 41.584 -10.486 1.00 18.16 H new ATOM 0 HB2 GLU A 7 6.592 40.239 -12.313 1.00 18.45 H new ATOM 0 HB3 GLU A 7 5.117 39.899 -12.685 1.00 18.45 H new ATOM 0 HG2 GLU A 7 4.751 41.967 -13.571 1.00 31.81 H new ATOM 0 HG3 GLU A 7 6.018 42.564 -12.887 1.00 31.81 H new ATOM 45 N LYS A 8 2.861 40.936 -11.144 1.00 17.30 N ATOM 46 CA LYS A 8 1.479 41.353 -11.328 1.00 24.77 C ATOM 47 C LYS A 8 0.858 42.020 -10.119 1.00 17.88 C ATOM 48 O LYS A 8 0.024 42.923 -10.213 1.00 23.64 O ATOM 49 CB LYS A 8 0.725 40.078 -11.550 1.00 35.03 C ATOM 50 CG LYS A 8 0.382 39.845 -12.993 1.00 29.61 C ATOM 51 CD LYS A 8 0.294 38.374 -13.333 1.00100.00 C ATOM 52 CE LYS A 8 0.092 38.109 -14.811 1.00100.00 C ATOM 53 NZ LYS A 8 0.247 36.688 -15.154 1.00100.00 N ATOM 0 H LYS A 8 2.937 40.081 -11.099 1.00 17.30 H new ATOM 0 HA LYS A 8 1.445 42.001 -12.049 1.00 24.77 H new ATOM 0 HB2 LYS A 8 1.255 39.334 -11.224 1.00 35.03 H new ATOM 0 HB3 LYS A 8 -0.092 40.095 -11.027 1.00 35.03 H new ATOM 0 HG2 LYS A 8 -0.465 40.272 -13.195 1.00 29.61 H new ATOM 0 HG3 LYS A 8 1.052 40.265 -13.554 1.00 29.61 H new ATOM 0 HD2 LYS A 8 1.106 37.932 -13.040 1.00100.00 H new ATOM 0 HD3 LYS A 8 -0.439 37.978 -12.837 1.00100.00 H new ATOM 0 HE2 LYS A 8 -0.793 38.407 -15.072 1.00100.00 H new ATOM 0 HE3 LYS A 8 0.729 38.633 -15.321 1.00100.00 H new ATOM 0 HZ1 LYS A 8 0.121 36.578 -16.028 1.00100.00 H new ATOM 0 HZ2 LYS A 8 1.067 36.418 -14.937 1.00100.00 H new ATOM 0 HZ3 LYS A 8 -0.352 36.207 -14.705 1.00100.00 H new ATOM 54 N GLU A 9 1.328 41.478 -8.975 1.00 26.33 N ATOM 55 CA GLU A 9 1.022 41.777 -7.571 1.00 11.10 C ATOM 56 C GLU A 9 1.759 43.046 -7.100 1.00 35.20 C ATOM 57 O GLU A 9 1.337 43.710 -6.154 1.00 17.28 O ATOM 58 CB GLU A 9 1.478 40.574 -6.665 1.00 39.31 C ATOM 59 CG GLU A 9 0.650 39.254 -6.752 1.00 20.76 C ATOM 60 CD GLU A 9 -0.804 39.413 -6.378 1.00 59.14 C ATOM 61 OE1 GLU A 9 -1.293 40.470 -5.996 1.00 41.16 O ATOM 62 OE2 GLU A 9 -1.498 38.318 -6.544 1.00 57.82 O ATOM 0 H GLU A 9 1.909 40.845 -9.020 1.00 26.33 H new ATOM 0 HA GLU A 9 0.065 41.919 -7.497 1.00 11.10 H new ATOM 0 HB2 GLU A 9 2.399 40.365 -6.886 1.00 39.31 H new ATOM 0 HB3 GLU A 9 1.468 40.873 -5.742 1.00 39.31 H new ATOM 0 HG2 GLU A 9 0.705 38.908 -7.656 1.00 20.76 H new ATOM 0 HG3 GLU A 9 1.053 38.592 -6.169 1.00 20.76 H new ATOM 63 N PHE A 10 2.880 43.359 -7.785 1.00 16.42 N ATOM 64 CA PHE A 10 3.715 44.524 -7.498 1.00 16.36 C ATOM 65 C PHE A 10 2.889 45.804 -7.678 1.00 14.36 C ATOM 66 O PHE A 10 3.300 46.928 -7.363 1.00 27.42 O ATOM 67 CB PHE A 10 5.034 44.506 -8.310 1.00 23.40 C ATOM 68 CG PHE A 10 6.057 45.461 -7.720 1.00 19.75 C ATOM 69 CD1 PHE A 10 6.842 45.155 -6.608 1.00 17.34 C ATOM 70 CD2 PHE A 10 6.229 46.730 -8.277 1.00 21.12 C ATOM 71 CE1 PHE A 10 7.757 46.088 -6.102 1.00 22.55 C ATOM 72 CE2 PHE A 10 7.132 47.681 -7.793 1.00 11.27 C ATOM 73 CZ PHE A 10 7.902 47.351 -6.683 1.00 20.67 C ATOM 0 H PHE A 10 3.172 42.884 -8.440 1.00 16.42 H new ATOM 0 HA PHE A 10 4.001 44.495 -6.571 1.00 16.36 H new ATOM 0 HB2 PHE A 10 5.397 43.607 -8.322 1.00 23.40 H new ATOM 0 HB3 PHE A 10 4.853 44.751 -9.231 1.00 23.40 H new ATOM 0 HD1 PHE A 10 6.757 44.324 -6.199 1.00 17.34 H new ATOM 0 HD2 PHE A 10 5.711 46.956 -9.015 1.00 21.12 H new ATOM 0 HE1 PHE A 10 8.278 45.862 -5.365 1.00 22.55 H new ATOM 0 HE2 PHE A 10 7.216 48.512 -8.202 1.00 11.27 H new ATOM 0 HZ PHE A 10 8.507 47.964 -6.331 1.00 20.67 H new ATOM 74 N ASN A 11 1.675 45.578 -8.188 1.00 19.84 N ATOM 75 CA ASN A 11 0.741 46.649 -8.413 1.00 29.41 C ATOM 76 C ASN A 11 0.370 47.387 -7.130 1.00 20.16 C ATOM 77 O ASN A 11 0.001 48.549 -7.180 1.00 28.16 O ATOM 78 CB ASN A 11 -0.452 46.354 -9.375 1.00 32.99 C ATOM 79 CG ASN A 11 -1.463 45.286 -8.968 1.00 17.40 C ATOM 80 OD1 ASN A 11 -2.330 44.913 -9.773 1.00 38.34 O ATOM 81 ND2 ASN A 11 -1.373 44.800 -7.734 1.00 19.13 N ATOM 0 H ASN A 11 1.383 44.799 -8.408 1.00 19.84 H new ATOM 0 HA ASN A 11 1.245 47.282 -8.949 1.00 29.41 H new ATOM 0 HB2 ASN A 11 -0.936 47.184 -9.509 1.00 32.99 H new ATOM 0 HB3 ASN A 11 -0.083 46.099 -10.235 1.00 32.99 H new ATOM 0 HD21 ASN A 11 -1.930 44.202 -7.466 1.00 19.13 H new ATOM 0 HD22 ASN A 11 -0.758 45.083 -7.204 1.00 19.13 H new ATOM 82 N LYS A 12 0.482 46.720 -5.979 1.00 14.97 N ATOM 83 CA LYS A 12 0.173 47.324 -4.698 1.00 30.49 C ATOM 84 C LYS A 12 1.394 48.075 -4.177 1.00 21.65 C ATOM 85 O LYS A 12 1.323 48.856 -3.232 1.00 36.95 O ATOM 86 CB LYS A 12 -0.288 46.237 -3.751 1.00 18.67 C ATOM 87 CG LYS A 12 -1.643 45.731 -4.227 1.00 30.04 C ATOM 88 CD LYS A 12 -1.969 44.269 -3.939 1.00 22.36 C ATOM 89 CE LYS A 12 -1.680 43.317 -5.101 1.00 10.86 C ATOM 90 NZ LYS A 12 -2.708 43.326 -6.159 1.00 24.74 N ATOM 0 H LYS A 12 0.741 45.902 -5.927 1.00 14.97 H new ATOM 0 HA LYS A 12 -0.543 47.973 -4.782 1.00 30.49 H new ATOM 0 HB2 LYS A 12 0.355 45.511 -3.731 1.00 18.67 H new ATOM 0 HB3 LYS A 12 -0.355 46.582 -2.847 1.00 18.67 H new ATOM 0 HG2 LYS A 12 -2.331 46.280 -3.820 1.00 30.04 H new ATOM 0 HG3 LYS A 12 -1.699 45.870 -5.185 1.00 30.04 H new ATOM 0 HD2 LYS A 12 -1.459 43.982 -3.165 1.00 22.36 H new ATOM 0 HD3 LYS A 12 -2.907 44.198 -3.703 1.00 22.36 H new ATOM 0 HE2 LYS A 12 -0.824 43.552 -5.493 1.00 10.86 H new ATOM 0 HE3 LYS A 12 -1.595 42.415 -4.754 1.00 10.86 H new ATOM 0 HZ1 LYS A 12 -2.382 42.944 -6.894 1.00 24.74 H new ATOM 0 HZ2 LYS A 12 -3.423 42.874 -5.882 1.00 24.74 H new ATOM 0 HZ3 LYS A 12 -2.941 44.166 -6.340 1.00 24.74 H new ATOM 91 N CYS A 13 2.530 47.845 -4.805 1.00 16.37 N ATOM 92 CA CYS A 13 3.725 48.509 -4.339 1.00 13.83 C ATOM 93 C CYS A 13 4.180 49.697 -5.133 1.00 26.03 C ATOM 94 O CYS A 13 4.804 50.618 -4.598 1.00 26.86 O ATOM 95 CB CYS A 13 4.893 47.520 -4.265 1.00 10.16 C ATOM 96 SG CYS A 13 4.419 45.858 -3.743 1.00 21.44 S ATOM 0 H CYS A 13 2.630 47.325 -5.482 1.00 16.37 H new ATOM 0 HA CYS A 13 3.467 48.848 -3.468 1.00 13.83 H new ATOM 0 HB2 CYS A 13 5.315 47.467 -5.137 1.00 10.16 H new ATOM 0 HB3 CYS A 13 5.558 47.865 -3.649 1.00 10.16 H new ATOM 97 N LYS A 14 3.897 49.667 -6.414 1.00 20.57 N ATOM 98 CA LYS A 14 4.331 50.747 -7.265 1.00 25.46 C ATOM 99 C LYS A 14 3.873 52.129 -6.900 1.00 7.27 C ATOM 100 O LYS A 14 4.445 53.114 -7.349 1.00 29.41 O ATOM 101 CB LYS A 14 4.207 50.486 -8.736 1.00 14.98 C ATOM 102 CG LYS A 14 2.775 50.625 -9.193 1.00 7.95 C ATOM 103 CD LYS A 14 2.618 50.595 -10.703 1.00100.00 C ATOM 104 CE LYS A 14 1.832 49.396 -11.230 1.00100.00 C ATOM 105 NZ LYS A 14 2.119 49.103 -12.645 1.00100.00 N ATOM 0 H LYS A 14 3.460 49.040 -6.808 1.00 20.57 H new ATOM 0 HA LYS A 14 5.279 50.750 -7.061 1.00 25.46 H new ATOM 0 HB2 LYS A 14 4.768 51.107 -9.226 1.00 14.98 H new ATOM 0 HB3 LYS A 14 4.529 49.593 -8.938 1.00 14.98 H new ATOM 0 HG2 LYS A 14 2.248 49.909 -8.806 1.00 7.95 H new ATOM 0 HG3 LYS A 14 2.414 51.459 -8.854 1.00 7.95 H new ATOM 0 HD2 LYS A 14 2.175 51.409 -10.988 1.00100.00 H new ATOM 0 HD3 LYS A 14 3.499 50.595 -11.109 1.00100.00 H new ATOM 0 HE2 LYS A 14 2.042 48.616 -10.693 1.00100.00 H new ATOM 0 HE3 LYS A 14 0.883 49.565 -11.125 1.00100.00 H new ATOM 0 HZ1 LYS A 14 1.640 48.400 -12.906 1.00100.00 H new ATOM 0 HZ2 LYS A 14 1.905 49.808 -13.144 1.00100.00 H new ATOM 0 HZ3 LYS A 14 2.985 48.924 -12.741 1.00100.00 H new ATOM 106 N THR A 15 2.857 52.192 -6.101 1.00 19.56 N ATOM 107 CA THR A 15 2.283 53.405 -5.624 1.00 12.19 C ATOM 108 C THR A 15 3.295 54.179 -4.789 1.00 14.02 C ATOM 109 O THR A 15 3.231 55.398 -4.679 1.00 42.48 O ATOM 110 CB THR A 15 1.181 52.879 -4.724 1.00 19.59 C ATOM 111 OG1 THR A 15 0.462 51.913 -5.456 1.00 61.27 O ATOM 112 CG2 THR A 15 0.258 53.980 -4.256 1.00 23.40 C ATOM 0 H THR A 15 2.459 51.490 -5.803 1.00 19.56 H new ATOM 0 HA THR A 15 1.986 54.006 -6.326 1.00 12.19 H new ATOM 0 HB THR A 15 1.573 52.491 -3.926 1.00 19.59 H new ATOM 0 HG1 THR A 15 -0.156 51.603 -4.979 1.00 61.27 H new ATOM 0 HG21 THR A 15 -0.430 53.605 -3.685 1.00 23.40 H new ATOM 0 HG22 THR A 15 0.767 54.639 -3.758 1.00 23.40 H new ATOM 0 HG23 THR A 15 -0.155 54.404 -5.024 1.00 23.40 H new ATOM 113 N CYS A 16 4.238 53.457 -4.191 1.00 17.27 N ATOM 114 CA CYS A 16 5.233 54.110 -3.359 1.00 8.94 C ATOM 115 C CYS A 16 6.666 53.812 -3.698 1.00 12.56 C ATOM 116 O CYS A 16 7.548 54.613 -3.418 1.00 18.41 O ATOM 117 CB CYS A 16 5.024 53.740 -1.898 1.00 9.08 C ATOM 118 SG CYS A 16 3.427 54.316 -1.296 1.00 22.40 S ATOM 0 H CYS A 16 4.317 52.603 -4.254 1.00 17.27 H new ATOM 0 HA CYS A 16 5.094 55.055 -3.530 1.00 8.94 H new ATOM 0 HB2 CYS A 16 5.082 52.777 -1.795 1.00 9.08 H new ATOM 0 HB3 CYS A 16 5.733 54.126 -1.360 1.00 9.08 H new ATOM 0 HG CYS A 16 2.851 54.892 -2.177 1.00 22.40 H new ATOM 119 N HIS A 17 6.904 52.653 -4.278 1.00 9.37 N ATOM 120 CA HIS A 17 8.243 52.223 -4.630 1.00 13.88 C ATOM 121 C HIS A 17 8.431 52.086 -6.127 1.00 9.96 C ATOM 122 O HIS A 17 7.460 51.997 -6.870 1.00 24.33 O ATOM 123 CB HIS A 17 8.427 50.789 -4.113 1.00 1.00 C ATOM 124 CG HIS A 17 8.502 50.581 -2.643 1.00 13.81 C ATOM 125 ND1 HIS A 17 9.678 50.811 -1.964 1.00 17.40 N ATOM 126 CD2 HIS A 17 7.568 50.131 -1.753 1.00 20.98 C ATOM 127 CE1 HIS A 17 9.445 50.521 -0.694 1.00 17.64 C ATOM 128 NE2 HIS A 17 8.192 50.104 -0.529 1.00 15.12 N ATOM 0 H HIS A 17 6.289 52.087 -4.481 1.00 9.37 H new ATOM 0 HA HIS A 17 8.856 52.879 -4.262 1.00 13.88 H new ATOM 0 HB2 HIS A 17 7.692 50.255 -4.452 1.00 1.00 H new ATOM 0 HB3 HIS A 17 9.240 50.434 -4.505 1.00 1.00 H new ATOM 0 HD1 HIS A 17 10.419 51.089 -2.300 1.00 17.40 H new ATOM 0 HD2 HIS A 17 6.689 49.892 -1.938 1.00 20.98 H new ATOM 0 HE1 HIS A 17 10.071 50.598 -0.011 1.00 17.64 H new ATOM 129 N SER A 18 9.702 52.030 -6.550 1.00 24.13 N ATOM 130 CA SER A 18 10.108 51.874 -7.947 1.00 10.60 C ATOM 131 C SER A 18 11.213 50.792 -8.026 1.00 12.17 C ATOM 132 O SER A 18 11.816 50.463 -7.006 1.00 20.08 O ATOM 133 CB SER A 18 10.698 53.184 -8.473 1.00 5.37 C ATOM 134 OG SER A 18 9.774 54.247 -8.315 1.00 23.84 O ATOM 0 H SER A 18 10.370 52.084 -6.011 1.00 24.13 H new ATOM 0 HA SER A 18 9.333 51.625 -8.475 1.00 10.60 H new ATOM 0 HB2 SER A 18 11.518 53.389 -7.998 1.00 5.37 H new ATOM 0 HB3 SER A 18 10.930 53.087 -9.410 1.00 5.37 H new ATOM 0 HG SER A 18 9.682 54.419 -7.498 1.00 23.84 H new ATOM 135 N ILE A 19 11.499 50.235 -9.211 1.00 17.59 N ATOM 136 CA ILE A 19 12.570 49.235 -9.357 1.00 4.15 C ATOM 137 C ILE A 19 13.484 49.796 -10.412 1.00 37.19 C ATOM 138 O ILE A 19 13.147 49.840 -11.597 1.00 27.21 O ATOM 139 CB ILE A 19 12.174 47.782 -9.530 1.00 17.72 C ATOM 140 CG1 ILE A 19 11.317 47.395 -8.335 1.00 25.06 C ATOM 141 CG2 ILE A 19 13.447 46.946 -9.529 1.00 11.00 C ATOM 142 CD1 ILE A 19 10.675 46.026 -8.482 1.00 11.58 C ATOM 0 H ILE A 19 11.086 50.422 -9.942 1.00 17.59 H new ATOM 0 HA ILE A 19 13.023 49.124 -8.506 1.00 4.15 H new ATOM 0 HB ILE A 19 11.685 47.640 -10.356 1.00 17.72 H new ATOM 0 HG12 ILE A 19 11.864 47.406 -7.534 1.00 25.06 H new ATOM 0 HG13 ILE A 19 10.622 48.061 -8.213 1.00 25.06 H new ATOM 0 HG21 ILE A 19 13.219 46.009 -9.639 1.00 11.00 H new ATOM 0 HG22 ILE A 19 14.019 47.227 -10.260 1.00 11.00 H new ATOM 0 HG23 ILE A 19 13.914 47.068 -8.688 1.00 11.00 H new ATOM 0 HD11 ILE A 19 10.143 45.832 -7.695 1.00 11.58 H new ATOM 0 HD12 ILE A 19 10.105 46.018 -9.267 1.00 11.58 H new ATOM 0 HD13 ILE A 19 11.367 45.353 -8.578 1.00 11.58 H new ATOM 143 N ILE A 20 14.602 50.324 -9.946 1.00 22.58 N ATOM 144 CA ILE A 20 15.550 50.972 -10.796 1.00 17.02 C ATOM 145 C ILE A 20 16.939 50.395 -10.655 1.00 12.93 C ATOM 146 O ILE A 20 17.507 50.357 -9.564 1.00 17.95 O ATOM 147 CB ILE A 20 15.563 52.468 -10.451 1.00 24.15 C ATOM 148 CG1 ILE A 20 14.150 53.056 -10.279 1.00 20.44 C ATOM 149 CG2 ILE A 20 16.295 53.231 -11.535 1.00 18.61 C ATOM 150 CD1 ILE A 20 13.889 54.258 -11.188 1.00 18.42 C ATOM 0 H ILE A 20 14.825 50.311 -9.116 1.00 22.58 H new ATOM 0 HA ILE A 20 15.283 50.832 -11.718 1.00 17.02 H new ATOM 0 HB ILE A 20 16.018 52.559 -9.599 1.00 24.15 H new ATOM 0 HG12 ILE A 20 13.493 52.367 -10.466 1.00 20.44 H new ATOM 0 HG13 ILE A 20 14.026 53.323 -9.355 1.00 20.44 H new ATOM 0 HG21 ILE A 20 16.303 54.176 -11.317 1.00 18.61 H new ATOM 0 HG22 ILE A 20 17.207 52.907 -11.600 1.00 18.61 H new ATOM 0 HG23 ILE A 20 15.845 53.100 -12.384 1.00 18.61 H new ATOM 0 HD11 ILE A 20 12.989 54.587 -11.039 1.00 18.42 H new ATOM 0 HD12 ILE A 20 14.527 54.961 -10.987 1.00 18.42 H new ATOM 0 HD13 ILE A 20 13.986 53.990 -12.115 1.00 18.42 H new ATOM 151 N ALA A 21 17.479 49.953 -11.779 1.00 10.08 N ATOM 152 CA ALA A 21 18.799 49.367 -11.823 1.00 10.39 C ATOM 153 C ALA A 21 19.895 50.420 -11.728 1.00 7.93 C ATOM 154 O ALA A 21 19.675 51.591 -12.015 1.00 12.90 O ATOM 155 CB ALA A 21 18.961 48.535 -13.081 1.00 6.10 C ATOM 0 H ALA A 21 17.084 49.986 -12.542 1.00 10.08 H new ATOM 0 HA ALA A 21 18.891 48.790 -11.049 1.00 10.39 H new ATOM 0 HB1 ALA A 21 19.850 48.147 -13.100 1.00 6.10 H new ATOM 0 HB2 ALA A 21 18.299 47.826 -13.088 1.00 6.10 H new ATOM 0 HB3 ALA A 21 18.838 49.099 -13.860 1.00 6.10 H new ATOM 156 N PRO A 22 21.087 49.995 -11.325 1.00 14.81 N ATOM 157 CA PRO A 22 22.221 50.901 -11.173 1.00 27.57 C ATOM 158 C PRO A 22 22.616 51.801 -12.349 1.00 29.89 C ATOM 159 O PRO A 22 23.187 52.875 -12.146 1.00 14.51 O ATOM 160 CB PRO A 22 23.384 50.094 -10.619 1.00 45.62 C ATOM 161 CG PRO A 22 22.803 48.750 -10.191 1.00 15.31 C ATOM 162 CD PRO A 22 21.422 48.635 -10.820 1.00 17.89 C ATOM 0 HA PRO A 22 21.922 51.588 -10.556 1.00 27.57 H new ATOM 0 HB2 PRO A 22 24.074 49.975 -11.290 1.00 45.62 H new ATOM 0 HB3 PRO A 22 23.795 50.549 -9.867 1.00 45.62 H new ATOM 0 HG2 PRO A 22 23.374 48.022 -10.483 1.00 15.31 H new ATOM 0 HG3 PRO A 22 22.744 48.695 -9.224 1.00 15.31 H new ATOM 0 HD2 PRO A 22 21.422 47.987 -11.542 1.00 17.89 H new ATOM 0 HD3 PRO A 22 20.768 48.335 -10.169 1.00 17.89 H new ATOM 163 N ASP A 23 22.328 51.388 -13.559 1.00 16.67 N ATOM 164 CA ASP A 23 22.676 52.223 -14.676 1.00 13.35 C ATOM 165 C ASP A 23 21.506 53.125 -14.998 1.00 23.73 C ATOM 166 O ASP A 23 21.514 53.817 -16.010 1.00 25.23 O ATOM 167 CB ASP A 23 23.008 51.397 -15.909 1.00 14.56 C ATOM 168 CG ASP A 23 21.818 50.575 -16.275 1.00 29.53 C ATOM 169 OD1 ASP A 23 20.698 50.818 -15.865 1.00 23.63 O ATOM 170 OD2 ASP A 23 22.103 49.570 -17.058 1.00 44.87 O ATOM 0 H ASP A 23 21.940 50.645 -13.753 1.00 16.67 H new ATOM 0 HA ASP A 23 23.459 52.741 -14.434 1.00 13.35 H new ATOM 0 HB2 ASP A 23 23.254 51.978 -16.646 1.00 14.56 H new ATOM 0 HB3 ASP A 23 23.771 50.824 -15.733 1.00 14.56 H new ATOM 171 N GLY A 24 20.481 53.108 -14.138 1.00 24.83 N ATOM 172 CA GLY A 24 19.313 53.952 -14.350 1.00 20.79 C ATOM 173 C GLY A 24 18.131 53.313 -15.060 1.00 9.80 C ATOM 174 O GLY A 24 17.066 53.910 -15.152 1.00 30.31 O ATOM 0 H GLY A 24 20.448 52.617 -13.433 1.00 24.83 H new ATOM 0 HA2 GLY A 24 19.010 54.273 -13.486 1.00 20.79 H new ATOM 0 HA3 GLY A 24 19.589 54.729 -14.861 1.00 20.79 H new ATOM 175 N THR A 25 18.287 52.130 -15.552 1.00 23.44 N ATOM 176 CA THR A 25 17.179 51.498 -16.223 1.00 17.85 C ATOM 177 C THR A 25 15.951 51.377 -15.321 1.00 13.92 C ATOM 178 O THR A 25 16.071 50.884 -14.208 1.00 35.03 O ATOM 179 CB THR A 25 17.584 50.060 -16.480 1.00 30.19 C ATOM 180 OG1 THR A 25 18.776 49.987 -17.226 1.00 26.88 O ATOM 181 CG2 THR A 25 16.461 49.325 -17.187 1.00 16.64 C ATOM 0 H THR A 25 19.012 51.669 -15.516 1.00 23.44 H new ATOM 0 HA THR A 25 16.972 52.023 -17.012 1.00 17.85 H new ATOM 0 HB THR A 25 17.751 49.633 -15.625 1.00 30.19 H new ATOM 0 HG1 THR A 25 19.432 49.946 -16.703 1.00 26.88 H new ATOM 0 HG21 THR A 25 16.727 48.406 -17.348 1.00 16.64 H new ATOM 0 HG22 THR A 25 15.665 49.339 -16.632 1.00 16.64 H new ATOM 0 HG23 THR A 25 16.272 49.760 -18.033 1.00 16.64 H new ATOM 182 N GLU A 26 14.774 51.778 -15.809 1.00 28.28 N ATOM 183 CA GLU A 26 13.528 51.700 -15.055 1.00 25.50 C ATOM 184 C GLU A 26 12.784 50.399 -15.206 1.00 20.86 C ATOM 185 O GLU A 26 11.960 50.235 -16.103 1.00 44.76 O ATOM 186 CB GLU A 26 12.609 52.819 -15.440 1.00 19.86 C ATOM 187 CG GLU A 26 12.467 53.749 -14.253 1.00 77.95 C ATOM 188 CD GLU A 26 12.286 55.140 -14.717 1.00100.00 C ATOM 189 OE1 GLU A 26 11.810 56.037 -14.043 1.00100.00 O ATOM 190 OE2 GLU A 26 12.639 55.290 -15.979 1.00100.00 O ATOM 0 H GLU A 26 14.680 52.107 -16.598 1.00 28.28 H new ATOM 0 HA GLU A 26 13.797 51.767 -14.125 1.00 25.50 H new ATOM 0 HB2 GLU A 26 12.963 53.299 -16.205 1.00 19.86 H new ATOM 0 HB3 GLU A 26 11.742 52.470 -15.701 1.00 19.86 H new ATOM 0 HG2 GLU A 26 11.709 53.480 -13.711 1.00 77.95 H new ATOM 0 HG3 GLU A 26 13.254 53.688 -13.689 1.00 77.95 H new ATOM 191 N ILE A 27 13.053 49.481 -14.340 1.00 28.39 N ATOM 192 CA ILE A 27 12.385 48.230 -14.425 1.00 28.85 C ATOM 193 C ILE A 27 10.903 48.396 -14.082 1.00 29.83 C ATOM 194 O ILE A 27 10.022 47.852 -14.743 1.00 27.09 O ATOM 195 CB ILE A 27 13.134 47.282 -13.544 1.00 29.22 C ATOM 196 CG1 ILE A 27 14.481 46.922 -14.160 1.00 12.13 C ATOM 197 CG2 ILE A 27 12.318 46.044 -13.255 1.00 18.70 C ATOM 198 CD1 ILE A 27 15.423 46.313 -13.126 1.00 34.87 C ATOM 0 H ILE A 27 13.617 49.558 -13.695 1.00 28.39 H new ATOM 0 HA ILE A 27 12.382 47.865 -15.324 1.00 28.85 H new ATOM 0 HB ILE A 27 13.300 47.727 -12.698 1.00 29.22 H new ATOM 0 HG12 ILE A 27 14.348 46.295 -14.888 1.00 12.13 H new ATOM 0 HG13 ILE A 27 14.887 47.716 -14.541 1.00 12.13 H new ATOM 0 HG21 ILE A 27 12.826 45.448 -12.683 1.00 18.70 H new ATOM 0 HG22 ILE A 27 11.495 46.296 -12.809 1.00 18.70 H new ATOM 0 HG23 ILE A 27 12.109 45.592 -14.088 1.00 18.70 H new ATOM 0 HD11 ILE A 27 16.269 46.095 -13.547 1.00 34.87 H new ATOM 0 HD12 ILE A 27 15.573 46.950 -12.410 1.00 34.87 H new ATOM 0 HD13 ILE A 27 15.026 45.506 -12.762 1.00 34.87 H new ATOM 199 N VAL A 28 10.648 49.163 -13.045 1.00 26.28 N ATOM 200 CA VAL A 28 9.315 49.481 -12.599 1.00 20.30 C ATOM 201 C VAL A 28 9.430 50.920 -12.256 1.00 11.92 C ATOM 202 O VAL A 28 10.217 51.312 -11.399 1.00 30.36 O ATOM 203 CB VAL A 28 8.759 48.681 -11.408 1.00 29.07 C ATOM 204 CG1 VAL A 28 7.451 49.293 -10.911 1.00 20.04 C ATOM 205 CG2 VAL A 28 8.492 47.250 -11.835 1.00 20.52 C ATOM 0 H VAL A 28 11.265 49.524 -12.567 1.00 26.28 H new ATOM 0 HA VAL A 28 8.676 49.253 -13.292 1.00 20.30 H new ATOM 0 HB VAL A 28 9.415 48.703 -10.694 1.00 29.07 H new ATOM 0 HG11 VAL A 28 7.116 48.776 -10.161 1.00 20.04 H new ATOM 0 HG12 VAL A 28 7.608 50.207 -10.628 1.00 20.04 H new ATOM 0 HG13 VAL A 28 6.797 49.284 -11.627 1.00 20.04 H new ATOM 0 HG21 VAL A 28 8.142 46.748 -11.083 1.00 20.52 H new ATOM 0 HG22 VAL A 28 7.845 47.243 -12.557 1.00 20.52 H new ATOM 0 HG23 VAL A 28 9.319 46.843 -12.138 1.00 20.52 H new ATOM 206 N LYS A 29 8.691 51.708 -12.940 1.00 21.16 N ATOM 207 CA LYS A 29 8.683 53.110 -12.733 1.00 25.81 C ATOM 208 C LYS A 29 7.511 53.317 -11.816 1.00 25.52 C ATOM 209 O LYS A 29 6.362 53.171 -12.238 1.00 50.63 O ATOM 210 CB LYS A 29 8.280 53.620 -14.104 1.00 42.56 C ATOM 211 CG LYS A 29 8.596 55.014 -14.622 1.00100.00 C ATOM 212 CD LYS A 29 7.814 55.264 -15.966 1.00100.00 C ATOM 213 CE LYS A 29 8.456 54.764 -17.307 1.00100.00 C ATOM 214 NZ LYS A 29 7.551 54.836 -18.491 1.00100.00 N ATOM 0 H LYS A 29 8.159 51.442 -13.561 1.00 21.16 H new ATOM 0 HA LYS A 29 9.496 53.513 -12.390 1.00 25.81 H new ATOM 0 HB2 LYS A 29 8.661 53.000 -14.746 1.00 42.56 H new ATOM 0 HB3 LYS A 29 7.316 53.525 -14.155 1.00 42.56 H new ATOM 0 HG2 LYS A 29 8.345 55.679 -13.962 1.00100.00 H new ATOM 0 HG3 LYS A 29 9.550 55.106 -14.770 1.00100.00 H new ATOM 0 HD2 LYS A 29 6.942 54.847 -15.882 1.00100.00 H new ATOM 0 HD3 LYS A 29 7.665 56.219 -16.048 1.00100.00 H new ATOM 0 HE2 LYS A 29 9.250 55.291 -17.488 1.00100.00 H new ATOM 0 HE3 LYS A 29 8.746 53.846 -17.191 1.00100.00 H new ATOM 0 HZ1 LYS A 29 7.980 54.538 -19.212 1.00100.00 H new ATOM 0 HZ2 LYS A 29 6.831 54.333 -18.346 1.00100.00 H new ATOM 0 HZ3 LYS A 29 7.301 55.680 -18.623 1.00100.00 H new ATOM 215 N GLY A 30 7.792 53.627 -10.577 1.00 30.61 N ATOM 216 CA GLY A 30 6.769 53.860 -9.606 1.00 10.39 C ATOM 217 C GLY A 30 7.064 55.173 -8.922 1.00 18.48 C ATOM 218 O GLY A 30 7.689 56.070 -9.497 1.00 35.23 O ATOM 0 H GLY A 30 8.593 53.709 -10.274 1.00 30.61 H new ATOM 0 HA2 GLY A 30 5.898 53.888 -10.032 1.00 10.39 H new ATOM 0 HA3 GLY A 30 6.746 53.138 -8.958 1.00 10.39 H new ATOM 219 N ALA A 31 6.614 55.259 -7.681 1.00 20.33 N ATOM 220 CA ALA A 31 6.793 56.424 -6.849 1.00 17.40 C ATOM 221 C ALA A 31 8.147 56.434 -6.144 1.00 16.50 C ATOM 222 O ALA A 31 8.909 55.462 -6.182 1.00 22.72 O ATOM 223 CB ALA A 31 5.661 56.538 -5.840 1.00 7.19 C ATOM 0 H ALA A 31 6.185 54.622 -7.293 1.00 20.33 H new ATOM 0 HA ALA A 31 6.773 57.198 -7.434 1.00 17.40 H new ATOM 0 HB1 ALA A 31 5.796 57.325 -5.289 1.00 7.19 H new ATOM 0 HB2 ALA A 31 4.815 56.613 -6.309 1.00 7.19 H new ATOM 0 HB3 ALA A 31 5.648 55.748 -5.277 1.00 7.19 H new ATOM 224 N LYS A 32 8.412 57.583 -5.495 1.00 25.79 N ATOM 225 CA LYS A 32 9.648 57.835 -4.752 1.00 22.76 C ATOM 226 C LYS A 32 9.482 58.103 -3.262 1.00 16.31 C ATOM 227 O LYS A 32 10.372 58.635 -2.599 1.00 36.45 O ATOM 228 CB LYS A 32 10.630 58.751 -5.477 1.00 19.15 C ATOM 229 CG LYS A 32 10.603 58.442 -6.967 1.00 9.13 C ATOM 230 CD LYS A 32 11.831 58.851 -7.775 1.00 26.00 C ATOM 231 CE LYS A 32 11.890 58.167 -9.140 1.00 44.46 C ATOM 232 NZ LYS A 32 11.011 56.990 -9.235 1.00 58.01 N ATOM 0 H LYS A 32 7.864 58.245 -5.478 1.00 25.79 H new ATOM 0 HA LYS A 32 10.091 56.972 -4.746 1.00 22.76 H new ATOM 0 HB2 LYS A 32 10.395 59.680 -5.325 1.00 19.15 H new ATOM 0 HB3 LYS A 32 11.525 58.624 -5.126 1.00 19.15 H new ATOM 0 HG2 LYS A 32 10.474 57.487 -7.076 1.00 9.13 H new ATOM 0 HG3 LYS A 32 9.828 58.879 -7.353 1.00 9.13 H new ATOM 0 HD2 LYS A 32 11.827 59.813 -7.899 1.00 26.00 H new ATOM 0 HD3 LYS A 32 12.632 58.633 -7.273 1.00 26.00 H new ATOM 0 HE2 LYS A 32 11.642 58.806 -9.827 1.00 44.46 H new ATOM 0 HE3 LYS A 32 12.804 57.897 -9.321 1.00 44.46 H new ATOM 0 HZ1 LYS A 32 11.136 56.588 -10.019 1.00 58.01 H new ATOM 0 HZ2 LYS A 32 11.203 56.422 -8.577 1.00 58.01 H new ATOM 0 HZ3 LYS A 32 10.162 57.247 -9.166 1.00 58.01 H new ATOM 233 N THR A 33 8.341 57.714 -2.731 1.00 17.27 N ATOM 234 CA THR A 33 8.115 57.916 -1.326 1.00 29.69 C ATOM 235 C THR A 33 8.622 56.747 -0.479 1.00 31.75 C ATOM 236 O THR A 33 8.833 56.889 0.723 1.00 19.28 O ATOM 237 CB THR A 33 6.705 58.399 -1.006 1.00 14.03 C ATOM 238 OG1 THR A 33 5.806 57.407 -1.420 1.00 24.11 O ATOM 239 CG2 THR A 33 6.432 59.681 -1.787 1.00 31.58 C ATOM 0 H THR A 33 7.697 57.338 -3.160 1.00 17.27 H new ATOM 0 HA THR A 33 8.670 58.664 -1.054 1.00 29.69 H new ATOM 0 HB THR A 33 6.607 58.571 -0.056 1.00 14.03 H new ATOM 0 HG1 THR A 33 5.021 57.652 -1.251 1.00 24.11 H new ATOM 0 HG21 THR A 33 5.536 59.996 -1.589 1.00 31.58 H new ATOM 0 HG22 THR A 33 7.076 60.359 -1.531 1.00 31.58 H new ATOM 0 HG23 THR A 33 6.510 59.504 -2.738 1.00 31.58 H new ATOM 240 N GLY A 34 8.852 55.613 -1.133 1.00 15.80 N ATOM 241 CA GLY A 34 9.390 54.425 -0.512 1.00 9.17 C ATOM 242 C GLY A 34 10.736 54.259 -1.185 1.00 31.80 C ATOM 243 O GLY A 34 10.924 54.779 -2.278 1.00 7.52 O ATOM 0 H GLY A 34 8.693 55.518 -1.973 1.00 15.80 H new ATOM 0 HA2 GLY A 34 9.481 54.533 0.448 1.00 9.17 H new ATOM 0 HA3 GLY A 34 8.819 53.655 -0.659 1.00 9.17 H new ATOM 244 N PRO A 35 11.671 53.580 -0.587 1.00 15.26 N ATOM 245 CA PRO A 35 12.988 53.420 -1.223 1.00 10.73 C ATOM 246 C PRO A 35 12.996 52.509 -2.458 1.00 21.97 C ATOM 247 O PRO A 35 12.104 51.693 -2.630 1.00 22.03 O ATOM 248 CB PRO A 35 13.807 52.681 -0.174 1.00 19.19 C ATOM 249 CG PRO A 35 12.796 52.001 0.742 1.00 19.57 C ATOM 250 CD PRO A 35 11.599 52.919 0.739 1.00 6.78 C ATOM 0 HA PRO A 35 13.304 54.292 -1.507 1.00 10.73 H new ATOM 0 HB2 PRO A 35 14.395 52.029 -0.587 1.00 19.19 H new ATOM 0 HB3 PRO A 35 14.369 53.295 0.324 1.00 19.19 H new ATOM 0 HG2 PRO A 35 12.563 51.118 0.416 1.00 19.57 H new ATOM 0 HG3 PRO A 35 13.152 51.888 1.637 1.00 19.57 H new ATOM 0 HD2 PRO A 35 10.771 52.426 0.848 1.00 6.78 H new ATOM 0 HD3 PRO A 35 11.642 53.564 1.462 1.00 6.78 H new ATOM 251 N ASN A 36 14.034 52.633 -3.307 1.00 25.63 N ATOM 252 CA ASN A 36 14.202 51.801 -4.517 1.00 13.83 C ATOM 253 C ASN A 36 14.247 50.316 -4.098 1.00 15.50 C ATOM 254 O ASN A 36 15.007 49.975 -3.199 1.00 15.87 O ATOM 255 CB ASN A 36 15.581 52.151 -5.146 1.00 3.49 C ATOM 256 CG ASN A 36 15.940 51.406 -6.427 1.00 32.87 C ATOM 257 OD1 ASN A 36 15.253 50.460 -6.842 1.00 19.73 O ATOM 258 ND2 ASN A 36 16.988 51.873 -7.101 1.00 15.76 N ATOM 0 H ASN A 36 14.665 53.207 -3.195 1.00 25.63 H new ATOM 0 HA ASN A 36 13.475 51.959 -5.139 1.00 13.83 H new ATOM 0 HB2 ASN A 36 15.600 53.103 -5.331 1.00 3.49 H new ATOM 0 HB3 ASN A 36 16.271 51.976 -4.487 1.00 3.49 H new ATOM 0 HD21 ASN A 36 17.209 51.517 -7.852 1.00 15.76 H new ATOM 0 HD22 ASN A 36 17.444 52.531 -6.786 1.00 15.76 H new ATOM 259 N LEU A 37 13.470 49.416 -4.722 1.00 5.30 N ATOM 260 CA LEU A 37 13.534 48.011 -4.301 1.00 6.54 C ATOM 261 C LEU A 37 14.423 47.127 -5.145 1.00 13.35 C ATOM 262 O LEU A 37 14.551 45.943 -4.854 1.00 11.96 O ATOM 263 CB LEU A 37 12.175 47.338 -4.072 1.00 9.60 C ATOM 264 CG LEU A 37 11.273 48.102 -3.121 1.00 23.32 C ATOM 265 CD1 LEU A 37 9.903 47.438 -3.064 1.00 3.97 C ATOM 266 CD2 LEU A 37 11.893 48.134 -1.732 1.00 14.86 C ATOM 0 H LEU A 37 12.923 49.589 -5.363 1.00 5.30 H new ATOM 0 HA LEU A 37 13.960 48.094 -3.433 1.00 6.54 H new ATOM 0 HB2 LEU A 37 11.724 47.239 -4.925 1.00 9.60 H new ATOM 0 HB3 LEU A 37 12.319 46.445 -3.722 1.00 9.60 H new ATOM 0 HG LEU A 37 11.171 49.012 -3.442 1.00 23.32 H new ATOM 0 HD11 LEU A 37 9.330 47.930 -2.455 1.00 3.97 H new ATOM 0 HD12 LEU A 37 9.507 47.436 -3.949 1.00 3.97 H new ATOM 0 HD13 LEU A 37 9.999 46.525 -2.751 1.00 3.97 H new ATOM 0 HD21 LEU A 37 11.312 48.624 -1.129 1.00 14.86 H new ATOM 0 HD22 LEU A 37 12.005 47.227 -1.407 1.00 14.86 H new ATOM 0 HD23 LEU A 37 12.758 48.572 -1.773 1.00 14.86 H new ATOM 267 N TYR A 38 15.035 47.686 -6.198 1.00 16.39 N ATOM 268 CA TYR A 38 15.928 46.890 -7.031 1.00 21.53 C ATOM 269 C TYR A 38 16.994 46.386 -6.053 1.00 14.97 C ATOM 270 O TYR A 38 17.560 47.202 -5.341 1.00 18.55 O ATOM 271 CB TYR A 38 16.662 47.760 -8.117 1.00 12.61 C ATOM 272 CG TYR A 38 17.626 46.938 -8.982 1.00 24.61 C ATOM 273 CD1 TYR A 38 18.971 46.790 -8.639 1.00 8.84 C ATOM 274 CD2 TYR A 38 17.186 46.290 -10.140 1.00 22.27 C ATOM 275 CE1 TYR A 38 19.842 46.026 -9.421 1.00 29.56 C ATOM 276 CE2 TYR A 38 18.038 45.518 -10.935 1.00 9.02 C ATOM 277 CZ TYR A 38 19.376 45.386 -10.570 1.00 12.10 C ATOM 278 OH TYR A 38 20.232 44.642 -11.341 1.00 27.25 O ATOM 0 H TYR A 38 14.946 48.507 -6.438 1.00 16.39 H new ATOM 0 HA TYR A 38 15.434 46.198 -7.498 1.00 21.53 H new ATOM 0 HB2 TYR A 38 16.001 48.183 -8.688 1.00 12.61 H new ATOM 0 HB3 TYR A 38 17.154 48.471 -7.678 1.00 12.61 H new ATOM 0 HD1 TYR A 38 19.294 47.209 -7.874 1.00 8.84 H new ATOM 0 HD2 TYR A 38 16.294 46.376 -10.390 1.00 22.27 H new ATOM 0 HE1 TYR A 38 20.735 45.944 -9.175 1.00 29.56 H new ATOM 0 HE2 TYR A 38 17.715 45.097 -11.699 1.00 9.02 H new ATOM 0 HH TYR A 38 19.813 44.319 -11.993 1.00 27.25 H new ATOM 279 N GLY A 39 17.273 45.075 -5.974 1.00 37.84 N ATOM 280 CA GLY A 39 18.319 44.535 -5.057 1.00 4.85 C ATOM 281 C GLY A 39 18.084 44.491 -3.528 1.00 16.59 C ATOM 282 O GLY A 39 19.032 44.305 -2.765 1.00 17.18 O ATOM 0 H GLY A 39 16.872 44.474 -6.441 1.00 37.84 H new ATOM 0 HA2 GLY A 39 18.508 43.628 -5.343 1.00 4.85 H new ATOM 0 HA3 GLY A 39 19.125 45.053 -5.207 1.00 4.85 H new ATOM 283 N VAL A 40 16.858 44.642 -3.092 1.00 24.85 N ATOM 284 CA VAL A 40 16.524 44.620 -1.690 1.00 13.81 C ATOM 285 C VAL A 40 16.813 43.273 -1.033 1.00 7.52 C ATOM 286 O VAL A 40 17.176 43.202 0.142 1.00 33.68 O ATOM 287 CB VAL A 40 15.091 45.096 -1.552 1.00 16.59 C ATOM 288 CG1 VAL A 40 14.129 44.111 -2.203 1.00 4.12 C ATOM 289 CG2 VAL A 40 14.727 45.329 -0.102 1.00 8.49 C ATOM 0 H VAL A 40 16.182 44.763 -3.610 1.00 24.85 H new ATOM 0 HA VAL A 40 17.098 45.226 -1.196 1.00 13.81 H new ATOM 0 HB VAL A 40 15.014 45.945 -2.015 1.00 16.59 H new ATOM 0 HG11 VAL A 40 13.219 44.433 -2.104 1.00 4.12 H new ATOM 0 HG12 VAL A 40 14.341 44.027 -3.146 1.00 4.12 H new ATOM 0 HG13 VAL A 40 14.213 43.245 -1.774 1.00 4.12 H new ATOM 0 HG21 VAL A 40 13.807 45.632 -0.044 1.00 8.49 H new ATOM 0 HG22 VAL A 40 14.826 44.501 0.394 1.00 8.49 H new ATOM 0 HG23 VAL A 40 15.314 46.003 0.275 1.00 8.49 H new ATOM 290 N VAL A 41 16.663 42.206 -1.807 1.00 23.56 N ATOM 291 CA VAL A 41 16.931 40.885 -1.286 1.00 27.68 C ATOM 292 C VAL A 41 18.430 40.717 -1.080 1.00 11.60 C ATOM 293 O VAL A 41 19.192 40.620 -2.032 1.00 41.05 O ATOM 294 CB VAL A 41 16.411 39.762 -2.187 1.00 17.11 C ATOM 295 CG1 VAL A 41 16.594 38.423 -1.488 1.00 20.47 C ATOM 296 CG2 VAL A 41 14.939 39.965 -2.519 1.00 10.68 C ATOM 0 H VAL A 41 16.409 42.229 -2.628 1.00 23.56 H new ATOM 0 HA VAL A 41 16.455 40.812 -0.444 1.00 27.68 H new ATOM 0 HB VAL A 41 16.916 39.775 -3.015 1.00 17.11 H new ATOM 0 HG11 VAL A 41 16.264 37.712 -2.059 1.00 20.47 H new ATOM 0 HG12 VAL A 41 17.536 38.280 -1.304 1.00 20.47 H new ATOM 0 HG13 VAL A 41 16.099 38.423 -0.654 1.00 20.47 H new ATOM 0 HG21 VAL A 41 14.633 39.243 -3.090 1.00 10.68 H new ATOM 0 HG22 VAL A 41 14.420 39.971 -1.699 1.00 10.68 H new ATOM 0 HG23 VAL A 41 14.825 40.811 -2.980 1.00 10.68 H new ATOM 297 N GLY A 42 18.871 40.686 0.145 1.00 20.03 N ATOM 298 CA GLY A 42 20.285 40.524 0.351 1.00 4.07 C ATOM 299 C GLY A 42 20.869 41.767 0.908 1.00 18.36 C ATOM 300 O GLY A 42 22.006 41.799 1.362 1.00 30.19 O ATOM 0 H GLY A 42 18.390 40.754 0.855 1.00 20.03 H new ATOM 0 HA2 GLY A 42 20.447 39.783 0.956 1.00 4.07 H new ATOM 0 HA3 GLY A 42 20.718 40.304 -0.489 1.00 4.07 H new ATOM 301 N ARG A 43 20.071 42.782 0.893 1.00 13.67 N ATOM 302 CA ARG A 43 20.480 44.043 1.388 1.00 26.48 C ATOM 303 C ARG A 43 20.151 44.250 2.856 1.00 22.41 C ATOM 304 O ARG A 43 19.081 43.876 3.329 1.00 16.64 O ATOM 305 CB ARG A 43 19.738 45.060 0.548 1.00 5.68 C ATOM 306 CG ARG A 43 20.105 46.501 0.829 1.00 17.70 C ATOM 307 CD ARG A 43 19.591 47.473 -0.234 1.00 6.96 C ATOM 308 NE ARG A 43 18.281 48.058 0.064 1.00 32.92 N ATOM 309 CZ ARG A 43 17.404 48.380 -0.884 1.00 28.43 C ATOM 310 NH1 ARG A 43 17.668 48.182 -2.171 1.00 27.69 N ATOM 311 NH2 ARG A 43 16.233 48.911 -0.542 1.00 28.10 N ATOM 0 H ARG A 43 19.266 42.759 0.591 1.00 13.67 H new ATOM 0 HA ARG A 43 21.445 44.123 1.328 1.00 26.48 H new ATOM 0 HB2 ARG A 43 19.907 44.873 -0.389 1.00 5.68 H new ATOM 0 HB3 ARG A 43 18.785 44.948 0.692 1.00 5.68 H new ATOM 0 HG2 ARG A 43 19.747 46.757 1.693 1.00 17.70 H new ATOM 0 HG3 ARG A 43 21.070 46.577 0.888 1.00 17.70 H new ATOM 0 HD2 ARG A 43 20.236 48.189 -0.341 1.00 6.96 H new ATOM 0 HD3 ARG A 43 19.540 47.008 -1.084 1.00 6.96 H new ATOM 0 HE ARG A 43 18.070 48.199 0.886 1.00 32.92 H new ATOM 0 HH11 ARG A 43 18.420 47.838 -2.408 1.00 27.69 H new ATOM 0 HH12 ARG A 43 17.087 48.397 -2.767 1.00 27.69 H new ATOM 0 HH21 ARG A 43 16.047 49.044 0.287 1.00 28.10 H new ATOM 0 HH22 ARG A 43 15.662 49.121 -1.150 1.00 28.10 H new ATOM 312 N THR A 44 21.066 44.880 3.567 1.00 4.62 N ATOM 313 CA THR A 44 20.856 45.176 4.956 1.00 14.00 C ATOM 314 C THR A 44 19.717 46.167 5.031 1.00 15.16 C ATOM 315 O THR A 44 19.698 47.158 4.304 1.00 18.89 O ATOM 316 CB THR A 44 22.103 45.859 5.500 1.00 12.05 C ATOM 317 OG1 THR A 44 23.220 45.008 5.363 1.00 24.77 O ATOM 318 CG2 THR A 44 21.902 46.241 6.956 1.00 6.68 C ATOM 0 H THR A 44 21.822 45.145 3.255 1.00 4.62 H new ATOM 0 HA THR A 44 20.666 44.369 5.460 1.00 14.00 H new ATOM 0 HB THR A 44 22.265 46.668 4.990 1.00 12.05 H new ATOM 0 HG1 THR A 44 23.911 45.407 5.626 1.00 24.77 H new ATOM 0 HG21 THR A 44 22.703 46.675 7.290 1.00 6.68 H new ATOM 0 HG22 THR A 44 21.150 46.849 7.030 1.00 6.68 H new ATOM 0 HG23 THR A 44 21.725 45.443 7.479 1.00 6.68 H new ATOM 319 N ALA A 45 18.781 45.904 5.903 1.00 12.59 N ATOM 320 CA ALA A 45 17.626 46.754 6.072 1.00 18.69 C ATOM 321 C ALA A 45 17.885 48.195 6.502 1.00 11.10 C ATOM 322 O ALA A 45 18.772 48.485 7.300 1.00 23.17 O ATOM 323 CB ALA A 45 16.665 46.099 7.037 1.00 24.56 C ATOM 0 H ALA A 45 18.793 45.219 6.423 1.00 12.59 H new ATOM 0 HA ALA A 45 17.255 46.840 5.180 1.00 18.69 H new ATOM 0 HB1 ALA A 45 15.887 46.666 7.154 1.00 24.56 H new ATOM 0 HB2 ALA A 45 16.388 45.239 6.684 1.00 24.56 H new ATOM 0 HB3 ALA A 45 17.103 45.971 7.893 1.00 24.56 H new ATOM 324 N GLY A 46 17.067 49.095 5.968 1.00 16.80 N ATOM 325 CA GLY A 46 17.165 50.503 6.285 1.00 18.11 C ATOM 326 C GLY A 46 18.516 51.108 5.960 1.00 12.62 C ATOM 327 O GLY A 46 19.078 51.853 6.759 1.00 29.04 O ATOM 0 H GLY A 46 16.441 48.901 5.412 1.00 16.80 H new ATOM 0 HA2 GLY A 46 16.478 50.985 5.798 1.00 18.11 H new ATOM 0 HA3 GLY A 46 16.983 50.627 7.230 1.00 18.11 H new ATOM 328 N THR A 47 19.038 50.793 4.778 1.00 30.57 N ATOM 329 CA THR A 47 20.323 51.331 4.382 1.00 18.07 C ATOM 330 C THR A 47 20.384 51.905 2.972 1.00 43.25 C ATOM 331 O THR A 47 21.452 52.325 2.566 1.00 11.91 O ATOM 332 CB THR A 47 21.511 50.351 4.544 1.00 1.88 C ATOM 333 OG1 THR A 47 21.480 49.363 3.535 1.00 19.42 O ATOM 334 CG2 THR A 47 21.511 49.686 5.907 1.00 19.12 C ATOM 0 H THR A 47 18.666 50.276 4.201 1.00 30.57 H new ATOM 0 HA THR A 47 20.416 52.059 5.017 1.00 18.07 H new ATOM 0 HB THR A 47 22.325 50.872 4.462 1.00 1.88 H new ATOM 0 HG1 THR A 47 20.968 48.739 3.769 1.00 19.42 H new ATOM 0 HG21 THR A 47 22.267 49.081 5.972 1.00 19.12 H new ATOM 0 HG22 THR A 47 21.579 50.364 6.598 1.00 19.12 H new ATOM 0 HG23 THR A 47 20.687 49.187 6.024 1.00 19.12 H new ATOM 335 N TYR A 48 19.305 51.933 2.201 1.00 16.11 N ATOM 336 CA TYR A 48 19.398 52.495 0.869 1.00 1.00 C ATOM 337 C TYR A 48 19.685 53.981 1.014 1.00 16.90 C ATOM 338 O TYR A 48 19.056 54.649 1.827 1.00 23.98 O ATOM 339 CB TYR A 48 18.083 52.283 0.142 1.00 11.90 C ATOM 340 CG TYR A 48 18.321 52.471 -1.299 1.00 10.14 C ATOM 341 CD1 TYR A 48 19.010 51.506 -2.023 1.00 10.47 C ATOM 342 CD2 TYR A 48 17.908 53.632 -1.951 1.00 7.43 C ATOM 343 CE1 TYR A 48 19.246 51.698 -3.382 1.00 7.20 C ATOM 344 CE2 TYR A 48 18.140 53.838 -3.308 1.00 13.91 C ATOM 345 CZ TYR A 48 18.814 52.857 -4.028 1.00 6.71 C ATOM 346 OH TYR A 48 19.062 53.033 -5.365 1.00 22.38 O ATOM 0 H TYR A 48 18.529 51.639 2.425 1.00 16.11 H new ATOM 0 HA TYR A 48 20.104 52.067 0.359 1.00 1.00 H new ATOM 0 HB2 TYR A 48 17.740 51.392 0.315 1.00 11.90 H new ATOM 0 HB3 TYR A 48 17.415 52.911 0.460 1.00 11.90 H new ATOM 0 HD1 TYR A 48 19.313 50.734 -1.601 1.00 10.47 H new ATOM 0 HD2 TYR A 48 17.464 54.289 -1.465 1.00 7.43 H new ATOM 0 HE1 TYR A 48 19.698 51.045 -3.866 1.00 7.20 H new ATOM 0 HE2 TYR A 48 17.850 54.617 -3.725 1.00 13.91 H new ATOM 0 HH TYR A 48 18.745 53.770 -5.614 1.00 22.38 H new ATOM 347 N PRO A 49 20.638 54.477 0.233 1.00 19.65 N ATOM 348 CA PRO A 49 21.078 55.849 0.235 1.00 12.77 C ATOM 349 C PRO A 49 20.066 56.854 -0.106 1.00 46.55 C ATOM 350 O PRO A 49 19.152 56.654 -0.910 1.00 8.81 O ATOM 351 CB PRO A 49 22.155 55.979 -0.828 1.00 5.36 C ATOM 352 CG PRO A 49 22.395 54.588 -1.381 1.00 7.42 C ATOM 353 CD PRO A 49 21.273 53.708 -0.852 1.00 19.44 C ATOM 0 HA PRO A 49 21.358 56.026 1.147 1.00 12.77 H new ATOM 0 HB2 PRO A 49 21.873 56.585 -1.531 1.00 5.36 H new ATOM 0 HB3 PRO A 49 22.970 56.344 -0.449 1.00 5.36 H new ATOM 0 HG2 PRO A 49 22.396 54.598 -2.351 1.00 7.42 H new ATOM 0 HG3 PRO A 49 23.260 54.250 -1.100 1.00 7.42 H new ATOM 0 HD2 PRO A 49 20.634 53.501 -1.552 1.00 19.44 H new ATOM 0 HD3 PRO A 49 21.619 52.863 -0.524 1.00 19.44 H new ATOM 354 N GLU A 50 20.297 57.969 0.530 1.00 14.64 N ATOM 355 CA GLU A 50 19.494 59.130 0.382 1.00 19.30 C ATOM 356 C GLU A 50 18.028 58.865 0.596 1.00 14.25 C ATOM 357 O GLU A 50 17.169 59.409 -0.100 1.00 30.99 O ATOM 358 CB GLU A 50 19.714 59.794 -0.975 1.00 7.45 C ATOM 359 CG GLU A 50 21.168 60.204 -1.239 1.00 11.99 C ATOM 360 CD GLU A 50 21.296 60.923 -2.546 1.00 39.90 C ATOM 361 OE1 GLU A 50 20.371 61.050 -3.327 1.00 21.59 O ATOM 362 OE2 GLU A 50 22.494 61.411 -2.744 1.00 19.87 O ATOM 0 H GLU A 50 20.951 58.070 1.079 1.00 14.64 H new ATOM 0 HA GLU A 50 19.781 59.738 1.081 1.00 19.30 H new ATOM 0 HB2 GLU A 50 19.427 59.185 -1.673 1.00 7.45 H new ATOM 0 HB3 GLU A 50 19.150 60.581 -1.035 1.00 7.45 H new ATOM 0 HG2 GLU A 50 21.482 60.775 -0.520 1.00 11.99 H new ATOM 0 HG3 GLU A 50 21.734 59.416 -1.243 1.00 11.99 H new ATOM 363 N PHE A 51 17.754 58.030 1.567 1.00 34.08 N ATOM 364 CA PHE A 51 16.406 57.703 1.903 1.00 17.83 C ATOM 365 C PHE A 51 16.185 57.934 3.413 1.00 21.36 C ATOM 366 O PHE A 51 16.932 57.395 4.214 1.00 28.27 O ATOM 367 CB PHE A 51 15.955 56.314 1.394 1.00 8.44 C ATOM 368 CG PHE A 51 14.489 56.305 1.585 1.00 15.58 C ATOM 369 CD1 PHE A 51 13.617 56.851 0.649 1.00 18.75 C ATOM 370 CD2 PHE A 51 13.967 55.794 2.774 1.00 26.09 C ATOM 371 CE1 PHE A 51 12.252 56.847 0.938 1.00 31.51 C ATOM 372 CE2 PHE A 51 12.608 55.778 3.077 1.00 9.88 C ATOM 373 CZ PHE A 51 11.745 56.312 2.129 1.00 7.32 C ATOM 0 H PHE A 51 18.349 57.638 2.049 1.00 34.08 H new ATOM 0 HA PHE A 51 15.815 58.305 1.424 1.00 17.83 H new ATOM 0 HB2 PHE A 51 16.190 56.187 0.462 1.00 8.44 H new ATOM 0 HB3 PHE A 51 16.380 55.600 1.894 1.00 8.44 H new ATOM 0 HD1 PHE A 51 13.935 57.209 -0.148 1.00 18.75 H new ATOM 0 HD2 PHE A 51 14.560 55.444 3.399 1.00 26.09 H new ATOM 0 HE1 PHE A 51 11.660 57.211 0.320 1.00 31.51 H new ATOM 0 HE2 PHE A 51 12.293 55.426 3.878 1.00 9.88 H new ATOM 0 HZ PHE A 51 10.828 56.314 2.285 1.00 7.32 H new ATOM 374 N LYS A 52 15.204 58.737 3.839 1.00 19.18 N ATOM 375 CA LYS A 52 15.030 58.936 5.279 1.00 10.59 C ATOM 376 C LYS A 52 14.069 57.906 5.840 1.00 14.04 C ATOM 377 O LYS A 52 12.863 58.090 5.741 1.00 19.70 O ATOM 378 CB LYS A 52 14.433 60.292 5.559 1.00 17.79 C ATOM 379 CG LYS A 52 15.425 61.432 5.598 1.00 32.50 C ATOM 380 CD LYS A 52 15.051 62.424 6.686 1.00 80.31 C ATOM 381 CE LYS A 52 15.852 63.713 6.691 1.00 95.51 C ATOM 382 NZ LYS A 52 15.557 64.552 7.867 1.00100.00 N ATOM 0 H LYS A 52 14.651 59.159 3.334 1.00 19.18 H new ATOM 0 HA LYS A 52 15.905 58.855 5.690 1.00 10.59 H new ATOM 0 HB2 LYS A 52 13.767 60.484 4.880 1.00 17.79 H new ATOM 0 HB3 LYS A 52 13.968 60.256 6.410 1.00 17.79 H new ATOM 0 HG2 LYS A 52 16.317 61.087 5.760 1.00 32.50 H new ATOM 0 HG3 LYS A 52 15.446 61.880 4.738 1.00 32.50 H new ATOM 0 HD2 LYS A 52 14.111 62.645 6.593 1.00 80.31 H new ATOM 0 HD3 LYS A 52 15.157 61.991 7.548 1.00 80.31 H new ATOM 0 HE2 LYS A 52 16.799 63.503 6.676 1.00 95.51 H new ATOM 0 HE3 LYS A 52 15.660 64.214 5.883 1.00 95.51 H new ATOM 0 HZ1 LYS A 52 16.045 65.295 7.832 1.00100.00 H new ATOM 0 HZ2 LYS A 52 14.693 64.765 7.871 1.00100.00 H new ATOM 0 HZ3 LYS A 52 15.754 64.103 8.610 1.00100.00 H new ATOM 383 N TYR A 53 14.582 56.829 6.427 1.00 13.01 N ATOM 384 CA TYR A 53 13.759 55.768 7.013 1.00 33.65 C ATOM 385 C TYR A 53 13.360 56.133 8.451 1.00 25.94 C ATOM 386 O TYR A 53 13.948 57.038 9.041 1.00 21.11 O ATOM 387 CB TYR A 53 14.626 54.490 7.167 1.00 21.72 C ATOM 388 CG TYR A 53 15.104 53.789 5.909 1.00 9.98 C ATOM 389 CD1 TYR A 53 16.265 54.171 5.234 1.00 6.30 C ATOM 390 CD2 TYR A 53 14.386 52.709 5.397 1.00 15.43 C ATOM 391 CE1 TYR A 53 16.702 53.510 4.082 1.00 14.05 C ATOM 392 CE2 TYR A 53 14.802 52.035 4.248 1.00 6.53 C ATOM 393 CZ TYR A 53 15.963 52.436 3.589 1.00 25.19 C ATOM 394 OH TYR A 53 16.375 51.778 2.459 1.00 18.63 O ATOM 0 H TYR A 53 15.428 56.690 6.498 1.00 13.01 H new ATOM 0 HA TYR A 53 12.985 55.644 6.442 1.00 33.65 H new ATOM 0 HB2 TYR A 53 15.408 54.725 7.690 1.00 21.72 H new ATOM 0 HB3 TYR A 53 14.118 53.849 7.688 1.00 21.72 H new ATOM 0 HD1 TYR A 53 16.762 54.886 5.560 1.00 6.30 H new ATOM 0 HD2 TYR A 53 13.612 52.431 5.831 1.00 15.43 H new ATOM 0 HE1 TYR A 53 17.478 53.784 3.649 1.00 14.05 H new ATOM 0 HE2 TYR A 53 14.305 51.319 3.922 1.00 6.53 H new ATOM 0 HH TYR A 53 16.063 50.998 2.459 1.00 18.63 H new ATOM 395 N LYS A 54 12.364 55.396 9.010 1.00 28.82 N ATOM 396 CA LYS A 54 11.909 55.574 10.377 1.00 18.23 C ATOM 397 C LYS A 54 12.975 54.855 11.159 1.00 30.02 C ATOM 398 O LYS A 54 13.718 54.068 10.585 1.00 26.91 O ATOM 399 CB LYS A 54 10.462 55.138 10.632 1.00 10.62 C ATOM 400 CG LYS A 54 9.551 56.356 10.463 1.00 30.53 C ATOM 401 CD LYS A 54 8.122 56.208 10.981 1.00 67.61 C ATOM 402 CE LYS A 54 7.306 57.496 10.825 1.00 91.25 C ATOM 403 NZ LYS A 54 5.887 57.345 11.190 1.00100.00 N ATOM 0 H LYS A 54 11.943 54.778 8.585 1.00 28.82 H new ATOM 0 HA LYS A 54 11.828 56.503 10.645 1.00 18.23 H new ATOM 0 HB2 LYS A 54 10.207 54.437 10.012 1.00 10.62 H new ATOM 0 HB3 LYS A 54 10.373 54.772 11.526 1.00 10.62 H new ATOM 0 HG2 LYS A 54 9.962 57.109 10.915 1.00 30.53 H new ATOM 0 HG3 LYS A 54 9.512 56.578 9.520 1.00 30.53 H new ATOM 0 HD2 LYS A 54 7.680 55.489 10.503 1.00 67.61 H new ATOM 0 HD3 LYS A 54 8.145 55.954 11.917 1.00 67.61 H new ATOM 0 HE2 LYS A 54 7.702 58.189 11.376 1.00 91.25 H new ATOM 0 HE3 LYS A 54 7.365 57.797 9.905 1.00 91.25 H new ATOM 0 HZ1 LYS A 54 5.467 58.122 11.079 1.00100.00 H new ATOM 0 HZ2 LYS A 54 5.511 56.728 10.670 1.00100.00 H new ATOM 0 HZ3 LYS A 54 5.824 57.093 12.041 1.00100.00 H new ATOM 404 N ASP A 55 13.109 55.107 12.392 1.00 18.35 N ATOM 405 CA ASP A 55 14.147 54.497 13.167 1.00 37.72 C ATOM 406 C ASP A 55 14.285 52.990 13.295 1.00 16.31 C ATOM 407 O ASP A 55 15.371 52.412 13.151 1.00 29.62 O ATOM 408 CB ASP A 55 13.924 55.043 14.522 1.00 40.80 C ATOM 409 CG ASP A 55 15.065 55.862 14.874 1.00100.00 C ATOM 410 OD1 ASP A 55 15.311 56.191 16.022 1.00100.00 O ATOM 411 OD2 ASP A 55 15.789 56.177 13.827 1.00100.00 O ATOM 0 H ASP A 55 12.602 55.644 12.833 1.00 18.35 H new ATOM 0 HA ASP A 55 14.965 54.702 12.688 1.00 37.72 H new ATOM 0 HB2 ASP A 55 13.110 55.570 14.545 1.00 40.80 H new ATOM 0 HB3 ASP A 55 13.814 54.323 15.163 1.00 40.80 H new ATOM 412 N SER A 56 13.183 52.382 13.624 1.00 21.29 N ATOM 413 CA SER A 56 13.142 50.970 13.839 1.00 12.16 C ATOM 414 C SER A 56 13.763 50.152 12.734 1.00 16.05 C ATOM 415 O SER A 56 14.609 49.295 12.988 1.00 16.67 O ATOM 416 CB SER A 56 11.745 50.516 14.188 1.00 33.71 C ATOM 417 OG SER A 56 11.154 51.445 15.079 1.00 36.92 O ATOM 0 H SER A 56 12.428 52.780 13.731 1.00 21.29 H new ATOM 0 HA SER A 56 13.712 50.799 14.605 1.00 12.16 H new ATOM 0 HB2 SER A 56 11.209 50.439 13.383 1.00 33.71 H new ATOM 0 HB3 SER A 56 11.773 49.636 14.595 1.00 33.71 H new ATOM 0 HG SER A 56 11.322 51.220 15.871 1.00 36.92 H new ATOM 418 N ILE A 57 13.358 50.396 11.509 1.00 12.54 N ATOM 419 CA ILE A 57 13.933 49.629 10.451 1.00 25.53 C ATOM 420 C ILE A 57 15.427 49.866 10.326 1.00 23.09 C ATOM 421 O ILE A 57 16.161 48.964 9.955 1.00 24.61 O ATOM 422 CB ILE A 57 13.227 49.831 9.153 1.00 16.06 C ATOM 423 CG1 ILE A 57 13.601 48.730 8.196 1.00 11.62 C ATOM 424 CG2 ILE A 57 13.583 51.194 8.570 1.00 5.14 C ATOM 425 CD1 ILE A 57 12.851 48.883 6.890 1.00 16.87 C ATOM 0 H ILE A 57 12.772 50.981 11.279 1.00 12.54 H new ATOM 0 HA ILE A 57 13.811 48.697 10.689 1.00 25.53 H new ATOM 0 HB ILE A 57 12.269 49.803 9.301 1.00 16.06 H new ATOM 0 HG12 ILE A 57 14.557 48.749 8.030 1.00 11.62 H new ATOM 0 HG13 ILE A 57 13.399 47.868 8.592 1.00 11.62 H new ATOM 0 HG21 ILE A 57 13.120 51.316 7.727 1.00 5.14 H new ATOM 0 HG22 ILE A 57 13.316 51.891 9.189 1.00 5.14 H new ATOM 0 HG23 ILE A 57 14.540 51.243 8.422 1.00 5.14 H new ATOM 0 HD11 ILE A 57 13.103 48.167 6.286 1.00 16.87 H new ATOM 0 HD12 ILE A 57 11.897 48.843 7.058 1.00 16.87 H new ATOM 0 HD13 ILE A 57 13.072 49.738 6.488 1.00 16.87 H new ATOM 426 N VAL A 58 15.893 51.081 10.639 1.00 22.73 N ATOM 427 CA VAL A 58 17.322 51.376 10.566 1.00 41.57 C ATOM 428 C VAL A 58 18.086 50.530 11.660 1.00 26.65 C ATOM 429 O VAL A 58 19.199 50.057 11.429 1.00 23.99 O ATOM 430 CB VAL A 58 17.586 52.881 10.707 1.00 8.35 C ATOM 431 CG1 VAL A 58 19.031 53.096 11.109 1.00 11.09 C ATOM 432 CG2 VAL A 58 17.286 53.621 9.403 1.00 13.87 C ATOM 0 H VAL A 58 15.401 51.739 10.893 1.00 22.73 H new ATOM 0 HA VAL A 58 17.659 51.121 9.693 1.00 41.57 H new ATOM 0 HB VAL A 58 16.997 53.238 11.390 1.00 8.35 H new ATOM 0 HG11 VAL A 58 19.204 54.046 11.200 1.00 11.09 H new ATOM 0 HG12 VAL A 58 19.201 52.655 11.956 1.00 11.09 H new ATOM 0 HG13 VAL A 58 19.615 52.725 10.429 1.00 11.09 H new ATOM 0 HG21 VAL A 58 17.461 54.568 9.520 1.00 13.87 H new ATOM 0 HG22 VAL A 58 17.852 53.273 8.696 1.00 13.87 H new ATOM 0 HG23 VAL A 58 16.355 53.492 9.164 1.00 13.87 H new ATOM 433 N ALA A 59 17.425 50.347 12.864 1.00 14.27 N ATOM 434 CA ALA A 59 17.922 49.582 14.057 1.00 16.75 C ATOM 435 C ALA A 59 18.016 48.082 13.740 1.00 33.99 C ATOM 436 O ALA A 59 18.930 47.365 14.174 1.00 35.34 O ATOM 437 CB ALA A 59 17.056 49.854 15.292 1.00 8.80 C ATOM 0 H ALA A 59 16.645 50.683 13.000 1.00 14.27 H new ATOM 0 HA ALA A 59 18.817 49.893 14.266 1.00 16.75 H new ATOM 0 HB1 ALA A 59 17.399 49.348 16.046 1.00 8.80 H new ATOM 0 HB2 ALA A 59 17.079 50.801 15.501 1.00 8.80 H new ATOM 0 HB3 ALA A 59 16.142 49.585 15.112 1.00 8.80 H new ATOM 438 N LEU A 60 17.053 47.635 12.955 1.00 8.97 N ATOM 439 CA LEU A 60 16.999 46.270 12.529 1.00 16.26 C ATOM 440 C LEU A 60 18.230 45.996 11.669 1.00 18.57 C ATOM 441 O LEU A 60 18.907 44.999 11.854 1.00 22.41 O ATOM 442 CB LEU A 60 15.679 46.014 11.775 1.00 10.59 C ATOM 443 CG LEU A 60 15.509 44.590 11.264 1.00 22.89 C ATOM 444 CD1 LEU A 60 15.612 43.571 12.393 1.00 17.05 C ATOM 445 CD2 LEU A 60 14.191 44.438 10.513 1.00 16.29 C ATOM 0 H LEU A 60 16.412 48.125 12.657 1.00 8.97 H new ATOM 0 HA LEU A 60 17.011 45.661 13.284 1.00 16.26 H new ATOM 0 HB2 LEU A 60 14.937 46.225 12.364 1.00 10.59 H new ATOM 0 HB3 LEU A 60 15.626 46.624 11.023 1.00 10.59 H new ATOM 0 HG LEU A 60 16.235 44.413 10.646 1.00 22.89 H new ATOM 0 HD11 LEU A 60 15.499 42.677 12.034 1.00 17.05 H new ATOM 0 HD12 LEU A 60 16.482 43.642 12.815 1.00 17.05 H new ATOM 0 HD13 LEU A 60 14.920 43.744 13.050 1.00 17.05 H new ATOM 0 HD21 LEU A 60 14.102 43.525 10.196 1.00 16.29 H new ATOM 0 HD22 LEU A 60 13.454 44.647 11.108 1.00 16.29 H new ATOM 0 HD23 LEU A 60 14.177 45.045 9.757 1.00 16.29 H new ATOM 446 N GLY A 61 18.537 46.888 10.730 1.00 15.80 N ATOM 447 CA GLY A 61 19.706 46.685 9.896 1.00 11.12 C ATOM 448 C GLY A 61 20.984 46.863 10.710 1.00 22.44 C ATOM 449 O GLY A 61 21.976 46.167 10.500 1.00 15.95 O ATOM 0 H GLY A 61 18.088 47.603 10.565 1.00 15.80 H new ATOM 0 HA2 GLY A 61 19.684 45.795 9.510 1.00 11.12 H new ATOM 0 HA3 GLY A 61 19.696 47.315 9.158 1.00 11.12 H new ATOM 450 N ALA A 62 20.963 47.805 11.648 1.00 14.58 N ATOM 451 CA ALA A 62 22.142 48.008 12.449 1.00 8.72 C ATOM 452 C ALA A 62 22.434 46.759 13.252 1.00 21.21 C ATOM 453 O ALA A 62 23.547 46.548 13.714 1.00 26.08 O ATOM 454 CB ALA A 62 22.038 49.239 13.330 1.00 2.02 C ATOM 0 H ALA A 62 20.296 48.317 11.826 1.00 14.58 H new ATOM 0 HA ALA A 62 22.889 48.175 11.853 1.00 8.72 H new ATOM 0 HB1 ALA A 62 22.852 49.335 13.849 1.00 2.02 H new ATOM 0 HB2 ALA A 62 21.914 50.025 12.775 1.00 2.02 H new ATOM 0 HB3 ALA A 62 21.281 49.145 13.930 1.00 2.02 H new ATOM 455 N SER A 63 21.442 45.913 13.418 1.00 20.50 N ATOM 456 CA SER A 63 21.674 44.699 14.169 1.00 46.47 C ATOM 457 C SER A 63 22.303 43.623 13.287 1.00 11.96 C ATOM 458 O SER A 63 22.605 42.518 13.735 1.00 44.44 O ATOM 459 CB SER A 63 20.371 44.176 14.724 1.00 12.85 C ATOM 460 OG SER A 63 19.362 44.303 13.740 1.00 63.97 O ATOM 0 H SER A 63 20.644 46.016 13.113 1.00 20.50 H new ATOM 0 HA SER A 63 22.282 44.910 14.895 1.00 46.47 H new ATOM 0 HB2 SER A 63 20.468 43.247 14.985 1.00 12.85 H new ATOM 0 HB3 SER A 63 20.125 44.671 15.521 1.00 12.85 H new ATOM 0 HG SER A 63 19.716 44.355 12.980 1.00 63.97 H new ATOM 461 N GLY A 64 22.479 43.936 12.022 1.00 37.33 N ATOM 462 CA GLY A 64 23.062 42.978 11.114 1.00 19.03 C ATOM 463 C GLY A 64 22.064 42.347 10.126 1.00 31.86 C ATOM 464 O GLY A 64 22.462 41.531 9.312 1.00 44.77 O ATOM 0 H GLY A 64 22.269 44.692 11.670 1.00 37.33 H new ATOM 0 HA2 GLY A 64 23.767 43.414 10.610 1.00 19.03 H new ATOM 0 HA3 GLY A 64 23.479 42.271 11.631 1.00 19.03 H new ATOM 465 N PHE A 65 20.779 42.720 10.173 1.00 26.10 N ATOM 466 CA PHE A 65 19.743 42.159 9.280 1.00 21.86 C ATOM 467 C PHE A 65 19.735 42.594 7.788 1.00 20.05 C ATOM 468 O PHE A 65 19.820 43.772 7.454 1.00 15.00 O ATOM 469 CB PHE A 65 18.388 42.369 9.971 1.00 25.51 C ATOM 470 CG PHE A 65 17.194 41.770 9.301 1.00 27.33 C ATOM 471 CD1 PHE A 65 16.751 40.481 9.604 1.00 16.67 C ATOM 472 CD2 PHE A 65 16.491 42.539 8.377 1.00 21.75 C ATOM 473 CE1 PHE A 65 15.625 39.956 8.973 1.00 59.22 C ATOM 474 CE2 PHE A 65 15.366 42.034 7.735 1.00 38.35 C ATOM 475 CZ PHE A 65 14.941 40.741 8.042 1.00 17.34 C ATOM 0 H PHE A 65 20.479 43.308 10.725 1.00 26.10 H new ATOM 0 HA PHE A 65 19.963 41.221 9.169 1.00 21.86 H new ATOM 0 HB2 PHE A 65 18.446 42.005 10.868 1.00 25.51 H new ATOM 0 HB3 PHE A 65 18.238 43.323 10.061 1.00 25.51 H new ATOM 0 HD1 PHE A 65 17.210 39.970 10.231 1.00 16.67 H new ATOM 0 HD2 PHE A 65 16.778 43.403 8.187 1.00 21.75 H new ATOM 0 HE1 PHE A 65 15.333 39.095 9.169 1.00 59.22 H new ATOM 0 HE2 PHE A 65 14.905 42.549 7.112 1.00 38.35 H new ATOM 0 HZ PHE A 65 14.188 40.395 7.619 1.00 17.34 H new ATOM 476 N ALA A 66 19.624 41.577 6.917 1.00 11.49 N ATOM 477 CA ALA A 66 19.558 41.690 5.476 1.00 14.04 C ATOM 478 C ALA A 66 18.325 40.962 5.124 1.00 29.09 C ATOM 479 O ALA A 66 17.978 39.950 5.739 1.00 17.55 O ATOM 480 CB ALA A 66 20.755 41.066 4.774 1.00 13.68 C ATOM 0 H ALA A 66 19.584 40.760 7.181 1.00 11.49 H new ATOM 0 HA ALA A 66 19.562 42.619 5.196 1.00 14.04 H new ATOM 0 HB1 ALA A 66 20.658 41.170 3.814 1.00 13.68 H new ATOM 0 HB2 ALA A 66 21.568 41.507 5.066 1.00 13.68 H new ATOM 0 HB3 ALA A 66 20.803 40.122 4.993 1.00 13.68 H new ATOM 481 N TRP A 67 17.658 41.469 4.165 1.00 14.96 N ATOM 482 CA TRP A 67 16.439 40.855 3.776 1.00 4.88 C ATOM 483 C TRP A 67 16.543 39.594 2.959 1.00 25.10 C ATOM 484 O TRP A 67 17.462 39.415 2.167 1.00 32.40 O ATOM 485 CB TRP A 67 15.704 41.798 2.893 1.00 15.96 C ATOM 486 CG TRP A 67 15.128 42.950 3.583 1.00 29.61 C ATOM 487 CD1 TRP A 67 15.540 44.219 3.450 1.00 13.30 C ATOM 488 CD2 TRP A 67 14.015 42.970 4.477 1.00 28.43 C ATOM 489 NE1 TRP A 67 14.767 45.045 4.206 1.00 14.47 N ATOM 490 CE2 TRP A 67 13.815 44.314 4.849 1.00 21.76 C ATOM 491 CE3 TRP A 67 13.175 42.007 4.993 1.00 2.02 C ATOM 492 CZ2 TRP A 67 12.806 44.716 5.729 1.00 3.59 C ATOM 493 CZ3 TRP A 67 12.176 42.401 5.862 1.00 32.72 C ATOM 494 CH2 TRP A 67 11.992 43.740 6.225 1.00 18.84 C ATOM 0 H TRP A 67 17.883 42.168 3.718 1.00 14.96 H new ATOM 0 HA TRP A 67 16.015 40.630 4.619 1.00 4.88 H new ATOM 0 HB2 TRP A 67 16.309 42.117 2.205 1.00 15.96 H new ATOM 0 HB3 TRP A 67 14.992 41.315 2.444 1.00 15.96 H new ATOM 0 HD1 TRP A 67 16.251 44.495 2.918 1.00 13.30 H new ATOM 0 HE1 TRP A 67 14.865 45.897 4.268 1.00 14.47 H new ATOM 0 HE3 TRP A 67 13.278 41.112 4.761 1.00 2.02 H new ATOM 0 HZ2 TRP A 67 12.695 45.608 5.966 1.00 3.59 H new ATOM 0 HZ3 TRP A 67 11.608 41.756 6.217 1.00 32.72 H new ATOM 0 HH2 TRP A 67 11.307 43.967 6.811 1.00 18.84 H new ATOM 495 N THR A 68 15.539 38.733 3.146 1.00 14.90 N ATOM 496 CA THR A 68 15.416 37.477 2.429 1.00 12.72 C ATOM 497 C THR A 68 14.069 37.419 1.827 1.00 26.33 C ATOM 498 O THR A 68 13.181 38.209 2.164 1.00 18.89 O ATOM 499 CB THR A 68 15.583 36.223 3.285 1.00 44.13 C ATOM 500 OG1 THR A 68 14.527 36.145 4.222 1.00 31.06 O ATOM 501 CG2 THR A 68 16.925 36.261 3.995 1.00 9.70 C ATOM 0 H THR A 68 14.901 38.872 3.706 1.00 14.90 H new ATOM 0 HA THR A 68 16.137 37.472 1.780 1.00 12.72 H new ATOM 0 HB THR A 68 15.556 35.436 2.718 1.00 44.13 H new ATOM 0 HG1 THR A 68 14.837 36.214 5.000 1.00 31.06 H new ATOM 0 HG21 THR A 68 17.027 35.463 4.537 1.00 9.70 H new ATOM 0 HG22 THR A 68 17.638 36.298 3.338 1.00 9.70 H new ATOM 0 HG23 THR A 68 16.968 37.046 4.564 1.00 9.70 H new ATOM 502 N GLU A 69 13.879 36.487 0.942 1.00 19.67 N ATOM 503 CA GLU A 69 12.571 36.476 0.401 1.00 26.79 C ATOM 504 C GLU A 69 11.580 36.147 1.435 1.00 13.96 C ATOM 505 O GLU A 69 10.458 36.635 1.421 1.00 39.49 O ATOM 506 CB GLU A 69 12.336 35.509 -0.735 1.00 29.34 C ATOM 507 CG GLU A 69 13.355 35.620 -1.830 1.00 37.75 C ATOM 508 CD GLU A 69 13.038 34.646 -2.894 1.00 35.05 C ATOM 509 OE1 GLU A 69 11.998 34.000 -2.935 1.00 38.67 O ATOM 510 OE2 GLU A 69 13.990 34.567 -3.786 1.00 66.86 O ATOM 0 H GLU A 69 14.441 35.899 0.661 1.00 19.67 H new ATOM 0 HA GLU A 69 12.472 37.375 0.051 1.00 26.79 H new ATOM 0 HB2 GLU A 69 12.342 34.604 -0.387 1.00 29.34 H new ATOM 0 HB3 GLU A 69 11.453 35.664 -1.106 1.00 29.34 H new ATOM 0 HG2 GLU A 69 13.359 36.520 -2.192 1.00 37.75 H new ATOM 0 HG3 GLU A 69 14.243 35.452 -1.478 1.00 37.75 H new ATOM 511 N GLU A 70 11.977 35.302 2.320 1.00 32.66 N ATOM 512 CA GLU A 70 11.103 34.882 3.353 1.00 19.41 C ATOM 513 C GLU A 70 10.663 35.999 4.277 1.00 16.26 C ATOM 514 O GLU A 70 9.483 36.145 4.580 1.00 25.50 O ATOM 515 CB GLU A 70 11.805 33.752 4.104 1.00 37.89 C ATOM 516 CG GLU A 70 10.874 32.860 4.934 1.00100.00 C ATOM 517 CD GLU A 70 10.836 33.226 6.409 1.00100.00 C ATOM 518 OE1 GLU A 70 11.836 33.318 7.107 1.00100.00 O ATOM 519 OE2 GLU A 70 9.630 33.505 6.827 1.00100.00 O ATOM 0 H GLU A 70 12.762 34.952 2.343 1.00 32.66 H new ATOM 0 HA GLU A 70 10.273 34.571 2.960 1.00 19.41 H new ATOM 0 HB2 GLU A 70 12.277 33.198 3.463 1.00 37.89 H new ATOM 0 HB3 GLU A 70 12.473 34.137 4.692 1.00 37.89 H new ATOM 0 HG2 GLU A 70 9.976 32.916 4.571 1.00100.00 H new ATOM 0 HG3 GLU A 70 11.158 31.937 4.845 1.00100.00 H new ATOM 520 N ASP A 71 11.597 36.785 4.734 1.00 16.86 N ATOM 521 CA ASP A 71 11.225 37.856 5.608 1.00 13.41 C ATOM 522 C ASP A 71 10.480 38.908 4.830 1.00 19.24 C ATOM 523 O ASP A 71 9.514 39.514 5.304 1.00 26.49 O ATOM 524 CB ASP A 71 12.469 38.477 6.215 1.00 73.64 C ATOM 525 CG ASP A 71 13.505 37.475 6.618 1.00 44.12 C ATOM 526 OD1 ASP A 71 14.631 37.451 6.149 1.00 65.51 O ATOM 527 OD2 ASP A 71 13.116 36.747 7.633 1.00 47.32 O ATOM 0 H ASP A 71 12.436 36.720 4.556 1.00 16.86 H new ATOM 0 HA ASP A 71 10.658 37.507 6.313 1.00 13.41 H new ATOM 0 HB2 ASP A 71 12.858 39.094 5.575 1.00 73.64 H new ATOM 0 HB3 ASP A 71 12.214 38.998 6.993 1.00 73.64 H new ATOM 528 N ILE A 72 10.934 39.141 3.616 1.00 20.50 N ATOM 529 CA ILE A 72 10.234 40.128 2.858 1.00 26.24 C ATOM 530 C ILE A 72 8.746 39.767 2.816 1.00 13.25 C ATOM 531 O ILE A 72 7.893 40.595 3.121 1.00 32.55 O ATOM 532 CB ILE A 72 10.756 40.287 1.465 1.00 33.93 C ATOM 533 CG1 ILE A 72 12.023 41.102 1.552 1.00 22.64 C ATOM 534 CG2 ILE A 72 9.716 41.057 0.659 1.00 19.45 C ATOM 535 CD1 ILE A 72 12.938 40.903 0.359 1.00 17.98 C ATOM 0 H ILE A 72 11.605 38.761 3.236 1.00 20.50 H new ATOM 0 HA ILE A 72 10.371 40.980 3.302 1.00 26.24 H new ATOM 0 HB ILE A 72 10.931 39.430 1.045 1.00 33.93 H new ATOM 0 HG12 ILE A 72 11.793 42.042 1.624 1.00 22.64 H new ATOM 0 HG13 ILE A 72 12.500 40.864 2.362 1.00 22.64 H new ATOM 0 HG21 ILE A 72 10.032 41.173 -0.251 1.00 19.45 H new ATOM 0 HG22 ILE A 72 8.882 40.562 0.650 1.00 19.45 H new ATOM 0 HG23 ILE A 72 9.571 41.926 1.064 1.00 19.45 H new ATOM 0 HD11 ILE A 72 13.733 41.448 0.467 1.00 17.98 H new ATOM 0 HD12 ILE A 72 13.192 39.969 0.298 1.00 17.98 H new ATOM 0 HD13 ILE A 72 12.474 41.165 -0.452 1.00 17.98 H new ATOM 536 N ALA A 73 8.461 38.492 2.438 1.00 21.51 N ATOM 537 CA ALA A 73 7.115 37.921 2.342 1.00 34.80 C ATOM 538 C ALA A 73 6.338 38.167 3.626 1.00 11.65 C ATOM 539 O ALA A 73 5.165 38.515 3.583 1.00 51.09 O ATOM 540 CB ALA A 73 7.183 36.432 2.016 1.00 20.06 C ATOM 0 H ALA A 73 9.076 37.929 2.227 1.00 21.51 H new ATOM 0 HA ALA A 73 6.644 38.363 1.618 1.00 34.80 H new ATOM 0 HB1 ALA A 73 6.284 36.072 1.957 1.00 20.06 H new ATOM 0 HB2 ALA A 73 7.638 36.307 1.168 1.00 20.06 H new ATOM 0 HB3 ALA A 73 7.670 35.969 2.715 1.00 20.06 H new ATOM 541 N THR A 74 7.000 38.004 4.784 1.00 35.14 N ATOM 542 CA THR A 74 6.345 38.228 6.087 1.00 15.59 C ATOM 543 C THR A 74 6.154 39.700 6.420 1.00 27.96 C ATOM 544 O THR A 74 5.061 40.139 6.752 1.00 29.56 O ATOM 545 CB THR A 74 7.097 37.569 7.258 1.00 37.73 C ATOM 546 OG1 THR A 74 7.326 36.212 6.972 1.00 34.24 O ATOM 547 CG2 THR A 74 6.320 37.707 8.573 1.00 25.12 C ATOM 0 H THR A 74 7.825 37.765 4.837 1.00 35.14 H new ATOM 0 HA THR A 74 5.476 37.810 5.983 1.00 15.59 H new ATOM 0 HB THR A 74 7.946 38.026 7.367 1.00 37.73 H new ATOM 0 HG1 THR A 74 7.895 36.147 6.358 1.00 34.24 H new ATOM 0 HG21 THR A 74 6.818 37.283 9.289 1.00 25.12 H new ATOM 0 HG22 THR A 74 6.195 38.647 8.778 1.00 25.12 H new ATOM 0 HG23 THR A 74 5.454 37.278 8.484 1.00 25.12 H new ATOM 548 N TYR A 75 7.209 40.462 6.357 1.00 22.82 N ATOM 549 CA TYR A 75 7.119 41.867 6.659 1.00 12.82 C ATOM 550 C TYR A 75 5.980 42.546 5.927 1.00 8.37 C ATOM 551 O TYR A 75 5.200 43.304 6.499 1.00 25.90 O ATOM 552 CB TYR A 75 8.433 42.462 6.203 1.00 15.69 C ATOM 553 CG TYR A 75 8.513 43.948 6.069 1.00 12.06 C ATOM 554 CD1 TYR A 75 8.717 44.750 7.197 1.00 28.05 C ATOM 555 CD2 TYR A 75 8.443 44.544 4.813 1.00 5.90 C ATOM 556 CE1 TYR A 75 8.828 46.136 7.123 1.00 13.44 C ATOM 557 CE2 TYR A 75 8.550 45.929 4.726 1.00 15.84 C ATOM 558 CZ TYR A 75 8.741 46.720 5.863 1.00 11.27 C ATOM 559 OH TYR A 75 8.840 48.080 5.735 1.00 18.22 O ATOM 0 H TYR A 75 7.995 40.188 6.140 1.00 22.82 H new ATOM 0 HA TYR A 75 6.949 41.995 7.605 1.00 12.82 H new ATOM 0 HB2 TYR A 75 9.120 42.181 6.827 1.00 15.69 H new ATOM 0 HB3 TYR A 75 8.655 42.072 5.343 1.00 15.69 H new ATOM 0 HD1 TYR A 75 8.781 44.341 8.030 1.00 28.05 H new ATOM 0 HD2 TYR A 75 8.327 44.028 4.048 1.00 5.90 H new ATOM 0 HE1 TYR A 75 8.955 46.652 7.886 1.00 13.44 H new ATOM 0 HE2 TYR A 75 8.493 46.338 3.893 1.00 15.84 H new ATOM 0 HH TYR A 75 8.757 48.439 6.490 1.00 18.22 H new ATOM 560 N VAL A 76 5.912 42.264 4.649 1.00 23.41 N ATOM 561 CA VAL A 76 4.920 42.823 3.771 1.00 33.16 C ATOM 562 C VAL A 76 3.461 42.714 4.240 1.00 15.71 C ATOM 563 O VAL A 76 2.668 43.632 4.042 1.00 29.08 O ATOM 564 CB VAL A 76 5.253 42.483 2.316 1.00 19.86 C ATOM 565 CG1 VAL A 76 4.034 42.323 1.421 1.00 37.37 C ATOM 566 CG2 VAL A 76 6.130 43.584 1.758 1.00 13.49 C ATOM 0 H VAL A 76 6.457 41.727 4.256 1.00 23.41 H new ATOM 0 HA VAL A 76 4.980 43.790 3.820 1.00 33.16 H new ATOM 0 HB VAL A 76 5.701 41.623 2.323 1.00 19.86 H new ATOM 0 HG11 VAL A 76 4.320 42.110 0.519 1.00 37.37 H new ATOM 0 HG12 VAL A 76 3.475 41.607 1.760 1.00 37.37 H new ATOM 0 HG13 VAL A 76 3.528 43.151 1.412 1.00 37.37 H new ATOM 0 HG21 VAL A 76 6.351 43.385 0.835 1.00 13.49 H new ATOM 0 HG22 VAL A 76 5.656 44.429 1.801 1.00 13.49 H new ATOM 0 HG23 VAL A 76 6.945 43.644 2.280 1.00 13.49 H new ATOM 567 N LYS A 77 3.131 41.594 4.880 1.00 19.66 N ATOM 568 CA LYS A 77 1.804 41.316 5.409 1.00 20.72 C ATOM 569 C LYS A 77 1.438 42.248 6.587 1.00 26.50 C ATOM 570 O LYS A 77 0.280 42.617 6.748 1.00 24.53 O ATOM 571 CB LYS A 77 1.752 39.879 5.905 1.00 25.31 C ATOM 572 CG LYS A 77 1.574 38.821 4.822 1.00 94.21 C ATOM 573 CD LYS A 77 1.643 37.399 5.404 1.00 61.75 C ATOM 574 CE LYS A 77 2.053 36.287 4.414 1.00100.00 C ATOM 575 NZ LYS A 77 3.139 35.388 4.886 1.00100.00 N ATOM 0 H LYS A 77 3.692 40.958 5.021 1.00 19.66 H new ATOM 0 HA LYS A 77 1.169 41.465 4.691 1.00 20.72 H new ATOM 0 HB2 LYS A 77 2.571 39.690 6.389 1.00 25.31 H new ATOM 0 HB3 LYS A 77 1.022 39.798 6.539 1.00 25.31 H new ATOM 0 HG2 LYS A 77 0.720 38.950 4.380 1.00 94.21 H new ATOM 0 HG3 LYS A 77 2.262 38.929 4.147 1.00 94.21 H new ATOM 0 HD2 LYS A 77 2.273 37.400 6.142 1.00 61.75 H new ATOM 0 HD3 LYS A 77 0.774 37.176 5.773 1.00 61.75 H new ATOM 0 HE2 LYS A 77 1.272 35.749 4.213 1.00100.00 H new ATOM 0 HE3 LYS A 77 2.334 36.701 3.583 1.00100.00 H new ATOM 0 HZ1 LYS A 77 3.314 34.779 4.261 1.00100.00 H new ATOM 0 HZ2 LYS A 77 3.872 35.867 5.047 1.00100.00 H new ATOM 0 HZ3 LYS A 77 2.882 34.979 5.634 1.00100.00 H new ATOM 576 N ASP A 78 2.440 42.605 7.420 1.00 24.29 N ATOM 577 CA ASP A 78 2.296 43.491 8.604 1.00 21.41 C ATOM 578 C ASP A 78 3.669 43.979 9.014 1.00 14.08 C ATOM 579 O ASP A 78 4.368 43.395 9.845 1.00 31.95 O ATOM 580 CB ASP A 78 1.547 42.829 9.790 1.00 25.98 C ATOM 581 CG ASP A 78 1.065 43.754 10.898 1.00 25.28 C ATOM 582 OD1 ASP A 78 0.052 43.529 11.541 1.00100.00 O ATOM 583 OD2 ASP A 78 1.850 44.781 11.115 1.00 51.94 O ATOM 0 H ASP A 78 3.247 42.330 7.308 1.00 24.29 H new ATOM 0 HA ASP A 78 1.738 44.242 8.348 1.00 21.41 H new ATOM 0 HB2 ASP A 78 0.778 42.355 9.436 1.00 25.98 H new ATOM 0 HB3 ASP A 78 2.133 42.164 10.184 1.00 25.98 H new ATOM 584 N PRO A 79 4.050 45.046 8.403 1.00 19.30 N ATOM 585 CA PRO A 79 5.337 45.614 8.661 1.00 24.69 C ATOM 586 C PRO A 79 5.672 45.931 10.087 1.00 13.44 C ATOM 587 O PRO A 79 6.763 45.627 10.579 1.00 32.99 O ATOM 588 CB PRO A 79 5.389 46.874 7.812 1.00 23.25 C ATOM 589 CG PRO A 79 4.329 46.723 6.722 1.00 14.44 C ATOM 590 CD PRO A 79 3.459 45.550 7.129 1.00 21.81 C ATOM 0 HA PRO A 79 6.004 44.946 8.440 1.00 24.69 H new ATOM 0 HB2 PRO A 79 5.215 47.660 8.353 1.00 23.25 H new ATOM 0 HB3 PRO A 79 6.269 46.988 7.421 1.00 23.25 H new ATOM 0 HG2 PRO A 79 3.801 47.532 6.639 1.00 14.44 H new ATOM 0 HG3 PRO A 79 4.742 46.564 5.859 1.00 14.44 H new ATOM 0 HD2 PRO A 79 2.537 45.825 7.255 1.00 21.81 H new ATOM 0 HD3 PRO A 79 3.459 44.861 6.446 1.00 21.81 H new ATOM 591 N GLY A 80 4.746 46.563 10.738 1.00 50.41 N ATOM 592 CA GLY A 80 4.965 46.942 12.103 1.00 20.85 C ATOM 593 C GLY A 80 5.084 45.770 13.049 1.00 46.34 C ATOM 594 O GLY A 80 5.808 45.810 14.047 1.00 42.57 O ATOM 0 H GLY A 80 3.981 46.785 10.414 1.00 50.41 H new ATOM 0 HA2 GLY A 80 5.775 47.474 12.156 1.00 20.85 H new ATOM 0 HA3 GLY A 80 4.234 47.509 12.394 1.00 20.85 H new ATOM 595 N ALA A 81 4.369 44.736 12.769 1.00 22.48 N ATOM 596 CA ALA A 81 4.483 43.645 13.664 1.00 29.83 C ATOM 597 C ALA A 81 5.763 42.983 13.397 1.00 41.59 C ATOM 598 O ALA A 81 6.416 42.420 14.280 1.00 36.61 O ATOM 599 CB ALA A 81 3.390 42.657 13.403 1.00 23.39 C ATOM 0 H ALA A 81 3.835 44.642 12.101 1.00 22.48 H new ATOM 0 HA ALA A 81 4.425 43.961 14.579 1.00 29.83 H new ATOM 0 HB1 ALA A 81 3.473 41.912 14.019 1.00 23.39 H new ATOM 0 HB2 ALA A 81 2.529 43.086 13.529 1.00 23.39 H new ATOM 0 HB3 ALA A 81 3.458 42.332 12.492 1.00 23.39 H new ATOM 600 N PHE A 82 6.113 43.035 12.146 1.00 27.46 N ATOM 601 CA PHE A 82 7.318 42.418 11.808 1.00 18.70 C ATOM 602 C PHE A 82 8.409 42.980 12.671 1.00 44.97 C ATOM 603 O PHE A 82 9.146 42.264 13.338 1.00 27.30 O ATOM 604 CB PHE A 82 7.640 42.550 10.322 1.00 20.21 C ATOM 605 CG PHE A 82 8.921 41.849 9.985 1.00 36.09 C ATOM 606 CD1 PHE A 82 8.952 40.486 9.713 1.00 36.62 C ATOM 607 CD2 PHE A 82 10.148 42.511 9.949 1.00 50.95 C ATOM 608 CE1 PHE A 82 10.144 39.820 9.410 1.00 33.08 C ATOM 609 CE2 PHE A 82 11.355 41.870 9.645 1.00 17.83 C ATOM 610 CZ PHE A 82 11.359 40.504 9.373 1.00 31.08 C ATOM 0 H PHE A 82 5.677 43.411 11.507 1.00 27.46 H new ATOM 0 HA PHE A 82 7.239 41.465 11.973 1.00 18.70 H new ATOM 0 HB2 PHE A 82 6.915 42.177 9.796 1.00 20.21 H new ATOM 0 HB3 PHE A 82 7.709 43.488 10.085 1.00 20.21 H new ATOM 0 HD1 PHE A 82 8.157 40.003 9.733 1.00 36.62 H new ATOM 0 HD2 PHE A 82 10.165 43.422 10.136 1.00 50.95 H new ATOM 0 HE1 PHE A 82 10.126 38.908 9.231 1.00 33.08 H new ATOM 0 HE2 PHE A 82 12.149 42.353 9.625 1.00 17.83 H new ATOM 0 HZ PHE A 82 12.151 40.060 9.172 1.00 31.08 H new ATOM 611 N LEU A 83 8.489 44.273 12.662 1.00 19.43 N ATOM 612 CA LEU A 83 9.480 44.978 13.414 1.00 43.18 C ATOM 613 C LEU A 83 9.483 44.757 14.907 1.00 28.62 C ATOM 614 O LEU A 83 10.536 44.546 15.508 1.00 22.61 O ATOM 615 CB LEU A 83 9.353 46.463 13.107 1.00 32.01 C ATOM 616 CG LEU A 83 9.677 46.747 11.655 1.00 20.91 C ATOM 617 CD1 LEU A 83 9.497 48.226 11.377 1.00 33.51 C ATOM 618 CD2 LEU A 83 11.126 46.372 11.392 1.00 8.27 C ATOM 0 H LEU A 83 7.961 44.781 12.212 1.00 19.43 H new ATOM 0 HA LEU A 83 10.330 44.609 13.127 1.00 43.18 H new ATOM 0 HB2 LEU A 83 8.452 46.762 13.305 1.00 32.01 H new ATOM 0 HB3 LEU A 83 9.951 46.967 13.680 1.00 32.01 H new ATOM 0 HG LEU A 83 9.087 46.232 11.083 1.00 20.91 H new ATOM 0 HD11 LEU A 83 9.704 48.408 10.447 1.00 33.51 H new ATOM 0 HD12 LEU A 83 8.579 48.480 11.559 1.00 33.51 H new ATOM 0 HD13 LEU A 83 10.092 48.737 11.947 1.00 33.51 H new ATOM 0 HD21 LEU A 83 11.343 46.550 10.464 1.00 8.27 H new ATOM 0 HD22 LEU A 83 11.706 46.897 11.966 1.00 8.27 H new ATOM 0 HD23 LEU A 83 11.255 45.429 11.578 1.00 8.27 H new ATOM 619 N LYS A 84 8.313 44.834 15.508 1.00 23.97 N ATOM 620 CA LYS A 84 8.186 44.663 16.949 1.00 48.78 C ATOM 621 C LYS A 84 8.782 43.364 17.438 1.00 22.02 C ATOM 622 O LYS A 84 9.425 43.281 18.493 1.00 48.08 O ATOM 623 CB LYS A 84 6.739 44.712 17.368 1.00 10.89 C ATOM 624 CG LYS A 84 6.253 46.097 17.725 1.00 46.58 C ATOM 625 CD LYS A 84 4.748 46.229 17.599 1.00 31.42 C ATOM 626 CE LYS A 84 4.319 47.636 17.229 1.00 46.73 C ATOM 627 NZ LYS A 84 3.169 47.666 16.316 1.00100.00 N ATOM 0 H LYS A 84 7.571 44.986 15.100 1.00 23.97 H new ATOM 0 HA LYS A 84 8.680 45.396 17.349 1.00 48.78 H new ATOM 0 HB2 LYS A 84 6.191 44.362 16.648 1.00 10.89 H new ATOM 0 HB3 LYS A 84 6.612 44.127 18.132 1.00 10.89 H new ATOM 0 HG2 LYS A 84 6.519 46.306 18.634 1.00 46.58 H new ATOM 0 HG3 LYS A 84 6.682 46.747 17.147 1.00 46.58 H new ATOM 0 HD2 LYS A 84 4.427 45.608 16.926 1.00 31.42 H new ATOM 0 HD3 LYS A 84 4.333 45.977 18.439 1.00 31.42 H new ATOM 0 HE2 LYS A 84 4.096 48.124 18.037 1.00 46.73 H new ATOM 0 HE3 LYS A 84 5.065 48.098 16.816 1.00 46.73 H new ATOM 0 HZ1 LYS A 84 2.958 48.511 16.131 1.00100.00 H new ATOM 0 HZ2 LYS A 84 3.377 47.241 15.562 1.00100.00 H new ATOM 0 HZ3 LYS A 84 2.474 47.265 16.701 1.00100.00 H new ATOM 628 N GLU A 85 8.528 42.350 16.641 1.00 21.18 N ATOM 629 CA GLU A 85 9.001 41.027 16.891 1.00 16.16 C ATOM 630 C GLU A 85 10.466 41.013 16.622 1.00 77.37 C ATOM 631 O GLU A 85 11.234 40.611 17.482 1.00 40.87 O ATOM 632 CB GLU A 85 8.330 40.027 15.925 1.00 31.46 C ATOM 633 CG GLU A 85 8.862 38.577 15.848 1.00100.00 C ATOM 634 CD GLU A 85 7.782 37.752 15.192 1.00100.00 C ATOM 635 OE1 GLU A 85 7.929 36.600 14.826 1.00100.00 O ATOM 636 OE2 GLU A 85 6.663 38.439 15.048 1.00100.00 O ATOM 0 H GLU A 85 8.062 42.421 15.922 1.00 21.18 H new ATOM 0 HA GLU A 85 8.798 40.775 17.806 1.00 16.16 H new ATOM 0 HB2 GLU A 85 7.390 39.981 16.160 1.00 31.46 H new ATOM 0 HB3 GLU A 85 8.381 40.404 15.033 1.00 31.46 H new ATOM 0 HG2 GLU A 85 9.684 38.539 15.335 1.00100.00 H new ATOM 0 HG3 GLU A 85 9.065 38.237 16.734 1.00100.00 H new ATOM 637 N LYS A 86 10.911 41.436 15.443 1.00 33.85 N ATOM 638 CA LYS A 86 12.351 41.354 15.300 1.00 14.84 C ATOM 639 C LYS A 86 13.135 42.089 16.303 1.00 77.00 C ATOM 640 O LYS A 86 14.176 41.614 16.766 1.00 35.33 O ATOM 641 CB LYS A 86 12.911 41.715 13.972 1.00 34.22 C ATOM 642 CG LYS A 86 12.454 40.739 12.939 1.00 28.41 C ATOM 643 CD LYS A 86 13.434 39.622 12.696 1.00 61.04 C ATOM 644 CE LYS A 86 12.716 38.307 12.464 1.00 81.24 C ATOM 645 NZ LYS A 86 12.652 37.933 11.046 1.00100.00 N ATOM 0 H LYS A 86 10.453 41.741 14.782 1.00 33.85 H new ATOM 0 HA LYS A 86 12.450 40.399 15.435 1.00 14.84 H new ATOM 0 HB2 LYS A 86 12.630 42.611 13.727 1.00 34.22 H new ATOM 0 HB3 LYS A 86 13.880 41.723 14.013 1.00 34.22 H new ATOM 0 HG2 LYS A 86 11.604 40.361 13.215 1.00 28.41 H new ATOM 0 HG3 LYS A 86 12.298 41.210 12.106 1.00 28.41 H new ATOM 0 HD2 LYS A 86 13.985 39.833 11.926 1.00 61.04 H new ATOM 0 HD3 LYS A 86 14.030 39.539 13.457 1.00 61.04 H new ATOM 0 HE2 LYS A 86 13.168 37.606 12.959 1.00 81.24 H new ATOM 0 HE3 LYS A 86 11.815 38.369 12.818 1.00 81.24 H new ATOM 0 HZ1 LYS A 86 12.149 37.204 10.953 1.00100.00 H new ATOM 0 HZ2 LYS A 86 12.295 38.601 10.578 1.00100.00 H new ATOM 0 HZ3 LYS A 86 13.473 37.767 10.745 1.00100.00 H new ATOM 646 N LEU A 87 12.674 43.256 16.620 1.00 18.29 N ATOM 647 CA LEU A 87 13.389 44.045 17.544 1.00 19.08 C ATOM 648 C LEU A 87 13.038 43.793 18.964 1.00 38.43 C ATOM 649 O LEU A 87 13.678 44.365 19.835 1.00 50.21 O ATOM 650 CB LEU A 87 13.122 45.530 17.247 1.00 24.88 C ATOM 651 CG LEU A 87 13.539 45.946 15.848 1.00 20.01 C ATOM 652 CD1 LEU A 87 13.109 47.382 15.584 1.00 23.06 C ATOM 653 CD2 LEU A 87 15.051 45.838 15.726 1.00 18.27 C ATOM 0 H LEU A 87 11.952 43.606 16.311 1.00 18.29 H new ATOM 0 HA LEU A 87 14.322 43.805 17.434 1.00 19.08 H new ATOM 0 HB2 LEU A 87 12.176 45.712 17.364 1.00 24.88 H new ATOM 0 HB3 LEU A 87 13.597 46.074 17.895 1.00 24.88 H new ATOM 0 HG LEU A 87 13.114 45.364 15.199 1.00 20.01 H new ATOM 0 HD11 LEU A 87 13.378 47.641 14.689 1.00 23.06 H new ATOM 0 HD12 LEU A 87 12.145 47.451 15.664 1.00 23.06 H new ATOM 0 HD13 LEU A 87 13.529 47.970 16.231 1.00 23.06 H new ATOM 0 HD21 LEU A 87 15.324 46.103 14.834 1.00 18.27 H new ATOM 0 HD22 LEU A 87 15.471 46.421 16.378 1.00 18.27 H new ATOM 0 HD23 LEU A 87 15.324 44.922 15.889 1.00 18.27 H new ATOM 654 N ASP A 88 12.038 42.966 19.223 1.00 49.33 N ATOM 655 CA ASP A 88 11.649 42.759 20.587 1.00 26.30 C ATOM 656 C ASP A 88 11.380 44.128 21.248 1.00100.00 C ATOM 657 O ASP A 88 11.812 44.403 22.360 1.00 39.34 O ATOM 658 CB ASP A 88 12.499 41.779 21.421 1.00 48.33 C ATOM 659 CG ASP A 88 11.699 41.294 22.592 1.00100.00 C ATOM 660 OD1 ASP A 88 10.503 41.100 22.542 1.00100.00 O ATOM 661 OD2 ASP A 88 12.416 41.172 23.686 1.00100.00 O ATOM 0 H ASP A 88 11.587 42.529 18.635 1.00 49.33 H new ATOM 0 HA ASP A 88 10.821 42.254 20.565 1.00 26.30 H new ATOM 0 HB2 ASP A 88 12.775 41.028 20.873 1.00 48.33 H new ATOM 0 HB3 ASP A 88 13.307 42.218 21.729 1.00 48.33 H new ATOM 662 N ASP A 89 10.651 44.993 20.516 1.00 26.59 N ATOM 663 CA ASP A 89 10.287 46.333 20.983 1.00 26.06 C ATOM 664 C ASP A 89 8.812 46.600 20.706 1.00 57.65 C ATOM 665 O ASP A 89 8.424 46.742 19.561 1.00 47.42 O ATOM 666 CB ASP A 89 11.142 47.420 20.317 1.00 38.00 C ATOM 667 CG ASP A 89 10.941 48.759 20.954 1.00 57.47 C ATOM 668 OD1 ASP A 89 11.556 49.753 20.628 1.00100.00 O ATOM 669 OD2 ASP A 89 10.003 48.748 21.870 1.00 43.26 O ATOM 0 H ASP A 89 10.355 44.810 19.729 1.00 26.59 H new ATOM 0 HA ASP A 89 10.453 46.365 21.938 1.00 26.06 H new ATOM 0 HB2 ASP A 89 12.078 47.173 20.373 1.00 38.00 H new ATOM 0 HB3 ASP A 89 10.919 47.474 19.375 1.00 38.00 H new ATOM 670 N LYS A 90 7.976 46.662 21.722 1.00 39.73 N ATOM 671 CA LYS A 90 6.546 46.898 21.484 1.00 66.43 C ATOM 672 C LYS A 90 6.287 48.260 20.896 1.00 45.74 C ATOM 673 O LYS A 90 5.240 48.576 20.318 1.00 66.37 O ATOM 674 CB LYS A 90 5.814 46.842 22.817 1.00 92.96 C ATOM 675 CG LYS A 90 5.045 45.547 23.136 1.00100.00 C ATOM 676 CD LYS A 90 3.974 45.761 24.243 1.00100.00 C ATOM 677 CE LYS A 90 3.321 44.497 24.848 1.00100.00 C ATOM 678 NZ LYS A 90 2.468 44.773 26.030 1.00100.00 N ATOM 0 H LYS A 90 8.200 46.573 22.548 1.00 39.73 H new ATOM 0 HA LYS A 90 6.238 46.220 20.863 1.00 66.43 H new ATOM 0 HB2 LYS A 90 6.462 46.990 23.524 1.00 92.96 H new ATOM 0 HB3 LYS A 90 5.187 47.581 22.848 1.00 92.96 H new ATOM 0 HG2 LYS A 90 4.615 45.221 22.330 1.00100.00 H new ATOM 0 HG3 LYS A 90 5.671 44.862 23.421 1.00100.00 H new ATOM 0 HD2 LYS A 90 4.384 46.262 24.965 1.00100.00 H new ATOM 0 HD3 LYS A 90 3.269 46.317 23.876 1.00100.00 H new ATOM 0 HE2 LYS A 90 2.785 44.062 24.167 1.00100.00 H new ATOM 0 HE3 LYS A 90 4.018 43.872 25.101 1.00100.00 H new ATOM 0 HZ1 LYS A 90 2.122 44.010 26.331 1.00100.00 H new ATOM 0 HZ2 LYS A 90 2.959 45.149 26.670 1.00100.00 H new ATOM 0 HZ3 LYS A 90 1.810 45.326 25.799 1.00100.00 H new ATOM 679 N LYS A 91 7.280 49.042 21.086 1.00 27.78 N ATOM 680 CA LYS A 91 7.279 50.366 20.666 1.00 19.80 C ATOM 681 C LYS A 91 7.839 50.601 19.229 1.00 94.68 C ATOM 682 O LYS A 91 7.843 51.741 18.780 1.00 34.71 O ATOM 683 CB LYS A 91 7.909 51.188 21.773 1.00 39.38 C ATOM 684 CG LYS A 91 6.927 51.595 22.858 1.00100.00 C ATOM 685 CD LYS A 91 7.552 52.645 23.765 1.00100.00 C ATOM 686 CE LYS A 91 6.799 52.852 25.064 1.00100.00 C ATOM 687 NZ LYS A 91 7.536 53.653 26.051 1.00100.00 N ATOM 0 H LYS A 91 8.005 48.801 21.482 1.00 27.78 H new ATOM 0 HA LYS A 91 6.368 50.672 20.535 1.00 19.80 H new ATOM 0 HB2 LYS A 91 8.630 50.679 22.174 1.00 39.38 H new ATOM 0 HB3 LYS A 91 8.305 51.986 21.389 1.00 39.38 H new ATOM 0 HG2 LYS A 91 6.117 51.946 22.456 1.00100.00 H new ATOM 0 HG3 LYS A 91 6.671 50.818 23.380 1.00100.00 H new ATOM 0 HD2 LYS A 91 8.464 52.385 23.967 1.00100.00 H new ATOM 0 HD3 LYS A 91 7.596 53.488 23.288 1.00100.00 H new ATOM 0 HE2 LYS A 91 5.953 53.287 24.873 1.00100.00 H new ATOM 0 HE3 LYS A 91 6.592 51.987 25.451 1.00100.00 H new ATOM 0 HZ1 LYS A 91 7.046 53.740 26.789 1.00100.00 H new ATOM 0 HZ2 LYS A 91 8.302 53.247 26.251 1.00100.00 H new ATOM 0 HZ3 LYS A 91 7.707 54.458 25.712 1.00100.00 H new ATOM 688 N ALA A 92 8.297 49.524 18.491 1.00 36.21 N ATOM 689 CA ALA A 92 8.843 49.646 17.089 1.00 50.55 C ATOM 690 C ALA A 92 7.770 50.196 16.119 1.00 42.10 C ATOM 691 O ALA A 92 6.704 49.609 16.011 1.00 45.50 O ATOM 692 CB ALA A 92 9.376 48.307 16.581 1.00 29.16 C ATOM 0 H ALA A 92 8.297 48.718 18.790 1.00 36.21 H new ATOM 0 HA ALA A 92 9.581 50.275 17.121 1.00 50.55 H new ATOM 0 HB1 ALA A 92 9.719 48.416 15.680 1.00 29.16 H new ATOM 0 HB2 ALA A 92 10.088 48.000 17.163 1.00 29.16 H new ATOM 0 HB3 ALA A 92 8.659 47.654 16.576 1.00 29.16 H new ATOM 693 N LYS A 93 8.040 51.320 15.416 1.00 29.45 N ATOM 694 CA LYS A 93 7.077 51.947 14.473 1.00 37.33 C ATOM 695 C LYS A 93 7.482 51.756 12.974 1.00 35.94 C ATOM 696 O LYS A 93 8.663 51.740 12.644 1.00 27.57 O ATOM 697 CB LYS A 93 6.875 53.432 14.852 1.00 68.50 C ATOM 698 CG LYS A 93 5.549 53.772 15.574 1.00100.00 C ATOM 699 CD LYS A 93 5.342 55.297 15.801 1.00100.00 C ATOM 700 CE LYS A 93 3.925 55.856 15.547 1.00100.00 C ATOM 701 NZ LYS A 93 3.927 57.160 14.855 1.00100.00 N ATOM 0 H LYS A 93 8.788 51.740 15.473 1.00 29.45 H new ATOM 0 HA LYS A 93 6.226 51.490 14.559 1.00 37.33 H new ATOM 0 HB2 LYS A 93 7.612 53.706 15.420 1.00 68.50 H new ATOM 0 HB3 LYS A 93 6.928 53.964 14.043 1.00 68.50 H new ATOM 0 HG2 LYS A 93 4.807 53.426 15.054 1.00100.00 H new ATOM 0 HG3 LYS A 93 5.530 53.319 16.431 1.00100.00 H new ATOM 0 HD2 LYS A 93 5.587 55.502 16.717 1.00100.00 H new ATOM 0 HD3 LYS A 93 5.962 55.774 15.228 1.00100.00 H new ATOM 0 HE2 LYS A 93 3.422 55.217 15.018 1.00100.00 H new ATOM 0 HE3 LYS A 93 3.463 55.948 16.395 1.00100.00 H new ATOM 0 HZ1 LYS A 93 3.089 57.434 14.735 1.00100.00 H new ATOM 0 HZ2 LYS A 93 4.366 57.757 15.348 1.00100.00 H new ATOM 0 HZ3 LYS A 93 4.327 57.076 14.065 1.00100.00 H new ATOM 702 N THR A 94 6.508 51.593 12.076 1.00 28.14 N ATOM 703 CA THR A 94 6.841 51.417 10.681 1.00 28.39 C ATOM 704 C THR A 94 6.477 52.645 9.928 1.00 17.45 C ATOM 705 O THR A 94 5.501 53.351 10.224 1.00 24.26 O ATOM 706 CB THR A 94 6.155 50.208 10.011 1.00 18.66 C ATOM 707 OG1 THR A 94 6.714 49.978 8.722 1.00 30.91 O ATOM 708 CG2 THR A 94 4.680 50.540 9.855 1.00 28.17 C ATOM 0 H THR A 94 5.667 51.583 12.258 1.00 28.14 H new ATOM 0 HA THR A 94 7.795 51.246 10.656 1.00 28.39 H new ATOM 0 HB THR A 94 6.281 49.414 10.553 1.00 18.66 H new ATOM 0 HG1 THR A 94 7.511 50.242 8.711 1.00 30.91 H new ATOM 0 HG21 THR A 94 4.223 49.795 9.435 1.00 28.17 H new ATOM 0 HG22 THR A 94 4.291 50.706 10.728 1.00 28.17 H new ATOM 0 HG23 THR A 94 4.583 51.331 9.302 1.00 28.17 H new ATOM 709 N GLY A 95 7.276 52.886 8.942 1.00 16.85 N ATOM 710 CA GLY A 95 7.042 54.009 8.118 1.00 7.45 C ATOM 711 C GLY A 95 6.237 53.553 6.913 1.00 15.53 C ATOM 712 O GLY A 95 5.702 54.364 6.167 1.00 32.45 O ATOM 0 H GLY A 95 7.961 52.410 8.733 1.00 16.85 H new ATOM 0 HA2 GLY A 95 6.560 54.693 8.608 1.00 7.45 H new ATOM 0 HA3 GLY A 95 7.882 54.402 7.835 1.00 7.45 H new ATOM 713 N MET A 96 6.161 52.232 6.716 1.00 26.19 N ATOM 714 CA MET A 96 5.418 51.677 5.594 1.00 10.85 C ATOM 715 C MET A 96 3.963 51.526 5.964 1.00 28.18 C ATOM 716 O MET A 96 3.595 50.658 6.751 1.00 23.27 O ATOM 717 CB MET A 96 6.015 50.361 5.091 1.00 14.06 C ATOM 718 CG MET A 96 5.298 49.820 3.875 1.00 5.41 C ATOM 719 SD MET A 96 6.291 48.571 3.027 1.00 16.97 S ATOM 720 CE MET A 96 5.031 47.331 2.661 1.00 11.86 C ATOM 0 H MET A 96 6.534 51.646 7.223 1.00 26.19 H new ATOM 0 HA MET A 96 5.487 52.300 4.854 1.00 10.85 H new ATOM 0 HB2 MET A 96 6.951 50.497 4.876 1.00 14.06 H new ATOM 0 HB3 MET A 96 5.980 49.702 5.802 1.00 14.06 H new ATOM 0 HG2 MET A 96 4.449 49.434 4.143 1.00 5.41 H new ATOM 0 HG3 MET A 96 5.099 50.547 3.264 1.00 5.41 H new ATOM 0 HE1 MET A 96 5.446 46.564 2.236 1.00 11.86 H new ATOM 0 HE2 MET A 96 4.603 47.052 3.485 1.00 11.86 H new ATOM 0 HE3 MET A 96 4.367 47.711 2.065 1.00 11.86 H new ATOM 721 N ALA A 97 3.133 52.384 5.400 1.00 42.56 N ATOM 722 CA ALA A 97 1.717 52.363 5.705 1.00 42.51 C ATOM 723 C ALA A 97 0.823 51.498 4.832 1.00 18.28 C ATOM 724 O ALA A 97 -0.156 52.001 4.267 1.00100.00 O ATOM 725 CB ALA A 97 1.194 53.780 5.760 1.00 53.01 C ATOM 0 H ALA A 97 3.370 52.988 4.836 1.00 42.56 H new ATOM 0 HA ALA A 97 1.667 51.922 6.567 1.00 42.51 H new ATOM 0 HB1 ALA A 97 0.246 53.767 5.964 1.00 53.01 H new ATOM 0 HB2 ALA A 97 1.666 54.273 6.449 1.00 53.01 H new ATOM 0 HB3 ALA A 97 1.334 54.210 4.902 1.00 53.01 H new ATOM 726 N PHE A 98 1.145 50.211 4.745 1.00 63.93 N ATOM 727 CA PHE A 98 0.374 49.290 3.955 1.00 24.50 C ATOM 728 C PHE A 98 0.615 47.884 4.416 1.00 24.02 C ATOM 729 O PHE A 98 1.725 47.524 4.789 1.00 24.87 O ATOM 730 CB PHE A 98 0.751 49.442 2.488 1.00 17.68 C ATOM 731 CG PHE A 98 0.051 48.501 1.565 1.00 14.64 C ATOM 732 CD1 PHE A 98 -1.285 48.693 1.223 1.00 24.76 C ATOM 733 CD2 PHE A 98 0.747 47.428 1.009 1.00 17.07 C ATOM 734 CE1 PHE A 98 -1.909 47.809 0.346 1.00 30.34 C ATOM 735 CE2 PHE A 98 0.141 46.536 0.129 1.00 44.52 C ATOM 736 CZ PHE A 98 -1.198 46.738 -0.199 1.00 34.19 C ATOM 0 H PHE A 98 1.818 49.857 5.146 1.00 63.93 H new ATOM 0 HA PHE A 98 -0.570 49.487 4.062 1.00 24.50 H new ATOM 0 HB2 PHE A 98 0.560 50.351 2.210 1.00 17.68 H new ATOM 0 HB3 PHE A 98 1.708 49.313 2.397 1.00 17.68 H new ATOM 0 HD1 PHE A 98 -1.759 49.409 1.579 1.00 24.76 H new ATOM 0 HD2 PHE A 98 1.641 47.305 1.233 1.00 17.07 H new ATOM 0 HE1 PHE A 98 -2.803 47.933 0.122 1.00 30.34 H new ATOM 0 HE2 PHE A 98 0.618 45.823 -0.231 1.00 44.52 H new ATOM 0 HZ PHE A 98 -1.622 46.154 -0.786 1.00 34.19 H new ATOM 737 N LYS A 99 -0.417 47.097 4.396 1.00 12.66 N ATOM 738 CA LYS A 99 -0.289 45.737 4.792 1.00 18.43 C ATOM 739 C LYS A 99 -0.834 44.995 3.615 1.00 6.89 C ATOM 740 O LYS A 99 -1.925 45.298 3.148 1.00 31.48 O ATOM 741 CB LYS A 99 -1.037 45.442 6.075 1.00 11.37 C ATOM 742 CG LYS A 99 -0.593 46.333 7.225 1.00 38.44 C ATOM 743 CD LYS A 99 -1.539 46.232 8.430 1.00 16.43 C ATOM 744 CE LYS A 99 -0.852 46.089 9.801 1.00100.00 C ATOM 745 NZ LYS A 99 -1.768 46.302 10.941 1.00100.00 N ATOM 0 H LYS A 99 -1.208 47.333 4.154 1.00 12.66 H new ATOM 0 HA LYS A 99 0.623 45.482 5.002 1.00 18.43 H new ATOM 0 HB2 LYS A 99 -1.988 45.561 5.926 1.00 11.37 H new ATOM 0 HB3 LYS A 99 -0.902 44.513 6.319 1.00 11.37 H new ATOM 0 HG2 LYS A 99 0.304 46.085 7.498 1.00 38.44 H new ATOM 0 HG3 LYS A 99 -0.553 47.254 6.923 1.00 38.44 H new ATOM 0 HD2 LYS A 99 -2.101 47.023 8.448 1.00 16.43 H new ATOM 0 HD3 LYS A 99 -2.125 45.471 8.298 1.00 16.43 H new ATOM 0 HE2 LYS A 99 -0.462 45.203 9.869 1.00100.00 H new ATOM 0 HE3 LYS A 99 -0.122 46.726 9.858 1.00100.00 H new ATOM 0 HZ1 LYS A 99 -1.320 46.208 11.704 1.00100.00 H new ATOM 0 HZ2 LYS A 99 -2.110 47.122 10.898 1.00100.00 H new ATOM 0 HZ3 LYS A 99 -2.427 45.704 10.909 1.00100.00 H new ATOM 746 N LEU A 100 -0.110 44.068 3.090 1.00 35.15 N ATOM 747 CA LEU A 100 -0.626 43.368 1.950 1.00 16.52 C ATOM 748 C LEU A 100 -1.374 42.166 2.454 1.00 35.31 C ATOM 749 O LEU A 100 -0.897 41.504 3.360 1.00 34.19 O ATOM 750 CB LEU A 100 0.580 42.927 1.117 1.00 3.28 C ATOM 751 CG LEU A 100 0.255 41.912 0.046 1.00 16.05 C ATOM 752 CD1 LEU A 100 -0.203 42.643 -1.207 1.00 9.43 C ATOM 753 CD2 LEU A 100 1.478 41.043 -0.253 1.00 19.09 C ATOM 0 H LEU A 100 0.668 43.824 3.363 1.00 35.15 H new ATOM 0 HA LEU A 100 -1.220 43.916 1.414 1.00 16.52 H new ATOM 0 HB2 LEU A 100 0.975 43.708 0.699 1.00 3.28 H new ATOM 0 HB3 LEU A 100 1.251 42.553 1.710 1.00 3.28 H new ATOM 0 HG LEU A 100 -0.456 41.330 0.355 1.00 16.05 H new ATOM 0 HD11 LEU A 100 -0.414 41.997 -1.900 1.00 9.43 H new ATOM 0 HD12 LEU A 100 -0.993 43.169 -1.005 1.00 9.43 H new ATOM 0 HD13 LEU A 100 0.505 43.229 -1.517 1.00 9.43 H new ATOM 0 HD21 LEU A 100 1.256 40.397 -0.941 1.00 19.09 H new ATOM 0 HD22 LEU A 100 2.207 41.604 -0.561 1.00 19.09 H new ATOM 0 HD23 LEU A 100 1.748 40.576 0.553 1.00 19.09 H new ATOM 754 N ALA A 101 -2.511 41.853 1.914 1.00 31.43 N ATOM 755 CA ALA A 101 -3.202 40.704 2.437 1.00 20.11 C ATOM 756 C ALA A 101 -2.702 39.321 2.042 1.00 33.67 C ATOM 757 O ALA A 101 -2.578 38.438 2.879 1.00 23.44 O ATOM 758 CB ALA A 101 -4.631 40.799 2.003 1.00 60.13 C ATOM 0 H ALA A 101 -2.896 42.269 1.267 1.00 31.43 H new ATOM 0 HA ALA A 101 -3.049 40.753 3.394 1.00 20.11 H new ATOM 0 HB1 ALA A 101 -5.124 40.035 2.342 1.00 60.13 H new ATOM 0 HB2 ALA A 101 -5.022 41.616 2.351 1.00 60.13 H new ATOM 0 HB3 ALA A 101 -4.675 40.808 1.034 1.00 60.13 H new ATOM 759 N LYS A 102 -2.456 39.139 0.767 1.00 33.67 N ATOM 760 CA LYS A 102 -2.040 37.886 0.193 1.00 27.03 C ATOM 761 C LYS A 102 -1.104 38.222 -0.925 1.00 33.42 C ATOM 762 O LYS A 102 -1.368 39.168 -1.667 1.00 28.01 O ATOM 763 CB LYS A 102 -3.395 37.380 -0.405 1.00 47.08 C ATOM 764 CG LYS A 102 -3.463 36.146 -1.333 1.00 32.50 C ATOM 765 CD LYS A 102 -4.521 36.219 -2.506 1.00 47.62 C ATOM 766 CE LYS A 102 -4.036 36.890 -3.831 1.00100.00 C ATOM 767 NZ LYS A 102 -4.217 36.092 -5.080 1.00 60.35 N ATOM 0 H LYS A 102 -2.530 39.769 0.186 1.00 33.67 H new ATOM 0 HA LYS A 102 -1.608 37.255 0.790 1.00 27.03 H new ATOM 0 HB2 LYS A 102 -3.983 37.200 0.345 1.00 47.08 H new ATOM 0 HB3 LYS A 102 -3.780 38.123 -0.896 1.00 47.08 H new ATOM 0 HG2 LYS A 102 -2.585 36.007 -1.721 1.00 32.50 H new ATOM 0 HG3 LYS A 102 -3.661 35.366 -0.791 1.00 32.50 H new ATOM 0 HD2 LYS A 102 -4.813 35.317 -2.710 1.00 47.62 H new ATOM 0 HD3 LYS A 102 -5.298 36.703 -2.186 1.00 47.62 H new ATOM 0 HE2 LYS A 102 -4.507 37.732 -3.936 1.00100.00 H new ATOM 0 HE3 LYS A 102 -3.094 37.101 -3.738 1.00100.00 H new ATOM 0 HZ1 LYS A 102 -3.913 36.556 -5.776 1.00 60.35 H new ATOM 0 HZ2 LYS A 102 -3.765 35.328 -5.013 1.00 60.35 H new ATOM 0 HZ3 LYS A 102 -5.081 35.915 -5.197 1.00 60.35 H new ATOM 768 N GLY A 103 -0.012 37.478 -1.074 1.00 39.29 N ATOM 769 CA GLY A 103 0.888 37.784 -2.185 1.00 44.24 C ATOM 770 C GLY A 103 2.385 37.895 -1.907 1.00 88.66 C ATOM 771 O GLY A 103 3.203 37.884 -2.826 1.00 38.87 O ATOM 0 H GLY A 103 0.220 36.821 -0.570 1.00 39.29 H new ATOM 0 HA2 GLY A 103 0.764 37.099 -2.861 1.00 44.24 H new ATOM 0 HA3 GLY A 103 0.598 38.623 -2.575 1.00 44.24 H new ATOM 772 N GLY A 104 2.714 38.003 -0.644 1.00 20.14 N ATOM 773 CA GLY A 104 4.068 38.150 -0.131 1.00 14.73 C ATOM 774 C GLY A 104 5.199 37.355 -0.759 1.00 27.86 C ATOM 775 O GLY A 104 6.231 37.906 -1.138 1.00 36.39 O ATOM 0 H GLY A 104 2.124 37.993 -0.018 1.00 20.14 H new ATOM 0 HA2 GLY A 104 4.302 39.089 -0.196 1.00 14.73 H new ATOM 0 HA3 GLY A 104 4.046 37.928 0.813 1.00 14.73 H new ATOM 776 N GLU A 105 5.018 36.088 -0.839 1.00 26.02 N ATOM 777 CA GLU A 105 6.000 35.196 -1.367 1.00 26.71 C ATOM 778 C GLU A 105 6.262 35.319 -2.841 1.00 18.29 C ATOM 779 O GLU A 105 7.366 35.083 -3.344 1.00 27.94 O ATOM 780 CB GLU A 105 5.374 33.881 -1.157 1.00 15.46 C ATOM 781 CG GLU A 105 6.224 32.940 -0.375 1.00100.00 C ATOM 782 CD GLU A 105 5.385 31.742 -0.154 1.00100.00 C ATOM 783 OE1 GLU A 105 4.216 31.670 -0.511 1.00100.00 O ATOM 784 OE2 GLU A 105 6.030 30.773 0.426 1.00100.00 O ATOM 0 H GLU A 105 4.297 35.697 -0.581 1.00 26.02 H new ATOM 0 HA GLU A 105 6.854 35.366 -0.940 1.00 26.71 H new ATOM 0 HB2 GLU A 105 4.529 34.002 -0.696 1.00 15.46 H new ATOM 0 HB3 GLU A 105 5.173 33.485 -2.019 1.00 15.46 H new ATOM 0 HG2 GLU A 105 7.033 32.715 -0.860 1.00100.00 H new ATOM 0 HG3 GLU A 105 6.498 33.335 0.468 1.00100.00 H new ATOM 785 N ASP A 106 5.197 35.666 -3.511 1.00 17.70 N ATOM 786 CA ASP A 106 5.197 35.846 -4.925 1.00 20.13 C ATOM 787 C ASP A 106 5.896 37.137 -5.238 1.00 26.47 C ATOM 788 O ASP A 106 6.769 37.200 -6.100 1.00 21.73 O ATOM 789 CB ASP A 106 3.768 35.914 -5.448 1.00 34.63 C ATOM 790 CG ASP A 106 3.035 34.617 -5.326 1.00 16.73 C ATOM 791 OD1 ASP A 106 1.844 34.525 -5.517 1.00 53.76 O ATOM 792 OD2 ASP A 106 3.809 33.601 -5.016 1.00 64.10 O ATOM 0 H ASP A 106 4.433 35.807 -3.143 1.00 17.70 H new ATOM 0 HA ASP A 106 5.650 35.099 -5.347 1.00 20.13 H new ATOM 0 HB2 ASP A 106 3.284 36.600 -4.962 1.00 34.63 H new ATOM 0 HB3 ASP A 106 3.783 36.184 -6.380 1.00 34.63 H new ATOM 793 N VAL A 107 5.496 38.182 -4.515 1.00 15.47 N ATOM 794 CA VAL A 107 6.104 39.474 -4.702 1.00 25.64 C ATOM 795 C VAL A 107 7.581 39.353 -4.301 1.00 16.26 C ATOM 796 O VAL A 107 8.463 39.941 -4.926 1.00 23.05 O ATOM 797 CB VAL A 107 5.349 40.560 -3.946 1.00 8.39 C ATOM 798 CG1 VAL A 107 6.214 41.803 -3.786 1.00 25.77 C ATOM 799 CG2 VAL A 107 4.101 40.911 -4.740 1.00 26.51 C ATOM 0 H VAL A 107 4.878 38.154 -3.918 1.00 15.47 H new ATOM 0 HA VAL A 107 6.058 39.749 -5.631 1.00 25.64 H new ATOM 0 HB VAL A 107 5.114 40.237 -3.062 1.00 8.39 H new ATOM 0 HG11 VAL A 107 5.718 42.483 -3.303 1.00 25.77 H new ATOM 0 HG12 VAL A 107 7.017 41.577 -3.291 1.00 25.77 H new ATOM 0 HG13 VAL A 107 6.458 42.142 -4.661 1.00 25.77 H new ATOM 0 HG21 VAL A 107 3.605 41.602 -4.275 1.00 26.51 H new ATOM 0 HG22 VAL A 107 4.356 41.233 -5.619 1.00 26.51 H new ATOM 0 HG23 VAL A 107 3.544 40.122 -4.834 1.00 26.51 H new ATOM 800 N ALA A 108 7.827 38.546 -3.236 1.00 36.06 N ATOM 801 CA ALA A 108 9.170 38.289 -2.713 1.00 12.88 C ATOM 802 C ALA A 108 10.021 37.653 -3.794 1.00 6.45 C ATOM 803 O ALA A 108 11.139 38.089 -4.062 1.00 24.94 O ATOM 804 CB ALA A 108 9.149 37.475 -1.415 1.00 16.13 C ATOM 0 H ALA A 108 7.206 38.137 -2.804 1.00 36.06 H new ATOM 0 HA ALA A 108 9.574 39.136 -2.469 1.00 12.88 H new ATOM 0 HB1 ALA A 108 10.058 37.331 -1.109 1.00 16.13 H new ATOM 0 HB2 ALA A 108 8.653 37.960 -0.737 1.00 16.13 H new ATOM 0 HB3 ALA A 108 8.723 36.619 -1.577 1.00 16.13 H new ATOM 805 N ALA A 109 9.470 36.627 -4.433 1.00 33.06 N ATOM 806 CA ALA A 109 10.175 35.946 -5.499 1.00 28.48 C ATOM 807 C ALA A 109 10.440 36.865 -6.681 1.00 21.18 C ATOM 808 O ALA A 109 11.506 36.828 -7.283 1.00 26.34 O ATOM 809 CB ALA A 109 9.410 34.723 -5.965 1.00 19.92 C ATOM 0 H ALA A 109 8.688 36.313 -4.261 1.00 33.06 H new ATOM 0 HA ALA A 109 11.029 35.666 -5.135 1.00 28.48 H new ATOM 0 HB1 ALA A 109 9.902 34.286 -6.678 1.00 19.92 H new ATOM 0 HB2 ALA A 109 9.300 34.108 -5.223 1.00 19.92 H new ATOM 0 HB3 ALA A 109 8.538 34.992 -6.293 1.00 19.92 H new ATOM 810 N TYR A 110 9.476 37.672 -7.024 1.00 25.40 N ATOM 811 CA TYR A 110 9.628 38.576 -8.125 1.00 16.05 C ATOM 812 C TYR A 110 10.827 39.486 -7.880 1.00 20.64 C ATOM 813 O TYR A 110 11.752 39.665 -8.689 1.00 31.05 O ATOM 814 CB TYR A 110 8.347 39.380 -8.131 1.00 11.63 C ATOM 815 CG TYR A 110 8.446 40.550 -9.009 1.00 28.72 C ATOM 816 CD1 TYR A 110 8.848 40.402 -10.333 1.00 30.69 C ATOM 817 CD2 TYR A 110 8.144 41.825 -8.544 1.00 25.86 C ATOM 818 CE1 TYR A 110 8.945 41.501 -11.187 1.00 25.63 C ATOM 819 CE2 TYR A 110 8.234 42.937 -9.383 1.00 12.31 C ATOM 820 CZ TYR A 110 8.637 42.773 -10.707 1.00 27.66 C ATOM 821 OH TYR A 110 8.729 43.864 -11.532 1.00 25.11 O ATOM 0 H TYR A 110 8.714 37.713 -6.627 1.00 25.40 H new ATOM 0 HA TYR A 110 9.780 38.122 -8.969 1.00 16.05 H new ATOM 0 HB2 TYR A 110 7.613 38.817 -8.423 1.00 11.63 H new ATOM 0 HB3 TYR A 110 8.142 39.669 -7.228 1.00 11.63 H new ATOM 0 HD1 TYR A 110 9.056 39.555 -10.655 1.00 30.69 H new ATOM 0 HD2 TYR A 110 7.878 41.939 -7.660 1.00 25.86 H new ATOM 0 HE1 TYR A 110 9.213 41.386 -12.070 1.00 25.63 H new ATOM 0 HE2 TYR A 110 8.026 43.784 -9.060 1.00 12.31 H new ATOM 0 HH TYR A 110 8.168 44.442 -11.296 1.00 25.11 H new ATOM 822 N LEU A 111 10.797 40.051 -6.723 1.00 31.92 N ATOM 823 CA LEU A 111 11.860 40.921 -6.363 1.00 23.39 C ATOM 824 C LEU A 111 13.232 40.234 -6.487 1.00 46.24 C ATOM 825 O LEU A 111 14.218 40.868 -6.860 1.00 24.49 O ATOM 826 CB LEU A 111 11.676 41.465 -4.933 1.00 22.65 C ATOM 827 CG LEU A 111 10.536 42.482 -4.752 1.00 13.53 C ATOM 828 CD1 LEU A 111 10.348 42.777 -3.265 1.00 11.92 C ATOM 829 CD2 LEU A 111 10.833 43.778 -5.505 1.00 10.74 C ATOM 0 H LEU A 111 10.179 39.949 -6.133 1.00 31.92 H new ATOM 0 HA LEU A 111 11.836 41.663 -6.987 1.00 23.39 H new ATOM 0 HB2 LEU A 111 11.518 40.716 -4.337 1.00 22.65 H new ATOM 0 HB3 LEU A 111 12.506 41.880 -4.653 1.00 22.65 H new ATOM 0 HG LEU A 111 9.722 42.101 -5.116 1.00 13.53 H new ATOM 0 HD11 LEU A 111 9.629 43.418 -3.150 1.00 11.92 H new ATOM 0 HD12 LEU A 111 10.126 41.956 -2.798 1.00 11.92 H new ATOM 0 HD13 LEU A 111 11.169 43.144 -2.901 1.00 11.92 H new ATOM 0 HD21 LEU A 111 10.102 44.402 -5.376 1.00 10.74 H new ATOM 0 HD22 LEU A 111 11.654 44.168 -5.167 1.00 10.74 H new ATOM 0 HD23 LEU A 111 10.932 43.587 -6.451 1.00 10.74 H new ATOM 830 N ALA A 112 13.307 38.942 -6.165 1.00 30.68 N ATOM 831 CA ALA A 112 14.588 38.252 -6.251 1.00 13.00 C ATOM 832 C ALA A 112 15.060 38.119 -7.671 1.00 29.61 C ATOM 833 O ALA A 112 16.248 38.210 -7.992 1.00 30.01 O ATOM 834 CB ALA A 112 14.507 36.876 -5.602 1.00 3.52 C ATOM 0 H ALA A 112 12.645 38.460 -5.901 1.00 30.68 H new ATOM 0 HA ALA A 112 15.233 38.793 -5.770 1.00 13.00 H new ATOM 0 HB1 ALA A 112 15.368 36.435 -5.670 1.00 3.52 H new ATOM 0 HB2 ALA A 112 14.267 36.973 -4.667 1.00 3.52 H new ATOM 0 HB3 ALA A 112 13.835 36.343 -6.055 1.00 3.52 H new ATOM 835 N SER A 113 14.065 37.898 -8.492 1.00 25.54 N ATOM 836 CA SER A 113 14.155 37.681 -9.912 1.00 26.25 C ATOM 837 C SER A 113 14.684 38.803 -10.778 1.00 20.42 C ATOM 838 O SER A 113 15.420 38.587 -11.742 1.00 59.75 O ATOM 839 CB SER A 113 12.803 37.226 -10.432 1.00 27.95 C ATOM 840 OG SER A 113 12.138 38.297 -11.072 1.00 59.51 O ATOM 0 H SER A 113 13.252 37.868 -8.212 1.00 25.54 H new ATOM 0 HA SER A 113 14.844 37.004 -9.994 1.00 26.25 H new ATOM 0 HB2 SER A 113 12.919 36.491 -11.054 1.00 27.95 H new ATOM 0 HB3 SER A 113 12.262 36.893 -9.698 1.00 27.95 H new ATOM 0 HG SER A 113 11.913 38.870 -10.500 1.00 59.51 H new ATOM 841 N VAL A 114 14.272 39.969 -10.411 1.00 46.82 N ATOM 842 CA VAL A 114 14.545 41.224 -11.028 1.00 35.35 C ATOM 843 C VAL A 114 15.978 41.619 -11.304 1.00 53.81 C ATOM 844 O VAL A 114 16.249 42.410 -12.210 1.00 31.58 O ATOM 845 CB VAL A 114 13.774 42.248 -10.247 1.00 23.10 C ATOM 846 CG1 VAL A 114 14.594 43.499 -10.008 1.00 48.15 C ATOM 847 CG2 VAL A 114 12.528 42.585 -11.040 1.00 25.36 C ATOM 0 H VAL A 114 13.770 40.061 -9.719 1.00 46.82 H new ATOM 0 HA VAL A 114 14.255 41.149 -11.950 1.00 35.35 H new ATOM 0 HB VAL A 114 13.545 41.888 -9.376 1.00 23.10 H new ATOM 0 HG11 VAL A 114 14.069 44.139 -9.502 1.00 48.15 H new ATOM 0 HG12 VAL A 114 15.394 43.271 -9.509 1.00 48.15 H new ATOM 0 HG13 VAL A 114 14.845 43.889 -10.860 1.00 48.15 H new ATOM 0 HG21 VAL A 114 12.007 43.247 -10.559 1.00 25.36 H new ATOM 0 HG22 VAL A 114 12.782 42.941 -11.906 1.00 25.36 H new ATOM 0 HG23 VAL A 114 11.996 41.783 -11.164 1.00 25.36 H new ATOM 848 N VAL A 115 16.882 41.076 -10.537 1.00 25.27 N ATOM 849 CA VAL A 115 18.269 41.387 -10.695 1.00 35.07 C ATOM 850 C VAL A 115 19.049 40.360 -11.620 1.00 52.37 C ATOM 851 O VAL A 115 20.279 40.445 -11.718 1.00 84.86 O ATOM 852 CB VAL A 115 18.875 41.616 -9.285 1.00 27.92 C ATOM 853 CG1 VAL A 115 18.329 42.884 -8.623 1.00 32.92 C ATOM 854 CG2 VAL A 115 18.526 40.429 -8.399 1.00 19.09 C ATOM 0 H VAL A 115 16.709 40.515 -9.908 1.00 25.27 H new ATOM 0 HA VAL A 115 18.370 42.211 -11.197 1.00 35.07 H new ATOM 0 HB VAL A 115 19.834 41.714 -9.389 1.00 27.92 H new ATOM 0 HG11 VAL A 115 18.731 42.991 -7.747 1.00 32.92 H new ATOM 0 HG12 VAL A 115 18.543 43.654 -9.173 1.00 32.92 H new ATOM 0 HG13 VAL A 115 17.366 42.812 -8.530 1.00 32.92 H new ATOM 0 HG21 VAL A 115 18.901 40.564 -7.515 1.00 19.09 H new ATOM 0 HG22 VAL A 115 17.562 40.348 -8.332 1.00 19.09 H new ATOM 0 HG23 VAL A 115 18.892 39.618 -8.785 1.00 19.09 H new ATOM 855 N LYS A 116 18.277 39.393 -12.309 1.00100.00 N ATOM 856 CA LYS A 116 18.754 38.305 -13.268 1.00100.00 C ATOM 857 C LYS A 116 18.463 38.618 -14.756 1.00100.00 C ATOM 858 O LYS A 116 17.703 37.841 -15.399 1.00100.00 O ATOM 859 CB LYS A 116 18.425 36.828 -12.898 1.00100.00 C ATOM 860 CG LYS A 116 17.869 36.605 -11.497 1.00100.00 C ATOM 861 CD LYS A 116 18.607 35.538 -10.695 1.00100.00 C ATOM 862 CE LYS A 116 19.006 36.017 -9.298 1.00100.00 C ATOM 863 NZ LYS A 116 17.923 35.953 -8.298 1.00100.00 N ATOM 864 OXT LYS A 116 18.961 39.663 -15.226 1.00100.00 O ATOM 0 H LYS A 116 17.423 39.369 -12.212 1.00100.00 H new ATOM 0 HA LYS A 116 19.714 38.350 -13.139 1.00100.00 H new ATOM 0 HB2 LYS A 116 17.784 36.486 -13.541 1.00100.00 H new ATOM 0 HB3 LYS A 116 19.233 36.300 -12.995 1.00100.00 H new ATOM 0 HG2 LYS A 116 17.902 37.443 -11.009 1.00100.00 H new ATOM 0 HG3 LYS A 116 16.935 36.354 -11.567 1.00100.00 H new ATOM 0 HD2 LYS A 116 18.044 34.752 -10.614 1.00100.00 H new ATOM 0 HD3 LYS A 116 19.403 35.268 -11.179 1.00100.00 H new ATOM 0 HE2 LYS A 116 19.752 35.481 -8.985 1.00100.00 H new ATOM 0 HE3 LYS A 116 19.320 36.933 -9.360 1.00100.00 H new ATOM 0 HZ1 LYS A 116 18.272 35.814 -7.491 1.00100.00 H new ATOM 0 HZ2 LYS A 116 17.473 36.721 -8.298 1.00100.00 H new ATOM 0 HZ3 LYS A 116 17.370 35.286 -8.501 1.00100.00 H new TER 865 LYS A 116 ATOM 866 N GLY B 1 46.150 69.417 9.421 1.00100.00 N ATOM 867 CA GLY B 1 47.277 69.664 10.289 1.00 20.32 C ATOM 868 C GLY B 1 48.244 68.484 10.430 1.00 36.95 C ATOM 869 O GLY B 1 48.519 67.724 9.496 1.00100.00 O ATOM 0 H1 GLY B 1 45.734 70.185 9.249 1.00100.00 H new ATOM 0 H2 GLY B 1 46.435 69.058 8.659 1.00100.00 H new ATOM 0 H3 GLY B 1 45.585 68.856 9.820 1.00100.00 H new ATOM 0 HA2 GLY B 1 47.767 70.430 9.953 1.00 20.32 H new ATOM 0 HA3 GLY B 1 46.946 69.903 11.169 1.00 20.32 H new ATOM 870 N ASP B 2 48.742 68.342 11.643 1.00 49.39 N ATOM 871 CA ASP B 2 49.719 67.307 11.986 1.00 42.12 C ATOM 872 C ASP B 2 49.250 65.936 12.440 1.00 84.07 C ATOM 873 O ASP B 2 48.728 65.795 13.545 1.00 43.60 O ATOM 874 CB ASP B 2 50.586 67.834 13.118 1.00 51.43 C ATOM 875 CG ASP B 2 52.021 67.440 13.003 1.00 43.55 C ATOM 876 OD1 ASP B 2 52.828 68.052 12.329 1.00100.00 O ATOM 877 OD2 ASP B 2 52.310 66.368 13.697 1.00 76.87 O ATOM 0 H ASP B 2 48.524 68.847 12.305 1.00 49.39 H new ATOM 0 HA ASP B 2 50.148 67.148 11.131 1.00 42.12 H new ATOM 0 HB2 ASP B 2 50.525 68.802 13.139 1.00 51.43 H new ATOM 0 HB3 ASP B 2 50.236 67.509 13.962 1.00 51.43 H new ATOM 878 N ALA B 3 49.495 64.917 11.603 1.00 23.60 N ATOM 879 CA ALA B 3 49.122 63.514 11.881 1.00 55.00 C ATOM 880 C ALA B 3 49.844 62.912 13.052 1.00 25.13 C ATOM 881 O ALA B 3 49.319 62.069 13.792 1.00 56.40 O ATOM 882 CB ALA B 3 49.399 62.642 10.674 1.00 32.49 C ATOM 0 H ALA B 3 49.889 65.021 10.845 1.00 23.60 H new ATOM 0 HA ALA B 3 48.176 63.542 12.093 1.00 55.00 H new ATOM 0 HB1 ALA B 3 49.149 61.726 10.872 1.00 32.49 H new ATOM 0 HB2 ALA B 3 48.882 62.961 9.918 1.00 32.49 H new ATOM 0 HB3 ALA B 3 50.344 62.679 10.457 1.00 32.49 H new ATOM 883 N ALA B 4 51.070 63.375 13.133 1.00 75.38 N ATOM 884 CA ALA B 4 52.051 63.054 14.100 1.00 30.05 C ATOM 885 C ALA B 4 51.465 63.355 15.419 1.00 39.16 C ATOM 886 O ALA B 4 51.437 62.545 16.341 1.00 35.32 O ATOM 887 CB ALA B 4 53.201 63.983 13.860 1.00 72.66 C ATOM 0 H ALA B 4 51.366 63.942 12.558 1.00 75.38 H new ATOM 0 HA ALA B 4 52.336 62.128 14.055 1.00 30.05 H new ATOM 0 HB1 ALA B 4 53.904 63.801 14.503 1.00 72.66 H new ATOM 0 HB2 ALA B 4 53.542 63.850 12.962 1.00 72.66 H new ATOM 0 HB3 ALA B 4 52.902 64.900 13.960 1.00 72.66 H new ATOM 888 N LYS B 5 50.975 64.555 15.489 1.00 32.49 N ATOM 889 CA LYS B 5 50.359 65.008 16.694 1.00 22.25 C ATOM 890 C LYS B 5 49.056 64.304 16.888 1.00 28.92 C ATOM 891 O LYS B 5 48.724 63.823 17.980 1.00 31.76 O ATOM 892 CB LYS B 5 50.040 66.489 16.585 1.00 42.35 C ATOM 893 CG LYS B 5 50.989 67.390 17.388 1.00100.00 C ATOM 894 CD LYS B 5 50.899 68.905 17.075 1.00100.00 C ATOM 895 CE LYS B 5 51.283 69.828 18.256 1.00100.00 C ATOM 896 NZ LYS B 5 51.145 71.273 17.961 1.00100.00 N ATOM 0 H LYS B 5 50.988 65.128 14.848 1.00 32.49 H new ATOM 0 HA LYS B 5 50.967 64.834 17.429 1.00 22.25 H new ATOM 0 HB2 LYS B 5 50.073 66.750 15.651 1.00 42.35 H new ATOM 0 HB3 LYS B 5 49.131 66.638 16.890 1.00 42.35 H new ATOM 0 HG2 LYS B 5 50.810 67.260 18.333 1.00100.00 H new ATOM 0 HG3 LYS B 5 51.900 67.097 17.229 1.00100.00 H new ATOM 0 HD2 LYS B 5 51.478 69.103 16.323 1.00100.00 H new ATOM 0 HD3 LYS B 5 49.993 69.113 16.798 1.00100.00 H new ATOM 0 HE2 LYS B 5 50.727 69.609 19.020 1.00100.00 H new ATOM 0 HE3 LYS B 5 52.201 69.646 18.512 1.00100.00 H new ATOM 0 HZ1 LYS B 5 51.380 71.746 18.677 1.00100.00 H new ATOM 0 HZ2 LYS B 5 51.673 71.488 17.277 1.00100.00 H new ATOM 0 HZ3 LYS B 5 50.299 71.454 17.751 1.00100.00 H new ATOM 897 N GLY B 6 48.315 64.297 15.774 1.00 32.63 N ATOM 898 CA GLY B 6 47.024 63.685 15.707 1.00 13.29 C ATOM 899 C GLY B 6 47.139 62.321 16.308 1.00 20.17 C ATOM 900 O GLY B 6 46.334 61.914 17.142 1.00 34.06 O ATOM 0 H GLY B 6 48.568 64.658 15.035 1.00 32.63 H new ATOM 0 HA2 GLY B 6 46.370 64.215 16.188 1.00 13.29 H new ATOM 0 HA3 GLY B 6 46.721 63.628 14.787 1.00 13.29 H new ATOM 901 N GLU B 7 48.185 61.615 15.882 1.00 28.32 N ATOM 902 CA GLU B 7 48.440 60.279 16.379 1.00 47.96 C ATOM 903 C GLU B 7 48.438 60.212 17.889 1.00 34.35 C ATOM 904 O GLU B 7 47.857 59.290 18.451 1.00 26.93 O ATOM 905 CB GLU B 7 49.634 59.548 15.709 1.00 19.94 C ATOM 906 CG GLU B 7 50.102 58.252 16.412 1.00 54.30 C ATOM 907 CD GLU B 7 51.031 57.471 15.522 1.00 31.33 C ATOM 908 OE1 GLU B 7 51.231 56.276 15.635 1.00100.00 O ATOM 909 OE2 GLU B 7 51.606 58.225 14.614 1.00100.00 O ATOM 0 H GLU B 7 48.756 61.898 15.304 1.00 28.32 H new ATOM 0 HA GLU B 7 47.677 59.754 16.090 1.00 47.96 H new ATOM 0 HB2 GLU B 7 49.389 59.331 14.796 1.00 19.94 H new ATOM 0 HB3 GLU B 7 50.384 60.161 15.664 1.00 19.94 H new ATOM 0 HG2 GLU B 7 50.552 58.473 17.242 1.00 54.30 H new ATOM 0 HG3 GLU B 7 49.333 57.707 16.642 1.00 54.30 H new ATOM 910 N LYS B 8 49.072 61.188 18.574 1.00 25.23 N ATOM 911 CA LYS B 8 49.016 61.104 20.019 1.00 25.31 C ATOM 912 C LYS B 8 47.667 61.531 20.458 1.00 37.75 C ATOM 913 O LYS B 8 47.165 61.033 21.450 1.00 31.36 O ATOM 914 CB LYS B 8 50.069 61.766 20.884 1.00 35.95 C ATOM 915 CG LYS B 8 51.432 61.931 20.250 1.00100.00 C ATOM 916 CD LYS B 8 52.351 62.700 21.223 1.00100.00 C ATOM 917 CE LYS B 8 53.880 62.543 21.056 1.00100.00 C ATOM 918 NZ LYS B 8 54.666 63.374 22.007 1.00100.00 N ATOM 0 H LYS B 8 49.504 61.852 18.239 1.00 25.23 H new ATOM 0 HA LYS B 8 49.227 60.170 20.174 1.00 25.31 H new ATOM 0 HB2 LYS B 8 49.745 62.642 21.146 1.00 35.95 H new ATOM 0 HB3 LYS B 8 50.170 61.246 21.697 1.00 35.95 H new ATOM 0 HG2 LYS B 8 51.813 61.063 20.045 1.00100.00 H new ATOM 0 HG3 LYS B 8 51.355 62.412 19.411 1.00100.00 H new ATOM 0 HD2 LYS B 8 52.139 63.644 21.148 1.00100.00 H new ATOM 0 HD3 LYS B 8 52.121 62.429 22.126 1.00100.00 H new ATOM 0 HE2 LYS B 8 54.118 61.611 21.178 1.00100.00 H new ATOM 0 HE3 LYS B 8 54.126 62.782 20.149 1.00100.00 H new ATOM 0 HZ1 LYS B 8 55.535 63.245 21.866 1.00100.00 H new ATOM 0 HZ2 LYS B 8 54.470 64.233 21.882 1.00100.00 H new ATOM 0 HZ3 LYS B 8 54.463 63.142 22.842 1.00100.00 H new ATOM 919 N GLU B 9 47.038 62.441 19.743 1.00 26.25 N ATOM 920 CA GLU B 9 45.719 62.844 20.182 1.00 27.89 C ATOM 921 C GLU B 9 44.714 61.668 20.166 1.00 50.83 C ATOM 922 O GLU B 9 43.775 61.586 20.972 1.00 27.20 O ATOM 923 CB GLU B 9 45.206 64.084 19.418 1.00 51.83 C ATOM 924 CG GLU B 9 45.988 65.397 19.715 1.00100.00 C ATOM 925 CD GLU B 9 45.771 66.034 21.082 1.00 58.88 C ATOM 926 OE1 GLU B 9 45.234 65.482 22.031 1.00 61.47 O ATOM 927 OE2 GLU B 9 46.322 67.226 21.160 1.00100.00 O ATOM 0 H GLU B 9 47.338 62.823 19.033 1.00 26.25 H new ATOM 0 HA GLU B 9 45.800 63.114 21.110 1.00 27.89 H new ATOM 0 HB2 GLU B 9 45.250 63.904 18.466 1.00 51.83 H new ATOM 0 HB3 GLU B 9 44.271 64.221 19.638 1.00 51.83 H new ATOM 0 HG2 GLU B 9 46.935 65.214 19.614 1.00100.00 H new ATOM 0 HG3 GLU B 9 45.752 66.049 19.037 1.00100.00 H new ATOM 928 N PHE B 10 44.930 60.759 19.242 1.00 15.57 N ATOM 929 CA PHE B 10 44.054 59.618 19.114 1.00 25.25 C ATOM 930 C PHE B 10 43.832 58.808 20.355 1.00 25.38 C ATOM 931 O PHE B 10 42.829 58.110 20.510 1.00 26.33 O ATOM 932 CB PHE B 10 44.457 58.685 18.008 1.00 22.26 C ATOM 933 CG PHE B 10 43.240 57.916 17.623 1.00 81.59 C ATOM 934 CD1 PHE B 10 42.311 58.493 16.762 1.00 23.97 C ATOM 935 CD2 PHE B 10 42.994 56.634 18.122 1.00 27.63 C ATOM 936 CE1 PHE B 10 41.160 57.799 16.394 1.00 43.37 C ATOM 937 CE2 PHE B 10 41.850 55.922 17.764 1.00 27.05 C ATOM 938 CZ PHE B 10 40.936 56.515 16.894 1.00 24.76 C ATOM 0 H PHE B 10 45.579 60.783 18.678 1.00 15.57 H new ATOM 0 HA PHE B 10 43.211 60.049 18.905 1.00 25.25 H new ATOM 0 HB2 PHE B 10 44.804 59.181 17.250 1.00 22.26 H new ATOM 0 HB3 PHE B 10 45.162 58.087 18.303 1.00 22.26 H new ATOM 0 HD1 PHE B 10 42.460 59.349 16.430 1.00 23.97 H new ATOM 0 HD2 PHE B 10 43.607 56.248 18.705 1.00 27.63 H new ATOM 0 HE1 PHE B 10 40.544 58.190 15.818 1.00 43.37 H new ATOM 0 HE2 PHE B 10 41.699 55.068 18.099 1.00 27.05 H new ATOM 0 HZ PHE B 10 40.170 56.051 16.644 1.00 24.76 H new ATOM 939 N ASN B 11 44.784 58.903 21.213 1.00 21.08 N ATOM 940 CA ASN B 11 44.788 58.209 22.443 1.00 33.18 C ATOM 941 C ASN B 11 43.547 58.501 23.332 1.00 18.83 C ATOM 942 O ASN B 11 43.172 57.683 24.170 1.00 40.03 O ATOM 943 CB ASN B 11 46.179 58.445 23.082 1.00 37.78 C ATOM 944 CG ASN B 11 47.219 57.415 22.604 1.00 81.71 C ATOM 945 OD1 ASN B 11 48.119 57.694 21.788 1.00100.00 O ATOM 946 ND2 ASN B 11 47.060 56.198 23.105 1.00100.00 N ATOM 0 H ASN B 11 45.479 59.395 21.092 1.00 21.08 H new ATOM 0 HA ASN B 11 44.677 57.254 22.313 1.00 33.18 H new ATOM 0 HB2 ASN B 11 46.487 59.339 22.863 1.00 37.78 H new ATOM 0 HB3 ASN B 11 46.102 58.400 24.048 1.00 37.78 H new ATOM 0 HD21 ASN B 11 47.590 55.563 22.869 1.00100.00 H new ATOM 0 HD22 ASN B 11 46.427 56.043 23.666 1.00100.00 H new ATOM 947 N LYS B 12 42.894 59.656 23.153 1.00 31.52 N ATOM 948 CA LYS B 12 41.719 59.913 23.965 1.00 31.98 C ATOM 949 C LYS B 12 40.488 59.321 23.290 1.00 25.71 C ATOM 950 O LYS B 12 39.557 58.866 23.938 1.00 54.03 O ATOM 951 CB LYS B 12 41.633 61.253 24.704 1.00 60.85 C ATOM 952 CG LYS B 12 42.638 62.244 24.135 1.00 54.01 C ATOM 953 CD LYS B 12 42.496 63.700 24.592 1.00100.00 C ATOM 954 CE LYS B 12 43.785 64.502 24.368 1.00 36.12 C ATOM 955 NZ LYS B 12 43.623 65.954 24.551 1.00100.00 N ATOM 0 H LYS B 12 43.108 60.272 22.592 1.00 31.52 H new ATOM 0 HA LYS B 12 41.806 59.420 24.796 1.00 31.98 H new ATOM 0 HB2 LYS B 12 40.736 61.614 24.626 1.00 60.85 H new ATOM 0 HB3 LYS B 12 41.804 61.118 25.649 1.00 60.85 H new ATOM 0 HG2 LYS B 12 43.529 61.939 24.366 1.00 54.01 H new ATOM 0 HG3 LYS B 12 42.572 62.222 23.167 1.00 54.01 H new ATOM 0 HD2 LYS B 12 41.767 64.120 24.109 1.00100.00 H new ATOM 0 HD3 LYS B 12 42.262 63.721 25.533 1.00100.00 H new ATOM 0 HE2 LYS B 12 44.465 64.182 24.981 1.00 36.12 H new ATOM 0 HE3 LYS B 12 44.109 64.332 23.470 1.00 36.12 H new ATOM 0 HZ1 LYS B 12 44.029 66.384 23.886 1.00100.00 H new ATOM 0 HZ2 LYS B 12 42.757 66.159 24.552 1.00100.00 H new ATOM 0 HZ3 LYS B 12 43.986 66.198 25.326 1.00100.00 H new ATOM 956 N CYS B 13 40.555 59.212 21.967 1.00 29.69 N ATOM 957 CA CYS B 13 39.484 58.599 21.203 1.00 34.87 C ATOM 958 C CYS B 13 39.460 57.079 21.429 1.00 15.45 C ATOM 959 O CYS B 13 38.413 56.424 21.381 1.00 28.12 O ATOM 960 CB CYS B 13 39.779 58.804 19.712 1.00 15.16 C ATOM 961 SG CYS B 13 40.276 60.496 19.323 1.00 24.36 S ATOM 0 H CYS B 13 41.217 59.489 21.494 1.00 29.69 H new ATOM 0 HA CYS B 13 38.643 58.997 21.478 1.00 34.87 H new ATOM 0 HB2 CYS B 13 40.482 58.194 19.439 1.00 15.16 H new ATOM 0 HB3 CYS B 13 38.990 58.576 19.196 1.00 15.16 H new ATOM 962 N LYS B 14 40.652 56.546 21.601 1.00 29.11 N ATOM 963 CA LYS B 14 40.854 55.143 21.774 1.00 13.22 C ATOM 964 C LYS B 14 40.054 54.486 22.896 1.00 25.41 C ATOM 965 O LYS B 14 39.804 53.282 22.914 1.00 21.23 O ATOM 966 CB LYS B 14 42.279 54.774 21.488 1.00 21.62 C ATOM 967 CG LYS B 14 42.912 53.715 22.308 1.00 25.32 C ATOM 968 CD LYS B 14 44.389 54.034 22.366 1.00 25.90 C ATOM 969 CE LYS B 14 45.214 52.953 23.018 1.00100.00 C ATOM 970 NZ LYS B 14 46.348 52.477 22.203 1.00100.00 N ATOM 0 H LYS B 14 41.378 57.007 21.620 1.00 29.11 H new ATOM 0 HA LYS B 14 40.390 54.644 21.084 1.00 13.22 H new ATOM 0 HB2 LYS B 14 42.332 54.499 20.559 1.00 21.62 H new ATOM 0 HB3 LYS B 14 42.816 55.577 21.578 1.00 21.62 H new ATOM 0 HG2 LYS B 14 42.529 53.694 23.199 1.00 25.32 H new ATOM 0 HG3 LYS B 14 42.764 52.841 21.915 1.00 25.32 H new ATOM 0 HD2 LYS B 14 44.716 54.181 21.465 1.00 25.90 H new ATOM 0 HD3 LYS B 14 44.514 54.864 22.852 1.00 25.90 H new ATOM 0 HE2 LYS B 14 45.554 53.286 23.863 1.00100.00 H new ATOM 0 HE3 LYS B 14 44.638 52.200 23.222 1.00100.00 H new ATOM 0 HZ1 LYS B 14 46.788 51.844 22.647 1.00100.00 H new ATOM 0 HZ2 LYS B 14 46.043 52.144 21.436 1.00100.00 H new ATOM 0 HZ3 LYS B 14 46.898 53.156 22.033 1.00100.00 H new ATOM 971 N THR B 15 39.625 55.325 23.804 1.00 31.56 N ATOM 972 CA THR B 15 38.826 54.921 24.912 1.00 23.97 C ATOM 973 C THR B 15 37.508 54.346 24.371 1.00 53.46 C ATOM 974 O THR B 15 36.871 53.524 25.018 1.00 19.64 O ATOM 975 CB THR B 15 38.588 56.196 25.758 1.00 18.80 C ATOM 976 OG1 THR B 15 39.808 56.595 26.336 1.00 24.90 O ATOM 977 CG2 THR B 15 37.571 55.966 26.858 1.00 21.29 C ATOM 0 H THR B 15 39.798 56.167 23.788 1.00 31.56 H new ATOM 0 HA THR B 15 39.247 54.237 25.457 1.00 23.97 H new ATOM 0 HB THR B 15 38.240 56.885 25.170 1.00 18.80 H new ATOM 0 HG1 THR B 15 39.687 57.288 26.796 1.00 24.90 H new ATOM 0 HG21 THR B 15 37.450 56.785 27.364 1.00 21.29 H new ATOM 0 HG22 THR B 15 36.724 55.701 26.466 1.00 21.29 H new ATOM 0 HG23 THR B 15 37.887 55.265 27.449 1.00 21.29 H new ATOM 978 N CYS B 16 37.100 54.776 23.163 1.00 24.18 N ATOM 979 CA CYS B 16 35.846 54.287 22.604 1.00 26.00 C ATOM 980 C CYS B 16 35.886 53.739 21.199 1.00 13.21 C ATOM 981 O CYS B 16 35.026 52.951 20.801 1.00 25.40 O ATOM 982 CB CYS B 16 34.774 55.384 22.699 1.00 26.92 C ATOM 983 SG CYS B 16 33.883 55.332 24.270 1.00 45.79 S ATOM 0 H CYS B 16 37.528 55.336 22.670 1.00 24.18 H new ATOM 0 HA CYS B 16 35.633 53.515 23.151 1.00 26.00 H new ATOM 0 HB2 CYS B 16 35.192 56.253 22.595 1.00 26.92 H new ATOM 0 HB3 CYS B 16 34.144 55.283 21.968 1.00 26.92 H new ATOM 0 HG CYS B 16 34.571 54.811 25.104 1.00 45.79 H new ATOM 984 N HIS B 17 36.869 54.170 20.458 1.00 16.64 N ATOM 985 CA HIS B 17 36.994 53.762 19.093 1.00 16.24 C ATOM 986 C HIS B 17 38.251 52.982 18.762 1.00 32.71 C ATOM 987 O HIS B 17 39.250 53.044 19.470 1.00 17.74 O ATOM 988 CB HIS B 17 37.118 55.063 18.246 1.00 15.14 C ATOM 989 CG HIS B 17 35.933 56.014 18.123 1.00 17.37 C ATOM 990 ND1 HIS B 17 34.932 55.798 17.189 1.00 14.13 N ATOM 991 CD2 HIS B 17 35.632 57.187 18.781 1.00 28.85 C ATOM 992 CE1 HIS B 17 34.057 56.801 17.303 1.00 28.94 C ATOM 993 NE2 HIS B 17 34.443 57.654 18.247 1.00 15.82 N ATOM 0 H HIS B 17 37.483 54.707 20.731 1.00 16.64 H new ATOM 0 HA HIS B 17 36.227 53.196 18.913 1.00 16.24 H new ATOM 0 HB2 HIS B 17 37.859 55.573 18.609 1.00 15.14 H new ATOM 0 HB3 HIS B 17 37.369 54.798 17.347 1.00 15.14 H new ATOM 0 HD1 HIS B 17 34.883 55.140 16.638 1.00 14.13 H new ATOM 0 HD2 HIS B 17 36.132 57.588 19.455 1.00 28.85 H new ATOM 0 HE1 HIS B 17 33.285 56.890 16.793 1.00 28.94 H new ATOM 994 N SER B 18 38.194 52.274 17.637 1.00 35.34 N ATOM 995 CA SER B 18 39.325 51.517 17.144 1.00 26.73 C ATOM 996 C SER B 18 39.593 51.973 15.725 1.00 20.12 C ATOM 997 O SER B 18 38.860 52.791 15.167 1.00 15.11 O ATOM 998 CB SER B 18 39.111 50.008 17.138 1.00 6.75 C ATOM 999 OG SER B 18 39.009 49.519 18.455 1.00 65.58 O ATOM 0 H SER B 18 37.493 52.223 17.141 1.00 35.34 H new ATOM 0 HA SER B 18 40.069 51.683 17.744 1.00 26.73 H new ATOM 0 HB2 SER B 18 38.305 49.792 16.644 1.00 6.75 H new ATOM 0 HB3 SER B 18 39.848 49.573 16.682 1.00 6.75 H new ATOM 0 HG SER B 18 38.258 49.722 18.772 1.00 65.58 H new ATOM 1000 N ILE B 19 40.644 51.425 15.156 1.00 19.55 N ATOM 1001 CA ILE B 19 41.064 51.687 13.802 1.00 10.83 C ATOM 1002 C ILE B 19 41.551 50.369 13.263 1.00 13.50 C ATOM 1003 O ILE B 19 42.720 50.020 13.397 1.00 25.66 O ATOM 1004 CB ILE B 19 42.113 52.773 13.679 1.00 4.17 C ATOM 1005 CG1 ILE B 19 41.610 54.014 14.395 1.00 16.30 C ATOM 1006 CG2 ILE B 19 42.348 53.088 12.203 1.00 6.53 C ATOM 1007 CD1 ILE B 19 42.572 55.187 14.295 1.00 14.09 C ATOM 0 H ILE B 19 41.154 50.866 15.566 1.00 19.55 H new ATOM 0 HA ILE B 19 40.319 52.037 13.288 1.00 10.83 H new ATOM 0 HB ILE B 19 42.948 52.479 14.076 1.00 4.17 H new ATOM 0 HG12 ILE B 19 40.753 54.272 14.021 1.00 16.30 H new ATOM 0 HG13 ILE B 19 41.460 53.804 15.330 1.00 16.30 H new ATOM 0 HG21 ILE B 19 43.020 53.783 12.123 1.00 6.53 H new ATOM 0 HG22 ILE B 19 42.655 52.289 11.746 1.00 6.53 H new ATOM 0 HG23 ILE B 19 41.519 53.392 11.801 1.00 6.53 H new ATOM 0 HD11 ILE B 19 42.203 55.950 14.767 1.00 14.09 H new ATOM 0 HD12 ILE B 19 43.423 54.943 14.691 1.00 14.09 H new ATOM 0 HD13 ILE B 19 42.705 55.418 13.362 1.00 14.09 H new ATOM 1008 N ILE B 20 40.626 49.627 12.670 1.00 12.23 N ATOM 1009 CA ILE B 20 40.898 48.308 12.129 1.00 16.16 C ATOM 1010 C ILE B 20 40.712 48.179 10.594 1.00 12.07 C ATOM 1011 O ILE B 20 39.596 48.323 10.121 1.00 28.19 O ATOM 1012 CB ILE B 20 39.918 47.365 12.809 1.00 27.72 C ATOM 1013 CG1 ILE B 20 40.023 47.412 14.322 1.00 13.96 C ATOM 1014 CG2 ILE B 20 40.145 45.944 12.333 1.00 12.64 C ATOM 1015 CD1 ILE B 20 39.212 46.283 14.949 1.00100.00 C ATOM 0 H ILE B 20 39.811 49.881 12.570 1.00 12.23 H new ATOM 0 HA ILE B 20 41.832 48.106 12.295 1.00 16.16 H new ATOM 0 HB ILE B 20 39.027 47.661 12.566 1.00 27.72 H new ATOM 0 HG12 ILE B 20 40.952 47.337 14.590 1.00 13.96 H new ATOM 0 HG13 ILE B 20 39.702 48.268 14.648 1.00 13.96 H new ATOM 0 HG21 ILE B 20 39.516 45.351 12.772 1.00 12.64 H new ATOM 0 HG22 ILE B 20 40.015 45.899 11.373 1.00 12.64 H new ATOM 0 HG23 ILE B 20 41.050 45.671 12.549 1.00 12.64 H new ATOM 0 HD11 ILE B 20 39.289 46.327 15.915 1.00100.00 H new ATOM 0 HD12 ILE B 20 38.280 46.374 14.695 1.00100.00 H new ATOM 0 HD13 ILE B 20 39.550 45.429 14.636 1.00100.00 H new ATOM 1016 N ALA B 21 41.779 47.883 9.797 1.00 23.79 N ATOM 1017 CA ALA B 21 41.645 47.748 8.303 1.00 5.54 C ATOM 1018 C ALA B 21 40.594 46.729 7.817 1.00 19.17 C ATOM 1019 O ALA B 21 40.120 45.914 8.595 1.00 18.32 O ATOM 1020 CB ALA B 21 42.979 47.532 7.612 1.00 20.97 C ATOM 0 H ALA B 21 42.577 47.758 10.093 1.00 23.79 H new ATOM 0 HA ALA B 21 41.298 48.613 8.034 1.00 5.54 H new ATOM 0 HB1 ALA B 21 42.839 47.452 6.656 1.00 20.97 H new ATOM 0 HB2 ALA B 21 43.562 48.286 7.791 1.00 20.97 H new ATOM 0 HB3 ALA B 21 43.390 46.720 7.948 1.00 20.97 H new ATOM 1021 N PRO B 22 40.205 46.752 6.527 1.00 21.99 N ATOM 1022 CA PRO B 22 39.196 45.781 6.127 1.00 1.00 C ATOM 1023 C PRO B 22 39.541 44.346 6.308 1.00 11.61 C ATOM 1024 O PRO B 22 38.686 43.515 6.619 1.00 16.07 O ATOM 1025 CB PRO B 22 38.736 46.086 4.717 1.00 5.92 C ATOM 1026 CG PRO B 22 39.196 47.503 4.452 1.00 3.24 C ATOM 1027 CD PRO B 22 40.260 47.837 5.507 1.00 5.01 C ATOM 0 HA PRO B 22 38.466 45.895 6.756 1.00 1.00 H new ATOM 0 HB2 PRO B 22 39.123 45.466 4.079 1.00 5.92 H new ATOM 0 HB3 PRO B 22 37.772 46.009 4.638 1.00 5.92 H new ATOM 0 HG2 PRO B 22 39.563 47.583 3.558 1.00 3.24 H new ATOM 0 HG3 PRO B 22 38.451 48.122 4.509 1.00 3.24 H new ATOM 0 HD2 PRO B 22 41.141 47.887 5.104 1.00 5.01 H new ATOM 0 HD3 PRO B 22 40.084 48.700 5.912 1.00 5.01 H new ATOM 1028 N ASP B 23 40.789 44.054 6.109 1.00 20.39 N ATOM 1029 CA ASP B 23 41.223 42.707 6.257 1.00 6.38 C ATOM 1030 C ASP B 23 41.330 42.311 7.694 1.00 12.16 C ATOM 1031 O ASP B 23 41.604 41.153 8.012 1.00 12.44 O ATOM 1032 CB ASP B 23 42.574 42.485 5.611 1.00 25.23 C ATOM 1033 CG ASP B 23 43.738 43.048 6.385 1.00 2.80 C ATOM 1034 OD1 ASP B 23 44.881 42.880 6.015 1.00 37.73 O ATOM 1035 OD2 ASP B 23 43.406 43.814 7.398 1.00 35.58 O ATOM 0 H ASP B 23 41.400 44.618 5.888 1.00 20.39 H new ATOM 0 HA ASP B 23 40.551 42.162 5.818 1.00 6.38 H new ATOM 0 HB2 ASP B 23 42.710 41.532 5.492 1.00 25.23 H new ATOM 0 HB3 ASP B 23 42.566 42.883 4.726 1.00 25.23 H new ATOM 1036 N GLY B 24 41.147 43.259 8.580 1.00 31.87 N ATOM 1037 CA GLY B 24 41.245 42.898 9.967 1.00 4.74 C ATOM 1038 C GLY B 24 42.503 43.348 10.701 1.00 11.83 C ATOM 1039 O GLY B 24 42.614 43.142 11.902 1.00 17.34 O ATOM 0 H GLY B 24 40.972 44.084 8.411 1.00 31.87 H new ATOM 0 HA2 GLY B 24 40.476 43.264 10.431 1.00 4.74 H new ATOM 0 HA3 GLY B 24 41.184 41.932 10.034 1.00 4.74 H new ATOM 1040 N THR B 25 43.431 43.959 10.026 1.00 23.85 N ATOM 1041 CA THR B 25 44.612 44.403 10.706 1.00 9.26 C ATOM 1042 C THR B 25 44.267 45.584 11.640 1.00 14.06 C ATOM 1043 O THR B 25 43.694 46.579 11.207 1.00 24.10 O ATOM 1044 CB THR B 25 45.602 44.821 9.623 1.00 19.58 C ATOM 1045 OG1 THR B 25 45.852 43.742 8.739 1.00 15.63 O ATOM 1046 CG2 THR B 25 46.898 45.311 10.241 1.00 9.85 C ATOM 0 H THR B 25 43.402 44.127 9.183 1.00 23.85 H new ATOM 0 HA THR B 25 44.994 43.705 11.261 1.00 9.26 H new ATOM 0 HB THR B 25 45.211 45.551 9.118 1.00 19.58 H new ATOM 0 HG1 THR B 25 46.397 43.985 8.147 1.00 15.63 H new ATOM 0 HG21 THR B 25 47.514 45.572 9.538 1.00 9.85 H new ATOM 0 HG22 THR B 25 46.717 46.075 10.811 1.00 9.85 H new ATOM 0 HG23 THR B 25 47.294 44.600 10.770 1.00 9.85 H new ATOM 1047 N GLU B 26 44.616 45.435 12.911 1.00 26.84 N ATOM 1048 CA GLU B 26 44.397 46.388 13.972 1.00 22.86 C ATOM 1049 C GLU B 26 45.417 47.480 13.972 1.00 12.82 C ATOM 1050 O GLU B 26 46.514 47.299 14.496 1.00 29.84 O ATOM 1051 CB GLU B 26 44.580 45.630 15.263 1.00 13.41 C ATOM 1052 CG GLU B 26 43.221 45.240 15.759 1.00 49.70 C ATOM 1053 CD GLU B 26 43.160 44.092 16.684 1.00 53.43 C ATOM 1054 OE1 GLU B 26 43.796 43.061 16.547 1.00100.00 O ATOM 1055 OE2 GLU B 26 42.217 44.276 17.567 1.00100.00 O ATOM 0 H GLU B 26 45.013 44.725 13.189 1.00 26.84 H new ATOM 0 HA GLU B 26 43.519 46.785 13.861 1.00 22.86 H new ATOM 0 HB2 GLU B 26 45.129 44.843 15.121 1.00 13.41 H new ATOM 0 HB3 GLU B 26 45.037 46.180 15.919 1.00 13.41 H new ATOM 0 HG2 GLU B 26 42.828 46.008 16.203 1.00 49.70 H new ATOM 0 HG3 GLU B 26 42.664 45.040 14.991 1.00 49.70 H new ATOM 1056 N ILE B 27 45.089 48.608 13.410 1.00 25.12 N ATOM 1057 CA ILE B 27 46.046 49.673 13.403 1.00 8.31 C ATOM 1058 C ILE B 27 46.059 50.332 14.773 1.00 34.11 C ATOM 1059 O ILE B 27 47.079 50.819 15.252 1.00 24.09 O ATOM 1060 CB ILE B 27 45.728 50.642 12.278 1.00 37.22 C ATOM 1061 CG1 ILE B 27 45.583 49.916 10.938 1.00 8.32 C ATOM 1062 CG2 ILE B 27 46.764 51.744 12.192 1.00 34.05 C ATOM 1063 CD1 ILE B 27 46.918 49.629 10.264 1.00100.00 C ATOM 0 H ILE B 27 44.335 48.778 13.034 1.00 25.12 H new ATOM 0 HA ILE B 27 46.940 49.336 13.233 1.00 8.31 H new ATOM 0 HB ILE B 27 44.874 51.054 12.482 1.00 37.22 H new ATOM 0 HG12 ILE B 27 45.112 49.080 11.079 1.00 8.32 H new ATOM 0 HG13 ILE B 27 45.036 50.453 10.343 1.00 8.32 H new ATOM 0 HG21 ILE B 27 46.536 52.347 11.467 1.00 34.05 H new ATOM 0 HG22 ILE B 27 46.783 52.237 13.027 1.00 34.05 H new ATOM 0 HG23 ILE B 27 47.637 51.355 12.027 1.00 34.05 H new ATOM 0 HD11 ILE B 27 46.764 49.170 9.423 1.00100.00 H new ATOM 0 HD12 ILE B 27 47.382 50.464 10.096 1.00100.00 H new ATOM 0 HD13 ILE B 27 47.459 49.070 10.843 1.00100.00 H new ATOM 1064 N VAL B 28 44.913 50.325 15.402 1.00 26.75 N ATOM 1065 CA VAL B 28 44.804 50.887 16.714 1.00 10.73 C ATOM 1066 C VAL B 28 43.809 50.053 17.467 1.00 19.70 C ATOM 1067 O VAL B 28 42.638 50.070 17.127 1.00 17.11 O ATOM 1068 CB VAL B 28 44.421 52.367 16.741 1.00 19.26 C ATOM 1069 CG1 VAL B 28 44.345 52.835 18.194 1.00 12.63 C ATOM 1070 CG2 VAL B 28 45.452 53.195 15.983 1.00 8.42 C ATOM 0 H VAL B 28 44.184 49.998 15.085 1.00 26.75 H new ATOM 0 HA VAL B 28 45.680 50.866 17.130 1.00 10.73 H new ATOM 0 HB VAL B 28 43.559 52.484 16.313 1.00 19.26 H new ATOM 0 HG11 VAL B 28 44.102 53.774 18.220 1.00 12.63 H new ATOM 0 HG12 VAL B 28 43.676 52.316 18.667 1.00 12.63 H new ATOM 0 HG13 VAL B 28 45.208 52.713 18.619 1.00 12.63 H new ATOM 0 HG21 VAL B 28 45.197 54.131 16.008 1.00 8.42 H new ATOM 0 HG22 VAL B 28 46.322 53.086 16.397 1.00 8.42 H new ATOM 0 HG23 VAL B 28 45.493 52.896 15.061 1.00 8.42 H new ATOM 1071 N LYS B 29 44.214 49.301 18.461 1.00 11.68 N ATOM 1072 CA LYS B 29 43.224 48.502 19.165 1.00 42.75 C ATOM 1073 C LYS B 29 42.481 49.412 20.146 1.00 19.81 C ATOM 1074 O LYS B 29 43.124 50.033 20.975 1.00 55.16 O ATOM 1075 CB LYS B 29 43.960 47.409 19.923 1.00 39.08 C ATOM 1076 CG LYS B 29 43.606 45.969 19.528 1.00100.00 C ATOM 1077 CD LYS B 29 43.741 45.018 20.738 1.00100.00 C ATOM 1078 CE LYS B 29 43.857 43.500 20.460 1.00100.00 C ATOM 1079 NZ LYS B 29 44.629 42.751 21.486 1.00100.00 N ATOM 0 H LYS B 29 45.024 49.233 18.742 1.00 11.68 H new ATOM 0 HA LYS B 29 42.587 48.104 18.551 1.00 42.75 H new ATOM 0 HB2 LYS B 29 44.913 47.536 19.796 1.00 39.08 H new ATOM 0 HB3 LYS B 29 43.783 47.520 20.870 1.00 39.08 H new ATOM 0 HG2 LYS B 29 42.699 45.937 19.186 1.00100.00 H new ATOM 0 HG3 LYS B 29 44.190 45.673 18.812 1.00100.00 H new ATOM 0 HD2 LYS B 29 44.524 45.288 21.242 1.00100.00 H new ATOM 0 HD3 LYS B 29 42.972 45.157 21.312 1.00100.00 H new ATOM 0 HE2 LYS B 29 42.965 43.123 20.401 1.00100.00 H new ATOM 0 HE3 LYS B 29 44.277 43.371 19.595 1.00100.00 H new ATOM 0 HZ1 LYS B 29 44.657 41.889 21.266 1.00100.00 H new ATOM 0 HZ2 LYS B 29 45.458 43.073 21.528 1.00100.00 H new ATOM 0 HZ3 LYS B 29 44.235 42.842 22.279 1.00100.00 H new ATOM 1080 N GLY B 30 41.186 49.547 20.103 1.00 34.33 N ATOM 1081 CA GLY B 30 40.612 50.444 21.092 1.00 12.02 C ATOM 1082 C GLY B 30 39.337 49.840 21.552 1.00 14.52 C ATOM 1083 O GLY B 30 39.243 48.618 21.623 1.00 26.83 O ATOM 0 H GLY B 30 40.643 49.165 19.556 1.00 34.33 H new ATOM 0 HA2 GLY B 30 41.221 50.565 21.837 1.00 12.02 H new ATOM 0 HA3 GLY B 30 40.456 51.321 20.708 1.00 12.02 H new ATOM 1084 N ALA B 31 38.340 50.643 21.853 1.00 28.38 N ATOM 1085 CA ALA B 31 37.097 50.057 22.260 1.00 12.20 C ATOM 1086 C ALA B 31 36.219 49.831 21.039 1.00 18.33 C ATOM 1087 O ALA B 31 36.631 49.986 19.878 1.00 26.28 O ATOM 1088 CB ALA B 31 36.387 50.907 23.299 1.00 38.73 C ATOM 0 H ALA B 31 38.362 51.502 21.829 1.00 28.38 H new ATOM 0 HA ALA B 31 37.282 49.202 22.680 1.00 12.20 H new ATOM 0 HB1 ALA B 31 35.552 50.481 23.550 1.00 38.73 H new ATOM 0 HB2 ALA B 31 36.951 50.999 24.083 1.00 38.73 H new ATOM 0 HB3 ALA B 31 36.203 51.784 22.929 1.00 38.73 H new ATOM 1089 N LYS B 32 35.009 49.467 21.343 1.00 20.44 N ATOM 1090 CA LYS B 32 34.029 49.198 20.364 1.00 17.17 C ATOM 1091 C LYS B 32 32.784 49.940 20.697 1.00 9.22 C ATOM 1092 O LYS B 32 31.725 49.686 20.142 1.00 29.86 O ATOM 1093 CB LYS B 32 33.704 47.744 20.428 1.00 10.67 C ATOM 1094 CG LYS B 32 34.488 46.976 19.414 1.00 24.08 C ATOM 1095 CD LYS B 32 34.618 45.503 19.741 1.00100.00 C ATOM 1096 CE LYS B 32 35.759 44.839 18.971 1.00100.00 C ATOM 1097 NZ LYS B 32 35.993 43.422 19.332 1.00100.00 N ATOM 0 H LYS B 32 34.732 49.368 22.151 1.00 20.44 H new ATOM 0 HA LYS B 32 34.357 49.458 19.489 1.00 17.17 H new ATOM 0 HB2 LYS B 32 33.897 47.405 21.316 1.00 10.67 H new ATOM 0 HB3 LYS B 32 32.755 47.614 20.275 1.00 10.67 H new ATOM 0 HG2 LYS B 32 34.063 47.071 18.547 1.00 24.08 H new ATOM 0 HG3 LYS B 32 35.374 47.363 19.340 1.00 24.08 H new ATOM 0 HD2 LYS B 32 34.768 45.397 20.693 1.00100.00 H new ATOM 0 HD3 LYS B 32 33.785 45.052 19.533 1.00100.00 H new ATOM 0 HE2 LYS B 32 35.569 44.893 18.021 1.00100.00 H new ATOM 0 HE3 LYS B 32 36.575 45.340 19.126 1.00100.00 H new ATOM 0 HZ1 LYS B 32 36.667 43.100 18.849 1.00100.00 H new ATOM 0 HZ2 LYS B 32 36.195 43.365 20.197 1.00100.00 H new ATOM 0 HZ3 LYS B 32 35.258 42.948 19.168 1.00100.00 H new ATOM 1098 N THR B 33 32.900 50.843 21.613 1.00 29.61 N ATOM 1099 CA THR B 33 31.791 51.630 22.061 1.00 25.67 C ATOM 1100 C THR B 33 31.321 52.648 20.979 1.00 28.66 C ATOM 1101 O THR B 33 30.140 52.999 20.863 1.00 18.14 O ATOM 1102 CB THR B 33 32.336 52.294 23.316 1.00 24.46 C ATOM 1103 OG1 THR B 33 32.297 51.392 24.406 1.00 31.45 O ATOM 1104 CG2 THR B 33 31.549 53.535 23.640 1.00 14.46 C ATOM 0 H THR B 33 33.642 51.027 22.007 1.00 29.61 H new ATOM 0 HA THR B 33 30.991 51.110 22.236 1.00 25.67 H new ATOM 0 HB THR B 33 33.258 52.547 23.153 1.00 24.46 H new ATOM 0 HG1 THR B 33 32.880 51.609 24.971 1.00 31.45 H new ATOM 0 HG21 THR B 33 31.908 53.946 24.442 1.00 14.46 H new ATOM 0 HG22 THR B 33 31.611 54.160 22.901 1.00 14.46 H new ATOM 0 HG23 THR B 33 30.619 53.300 23.787 1.00 14.46 H new ATOM 1105 N GLY B 34 32.329 53.090 20.207 1.00 17.40 N ATOM 1106 CA GLY B 34 32.268 54.029 19.086 1.00 11.67 C ATOM 1107 C GLY B 34 32.549 53.233 17.811 1.00 51.00 C ATOM 1108 O GLY B 34 33.084 52.124 17.889 1.00 18.41 O ATOM 0 H GLY B 34 33.134 52.820 20.344 1.00 17.40 H new ATOM 0 HA2 GLY B 34 31.396 54.451 19.040 1.00 11.67 H new ATOM 0 HA3 GLY B 34 32.921 54.738 19.198 1.00 11.67 H new ATOM 1109 N PRO B 35 32.199 53.745 16.636 1.00 10.41 N ATOM 1110 CA PRO B 35 32.467 52.906 15.481 1.00 30.14 C ATOM 1111 C PRO B 35 33.923 52.885 15.053 1.00 20.98 C ATOM 1112 O PRO B 35 34.714 53.729 15.454 1.00 22.49 O ATOM 1113 CB PRO B 35 31.625 53.462 14.331 1.00 11.25 C ATOM 1114 CG PRO B 35 31.146 54.845 14.741 1.00 1.94 C ATOM 1115 CD PRO B 35 31.446 54.982 16.231 1.00 31.05 C ATOM 0 HA PRO B 35 32.246 51.991 15.716 1.00 30.14 H new ATOM 0 HB2 PRO B 35 32.150 53.510 13.517 1.00 11.25 H new ATOM 0 HB3 PRO B 35 30.871 52.880 14.148 1.00 11.25 H new ATOM 0 HG2 PRO B 35 31.602 55.533 14.232 1.00 1.94 H new ATOM 0 HG3 PRO B 35 30.197 54.947 14.569 1.00 1.94 H new ATOM 0 HD2 PRO B 35 31.973 55.778 16.404 1.00 31.05 H new ATOM 0 HD3 PRO B 35 30.625 55.068 16.741 1.00 31.05 H new ATOM 1116 N ASN B 36 34.267 51.909 14.216 1.00 14.48 N ATOM 1117 CA ASN B 36 35.610 51.803 13.704 1.00 1.00 C ATOM 1118 C ASN B 36 35.844 53.084 12.927 1.00 10.98 C ATOM 1119 O ASN B 36 34.987 53.509 12.150 1.00 21.26 O ATOM 1120 CB ASN B 36 35.670 50.604 12.740 1.00 2.44 C ATOM 1121 CG ASN B 36 37.000 50.363 12.054 1.00 16.98 C ATOM 1122 OD1 ASN B 36 37.103 49.477 11.191 1.00 19.48 O ATOM 1123 ND2 ASN B 36 38.011 51.153 12.410 1.00 12.28 N ATOM 0 H ASN B 36 33.728 51.300 13.937 1.00 14.48 H new ATOM 0 HA ASN B 36 36.270 51.678 14.404 1.00 1.00 H new ATOM 0 HB2 ASN B 36 35.432 49.804 13.234 1.00 2.44 H new ATOM 0 HB3 ASN B 36 34.993 50.728 12.057 1.00 2.44 H new ATOM 0 HD21 ASN B 36 38.780 51.062 12.037 1.00 12.28 H new ATOM 0 HD22 ASN B 36 37.895 51.755 13.013 1.00 12.28 H new ATOM 1124 N LEU B 37 36.989 53.710 13.137 1.00 21.60 N ATOM 1125 CA LEU B 37 37.274 54.948 12.437 1.00 3.99 C ATOM 1126 C LEU B 37 38.179 54.812 11.247 1.00 11.22 C ATOM 1127 O LEU B 37 38.525 55.810 10.620 1.00 28.40 O ATOM 1128 CB LEU B 37 37.788 56.088 13.327 1.00 1.00 C ATOM 1129 CG LEU B 37 36.793 56.576 14.369 1.00 14.86 C ATOM 1130 CD1 LEU B 37 37.475 57.546 15.326 1.00 13.24 C ATOM 1131 CD2 LEU B 37 35.593 57.249 13.711 1.00 8.76 C ATOM 0 H LEU B 37 37.606 53.440 13.672 1.00 21.60 H new ATOM 0 HA LEU B 37 36.391 55.188 12.116 1.00 3.99 H new ATOM 0 HB2 LEU B 37 38.593 55.791 13.780 1.00 1.00 H new ATOM 0 HB3 LEU B 37 38.039 56.835 12.762 1.00 1.00 H new ATOM 0 HG LEU B 37 36.473 55.807 14.865 1.00 14.86 H new ATOM 0 HD11 LEU B 37 36.835 57.853 15.987 1.00 13.24 H new ATOM 0 HD12 LEU B 37 38.210 57.097 15.772 1.00 13.24 H new ATOM 0 HD13 LEU B 37 37.815 58.306 14.829 1.00 13.24 H new ATOM 0 HD21 LEU B 37 34.975 57.550 14.395 1.00 8.76 H new ATOM 0 HD22 LEU B 37 35.894 58.010 13.190 1.00 8.76 H new ATOM 0 HD23 LEU B 37 35.146 56.615 13.128 1.00 8.76 H new ATOM 1132 N TYR B 38 38.573 53.611 10.927 1.00 14.27 N ATOM 1133 CA TYR B 38 39.413 53.432 9.786 1.00 18.77 C ATOM 1134 C TYR B 38 38.609 53.861 8.566 1.00 23.04 C ATOM 1135 O TYR B 38 37.483 53.395 8.401 1.00 11.81 O ATOM 1136 CB TYR B 38 39.605 51.945 9.610 1.00 11.99 C ATOM 1137 CG TYR B 38 40.457 51.652 8.429 1.00 15.32 C ATOM 1138 CD1 TYR B 38 39.947 51.383 7.154 1.00 24.83 C ATOM 1139 CD2 TYR B 38 41.831 51.648 8.605 1.00 25.95 C ATOM 1140 CE1 TYR B 38 40.786 51.107 6.069 1.00 24.78 C ATOM 1141 CE2 TYR B 38 42.679 51.375 7.532 1.00 28.09 C ATOM 1142 CZ TYR B 38 42.167 51.111 6.260 1.00 33.27 C ATOM 1143 OH TYR B 38 43.018 50.845 5.215 1.00 22.91 O ATOM 0 H TYR B 38 38.368 52.892 11.353 1.00 14.27 H new ATOM 0 HA TYR B 38 40.246 53.919 9.886 1.00 18.77 H new ATOM 0 HB2 TYR B 38 40.013 51.572 10.407 1.00 11.99 H new ATOM 0 HB3 TYR B 38 38.742 51.515 9.505 1.00 11.99 H new ATOM 0 HD1 TYR B 38 39.026 51.388 7.024 1.00 24.83 H new ATOM 0 HD2 TYR B 38 42.190 51.828 9.444 1.00 25.95 H new ATOM 0 HE1 TYR B 38 40.427 50.923 5.231 1.00 24.78 H new ATOM 0 HE2 TYR B 38 43.599 51.369 7.666 1.00 28.09 H new ATOM 0 HH TYR B 38 43.813 50.885 5.484 1.00 22.91 H new ATOM 1144 N GLY B 39 39.148 54.725 7.708 1.00 18.87 N ATOM 1145 CA GLY B 39 38.425 55.161 6.515 1.00 7.77 C ATOM 1146 C GLY B 39 37.224 56.066 6.796 1.00 19.32 C ATOM 1147 O GLY B 39 36.362 56.250 5.939 1.00 19.55 O ATOM 0 H GLY B 39 39.930 55.070 7.798 1.00 18.87 H new ATOM 0 HA2 GLY B 39 39.041 55.632 5.932 1.00 7.77 H new ATOM 0 HA3 GLY B 39 38.119 54.378 6.032 1.00 7.77 H new ATOM 1148 N VAL B 40 37.153 56.640 7.983 1.00 24.76 N ATOM 1149 CA VAL B 40 36.036 57.504 8.257 1.00 18.05 C ATOM 1150 C VAL B 40 36.041 58.716 7.334 1.00 18.66 C ATOM 1151 O VAL B 40 34.984 59.215 6.963 1.00 23.16 O ATOM 1152 CB VAL B 40 35.904 57.872 9.731 1.00 28.37 C ATOM 1153 CG1 VAL B 40 37.055 58.772 10.157 1.00 12.43 C ATOM 1154 CG2 VAL B 40 34.569 58.557 9.996 1.00 3.94 C ATOM 0 H VAL B 40 37.722 56.545 8.621 1.00 24.76 H new ATOM 0 HA VAL B 40 35.232 56.998 8.060 1.00 18.05 H new ATOM 0 HB VAL B 40 35.938 57.056 10.254 1.00 28.37 H new ATOM 0 HG11 VAL B 40 36.959 58.998 11.095 1.00 12.43 H new ATOM 0 HG12 VAL B 40 37.896 58.308 10.021 1.00 12.43 H new ATOM 0 HG13 VAL B 40 37.045 59.584 9.626 1.00 12.43 H new ATOM 0 HG21 VAL B 40 34.502 58.784 10.937 1.00 3.94 H new ATOM 0 HG22 VAL B 40 34.509 59.366 9.464 1.00 3.94 H new ATOM 0 HG23 VAL B 40 33.845 57.958 9.756 1.00 3.94 H new ATOM 1155 N VAL B 41 37.234 59.187 6.947 1.00 24.75 N ATOM 1156 CA VAL B 41 37.314 60.338 6.060 1.00 20.57 C ATOM 1157 C VAL B 41 36.701 60.042 4.718 1.00 29.74 C ATOM 1158 O VAL B 41 37.206 59.217 3.961 1.00 19.96 O ATOM 1159 CB VAL B 41 38.711 60.920 5.956 1.00 30.91 C ATOM 1160 CG1 VAL B 41 38.672 62.200 5.126 1.00 13.22 C ATOM 1161 CG2 VAL B 41 39.191 61.234 7.369 1.00 22.95 C ATOM 0 H VAL B 41 37.991 58.857 7.185 1.00 24.75 H new ATOM 0 HA VAL B 41 36.782 61.039 6.467 1.00 20.57 H new ATOM 0 HB VAL B 41 39.312 60.291 5.527 1.00 30.91 H new ATOM 0 HG11 VAL B 41 39.566 62.571 5.061 1.00 13.22 H new ATOM 0 HG12 VAL B 41 38.340 61.999 4.237 1.00 13.22 H new ATOM 0 HG13 VAL B 41 38.086 62.844 5.552 1.00 13.22 H new ATOM 0 HG21 VAL B 41 40.085 61.609 7.332 1.00 22.95 H new ATOM 0 HG22 VAL B 41 38.590 61.874 7.781 1.00 22.95 H new ATOM 0 HG23 VAL B 41 39.204 60.419 7.895 1.00 22.95 H new ATOM 1162 N GLY B 42 35.594 60.709 4.431 1.00 28.07 N ATOM 1163 CA GLY B 42 34.914 60.507 3.176 1.00 6.21 C ATOM 1164 C GLY B 42 33.851 59.409 3.223 1.00 26.30 C ATOM 1165 O GLY B 42 33.403 58.935 2.188 1.00 26.37 O ATOM 0 H GLY B 42 35.224 61.283 4.954 1.00 28.07 H new ATOM 0 HA2 GLY B 42 34.496 61.340 2.906 1.00 6.21 H new ATOM 0 HA3 GLY B 42 35.568 60.284 2.495 1.00 6.21 H new ATOM 1166 N ARG B 43 33.443 59.007 4.407 1.00 12.18 N ATOM 1167 CA ARG B 43 32.436 57.989 4.563 1.00 12.37 C ATOM 1168 C ARG B 43 31.144 58.708 4.888 1.00 12.31 C ATOM 1169 O ARG B 43 31.187 59.710 5.594 1.00 26.61 O ATOM 1170 CB ARG B 43 32.851 57.148 5.738 1.00 3.97 C ATOM 1171 CG ARG B 43 31.964 55.957 5.961 1.00 32.86 C ATOM 1172 CD ARG B 43 32.646 54.927 6.846 1.00 26.24 C ATOM 1173 NE ARG B 43 32.523 55.215 8.284 1.00 20.89 N ATOM 1174 CZ ARG B 43 33.357 54.815 9.268 1.00 26.37 C ATOM 1175 NH1 ARG B 43 34.451 54.086 9.051 1.00 20.02 N ATOM 1176 NH2 ARG B 43 33.074 55.179 10.515 1.00 12.91 N ATOM 0 H ARG B 43 33.746 59.320 5.148 1.00 12.18 H new ATOM 0 HA ARG B 43 32.328 57.436 3.774 1.00 12.37 H new ATOM 0 HB2 ARG B 43 33.762 56.844 5.604 1.00 3.97 H new ATOM 0 HB3 ARG B 43 32.850 57.698 6.537 1.00 3.97 H new ATOM 0 HG2 ARG B 43 31.133 56.241 6.372 1.00 32.86 H new ATOM 0 HG3 ARG B 43 31.736 55.555 5.108 1.00 32.86 H new ATOM 0 HD2 ARG B 43 32.266 54.053 6.665 1.00 26.24 H new ATOM 0 HD3 ARG B 43 33.586 54.882 6.612 1.00 26.24 H new ATOM 0 HE ARG B 43 31.847 55.689 8.524 1.00 20.89 H new ATOM 0 HH11 ARG B 43 34.656 53.846 8.251 1.00 20.02 H new ATOM 0 HH12 ARG B 43 34.952 53.855 9.711 1.00 20.02 H new ATOM 0 HH21 ARG B 43 32.376 55.656 10.676 1.00 12.91 H new ATOM 0 HH22 ARG B 43 33.588 54.938 11.161 1.00 12.91 H new ATOM 1177 N THR B 44 30.006 58.243 4.386 1.00 13.69 N ATOM 1178 CA THR B 44 28.755 58.911 4.691 1.00 18.10 C ATOM 1179 C THR B 44 28.527 58.760 6.144 1.00 21.97 C ATOM 1180 O THR B 44 28.687 57.674 6.688 1.00 21.28 O ATOM 1181 CB THR B 44 27.614 58.249 3.937 1.00 10.15 C ATOM 1182 OG1 THR B 44 27.946 58.214 2.578 1.00 9.62 O ATOM 1183 CG2 THR B 44 26.294 58.982 4.145 1.00 16.21 C ATOM 0 H THR B 44 29.939 57.554 3.876 1.00 13.69 H new ATOM 0 HA THR B 44 28.795 59.845 4.433 1.00 18.10 H new ATOM 0 HB THR B 44 27.491 57.349 4.278 1.00 10.15 H new ATOM 0 HG1 THR B 44 27.324 57.849 2.147 1.00 9.62 H new ATOM 0 HG21 THR B 44 25.592 58.532 3.650 1.00 16.21 H new ATOM 0 HG22 THR B 44 26.071 58.987 5.089 1.00 16.21 H new ATOM 0 HG23 THR B 44 26.377 59.895 3.829 1.00 16.21 H new ATOM 1184 N ALA B 45 28.168 59.824 6.790 1.00 14.66 N ATOM 1185 CA ALA B 45 27.960 59.745 8.220 1.00 7.83 C ATOM 1186 C ALA B 45 26.884 58.749 8.719 1.00 10.63 C ATOM 1187 O ALA B 45 25.894 58.546 8.038 1.00 27.76 O ATOM 1188 CB ALA B 45 27.792 61.126 8.813 1.00 16.68 C ATOM 0 H ALA B 45 28.037 60.598 6.438 1.00 14.66 H new ATOM 0 HA ALA B 45 28.776 59.345 8.558 1.00 7.83 H new ATOM 0 HB1 ALA B 45 27.654 61.053 9.770 1.00 16.68 H new ATOM 0 HB2 ALA B 45 28.589 61.651 8.641 1.00 16.68 H new ATOM 0 HB3 ALA B 45 27.025 61.561 8.409 1.00 16.68 H new ATOM 1189 N GLY B 46 27.071 58.121 9.920 1.00 13.75 N ATOM 1190 CA GLY B 46 26.092 57.154 10.504 1.00 4.27 C ATOM 1191 C GLY B 46 25.760 55.918 9.644 1.00 19.50 C ATOM 1192 O GLY B 46 24.617 55.440 9.619 1.00 12.68 O ATOM 0 H GLY B 46 27.766 58.246 10.411 1.00 13.75 H new ATOM 0 HA2 GLY B 46 26.438 56.848 11.357 1.00 4.27 H new ATOM 0 HA3 GLY B 46 25.266 57.629 10.687 1.00 4.27 H new ATOM 1193 N THR B 47 26.783 55.403 8.950 1.00 27.22 N ATOM 1194 CA THR B 47 26.611 54.246 8.085 1.00 10.53 C ATOM 1195 C THR B 47 27.512 53.046 8.301 1.00 17.21 C ATOM 1196 O THR B 47 27.318 52.051 7.614 1.00 23.61 O ATOM 1197 CB THR B 47 26.693 54.607 6.600 1.00 7.04 C ATOM 1198 OG1 THR B 47 28.005 55.036 6.289 1.00 18.24 O ATOM 1199 CG2 THR B 47 25.692 55.698 6.267 1.00 13.44 C ATOM 0 H THR B 47 27.584 55.715 8.971 1.00 27.22 H new ATOM 0 HA THR B 47 25.722 53.968 8.356 1.00 10.53 H new ATOM 0 HB THR B 47 26.480 53.823 6.070 1.00 7.04 H new ATOM 0 HG1 THR B 47 28.056 55.870 6.377 1.00 18.24 H new ATOM 0 HG21 THR B 47 25.754 55.917 5.324 1.00 13.44 H new ATOM 0 HG22 THR B 47 24.795 55.387 6.468 1.00 13.44 H new ATOM 0 HG23 THR B 47 25.886 56.488 6.796 1.00 13.44 H new ATOM 1200 N TYR B 48 28.496 53.098 9.203 1.00 20.78 N ATOM 1201 CA TYR B 48 29.342 51.928 9.396 1.00 12.92 C ATOM 1202 C TYR B 48 28.446 50.763 9.729 1.00 13.45 C ATOM 1203 O TYR B 48 27.458 50.916 10.441 1.00 30.73 O ATOM 1204 CB TYR B 48 30.358 52.112 10.530 1.00 2.37 C ATOM 1205 CG TYR B 48 31.444 51.077 10.452 1.00 11.10 C ATOM 1206 CD1 TYR B 48 32.433 51.219 9.490 1.00 13.82 C ATOM 1207 CD2 TYR B 48 31.470 49.969 11.319 1.00 14.96 C ATOM 1208 CE1 TYR B 48 33.425 50.244 9.435 1.00 8.80 C ATOM 1209 CE2 TYR B 48 32.456 48.983 11.283 1.00 6.00 C ATOM 1210 CZ TYR B 48 33.435 49.146 10.310 1.00 17.17 C ATOM 1211 OH TYR B 48 34.437 48.225 10.207 1.00 13.40 O ATOM 0 H TYR B 48 28.683 53.778 9.696 1.00 20.78 H new ATOM 0 HA TYR B 48 29.847 51.780 8.581 1.00 12.92 H new ATOM 0 HB2 TYR B 48 30.747 52.999 10.479 1.00 2.37 H new ATOM 0 HB3 TYR B 48 29.907 52.049 11.386 1.00 2.37 H new ATOM 0 HD1 TYR B 48 32.433 51.940 8.903 1.00 13.82 H new ATOM 0 HD2 TYR B 48 30.792 49.890 11.951 1.00 14.96 H new ATOM 0 HE1 TYR B 48 34.100 50.322 8.801 1.00 8.80 H new ATOM 0 HE2 TYR B 48 32.458 48.263 11.872 1.00 6.00 H new ATOM 0 HH TYR B 48 35.155 48.560 10.485 1.00 13.40 H new ATOM 1212 N PRO B 49 28.776 49.612 9.226 1.00 7.67 N ATOM 1213 CA PRO B 49 27.974 48.447 9.469 1.00 8.10 C ATOM 1214 C PRO B 49 28.021 47.866 10.853 1.00 43.23 C ATOM 1215 O PRO B 49 29.035 47.873 11.545 1.00 28.79 O ATOM 1216 CB PRO B 49 28.450 47.387 8.490 1.00 4.08 C ATOM 1217 CG PRO B 49 29.435 48.052 7.542 1.00 1.00 C ATOM 1218 CD PRO B 49 29.681 49.452 8.064 1.00 11.30 C ATOM 0 HA PRO B 49 27.051 48.726 9.359 1.00 8.10 H new ATOM 0 HB2 PRO B 49 28.873 46.652 8.961 1.00 4.08 H new ATOM 0 HB3 PRO B 49 27.701 47.015 7.998 1.00 4.08 H new ATOM 0 HG2 PRO B 49 30.264 47.550 7.502 1.00 1.00 H new ATOM 0 HG3 PRO B 49 29.077 48.080 6.641 1.00 1.00 H new ATOM 0 HD2 PRO B 49 30.608 49.568 8.326 1.00 11.30 H new ATOM 0 HD3 PRO B 49 29.493 50.116 7.382 1.00 11.30 H new ATOM 1219 N GLU B 50 26.875 47.336 11.225 1.00 14.36 N ATOM 1220 CA GLU B 50 26.687 46.685 12.499 1.00 8.38 C ATOM 1221 C GLU B 50 26.924 47.548 13.752 1.00 4.26 C ATOM 1222 O GLU B 50 27.192 47.037 14.842 1.00 40.73 O ATOM 1223 CB GLU B 50 27.426 45.326 12.549 1.00 13.11 C ATOM 1224 CG GLU B 50 26.836 44.233 11.607 1.00 5.14 C ATOM 1225 CD GLU B 50 27.619 42.934 11.649 1.00 12.03 C ATOM 1226 OE1 GLU B 50 27.487 42.032 10.836 1.00 29.86 O ATOM 1227 OE2 GLU B 50 28.461 42.889 12.649 1.00 30.43 O ATOM 0 H GLU B 50 26.170 47.345 10.733 1.00 14.36 H new ATOM 0 HA GLU B 50 25.733 46.518 12.545 1.00 8.38 H new ATOM 0 HB2 GLU B 50 28.357 45.468 12.317 1.00 13.11 H new ATOM 0 HB3 GLU B 50 27.408 44.995 13.461 1.00 13.11 H new ATOM 0 HG2 GLU B 50 25.915 44.059 11.858 1.00 5.14 H new ATOM 0 HG3 GLU B 50 26.824 44.569 10.697 1.00 5.14 H new ATOM 1228 N PHE B 51 26.804 48.852 13.580 1.00 13.06 N ATOM 1229 CA PHE B 51 26.978 49.796 14.658 1.00 21.42 C ATOM 1230 C PHE B 51 25.643 50.511 14.925 1.00 27.29 C ATOM 1231 O PHE B 51 25.094 51.059 13.985 1.00 28.17 O ATOM 1232 CB PHE B 51 28.016 50.877 14.279 1.00 8.41 C ATOM 1233 CG PHE B 51 28.133 51.721 15.478 1.00 28.02 C ATOM 1234 CD1 PHE B 51 28.861 51.190 16.537 1.00 6.94 C ATOM 1235 CD2 PHE B 51 27.503 52.965 15.604 1.00 19.43 C ATOM 1236 CE1 PHE B 51 28.995 51.904 17.723 1.00 35.44 C ATOM 1237 CE2 PHE B 51 27.631 53.689 16.791 1.00 28.89 C ATOM 1238 CZ PHE B 51 28.379 53.152 17.843 1.00 22.65 C ATOM 0 H PHE B 51 26.617 49.216 12.824 1.00 13.06 H new ATOM 0 HA PHE B 51 27.281 49.308 15.440 1.00 21.42 H new ATOM 0 HB2 PHE B 51 28.869 50.479 14.044 1.00 8.41 H new ATOM 0 HB3 PHE B 51 27.723 51.393 13.512 1.00 8.41 H new ATOM 0 HD1 PHE B 51 29.260 50.354 16.452 1.00 6.94 H new ATOM 0 HD2 PHE B 51 27.001 53.308 14.900 1.00 19.43 H new ATOM 0 HE1 PHE B 51 29.489 51.554 18.429 1.00 35.44 H new ATOM 0 HE2 PHE B 51 27.223 54.520 16.881 1.00 28.89 H new ATOM 0 HZ PHE B 51 28.468 53.633 18.634 1.00 22.65 H new ATOM 1239 N LYS B 52 25.082 50.550 16.140 1.00 16.95 N ATOM 1240 CA LYS B 52 23.807 51.283 16.254 1.00 11.53 C ATOM 1241 C LYS B 52 24.070 52.771 16.563 1.00 6.72 C ATOM 1242 O LYS B 52 24.542 53.080 17.644 1.00 17.47 O ATOM 1243 CB LYS B 52 22.861 50.698 17.309 1.00 7.76 C ATOM 1244 CG LYS B 52 21.368 50.907 16.973 1.00 68.24 C ATOM 1245 CD LYS B 52 20.635 52.008 17.774 1.00100.00 C ATOM 1246 CE LYS B 52 19.117 52.087 17.508 1.00100.00 C ATOM 1247 NZ LYS B 52 18.752 52.962 16.376 1.00100.00 N ATOM 0 H LYS B 52 25.390 50.192 16.859 1.00 16.95 H new ATOM 0 HA LYS B 52 23.365 51.192 15.395 1.00 11.53 H new ATOM 0 HB2 LYS B 52 23.036 49.748 17.400 1.00 7.76 H new ATOM 0 HB3 LYS B 52 23.053 51.105 18.168 1.00 7.76 H new ATOM 0 HG2 LYS B 52 21.295 51.117 16.029 1.00 68.24 H new ATOM 0 HG3 LYS B 52 20.903 50.067 17.114 1.00 68.24 H new ATOM 0 HD2 LYS B 52 20.779 51.854 18.721 1.00100.00 H new ATOM 0 HD3 LYS B 52 21.034 52.866 17.563 1.00100.00 H new ATOM 0 HE2 LYS B 52 18.781 51.193 17.336 1.00100.00 H new ATOM 0 HE3 LYS B 52 18.674 52.407 18.309 1.00100.00 H new ATOM 0 HZ1 LYS B 52 17.868 52.964 16.275 1.00100.00 H new ATOM 0 HZ2 LYS B 52 19.034 53.790 16.538 1.00100.00 H new ATOM 0 HZ3 LYS B 52 19.134 52.659 15.631 1.00100.00 H new ATOM 1248 N TYR B 53 23.780 53.702 15.651 1.00 13.83 N ATOM 1249 CA TYR B 53 24.019 55.125 15.938 1.00 12.35 C ATOM 1250 C TYR B 53 22.760 55.792 16.465 1.00 30.83 C ATOM 1251 O TYR B 53 21.680 55.218 16.377 1.00 22.37 O ATOM 1252 CB TYR B 53 24.252 55.870 14.631 1.00 19.26 C ATOM 1253 CG TYR B 53 25.479 55.501 13.891 1.00 19.53 C ATOM 1254 CD1 TYR B 53 25.493 54.453 12.971 1.00 27.79 C ATOM 1255 CD2 TYR B 53 26.641 56.236 14.097 1.00 24.12 C ATOM 1256 CE1 TYR B 53 26.657 54.129 12.273 1.00 13.73 C ATOM 1257 CE2 TYR B 53 27.810 55.929 13.408 1.00 16.07 C ATOM 1258 CZ TYR B 53 27.817 54.874 12.497 1.00 8.61 C ATOM 1259 OH TYR B 53 28.973 54.574 11.823 1.00 15.72 O ATOM 0 H TYR B 53 23.450 53.538 14.874 1.00 13.83 H new ATOM 0 HA TYR B 53 24.760 55.159 16.563 1.00 12.35 H new ATOM 0 HB2 TYR B 53 23.488 55.721 14.052 1.00 19.26 H new ATOM 0 HB3 TYR B 53 24.282 56.821 14.821 1.00 19.26 H new ATOM 0 HD1 TYR B 53 24.716 53.964 12.821 1.00 27.79 H new ATOM 0 HD2 TYR B 53 26.637 56.942 14.703 1.00 24.12 H new ATOM 0 HE1 TYR B 53 26.660 53.425 11.665 1.00 13.73 H new ATOM 0 HE2 TYR B 53 28.583 56.425 13.554 1.00 16.07 H new ATOM 0 HH TYR B 53 29.407 55.279 11.683 1.00 15.72 H new ATOM 1260 N LYS B 54 22.884 57.031 16.984 1.00 34.31 N ATOM 1261 CA LYS B 54 21.706 57.757 17.452 1.00 20.99 C ATOM 1262 C LYS B 54 21.071 58.270 16.163 1.00 29.98 C ATOM 1263 O LYS B 54 21.743 58.334 15.140 1.00 32.78 O ATOM 1264 CB LYS B 54 22.012 58.979 18.318 1.00 37.90 C ATOM 1265 CG LYS B 54 22.476 58.715 19.753 1.00 19.45 C ATOM 1266 CD LYS B 54 21.996 57.401 20.376 1.00 47.50 C ATOM 1267 CE LYS B 54 21.509 57.519 21.829 1.00100.00 C ATOM 1268 NZ LYS B 54 20.254 56.780 22.072 1.00100.00 N ATOM 0 H LYS B 54 23.629 57.453 17.069 1.00 34.31 H new ATOM 0 HA LYS B 54 21.164 57.170 18.002 1.00 20.99 H new ATOM 0 HB2 LYS B 54 22.696 59.501 17.871 1.00 37.90 H new ATOM 0 HB3 LYS B 54 21.214 59.529 18.356 1.00 37.90 H new ATOM 0 HG2 LYS B 54 23.446 58.726 19.769 1.00 19.45 H new ATOM 0 HG3 LYS B 54 22.175 59.448 20.313 1.00 19.45 H new ATOM 0 HD2 LYS B 54 21.275 57.045 19.834 1.00 47.50 H new ATOM 0 HD3 LYS B 54 22.721 56.757 20.342 1.00 47.50 H new ATOM 0 HE2 LYS B 54 22.197 57.184 22.425 1.00100.00 H new ATOM 0 HE3 LYS B 54 21.376 58.455 22.046 1.00100.00 H new ATOM 0 HZ1 LYS B 54 20.012 56.877 22.923 1.00100.00 H new ATOM 0 HZ2 LYS B 54 19.614 57.100 21.543 1.00100.00 H new ATOM 0 HZ3 LYS B 54 20.379 55.917 21.896 1.00100.00 H new ATOM 1269 N ASP B 55 19.801 58.639 16.211 1.00 29.74 N ATOM 1270 CA ASP B 55 19.013 59.139 15.076 1.00 21.34 C ATOM 1271 C ASP B 55 19.530 60.284 14.247 1.00 22.21 C ATOM 1272 O ASP B 55 19.333 60.302 13.034 1.00 32.24 O ATOM 1273 CB ASP B 55 17.660 59.609 15.565 1.00 41.28 C ATOM 1274 CG ASP B 55 16.799 58.482 15.946 1.00100.00 C ATOM 1275 OD1 ASP B 55 15.596 58.583 16.047 1.00100.00 O ATOM 1276 OD2 ASP B 55 17.472 57.382 16.169 1.00100.00 O ATOM 0 H ASP B 55 19.345 58.606 16.940 1.00 29.74 H new ATOM 0 HA ASP B 55 19.028 58.361 14.496 1.00 21.34 H new ATOM 0 HB2 ASP B 55 17.778 60.199 16.326 1.00 41.28 H new ATOM 0 HB3 ASP B 55 17.226 60.127 14.869 1.00 41.28 H new ATOM 1277 N SER B 56 20.144 61.264 14.879 1.00 24.91 N ATOM 1278 CA SER B 56 20.628 62.431 14.144 1.00 15.22 C ATOM 1279 C SER B 56 21.739 62.223 13.124 1.00 24.08 C ATOM 1280 O SER B 56 21.668 62.724 11.996 1.00 31.92 O ATOM 1281 CB SER B 56 20.917 63.618 15.034 1.00 95.62 C ATOM 1282 OG SER B 56 19.929 63.728 16.036 1.00 25.70 O ATOM 0 H SER B 56 20.293 61.281 15.726 1.00 24.91 H new ATOM 0 HA SER B 56 19.855 62.627 13.591 1.00 15.22 H new ATOM 0 HB2 SER B 56 21.791 63.519 15.442 1.00 95.62 H new ATOM 0 HB3 SER B 56 20.941 64.430 14.504 1.00 95.62 H new ATOM 0 HG SER B 56 19.453 64.404 15.887 1.00 25.70 H new ATOM 1283 N ILE B 57 22.780 61.505 13.541 1.00 23.47 N ATOM 1284 CA ILE B 57 23.889 61.244 12.657 1.00 21.36 C ATOM 1285 C ILE B 57 23.367 60.416 11.508 1.00 13.62 C ATOM 1286 O ILE B 57 23.821 60.529 10.369 1.00 23.61 O ATOM 1287 CB ILE B 57 25.091 60.587 13.352 1.00 19.26 C ATOM 1288 CG1 ILE B 57 26.402 60.997 12.654 1.00 6.98 C ATOM 1289 CG2 ILE B 57 24.914 59.075 13.335 1.00 21.15 C ATOM 1290 CD1 ILE B 57 27.667 60.444 13.312 1.00 12.25 C ATOM 0 H ILE B 57 22.855 61.166 14.328 1.00 23.47 H new ATOM 0 HA ILE B 57 24.242 62.088 12.334 1.00 21.36 H new ATOM 0 HB ILE B 57 25.139 60.888 14.273 1.00 19.26 H new ATOM 0 HG12 ILE B 57 26.372 60.697 11.732 1.00 6.98 H new ATOM 0 HG13 ILE B 57 26.457 61.965 12.636 1.00 6.98 H new ATOM 0 HG21 ILE B 57 25.671 58.655 13.773 1.00 21.15 H new ATOM 0 HG22 ILE B 57 24.098 58.839 13.804 1.00 21.15 H new ATOM 0 HG23 ILE B 57 24.860 58.766 12.417 1.00 21.15 H new ATOM 0 HD11 ILE B 57 28.446 60.744 12.818 1.00 12.25 H new ATOM 0 HD12 ILE B 57 27.722 60.762 14.227 1.00 12.25 H new ATOM 0 HD13 ILE B 57 27.636 59.474 13.309 1.00 12.25 H new ATOM 1291 N VAL B 58 22.381 59.580 11.831 1.00 2.18 N ATOM 1292 CA VAL B 58 21.777 58.740 10.838 1.00 20.45 C ATOM 1293 C VAL B 58 21.137 59.594 9.734 1.00 23.14 C ATOM 1294 O VAL B 58 21.316 59.345 8.541 1.00 24.62 O ATOM 1295 CB VAL B 58 20.882 57.653 11.442 1.00 24.08 C ATOM 1296 CG1 VAL B 58 20.110 56.954 10.335 1.00 14.88 C ATOM 1297 CG2 VAL B 58 21.752 56.630 12.178 1.00 15.70 C ATOM 0 H VAL B 58 22.057 59.494 12.623 1.00 2.18 H new ATOM 0 HA VAL B 58 22.470 58.223 10.398 1.00 20.45 H new ATOM 0 HB VAL B 58 20.258 58.058 12.064 1.00 24.08 H new ATOM 0 HG11 VAL B 58 19.544 56.266 10.719 1.00 14.88 H new ATOM 0 HG12 VAL B 58 19.559 57.601 9.866 1.00 14.88 H new ATOM 0 HG13 VAL B 58 20.733 56.548 9.712 1.00 14.88 H new ATOM 0 HG21 VAL B 58 21.187 55.941 12.561 1.00 15.70 H new ATOM 0 HG22 VAL B 58 22.375 56.227 11.554 1.00 15.70 H new ATOM 0 HG23 VAL B 58 22.245 57.074 12.886 1.00 15.70 H new ATOM 1298 N ALA B 59 20.410 60.616 10.154 1.00 18.37 N ATOM 1299 CA ALA B 59 19.744 61.522 9.244 1.00 16.93 C ATOM 1300 C ALA B 59 20.714 62.394 8.471 1.00 17.70 C ATOM 1301 O ALA B 59 20.483 62.726 7.315 1.00 36.34 O ATOM 1302 CB ALA B 59 18.754 62.370 10.010 1.00 6.98 C ATOM 0 H ALA B 59 20.289 60.803 10.985 1.00 18.37 H new ATOM 0 HA ALA B 59 19.275 60.986 8.585 1.00 16.93 H new ATOM 0 HB1 ALA B 59 18.308 62.977 9.400 1.00 6.98 H new ATOM 0 HB2 ALA B 59 18.096 61.797 10.434 1.00 6.98 H new ATOM 0 HB3 ALA B 59 19.222 62.881 10.689 1.00 6.98 H new ATOM 1303 N LEU B 60 21.791 62.765 9.111 1.00 21.94 N ATOM 1304 CA LEU B 60 22.767 63.569 8.462 1.00 12.83 C ATOM 1305 C LEU B 60 23.350 62.735 7.295 1.00 15.24 C ATOM 1306 O LEU B 60 23.565 63.242 6.194 1.00 34.36 O ATOM 1307 CB LEU B 60 23.810 63.921 9.517 1.00 2.02 C ATOM 1308 CG LEU B 60 24.869 64.879 9.045 1.00 16.30 C ATOM 1309 CD1 LEU B 60 24.226 66.178 8.571 1.00 20.59 C ATOM 1310 CD2 LEU B 60 25.803 65.164 10.212 1.00 25.56 C ATOM 0 H LEU B 60 21.972 62.558 9.926 1.00 21.94 H new ATOM 0 HA LEU B 60 22.414 64.392 8.090 1.00 12.83 H new ATOM 0 HB2 LEU B 60 23.360 64.306 10.286 1.00 2.02 H new ATOM 0 HB3 LEU B 60 24.238 63.105 9.818 1.00 2.02 H new ATOM 0 HG LEU B 60 25.362 64.492 8.304 1.00 16.30 H new ATOM 0 HD11 LEU B 60 24.916 66.789 8.269 1.00 20.59 H new ATOM 0 HD12 LEU B 60 23.618 65.990 7.839 1.00 20.59 H new ATOM 0 HD13 LEU B 60 23.735 66.582 9.303 1.00 20.59 H new ATOM 0 HD21 LEU B 60 26.496 65.781 9.929 1.00 25.56 H new ATOM 0 HD22 LEU B 60 25.299 65.557 10.942 1.00 25.56 H new ATOM 0 HD23 LEU B 60 26.211 64.336 10.510 1.00 25.56 H new ATOM 1311 N GLY B 61 23.591 61.439 7.529 1.00 14.54 N ATOM 1312 CA GLY B 61 24.121 60.596 6.473 1.00 12.42 C ATOM 1313 C GLY B 61 23.075 60.361 5.382 1.00 26.75 C ATOM 1314 O GLY B 61 23.416 60.244 4.210 1.00 17.79 O ATOM 0 H GLY B 61 23.455 61.043 8.280 1.00 14.54 H new ATOM 0 HA2 GLY B 61 24.908 61.012 6.087 1.00 12.42 H new ATOM 0 HA3 GLY B 61 24.403 59.745 6.844 1.00 12.42 H new ATOM 1315 N ALA B 62 21.790 60.294 5.778 1.00 12.14 N ATOM 1316 CA ALA B 62 20.674 60.065 4.839 1.00 25.28 C ATOM 1317 C ALA B 62 20.588 61.124 3.755 1.00 7.37 C ATOM 1318 O ALA B 62 20.162 60.888 2.619 1.00 35.14 O ATOM 1319 CB ALA B 62 19.352 59.976 5.586 1.00 17.12 C ATOM 0 H ALA B 62 21.543 60.380 6.597 1.00 12.14 H new ATOM 0 HA ALA B 62 20.855 59.219 4.399 1.00 25.28 H new ATOM 0 HB1 ALA B 62 18.632 59.826 4.953 1.00 17.12 H new ATOM 0 HB2 ALA B 62 19.386 59.241 6.218 1.00 17.12 H new ATOM 0 HB3 ALA B 62 19.194 60.805 6.064 1.00 17.12 H new ATOM 1320 N SER B 63 21.006 62.286 4.153 1.00 15.24 N ATOM 1321 CA SER B 63 21.027 63.462 3.353 1.00 23.97 C ATOM 1322 C SER B 63 22.224 63.518 2.401 1.00 8.75 C ATOM 1323 O SER B 63 22.368 64.465 1.628 1.00 28.01 O ATOM 1324 CB SER B 63 21.111 64.600 4.335 1.00 24.56 C ATOM 1325 OG SER B 63 22.395 65.176 4.280 1.00 25.63 O ATOM 0 H SER B 63 21.304 62.418 4.949 1.00 15.24 H new ATOM 0 HA SER B 63 20.240 63.495 2.787 1.00 23.97 H new ATOM 0 HB2 SER B 63 20.438 65.267 4.129 1.00 24.56 H new ATOM 0 HB3 SER B 63 20.928 64.280 5.232 1.00 24.56 H new ATOM 0 HG SER B 63 22.915 64.751 4.785 1.00 25.63 H new ATOM 1326 N GLY B 64 23.086 62.495 2.491 1.00 37.31 N ATOM 1327 CA GLY B 64 24.291 62.362 1.667 1.00 9.17 C ATOM 1328 C GLY B 64 25.577 62.985 2.241 1.00 27.41 C ATOM 1329 O GLY B 64 26.578 63.113 1.539 1.00 43.21 O ATOM 0 H GLY B 64 22.981 61.847 3.046 1.00 37.31 H new ATOM 0 HA2 GLY B 64 24.452 61.418 1.512 1.00 9.17 H new ATOM 0 HA3 GLY B 64 24.116 62.766 0.803 1.00 9.17 H new ATOM 1330 N PHE B 65 25.567 63.368 3.494 1.00 30.11 N ATOM 1331 CA PHE B 65 26.737 63.967 4.087 1.00 14.76 C ATOM 1332 C PHE B 65 27.862 62.985 4.341 1.00 33.81 C ATOM 1333 O PHE B 65 27.686 61.952 4.987 1.00 20.02 O ATOM 1334 CB PHE B 65 26.344 64.652 5.384 1.00 19.52 C ATOM 1335 CG PHE B 65 27.541 65.159 6.132 1.00 20.21 C ATOM 1336 CD1 PHE B 65 28.072 66.425 5.873 1.00 23.67 C ATOM 1337 CD2 PHE B 65 28.182 64.396 7.103 1.00 59.22 C ATOM 1338 CE1 PHE B 65 29.187 66.940 6.544 1.00 71.84 C ATOM 1339 CE2 PHE B 65 29.299 64.892 7.787 1.00 23.60 C ATOM 1340 CZ PHE B 65 29.811 66.164 7.515 1.00 35.85 C ATOM 0 H PHE B 65 24.892 63.291 4.022 1.00 30.11 H new ATOM 0 HA PHE B 65 27.080 64.610 3.447 1.00 14.76 H new ATOM 0 HB2 PHE B 65 25.746 65.391 5.191 1.00 19.52 H new ATOM 0 HB3 PHE B 65 25.853 64.029 5.943 1.00 19.52 H new ATOM 0 HD1 PHE B 65 27.665 66.951 5.223 1.00 23.67 H new ATOM 0 HD2 PHE B 65 27.864 63.545 7.301 1.00 59.22 H new ATOM 0 HE1 PHE B 65 29.507 67.790 6.343 1.00 71.84 H new ATOM 0 HE2 PHE B 65 29.708 64.365 8.435 1.00 23.60 H new ATOM 0 HZ PHE B 65 30.554 66.485 7.974 1.00 35.85 H new ATOM 1341 N ALA B 66 29.021 63.334 3.834 1.00 8.87 N ATOM 1342 CA ALA B 66 30.189 62.507 3.989 1.00 19.09 C ATOM 1343 C ALA B 66 31.281 63.249 4.753 1.00 13.17 C ATOM 1344 O ALA B 66 31.541 64.407 4.456 1.00 18.00 O ATOM 1345 CB ALA B 66 30.697 62.117 2.608 1.00 2.61 C ATOM 0 H ALA B 66 29.153 64.058 3.389 1.00 8.87 H new ATOM 0 HA ALA B 66 29.954 61.714 4.496 1.00 19.09 H new ATOM 0 HB1 ALA B 66 31.485 61.559 2.699 1.00 2.61 H new ATOM 0 HB2 ALA B 66 30.006 61.626 2.136 1.00 2.61 H new ATOM 0 HB3 ALA B 66 30.924 62.917 2.109 1.00 2.61 H new ATOM 1346 N TRP B 67 31.943 62.608 5.727 1.00 25.22 N ATOM 1347 CA TRP B 67 33.007 63.297 6.483 1.00 15.22 C ATOM 1348 C TRP B 67 34.181 63.785 5.653 1.00 7.67 C ATOM 1349 O TRP B 67 34.573 63.204 4.642 1.00 38.66 O ATOM 1350 CB TRP B 67 33.586 62.476 7.682 1.00 9.13 C ATOM 1351 CG TRP B 67 32.541 62.105 8.668 1.00 16.11 C ATOM 1352 CD1 TRP B 67 31.874 60.918 8.778 1.00 1.53 C ATOM 1353 CD2 TRP B 67 32.025 62.971 9.651 1.00 21.04 C ATOM 1354 NE1 TRP B 67 30.960 60.998 9.802 1.00 23.10 N ATOM 1355 CE2 TRP B 67 31.037 62.265 10.353 1.00 18.77 C ATOM 1356 CE3 TRP B 67 32.326 64.300 9.990 1.00 21.75 C ATOM 1357 CZ2 TRP B 67 30.351 62.876 11.401 1.00 7.77 C ATOM 1358 CZ3 TRP B 67 31.654 64.900 11.015 1.00 22.50 C ATOM 1359 CH2 TRP B 67 30.676 64.194 11.713 1.00 6.88 C ATOM 0 H TRP B 67 31.798 61.794 5.963 1.00 25.22 H new ATOM 0 HA TRP B 67 32.522 64.067 6.819 1.00 15.22 H new ATOM 0 HB2 TRP B 67 34.010 61.671 7.345 1.00 9.13 H new ATOM 0 HB3 TRP B 67 34.275 62.996 8.124 1.00 9.13 H new ATOM 0 HD1 TRP B 67 32.016 60.171 8.243 1.00 1.53 H new ATOM 0 HE1 TRP B 67 30.432 60.369 10.056 1.00 23.10 H new ATOM 0 HE3 TRP B 67 32.978 64.768 9.520 1.00 21.75 H new ATOM 0 HZ2 TRP B 67 29.697 62.418 11.877 1.00 7.77 H new ATOM 0 HZ3 TRP B 67 31.848 65.779 11.248 1.00 22.50 H new ATOM 0 HH2 TRP B 67 30.226 64.616 12.409 1.00 6.88 H new ATOM 1360 N THR B 68 34.741 64.869 6.148 1.00 28.83 N ATOM 1361 CA THR B 68 35.910 65.533 5.598 1.00 20.41 C ATOM 1362 C THR B 68 36.779 65.840 6.814 1.00 14.31 C ATOM 1363 O THR B 68 36.251 65.877 7.915 1.00 41.03 O ATOM 1364 CB THR B 68 35.589 66.889 4.970 1.00 47.49 C ATOM 1365 OG1 THR B 68 35.007 67.711 5.961 1.00 38.84 O ATOM 1366 CG2 THR B 68 34.676 66.763 3.757 1.00 22.15 C ATOM 0 H THR B 68 34.436 65.261 6.850 1.00 28.83 H new ATOM 0 HA THR B 68 36.307 64.970 4.916 1.00 20.41 H new ATOM 0 HB THR B 68 36.412 67.288 4.646 1.00 47.49 H new ATOM 0 HG1 THR B 68 34.286 68.031 5.672 1.00 38.84 H new ATOM 0 HG21 THR B 68 34.499 67.644 3.392 1.00 22.15 H new ATOM 0 HG22 THR B 68 35.107 66.215 3.083 1.00 22.15 H new ATOM 0 HG23 THR B 68 33.840 66.350 4.023 1.00 22.15 H new ATOM 1367 N GLU B 69 38.083 66.074 6.664 1.00 29.20 N ATOM 1368 CA GLU B 69 38.944 66.385 7.813 1.00 14.34 C ATOM 1369 C GLU B 69 38.413 67.561 8.593 1.00 25.57 C ATOM 1370 O GLU B 69 38.387 67.583 9.822 1.00 51.81 O ATOM 1371 CB GLU B 69 40.311 66.828 7.306 1.00 24.34 C ATOM 1372 CG GLU B 69 41.209 65.678 6.881 1.00 31.84 C ATOM 1373 CD GLU B 69 42.560 66.169 6.489 1.00 26.88 C ATOM 1374 OE1 GLU B 69 43.268 66.827 7.229 1.00 68.82 O ATOM 1375 OE2 GLU B 69 42.895 65.818 5.276 1.00 63.07 O ATOM 0 H GLU B 69 38.491 66.058 5.907 1.00 29.20 H new ATOM 0 HA GLU B 69 38.982 65.589 8.366 1.00 14.34 H new ATOM 0 HB2 GLU B 69 40.189 67.427 6.553 1.00 24.34 H new ATOM 0 HB3 GLU B 69 40.756 67.335 8.003 1.00 24.34 H new ATOM 0 HG2 GLU B 69 41.291 65.042 7.609 1.00 31.84 H new ATOM 0 HG3 GLU B 69 40.805 65.206 6.136 1.00 31.84 H new ATOM 1376 N GLU B 70 38.037 68.558 7.820 1.00 22.36 N ATOM 1377 CA GLU B 70 37.525 69.802 8.282 1.00 39.52 C ATOM 1378 C GLU B 70 36.254 69.613 9.131 1.00 23.81 C ATOM 1379 O GLU B 70 36.120 70.179 10.216 1.00 25.63 O ATOM 1380 CB GLU B 70 37.403 70.708 7.022 1.00 36.32 C ATOM 1381 CG GLU B 70 38.662 70.645 6.015 1.00100.00 C ATOM 1382 CD GLU B 70 38.923 69.470 5.022 1.00100.00 C ATOM 1383 OE1 GLU B 70 39.950 69.403 4.350 1.00100.00 O ATOM 1384 OE2 GLU B 70 38.037 68.525 5.049 1.00100.00 O ATOM 0 H GLU B 70 38.080 68.514 6.962 1.00 22.36 H new ATOM 0 HA GLU B 70 38.112 70.250 8.911 1.00 39.52 H new ATOM 0 HB2 GLU B 70 36.603 70.456 6.535 1.00 36.32 H new ATOM 0 HB3 GLU B 70 37.282 71.626 7.310 1.00 36.32 H new ATOM 0 HG2 GLU B 70 38.620 71.451 5.477 1.00100.00 H new ATOM 0 HG3 GLU B 70 39.456 70.714 6.568 1.00100.00 H new ATOM 1385 N ASP B 71 35.336 68.800 8.657 1.00 21.03 N ATOM 1386 CA ASP B 71 34.128 68.565 9.415 1.00 10.55 C ATOM 1387 C ASP B 71 34.446 67.751 10.650 1.00 27.83 C ATOM 1388 O ASP B 71 33.888 67.940 11.734 1.00 35.75 O ATOM 1389 CB ASP B 71 33.111 67.801 8.564 1.00 86.65 C ATOM 1390 CG ASP B 71 32.620 68.539 7.348 1.00 19.49 C ATOM 1391 OD1 ASP B 71 32.583 68.035 6.246 1.00100.00 O ATOM 1392 OD2 ASP B 71 32.215 69.765 7.608 1.00100.00 O ATOM 0 H ASP B 71 35.389 68.379 7.909 1.00 21.03 H new ATOM 0 HA ASP B 71 33.754 69.422 9.674 1.00 10.55 H new ATOM 0 HB2 ASP B 71 33.511 66.965 8.279 1.00 86.65 H new ATOM 0 HB3 ASP B 71 32.348 67.576 9.119 1.00 86.65 H new ATOM 1393 N ILE B 72 35.358 66.820 10.455 1.00 13.28 N ATOM 1394 CA ILE B 72 35.737 66.007 11.561 1.00 34.84 C ATOM 1395 C ILE B 72 36.318 66.926 12.605 1.00 21.20 C ATOM 1396 O ILE B 72 35.926 66.881 13.766 1.00 31.42 O ATOM 1397 CB ILE B 72 36.702 64.871 11.242 1.00 19.40 C ATOM 1398 CG1 ILE B 72 35.973 63.738 10.527 1.00 26.44 C ATOM 1399 CG2 ILE B 72 37.298 64.354 12.550 1.00 20.55 C ATOM 1400 CD1 ILE B 72 36.911 62.848 9.721 1.00 17.81 C ATOM 0 H ILE B 72 35.754 66.653 9.710 1.00 13.28 H new ATOM 0 HA ILE B 72 34.941 65.547 11.871 1.00 34.84 H new ATOM 0 HB ILE B 72 37.405 65.199 10.660 1.00 19.40 H new ATOM 0 HG12 ILE B 72 35.504 63.197 11.181 1.00 26.44 H new ATOM 0 HG13 ILE B 72 35.302 64.113 9.935 1.00 26.44 H new ATOM 0 HG21 ILE B 72 37.915 63.630 12.361 1.00 20.55 H new ATOM 0 HG22 ILE B 72 37.772 65.073 12.997 1.00 20.55 H new ATOM 0 HG23 ILE B 72 36.587 64.030 13.124 1.00 20.55 H new ATOM 0 HD11 ILE B 72 36.400 62.147 9.288 1.00 17.81 H new ATOM 0 HD12 ILE B 72 37.363 63.380 9.048 1.00 17.81 H new ATOM 0 HD13 ILE B 72 37.568 62.450 10.313 1.00 17.81 H new ATOM 1401 N ALA B 73 37.256 67.783 12.175 1.00 41.93 N ATOM 1402 CA ALA B 73 37.892 68.723 13.081 1.00 18.75 C ATOM 1403 C ALA B 73 36.890 69.554 13.856 1.00 25.23 C ATOM 1404 O ALA B 73 37.131 69.927 15.003 1.00 56.51 O ATOM 1405 CB ALA B 73 38.891 69.622 12.362 1.00 22.86 C ATOM 0 H ALA B 73 37.531 67.828 11.362 1.00 41.93 H new ATOM 0 HA ALA B 73 38.380 68.183 13.723 1.00 18.75 H new ATOM 0 HB1 ALA B 73 39.293 70.233 12.999 1.00 22.86 H new ATOM 0 HB2 ALA B 73 39.583 69.077 11.956 1.00 22.86 H new ATOM 0 HB3 ALA B 73 38.433 70.128 11.673 1.00 22.86 H new ATOM 1406 N THR B 74 35.771 69.849 13.256 1.00 51.09 N ATOM 1407 CA THR B 74 34.812 70.660 13.953 1.00 17.28 C ATOM 1408 C THR B 74 33.803 69.958 14.813 1.00 23.52 C ATOM 1409 O THR B 74 33.343 70.472 15.833 1.00 26.02 O ATOM 1410 CB THR B 74 34.011 71.371 12.913 1.00 44.06 C ATOM 1411 OG1 THR B 74 34.857 72.000 11.976 1.00 30.40 O ATOM 1412 CG2 THR B 74 33.122 72.376 13.607 1.00 19.31 C ATOM 0 H THR B 74 35.547 69.599 12.464 1.00 51.09 H new ATOM 0 HA THR B 74 35.344 71.207 14.551 1.00 17.28 H new ATOM 0 HB THR B 74 33.464 70.737 12.422 1.00 44.06 H new ATOM 0 HG1 THR B 74 35.143 71.430 11.429 1.00 30.40 H new ATOM 0 HG21 THR B 74 32.592 72.850 12.947 1.00 19.31 H new ATOM 0 HG22 THR B 74 32.532 71.915 14.224 1.00 19.31 H new ATOM 0 HG23 THR B 74 33.670 73.010 14.096 1.00 19.31 H new ATOM 1413 N TYR B 75 33.432 68.820 14.370 1.00 28.10 N ATOM 1414 CA TYR B 75 32.479 68.035 15.054 1.00 21.10 C ATOM 1415 C TYR B 75 33.011 67.635 16.418 1.00 19.82 C ATOM 1416 O TYR B 75 32.273 67.552 17.398 1.00 26.52 O ATOM 1417 CB TYR B 75 32.299 66.800 14.160 1.00 27.25 C ATOM 1418 CG TYR B 75 31.744 65.576 14.819 1.00 3.76 C ATOM 1419 CD1 TYR B 75 30.372 65.510 15.023 1.00 19.68 C ATOM 1420 CD2 TYR B 75 32.521 64.488 15.219 1.00 17.90 C ATOM 1421 CE1 TYR B 75 29.759 64.408 15.618 1.00 14.59 C ATOM 1422 CE2 TYR B 75 31.926 63.374 15.818 1.00 6.33 C ATOM 1423 CZ TYR B 75 30.547 63.330 16.017 1.00 15.44 C ATOM 1424 OH TYR B 75 29.985 62.229 16.608 1.00 28.21 O ATOM 0 H TYR B 75 33.730 68.466 13.645 1.00 28.10 H new ATOM 0 HA TYR B 75 31.645 68.505 15.208 1.00 21.10 H new ATOM 0 HB2 TYR B 75 31.715 67.040 13.424 1.00 27.25 H new ATOM 0 HB3 TYR B 75 33.161 66.574 13.776 1.00 27.25 H new ATOM 0 HD1 TYR B 75 29.843 66.226 14.753 1.00 19.68 H new ATOM 0 HD2 TYR B 75 33.441 64.504 15.086 1.00 17.90 H new ATOM 0 HE1 TYR B 75 28.838 64.393 15.747 1.00 14.59 H new ATOM 0 HE2 TYR B 75 32.454 62.657 16.086 1.00 6.33 H new ATOM 0 HH TYR B 75 29.330 62.466 17.078 1.00 28.21 H new ATOM 1425 N VAL B 76 34.326 67.383 16.461 1.00 23.01 N ATOM 1426 CA VAL B 76 34.996 66.947 17.696 1.00 27.75 C ATOM 1427 C VAL B 76 35.032 67.856 18.859 1.00 34.22 C ATOM 1428 O VAL B 76 35.100 67.411 20.000 1.00 41.16 O ATOM 1429 CB VAL B 76 36.351 66.261 17.590 1.00 25.02 C ATOM 1430 CG1 VAL B 76 36.278 64.893 16.924 1.00 29.03 C ATOM 1431 CG2 VAL B 76 37.443 67.155 16.997 1.00 23.30 C ATOM 0 H VAL B 76 34.850 67.459 15.783 1.00 23.01 H new ATOM 0 HA VAL B 76 34.324 66.271 17.874 1.00 27.75 H new ATOM 0 HB VAL B 76 36.624 66.095 18.506 1.00 25.02 H new ATOM 0 HG11 VAL B 76 37.166 64.505 16.884 1.00 29.03 H new ATOM 0 HG12 VAL B 76 35.695 64.313 17.438 1.00 29.03 H new ATOM 0 HG13 VAL B 76 35.927 64.989 16.025 1.00 29.03 H new ATOM 0 HG21 VAL B 76 38.278 66.663 16.956 1.00 23.30 H new ATOM 0 HG22 VAL B 76 37.186 67.430 16.103 1.00 23.30 H new ATOM 0 HG23 VAL B 76 37.558 67.940 17.556 1.00 23.30 H new ATOM 1432 N LYS B 77 35.024 69.106 18.539 1.00 61.25 N ATOM 1433 CA LYS B 77 35.036 70.189 19.437 1.00 24.12 C ATOM 1434 C LYS B 77 33.746 70.141 20.189 1.00 35.99 C ATOM 1435 O LYS B 77 33.668 70.452 21.371 1.00 49.14 O ATOM 1436 CB LYS B 77 34.999 71.398 18.534 1.00 42.83 C ATOM 1437 CG LYS B 77 36.383 72.017 18.380 1.00 37.62 C ATOM 1438 CD LYS B 77 36.755 72.581 16.990 1.00100.00 C ATOM 1439 CE LYS B 77 38.101 73.334 16.921 1.00100.00 C ATOM 1440 NZ LYS B 77 38.047 74.495 16.011 1.00100.00 N ATOM 0 H LYS B 77 35.010 69.362 17.718 1.00 61.25 H new ATOM 0 HA LYS B 77 35.787 70.190 20.051 1.00 24.12 H new ATOM 0 HB2 LYS B 77 34.658 71.143 17.663 1.00 42.83 H new ATOM 0 HB3 LYS B 77 34.386 72.057 18.897 1.00 42.83 H new ATOM 0 HG2 LYS B 77 36.465 72.735 19.027 1.00 37.62 H new ATOM 0 HG3 LYS B 77 37.041 71.345 18.617 1.00 37.62 H new ATOM 0 HD2 LYS B 77 36.779 71.847 16.356 1.00100.00 H new ATOM 0 HD3 LYS B 77 36.050 73.182 16.702 1.00100.00 H new ATOM 0 HE2 LYS B 77 38.348 73.634 17.810 1.00100.00 H new ATOM 0 HE3 LYS B 77 38.795 72.725 16.624 1.00100.00 H new ATOM 0 HZ1 LYS B 77 38.839 74.900 15.999 1.00100.00 H new ATOM 0 HZ2 LYS B 77 37.843 74.219 15.190 1.00100.00 H new ATOM 0 HZ3 LYS B 77 37.426 75.066 16.295 1.00100.00 H new ATOM 1441 N ASP B 78 32.709 69.740 19.455 1.00 37.35 N ATOM 1442 CA ASP B 78 31.373 69.633 19.999 1.00 31.82 C ATOM 1443 C ASP B 78 30.474 68.881 19.075 1.00 24.58 C ATOM 1444 O ASP B 78 29.905 69.438 18.134 1.00 37.96 O ATOM 1445 CB ASP B 78 30.769 71.003 20.240 1.00 43.09 C ATOM 1446 CG ASP B 78 29.525 70.985 21.070 1.00 81.83 C ATOM 1447 OD1 ASP B 78 28.660 70.119 21.011 1.00 68.27 O ATOM 1448 OD2 ASP B 78 29.458 72.040 21.839 1.00 60.85 O ATOM 0 H ASP B 78 32.769 69.523 18.625 1.00 37.35 H new ATOM 0 HA ASP B 78 31.450 69.157 20.840 1.00 31.82 H new ATOM 0 HB2 ASP B 78 31.429 71.565 20.676 1.00 43.09 H new ATOM 0 HB3 ASP B 78 30.569 71.413 19.384 1.00 43.09 H new ATOM 1449 N PRO B 79 30.347 67.611 19.344 1.00 16.70 N ATOM 1450 CA PRO B 79 29.517 66.793 18.526 1.00 21.72 C ATOM 1451 C PRO B 79 28.086 67.324 18.385 1.00 18.16 C ATOM 1452 O PRO B 79 27.647 67.590 17.271 1.00 31.11 O ATOM 1453 CB PRO B 79 29.627 65.366 19.057 1.00 17.24 C ATOM 1454 CG PRO B 79 30.864 65.353 19.957 1.00 22.64 C ATOM 1455 CD PRO B 79 31.282 66.802 20.164 1.00 26.75 C ATOM 0 HA PRO B 79 29.825 66.808 17.606 1.00 21.72 H new ATOM 0 HB2 PRO B 79 28.832 65.117 19.554 1.00 17.24 H new ATOM 0 HB3 PRO B 79 29.718 64.730 18.330 1.00 17.24 H new ATOM 0 HG2 PRO B 79 30.665 64.929 20.806 1.00 22.64 H new ATOM 0 HG3 PRO B 79 31.581 64.845 19.547 1.00 22.64 H new ATOM 0 HD2 PRO B 79 31.228 67.050 21.100 1.00 26.75 H new ATOM 0 HD3 PRO B 79 32.201 66.943 19.886 1.00 26.75 H new ATOM 1456 N GLY B 80 27.365 67.496 19.504 1.00 27.56 N ATOM 1457 CA GLY B 80 25.972 67.992 19.509 1.00 12.55 C ATOM 1458 C GLY B 80 25.719 69.291 18.744 1.00 36.65 C ATOM 1459 O GLY B 80 24.749 69.434 18.001 1.00 33.31 O ATOM 0 H GLY B 80 27.672 67.327 20.289 1.00 27.56 H new ATOM 0 HA2 GLY B 80 25.401 67.302 19.137 1.00 12.55 H new ATOM 0 HA3 GLY B 80 25.697 68.121 20.430 1.00 12.55 H new ATOM 1460 N ALA B 81 26.582 70.241 18.925 1.00 21.51 N ATOM 1461 CA ALA B 81 26.376 71.473 18.230 1.00 28.81 C ATOM 1462 C ALA B 81 26.486 71.294 16.734 1.00 20.78 C ATOM 1463 O ALA B 81 25.694 71.844 15.968 1.00 43.18 O ATOM 1464 CB ALA B 81 27.318 72.543 18.734 1.00 20.88 C ATOM 0 H ALA B 81 27.277 70.201 19.430 1.00 21.51 H new ATOM 0 HA ALA B 81 25.470 71.767 18.414 1.00 28.81 H new ATOM 0 HB1 ALA B 81 27.160 73.368 18.249 1.00 20.88 H new ATOM 0 HB2 ALA B 81 27.164 72.690 19.680 1.00 20.88 H new ATOM 0 HB3 ALA B 81 28.235 72.258 18.597 1.00 20.88 H new ATOM 1465 N PHE B 82 27.482 70.518 16.335 1.00 34.57 N ATOM 1466 CA PHE B 82 27.720 70.242 14.950 1.00 14.00 C ATOM 1467 C PHE B 82 26.455 69.673 14.327 1.00 51.09 C ATOM 1468 O PHE B 82 25.989 70.120 13.283 1.00 27.93 O ATOM 1469 CB PHE B 82 28.913 69.286 14.816 1.00 13.03 C ATOM 1470 CG PHE B 82 29.186 68.908 13.403 1.00 12.01 C ATOM 1471 CD1 PHE B 82 28.450 67.884 12.813 1.00 19.28 C ATOM 1472 CD2 PHE B 82 30.163 69.576 12.661 1.00 25.34 C ATOM 1473 CE1 PHE B 82 28.701 67.528 11.490 1.00 34.10 C ATOM 1474 CE2 PHE B 82 30.424 69.234 11.336 1.00 49.80 C ATOM 1475 CZ PHE B 82 29.682 68.203 10.760 1.00 42.84 C ATOM 0 H PHE B 82 28.037 70.139 16.871 1.00 34.57 H new ATOM 0 HA PHE B 82 27.944 71.057 14.474 1.00 14.00 H new ATOM 0 HB2 PHE B 82 29.702 69.704 15.194 1.00 13.03 H new ATOM 0 HB3 PHE B 82 28.741 68.484 15.334 1.00 13.03 H new ATOM 0 HD1 PHE B 82 27.794 67.440 13.300 1.00 19.28 H new ATOM 0 HD2 PHE B 82 30.648 70.262 13.059 1.00 25.34 H new ATOM 0 HE1 PHE B 82 28.216 66.841 11.093 1.00 34.10 H new ATOM 0 HE2 PHE B 82 31.077 69.682 10.848 1.00 49.80 H new ATOM 0 HZ PHE B 82 29.843 67.961 9.876 1.00 42.84 H new ATOM 1476 N LEU B 83 25.885 68.701 14.971 1.00 27.52 N ATOM 1477 CA LEU B 83 24.689 68.140 14.429 1.00 19.17 C ATOM 1478 C LEU B 83 23.558 69.183 14.325 1.00 42.53 C ATOM 1479 O LEU B 83 22.900 69.317 13.299 1.00 33.55 O ATOM 1480 CB LEU B 83 24.255 66.931 15.261 1.00 38.68 C ATOM 1481 CG LEU B 83 25.239 65.765 15.202 1.00 19.97 C ATOM 1482 CD1 LEU B 83 24.720 64.627 16.072 1.00 16.91 C ATOM 1483 CD2 LEU B 83 25.398 65.286 13.764 1.00 15.08 C ATOM 0 H LEU B 83 26.164 68.355 15.707 1.00 27.52 H new ATOM 0 HA LEU B 83 24.879 67.845 13.525 1.00 19.17 H new ATOM 0 HB2 LEU B 83 24.146 67.206 16.185 1.00 38.68 H new ATOM 0 HB3 LEU B 83 23.387 66.628 14.950 1.00 38.68 H new ATOM 0 HG LEU B 83 26.104 66.057 15.530 1.00 19.97 H new ATOM 0 HD11 LEU B 83 25.342 63.884 16.038 1.00 16.91 H new ATOM 0 HD12 LEU B 83 24.633 64.933 16.988 1.00 16.91 H new ATOM 0 HD13 LEU B 83 23.854 64.338 15.745 1.00 16.91 H new ATOM 0 HD21 LEU B 83 26.024 64.546 13.737 1.00 15.08 H new ATOM 0 HD22 LEU B 83 24.538 64.994 13.423 1.00 15.08 H new ATOM 0 HD23 LEU B 83 25.733 66.013 13.216 1.00 15.08 H new ATOM 1484 N LYS B 84 23.342 69.915 15.404 1.00 28.76 N ATOM 1485 CA LYS B 84 22.310 70.940 15.490 1.00 29.91 C ATOM 1486 C LYS B 84 22.283 71.854 14.308 1.00 22.24 C ATOM 1487 O LYS B 84 21.252 72.178 13.704 1.00 33.11 O ATOM 1488 CB LYS B 84 22.475 71.633 16.799 1.00 22.48 C ATOM 1489 CG LYS B 84 21.874 70.651 17.772 1.00 22.07 C ATOM 1490 CD LYS B 84 21.793 71.098 19.218 1.00 39.69 C ATOM 1491 CE LYS B 84 21.906 69.950 20.233 1.00100.00 C ATOM 1492 NZ LYS B 84 22.665 70.329 21.438 1.00100.00 N ATOM 0 H LYS B 84 23.801 69.830 16.126 1.00 28.76 H new ATOM 0 HA LYS B 84 21.431 70.531 15.459 1.00 29.91 H new ATOM 0 HB2 LYS B 84 23.408 71.812 16.997 1.00 22.48 H new ATOM 0 HB3 LYS B 84 22.013 72.486 16.816 1.00 22.48 H new ATOM 0 HG2 LYS B 84 20.978 70.434 17.470 1.00 22.07 H new ATOM 0 HG3 LYS B 84 22.392 69.832 17.736 1.00 22.07 H new ATOM 0 HD2 LYS B 84 22.500 71.740 19.389 1.00 39.69 H new ATOM 0 HD3 LYS B 84 20.951 71.560 19.358 1.00 39.69 H new ATOM 0 HE2 LYS B 84 21.016 69.664 20.492 1.00100.00 H new ATOM 0 HE3 LYS B 84 22.336 69.190 19.810 1.00100.00 H new ATOM 0 HZ1 LYS B 84 22.704 69.636 21.995 1.00100.00 H new ATOM 0 HZ2 LYS B 84 23.490 70.570 21.206 1.00100.00 H new ATOM 0 HZ3 LYS B 84 22.260 71.011 21.842 1.00100.00 H new ATOM 1493 N GLU B 85 23.470 72.239 14.003 1.00 14.29 N ATOM 1494 CA GLU B 85 23.747 73.095 12.924 1.00 38.24 C ATOM 1495 C GLU B 85 23.490 72.439 11.594 1.00 29.22 C ATOM 1496 O GLU B 85 22.673 72.897 10.793 1.00 48.64 O ATOM 1497 CB GLU B 85 25.209 73.437 12.949 1.00 25.45 C ATOM 1498 CG GLU B 85 25.393 74.836 12.401 1.00100.00 C ATOM 1499 CD GLU B 85 26.809 75.265 12.409 1.00100.00 C ATOM 1500 OE1 GLU B 85 27.448 75.432 11.379 1.00100.00 O ATOM 1501 OE2 GLU B 85 27.283 75.415 13.633 1.00100.00 O ATOM 0 H GLU B 85 24.170 71.997 14.440 1.00 14.29 H new ATOM 0 HA GLU B 85 23.172 73.871 13.018 1.00 38.24 H new ATOM 0 HB2 GLU B 85 25.551 73.384 13.855 1.00 25.45 H new ATOM 0 HB3 GLU B 85 25.712 72.800 12.418 1.00 25.45 H new ATOM 0 HG2 GLU B 85 25.052 74.872 11.494 1.00100.00 H new ATOM 0 HG3 GLU B 85 24.866 75.458 12.927 1.00100.00 H new ATOM 1502 N LYS B 86 24.228 71.353 11.357 1.00 38.55 N ATOM 1503 CA LYS B 86 24.094 70.622 10.121 1.00 22.59 C ATOM 1504 C LYS B 86 22.661 70.309 9.861 1.00 30.78 C ATOM 1505 O LYS B 86 22.124 70.536 8.782 1.00 44.03 O ATOM 1506 CB LYS B 86 24.868 69.331 10.153 1.00 31.46 C ATOM 1507 CG LYS B 86 26.310 69.573 9.845 1.00 15.83 C ATOM 1508 CD LYS B 86 26.499 70.299 8.541 1.00 39.04 C ATOM 1509 CE LYS B 86 27.932 70.736 8.413 1.00 58.19 C ATOM 1510 NZ LYS B 86 28.193 71.575 7.242 1.00100.00 N ATOM 0 H LYS B 86 24.808 71.032 11.905 1.00 38.55 H new ATOM 0 HA LYS B 86 24.450 71.184 9.415 1.00 22.59 H new ATOM 0 HB2 LYS B 86 24.784 68.919 11.027 1.00 31.46 H new ATOM 0 HB3 LYS B 86 24.495 68.709 9.509 1.00 31.46 H new ATOM 0 HG2 LYS B 86 26.710 70.090 10.562 1.00 15.83 H new ATOM 0 HG3 LYS B 86 26.779 68.724 9.812 1.00 15.83 H new ATOM 0 HD2 LYS B 86 26.260 69.720 7.800 1.00 39.04 H new ATOM 0 HD3 LYS B 86 25.911 71.069 8.501 1.00 39.04 H new ATOM 0 HE2 LYS B 86 28.185 71.224 9.212 1.00 58.19 H new ATOM 0 HE3 LYS B 86 28.498 69.950 8.369 1.00 58.19 H new ATOM 0 HZ1 LYS B 86 29.054 71.799 7.223 1.00100.00 H new ATOM 0 HZ2 LYS B 86 27.988 71.125 6.502 1.00100.00 H new ATOM 0 HZ3 LYS B 86 27.696 72.312 7.288 1.00100.00 H new ATOM 1511 N LEU B 87 22.025 69.772 10.862 1.00 29.72 N ATOM 1512 CA LEU B 87 20.653 69.435 10.663 1.00 46.79 C ATOM 1513 C LEU B 87 19.675 70.620 10.647 1.00 49.78 C ATOM 1514 O LEU B 87 18.615 70.532 10.026 1.00 45.83 O ATOM 1515 CB LEU B 87 20.166 68.210 11.510 1.00 69.84 C ATOM 1516 CG LEU B 87 20.958 66.890 11.348 1.00 18.56 C ATOM 1517 CD1 LEU B 87 20.354 65.825 12.267 1.00 28.11 C ATOM 1518 CD2 LEU B 87 20.905 66.406 9.905 1.00 33.50 C ATOM 0 H LEU B 87 22.353 69.599 11.638 1.00 29.72 H new ATOM 0 HA LEU B 87 20.633 69.125 9.744 1.00 46.79 H new ATOM 0 HB2 LEU B 87 20.187 68.462 12.446 1.00 69.84 H new ATOM 0 HB3 LEU B 87 19.239 68.036 11.284 1.00 69.84 H new ATOM 0 HG LEU B 87 21.885 67.048 11.587 1.00 18.56 H new ATOM 0 HD11 LEU B 87 20.847 64.995 12.169 1.00 28.11 H new ATOM 0 HD12 LEU B 87 20.406 66.125 13.188 1.00 28.11 H new ATOM 0 HD13 LEU B 87 19.426 65.679 12.027 1.00 28.11 H new ATOM 0 HD21 LEU B 87 21.406 65.579 9.822 1.00 33.50 H new ATOM 0 HD22 LEU B 87 19.982 66.252 9.649 1.00 33.50 H new ATOM 0 HD23 LEU B 87 21.293 67.078 9.324 1.00 33.50 H new ATOM 1519 N ASP B 88 20.026 71.710 11.315 1.00 47.04 N ATOM 1520 CA ASP B 88 19.106 72.773 11.316 1.00 47.08 C ATOM 1521 C ASP B 88 17.959 72.259 12.143 1.00 31.11 C ATOM 1522 O ASP B 88 16.794 72.420 11.799 1.00 55.82 O ATOM 1523 CB ASP B 88 18.601 72.991 9.914 1.00 37.71 C ATOM 1524 CG ASP B 88 18.485 74.430 9.711 1.00 44.57 C ATOM 1525 OD1 ASP B 88 18.355 74.936 8.621 1.00100.00 O ATOM 1526 OD2 ASP B 88 18.631 75.092 10.834 1.00100.00 O ATOM 0 H ASP B 88 20.759 71.832 11.747 1.00 47.04 H new ATOM 0 HA ASP B 88 19.490 73.600 11.647 1.00 47.08 H new ATOM 0 HB2 ASP B 88 19.211 72.603 9.267 1.00 37.71 H new ATOM 0 HB3 ASP B 88 17.742 72.558 9.789 1.00 37.71 H new ATOM 1527 N ASP B 89 18.323 71.590 13.231 1.00 46.73 N ATOM 1528 CA ASP B 89 17.412 70.988 14.189 1.00 30.24 C ATOM 1529 C ASP B 89 18.073 71.199 15.550 1.00 43.44 C ATOM 1530 O ASP B 89 19.195 70.756 15.790 1.00 59.51 O ATOM 1531 CB ASP B 89 17.113 69.501 13.818 1.00 48.52 C ATOM 1532 CG ASP B 89 16.237 68.725 14.770 1.00 27.65 C ATOM 1533 OD1 ASP B 89 15.932 67.559 14.586 1.00 96.95 O ATOM 1534 OD2 ASP B 89 15.861 69.421 15.813 1.00 43.57 O ATOM 0 H ASP B 89 19.149 71.470 13.439 1.00 46.73 H new ATOM 0 HA ASP B 89 16.531 71.394 14.195 1.00 30.24 H new ATOM 0 HB2 ASP B 89 16.695 69.486 12.943 1.00 48.52 H new ATOM 0 HB3 ASP B 89 17.959 69.034 13.737 1.00 48.52 H new ATOM 1535 N LYS B 90 17.359 71.931 16.410 1.00 51.30 N ATOM 1536 CA LYS B 90 17.763 72.320 17.766 1.00 31.96 C ATOM 1537 C LYS B 90 17.646 71.163 18.740 1.00 32.36 C ATOM 1538 O LYS B 90 18.164 71.178 19.860 1.00 50.36 O ATOM 1539 CB LYS B 90 16.858 73.486 18.237 1.00 88.84 C ATOM 1540 CG LYS B 90 17.464 74.903 18.291 1.00100.00 C ATOM 1541 CD LYS B 90 16.543 75.881 19.053 1.00100.00 C ATOM 1542 CE LYS B 90 17.092 77.305 19.201 1.00100.00 C ATOM 1543 NZ LYS B 90 16.153 78.247 19.853 1.00100.00 N ATOM 0 H LYS B 90 16.580 72.232 16.205 1.00 51.30 H new ATOM 0 HA LYS B 90 18.693 72.593 17.744 1.00 31.96 H new ATOM 0 HB2 LYS B 90 16.085 73.516 17.651 1.00 88.84 H new ATOM 0 HB3 LYS B 90 16.533 73.269 19.125 1.00 88.84 H new ATOM 0 HG2 LYS B 90 18.331 74.869 18.724 1.00100.00 H new ATOM 0 HG3 LYS B 90 17.609 75.229 17.389 1.00100.00 H new ATOM 0 HD2 LYS B 90 15.689 75.924 18.595 1.00100.00 H new ATOM 0 HD3 LYS B 90 16.372 75.521 19.937 1.00100.00 H new ATOM 0 HE2 LYS B 90 17.914 77.273 19.716 1.00100.00 H new ATOM 0 HE3 LYS B 90 17.321 77.647 18.322 1.00100.00 H new ATOM 0 HZ1 LYS B 90 16.530 79.051 19.908 1.00100.00 H new ATOM 0 HZ2 LYS B 90 15.406 78.302 19.372 1.00100.00 H new ATOM 0 HZ3 LYS B 90 15.958 77.954 20.671 1.00100.00 H new ATOM 1544 N LYS B 91 16.948 70.167 18.267 1.00 31.98 N ATOM 1545 CA LYS B 91 16.697 68.984 19.012 1.00100.00 C ATOM 1546 C LYS B 91 17.615 67.831 18.594 1.00 25.28 C ATOM 1547 O LYS B 91 17.414 66.674 18.966 1.00 72.03 O ATOM 1548 CB LYS B 91 15.207 68.667 18.952 1.00 26.68 C ATOM 1549 CG LYS B 91 14.363 69.372 20.044 1.00100.00 C ATOM 1550 CD LYS B 91 12.874 68.927 20.044 1.00100.00 C ATOM 1551 CE LYS B 91 11.825 70.023 20.392 1.00100.00 C ATOM 1552 NZ LYS B 91 10.459 69.742 19.886 1.00100.00 N ATOM 0 H LYS B 91 16.599 70.164 17.481 1.00 31.98 H new ATOM 0 HA LYS B 91 16.922 69.126 19.945 1.00100.00 H new ATOM 0 HB2 LYS B 91 14.867 68.922 18.080 1.00 26.68 H new ATOM 0 HB3 LYS B 91 15.087 67.708 19.034 1.00 26.68 H new ATOM 0 HG2 LYS B 91 14.750 69.188 20.914 1.00100.00 H new ATOM 0 HG3 LYS B 91 14.408 70.332 19.911 1.00100.00 H new ATOM 0 HD2 LYS B 91 12.663 68.571 19.167 1.00100.00 H new ATOM 0 HD3 LYS B 91 12.774 68.199 20.677 1.00100.00 H new ATOM 0 HE2 LYS B 91 11.787 70.125 21.356 1.00100.00 H new ATOM 0 HE3 LYS B 91 12.125 70.871 20.028 1.00100.00 H new ATOM 0 HZ1 LYS B 91 9.913 70.405 20.119 1.00100.00 H new ATOM 0 HZ2 LYS B 91 10.479 69.673 18.999 1.00100.00 H new ATOM 0 HZ3 LYS B 91 10.164 68.979 20.236 1.00100.00 H new ATOM 1553 N ALA B 92 18.640 68.176 17.818 1.00 42.63 N ATOM 1554 CA ALA B 92 19.601 67.190 17.365 1.00 29.44 C ATOM 1555 C ALA B 92 20.394 66.682 18.582 1.00 40.59 C ATOM 1556 O ALA B 92 20.893 67.484 19.364 1.00 36.50 O ATOM 1557 CB ALA B 92 20.550 67.818 16.351 1.00 21.69 C ATOM 0 H ALA B 92 18.792 68.977 17.545 1.00 42.63 H new ATOM 0 HA ALA B 92 19.140 66.450 16.940 1.00 29.44 H new ATOM 0 HB1 ALA B 92 21.190 67.153 16.052 1.00 21.69 H new ATOM 0 HB2 ALA B 92 20.043 68.143 15.591 1.00 21.69 H new ATOM 0 HB3 ALA B 92 21.022 68.558 16.764 1.00 21.69 H new ATOM 1558 N LYS B 93 20.513 65.366 18.766 1.00 26.24 N ATOM 1559 CA LYS B 93 21.262 64.820 19.916 1.00 36.72 C ATOM 1560 C LYS B 93 22.356 63.848 19.428 1.00 52.13 C ATOM 1561 O LYS B 93 22.123 63.071 18.507 1.00 20.85 O ATOM 1562 CB LYS B 93 20.314 64.089 20.876 1.00 44.99 C ATOM 1563 CG LYS B 93 19.215 63.381 20.055 1.00100.00 C ATOM 1564 CD LYS B 93 18.278 62.359 20.784 1.00100.00 C ATOM 1565 CE LYS B 93 16.949 62.011 20.035 1.00100.00 C ATOM 1566 NZ LYS B 93 16.257 60.794 20.532 1.00100.00 N ATOM 0 H LYS B 93 20.173 64.772 18.245 1.00 26.24 H new ATOM 0 HA LYS B 93 21.679 65.559 20.387 1.00 36.72 H new ATOM 0 HB2 LYS B 93 20.806 63.442 21.405 1.00 44.99 H new ATOM 0 HB3 LYS B 93 19.915 64.718 21.497 1.00 44.99 H new ATOM 0 HG2 LYS B 93 18.653 64.067 19.661 1.00100.00 H new ATOM 0 HG3 LYS B 93 19.648 62.914 19.323 1.00100.00 H new ATOM 0 HD2 LYS B 93 18.773 61.538 20.931 1.00100.00 H new ATOM 0 HD3 LYS B 93 18.055 62.715 21.658 1.00100.00 H new ATOM 0 HE2 LYS B 93 16.344 62.765 20.108 1.00100.00 H new ATOM 0 HE3 LYS B 93 17.144 61.895 19.092 1.00100.00 H new ATOM 0 HZ1 LYS B 93 15.514 60.661 20.060 1.00100.00 H new ATOM 0 HZ2 LYS B 93 16.794 60.090 20.443 1.00100.00 H new ATOM 0 HZ3 LYS B 93 16.048 60.901 21.390 1.00100.00 H new ATOM 1567 N THR B 94 23.547 63.891 20.061 1.00 28.65 N ATOM 1568 CA THR B 94 24.693 63.033 19.717 1.00 29.06 C ATOM 1569 C THR B 94 24.884 61.903 20.716 1.00 23.82 C ATOM 1570 O THR B 94 24.554 62.022 21.897 1.00 46.16 O ATOM 1571 CB THR B 94 25.996 63.855 19.701 1.00 36.59 C ATOM 1572 OG1 THR B 94 27.086 63.030 19.329 1.00 34.17 O ATOM 1573 CG2 THR B 94 26.236 64.421 21.099 1.00 27.13 C ATOM 0 H THR B 94 23.709 64.430 20.712 1.00 28.65 H new ATOM 0 HA THR B 94 24.501 62.662 18.842 1.00 29.06 H new ATOM 0 HB THR B 94 25.918 64.577 19.058 1.00 36.59 H new ATOM 0 HG1 THR B 94 27.048 62.869 18.505 1.00 34.17 H new ATOM 0 HG21 THR B 94 27.055 64.941 21.102 1.00 27.13 H new ATOM 0 HG22 THR B 94 25.491 64.990 21.350 1.00 27.13 H new ATOM 0 HG23 THR B 94 26.315 63.692 21.734 1.00 27.13 H new ATOM 1574 N GLY B 95 25.436 60.807 20.234 1.00 19.72 N ATOM 1575 CA GLY B 95 25.680 59.677 21.090 1.00 19.60 C ATOM 1576 C GLY B 95 27.124 59.669 21.575 1.00 14.21 C ATOM 1577 O GLY B 95 27.513 58.835 22.387 1.00 26.90 O ATOM 0 H GLY B 95 25.675 60.701 19.415 1.00 19.72 H new ATOM 0 HA2 GLY B 95 25.079 59.706 21.851 1.00 19.60 H new ATOM 0 HA3 GLY B 95 25.491 58.855 20.610 1.00 19.60 H new ATOM 1578 N MET B 96 27.923 60.617 21.057 1.00 17.53 N ATOM 1579 CA MET B 96 29.348 60.746 21.413 1.00 22.14 C ATOM 1580 C MET B 96 29.585 61.719 22.545 1.00 23.95 C ATOM 1581 O MET B 96 29.599 62.931 22.343 1.00 34.23 O ATOM 1582 CB MET B 96 30.219 61.185 20.208 1.00 18.67 C ATOM 1583 CG MET B 96 31.730 61.088 20.432 1.00 3.16 C ATOM 1584 SD MET B 96 32.675 61.283 18.897 1.00 18.28 S ATOM 1585 CE MET B 96 33.642 62.750 19.317 1.00 17.99 C ATOM 0 H MET B 96 27.653 61.203 20.489 1.00 17.53 H new ATOM 0 HA MET B 96 29.610 59.857 21.699 1.00 22.14 H new ATOM 0 HB2 MET B 96 29.984 60.640 19.441 1.00 18.67 H new ATOM 0 HB3 MET B 96 29.997 62.102 19.983 1.00 18.67 H new ATOM 0 HG2 MET B 96 32.004 61.769 21.066 1.00 3.16 H new ATOM 0 HG3 MET B 96 31.940 60.229 20.831 1.00 3.16 H new ATOM 0 HE1 MET B 96 33.804 63.272 18.515 1.00 17.99 H new ATOM 0 HE2 MET B 96 33.152 63.288 19.959 1.00 17.99 H new ATOM 0 HE3 MET B 96 34.490 62.479 19.703 1.00 17.99 H new ATOM 1586 N ALA B 97 29.787 61.188 23.738 1.00 55.05 N ATOM 1587 CA ALA B 97 30.023 62.033 24.892 1.00 55.11 C ATOM 1588 C ALA B 97 31.464 62.361 25.099 1.00 18.83 C ATOM 1589 O ALA B 97 32.123 61.845 26.004 1.00 44.59 O ATOM 1590 CB ALA B 97 29.459 61.426 26.160 1.00 37.04 C ATOM 0 H ALA B 97 29.791 60.344 23.901 1.00 55.05 H new ATOM 0 HA ALA B 97 29.556 62.861 24.697 1.00 55.11 H new ATOM 0 HB1 ALA B 97 29.635 62.017 26.908 1.00 37.04 H new ATOM 0 HB2 ALA B 97 28.502 61.305 26.063 1.00 37.04 H new ATOM 0 HB3 ALA B 97 29.878 60.567 26.322 1.00 37.04 H new ATOM 1591 N PHE B 98 31.953 63.227 24.277 1.00 40.38 N ATOM 1592 CA PHE B 98 33.313 63.593 24.403 1.00 13.20 C ATOM 1593 C PHE B 98 33.600 64.795 23.542 1.00 27.93 C ATOM 1594 O PHE B 98 33.113 64.859 22.420 1.00 42.70 O ATOM 1595 CB PHE B 98 34.170 62.441 23.916 1.00 13.29 C ATOM 1596 CG PHE B 98 35.588 62.817 24.000 1.00 22.33 C ATOM 1597 CD1 PHE B 98 36.245 63.344 22.891 1.00 37.97 C ATOM 1598 CD2 PHE B 98 36.242 62.643 25.219 1.00 11.62 C ATOM 1599 CE1 PHE B 98 37.581 63.700 23.011 1.00 18.89 C ATOM 1600 CE2 PHE B 98 37.577 62.990 25.361 1.00 23.62 C ATOM 1601 CZ PHE B 98 38.223 63.511 24.240 1.00 31.61 C ATOM 0 H PHE B 98 31.519 63.613 23.643 1.00 40.38 H new ATOM 0 HA PHE B 98 33.508 63.801 25.330 1.00 13.20 H new ATOM 0 HB2 PHE B 98 34.002 61.651 24.453 1.00 13.29 H new ATOM 0 HB3 PHE B 98 33.938 62.217 23.001 1.00 13.29 H new ATOM 0 HD1 PHE B 98 35.796 63.455 22.084 1.00 37.97 H new ATOM 0 HD2 PHE B 98 35.778 62.291 25.944 1.00 11.62 H new ATOM 0 HE1 PHE B 98 38.042 64.058 22.287 1.00 18.89 H new ATOM 0 HE2 PHE B 98 38.023 62.880 26.170 1.00 23.62 H new ATOM 0 HZ PHE B 98 39.121 63.743 24.313 1.00 31.61 H new ATOM 1602 N LYS B 99 34.388 65.753 24.051 1.00 42.52 N ATOM 1603 CA LYS B 99 34.747 66.960 23.297 1.00 29.15 C ATOM 1604 C LYS B 99 36.232 67.136 23.251 1.00 10.79 C ATOM 1605 O LYS B 99 36.945 66.856 24.215 1.00 53.22 O ATOM 1606 CB LYS B 99 34.194 68.283 23.873 1.00 26.88 C ATOM 1607 CG LYS B 99 32.720 68.248 24.180 1.00100.00 C ATOM 1608 CD LYS B 99 32.077 69.534 24.697 1.00100.00 C ATOM 1609 CE LYS B 99 30.616 69.240 25.039 1.00100.00 C ATOM 1610 NZ LYS B 99 29.857 70.392 25.529 1.00100.00 N ATOM 0 H LYS B 99 34.727 65.719 24.841 1.00 42.52 H new ATOM 0 HA LYS B 99 34.350 66.806 22.426 1.00 29.15 H new ATOM 0 HB2 LYS B 99 34.679 68.500 24.685 1.00 26.88 H new ATOM 0 HB3 LYS B 99 34.366 68.998 23.240 1.00 26.88 H new ATOM 0 HG2 LYS B 99 32.252 67.983 23.373 1.00100.00 H new ATOM 0 HG3 LYS B 99 32.568 67.552 24.838 1.00100.00 H new ATOM 0 HD2 LYS B 99 32.549 69.856 25.481 1.00100.00 H new ATOM 0 HD3 LYS B 99 32.133 70.232 24.026 1.00100.00 H new ATOM 0 HE2 LYS B 99 30.176 68.891 24.248 1.00100.00 H new ATOM 0 HE3 LYS B 99 30.588 68.541 25.711 1.00100.00 H new ATOM 0 HZ1 LYS B 99 29.021 70.144 25.706 1.00100.00 H new ATOM 0 HZ2 LYS B 99 30.236 70.704 26.271 1.00100.00 H new ATOM 0 HZ3 LYS B 99 29.852 71.030 24.908 1.00100.00 H new ATOM 1611 N LEU B 100 36.697 67.622 22.134 1.00 39.71 N ATOM 1612 CA LEU B 100 38.092 67.855 22.002 1.00 26.94 C ATOM 1613 C LEU B 100 38.336 69.331 21.797 1.00 11.44 C ATOM 1614 O LEU B 100 38.226 69.866 20.694 1.00 54.05 O ATOM 1615 CB LEU B 100 38.774 67.023 20.903 1.00 23.34 C ATOM 1616 CG LEU B 100 40.289 66.924 21.091 1.00 28.12 C ATOM 1617 CD1 LEU B 100 40.601 65.923 22.192 1.00 56.73 C ATOM 1618 CD2 LEU B 100 40.953 66.471 19.799 1.00 32.14 C ATOM 0 H LEU B 100 36.222 67.822 21.446 1.00 39.71 H new ATOM 0 HA LEU B 100 38.503 67.558 22.829 1.00 26.94 H new ATOM 0 HB2 LEU B 100 38.394 66.131 20.896 1.00 23.34 H new ATOM 0 HB3 LEU B 100 38.584 67.419 20.038 1.00 23.34 H new ATOM 0 HG LEU B 100 40.631 67.798 21.334 1.00 28.12 H new ATOM 0 HD11 LEU B 100 41.562 65.861 22.310 1.00 56.73 H new ATOM 0 HD12 LEU B 100 40.192 66.216 23.021 1.00 56.73 H new ATOM 0 HD13 LEU B 100 40.249 65.053 21.948 1.00 56.73 H new ATOM 0 HD21 LEU B 100 41.912 66.412 19.931 1.00 32.14 H new ATOM 0 HD22 LEU B 100 40.608 65.601 19.546 1.00 32.14 H new ATOM 0 HD23 LEU B 100 40.763 67.111 19.095 1.00 32.14 H new ATOM 1619 N ALA B 101 38.655 69.948 22.905 1.00100.00 N ATOM 1620 CA ALA B 101 38.981 71.331 23.103 1.00 29.13 C ATOM 1621 C ALA B 101 39.870 71.900 22.000 1.00 73.22 C ATOM 1622 O ALA B 101 39.545 72.862 21.299 1.00 48.21 O ATOM 1623 CB ALA B 101 39.845 71.268 24.328 1.00100.00 C ATOM 0 H ALA B 101 38.690 69.515 23.647 1.00100.00 H new ATOM 0 HA ALA B 101 38.180 71.876 23.141 1.00 29.13 H new ATOM 0 HB1 ALA B 101 40.134 72.163 24.566 1.00100.00 H new ATOM 0 HB2 ALA B 101 39.339 70.886 25.062 1.00100.00 H new ATOM 0 HB3 ALA B 101 40.621 70.715 24.149 1.00100.00 H new ATOM 1624 N LYS B 102 41.024 71.259 21.893 1.00 37.68 N ATOM 1625 CA LYS B 102 42.035 71.614 20.936 1.00 74.36 C ATOM 1626 C LYS B 102 42.666 70.404 20.320 1.00 45.19 C ATOM 1627 O LYS B 102 42.755 69.331 20.924 1.00 55.32 O ATOM 1628 CB LYS B 102 43.124 72.463 21.576 1.00100.00 C ATOM 1629 CG LYS B 102 43.295 73.840 20.935 1.00100.00 C ATOM 1630 CD LYS B 102 44.110 74.798 21.810 1.00100.00 C ATOM 1631 CE LYS B 102 44.486 76.127 21.151 1.00100.00 C ATOM 1632 NZ LYS B 102 45.574 76.833 21.859 1.00100.00 N ATOM 0 H LYS B 102 41.239 70.591 22.390 1.00 37.68 H new ATOM 0 HA LYS B 102 41.590 72.125 20.242 1.00 74.36 H new ATOM 0 HB2 LYS B 102 42.921 72.578 22.517 1.00100.00 H new ATOM 0 HB3 LYS B 102 43.967 71.985 21.524 1.00100.00 H new ATOM 0 HG2 LYS B 102 43.733 73.741 20.075 1.00100.00 H new ATOM 0 HG3 LYS B 102 42.421 74.225 20.766 1.00100.00 H new ATOM 0 HD2 LYS B 102 43.604 74.986 22.616 1.00100.00 H new ATOM 0 HD3 LYS B 102 44.924 74.348 22.084 1.00100.00 H new ATOM 0 HE2 LYS B 102 44.756 75.963 20.234 1.00100.00 H new ATOM 0 HE3 LYS B 102 43.703 76.699 21.118 1.00100.00 H new ATOM 0 HZ1 LYS B 102 45.755 77.596 21.439 1.00100.00 H new ATOM 0 HZ2 LYS B 102 45.321 77.007 22.694 1.00100.00 H new ATOM 0 HZ3 LYS B 102 46.302 76.321 21.871 1.00100.00 H new ATOM 1633 N GLY B 103 43.116 70.591 19.108 1.00 67.10 N ATOM 1634 CA GLY B 103 43.745 69.513 18.421 1.00 34.65 C ATOM 1635 C GLY B 103 42.810 68.804 17.467 1.00 67.43 C ATOM 1636 O GLY B 103 43.250 67.961 16.697 1.00 47.35 O ATOM 0 H GLY B 103 43.066 71.330 18.671 1.00 67.10 H new ATOM 0 HA2 GLY B 103 44.509 69.851 17.928 1.00 34.65 H new ATOM 0 HA3 GLY B 103 44.084 68.876 19.069 1.00 34.65 H new ATOM 1637 N GLY B 104 41.524 69.124 17.488 1.00 26.98 N ATOM 1638 CA GLY B 104 40.636 68.446 16.563 1.00 62.97 C ATOM 1639 C GLY B 104 41.233 68.348 15.142 1.00 23.40 C ATOM 1640 O GLY B 104 41.087 67.336 14.462 1.00 37.01 O ATOM 0 H GLY B 104 41.159 69.705 18.006 1.00 26.98 H new ATOM 0 HA2 GLY B 104 40.447 67.554 16.894 1.00 62.97 H new ATOM 0 HA3 GLY B 104 39.790 68.919 16.524 1.00 62.97 H new ATOM 1641 N GLU B 105 41.910 69.397 14.690 1.00 38.70 N ATOM 1642 CA GLU B 105 42.489 69.403 13.348 1.00 26.07 C ATOM 1643 C GLU B 105 43.638 68.431 13.025 1.00 42.80 C ATOM 1644 O GLU B 105 43.778 67.972 11.889 1.00 31.55 O ATOM 1645 CB GLU B 105 42.712 70.821 12.814 1.00100.00 C ATOM 1646 CG GLU B 105 41.697 71.174 11.708 1.00100.00 C ATOM 1647 CD GLU B 105 41.896 72.554 11.157 1.00100.00 C ATOM 1648 OE1 GLU B 105 41.334 73.534 11.602 1.00100.00 O ATOM 1649 OE2 GLU B 105 42.796 72.595 10.207 1.00100.00 O ATOM 0 H GLU B 105 42.046 70.116 15.142 1.00 38.70 H new ATOM 0 HA GLU B 105 41.779 68.988 12.833 1.00 26.07 H new ATOM 0 HB2 GLU B 105 42.634 71.458 13.541 1.00100.00 H new ATOM 0 HB3 GLU B 105 43.613 70.898 12.464 1.00100.00 H new ATOM 0 HG2 GLU B 105 41.772 70.529 10.988 1.00100.00 H new ATOM 0 HG3 GLU B 105 40.798 71.099 12.064 1.00100.00 H new ATOM 1650 N ASP B 106 44.448 68.133 14.024 1.00 19.31 N ATOM 1651 CA ASP B 106 45.583 67.238 13.895 1.00 20.63 C ATOM 1652 C ASP B 106 45.137 65.795 13.869 1.00 19.01 C ATOM 1653 O ASP B 106 45.635 64.973 13.098 1.00 24.50 O ATOM 1654 CB ASP B 106 46.506 67.460 15.094 1.00 41.40 C ATOM 1655 CG ASP B 106 46.961 68.882 15.169 1.00 39.69 C ATOM 1656 OD1 ASP B 106 46.559 69.683 15.995 1.00 88.02 O ATOM 1657 OD2 ASP B 106 47.795 69.179 14.207 1.00 48.88 O ATOM 0 H ASP B 106 44.352 68.453 14.816 1.00 19.31 H new ATOM 0 HA ASP B 106 46.044 67.426 13.063 1.00 20.63 H new ATOM 0 HB2 ASP B 106 46.041 67.223 15.912 1.00 41.40 H new ATOM 0 HB3 ASP B 106 47.276 66.874 15.025 1.00 41.40 H new ATOM 1658 N VAL B 107 44.186 65.501 14.741 1.00 25.44 N ATOM 1659 CA VAL B 107 43.647 64.176 14.832 1.00 21.79 C ATOM 1660 C VAL B 107 42.985 63.832 13.482 1.00 16.26 C ATOM 1661 O VAL B 107 43.116 62.719 12.965 1.00 52.77 O ATOM 1662 CB VAL B 107 42.735 64.034 16.054 1.00 22.32 C ATOM 1663 CG1 VAL B 107 41.327 64.523 15.739 1.00 32.43 C ATOM 1664 CG2 VAL B 107 42.705 62.584 16.518 1.00 41.65 C ATOM 0 H VAL B 107 43.842 66.066 15.290 1.00 25.44 H new ATOM 0 HA VAL B 107 44.346 63.520 14.984 1.00 21.79 H new ATOM 0 HB VAL B 107 43.091 64.584 16.769 1.00 22.32 H new ATOM 0 HG11 VAL B 107 40.767 64.425 16.525 1.00 32.43 H new ATOM 0 HG12 VAL B 107 41.359 65.457 15.480 1.00 32.43 H new ATOM 0 HG13 VAL B 107 40.957 63.999 15.011 1.00 32.43 H new ATOM 0 HG21 VAL B 107 42.125 62.504 17.292 1.00 41.65 H new ATOM 0 HG22 VAL B 107 42.368 62.022 15.803 1.00 41.65 H new ATOM 0 HG23 VAL B 107 43.602 62.301 16.756 1.00 41.65 H new ATOM 1665 N ALA B 108 42.286 64.855 12.926 1.00 43.15 N ATOM 1666 CA ALA B 108 41.589 64.803 11.642 1.00 19.26 C ATOM 1667 C ALA B 108 42.617 64.415 10.600 1.00 15.41 C ATOM 1668 O ALA B 108 42.415 63.535 9.770 1.00 30.09 O ATOM 1669 CB ALA B 108 40.954 66.164 11.326 1.00 18.85 C ATOM 0 H ALA B 108 42.211 65.620 13.313 1.00 43.15 H new ATOM 0 HA ALA B 108 40.867 64.155 11.657 1.00 19.26 H new ATOM 0 HB1 ALA B 108 40.495 66.117 10.473 1.00 18.85 H new ATOM 0 HB2 ALA B 108 40.319 66.394 12.022 1.00 18.85 H new ATOM 0 HB3 ALA B 108 41.646 66.842 11.283 1.00 18.85 H new ATOM 1670 N ALA B 109 43.744 65.071 10.669 1.00 32.93 N ATOM 1671 CA ALA B 109 44.805 64.786 9.750 1.00 21.29 C ATOM 1672 C ALA B 109 45.222 63.322 9.802 1.00 30.87 C ATOM 1673 O ALA B 109 45.371 62.656 8.778 1.00 60.60 O ATOM 1674 CB ALA B 109 45.985 65.656 10.088 1.00 20.50 C ATOM 0 H ALA B 109 43.916 65.688 11.243 1.00 32.93 H new ATOM 0 HA ALA B 109 44.488 64.970 8.852 1.00 21.29 H new ATOM 0 HB1 ALA B 109 46.711 65.471 9.471 1.00 20.50 H new ATOM 0 HB2 ALA B 109 45.730 66.589 10.017 1.00 20.50 H new ATOM 0 HB3 ALA B 109 46.276 65.469 10.994 1.00 20.50 H new ATOM 1675 N TYR B 110 45.414 62.845 11.024 1.00 26.91 N ATOM 1676 CA TYR B 110 45.821 61.479 11.308 1.00 32.89 C ATOM 1677 C TYR B 110 44.855 60.448 10.720 1.00 28.92 C ATOM 1678 O TYR B 110 45.252 59.498 10.041 1.00 20.82 O ATOM 1679 CB TYR B 110 45.937 61.319 12.840 1.00 43.79 C ATOM 1680 CG TYR B 110 46.074 59.894 13.320 1.00 18.82 C ATOM 1681 CD1 TYR B 110 47.157 59.112 12.933 1.00 23.44 C ATOM 1682 CD2 TYR B 110 45.138 59.302 14.172 1.00 30.72 C ATOM 1683 CE1 TYR B 110 47.292 57.792 13.374 1.00 25.47 C ATOM 1684 CE2 TYR B 110 45.255 57.983 14.624 1.00 24.76 C ATOM 1685 CZ TYR B 110 46.345 57.215 14.220 1.00 39.23 C ATOM 1686 OH TYR B 110 46.489 55.918 14.650 1.00 37.94 O ATOM 0 H TYR B 110 45.308 63.322 11.732 1.00 26.91 H new ATOM 0 HA TYR B 110 46.678 61.312 10.886 1.00 32.89 H new ATOM 0 HB2 TYR B 110 46.705 61.826 13.148 1.00 43.79 H new ATOM 0 HB3 TYR B 110 45.153 61.712 13.254 1.00 43.79 H new ATOM 0 HD1 TYR B 110 47.803 59.474 12.371 1.00 23.44 H new ATOM 0 HD2 TYR B 110 44.407 59.805 14.450 1.00 30.72 H new ATOM 0 HE1 TYR B 110 48.025 57.291 13.099 1.00 25.47 H new ATOM 0 HE2 TYR B 110 44.611 57.622 15.189 1.00 24.76 H new ATOM 0 HH TYR B 110 46.535 55.904 15.489 1.00 37.94 H new ATOM 1687 N LEU B 111 43.581 60.657 11.004 1.00 18.72 N ATOM 1688 CA LEU B 111 42.518 59.814 10.538 1.00 21.77 C ATOM 1689 C LEU B 111 42.612 59.749 9.025 1.00 25.99 C ATOM 1690 O LEU B 111 42.420 58.708 8.394 1.00 20.27 O ATOM 1691 CB LEU B 111 41.198 60.432 11.017 1.00 18.33 C ATOM 1692 CG LEU B 111 40.533 59.631 12.128 1.00 20.88 C ATOM 1693 CD1 LEU B 111 41.504 58.607 12.739 1.00 14.49 C ATOM 1694 CD2 LEU B 111 39.957 60.575 13.180 1.00 5.84 C ATOM 0 H LEU B 111 43.311 61.315 11.488 1.00 18.72 H new ATOM 0 HA LEU B 111 42.573 58.909 10.882 1.00 21.77 H new ATOM 0 HB2 LEU B 111 41.365 61.334 11.331 1.00 18.33 H new ATOM 0 HB3 LEU B 111 40.588 60.501 10.266 1.00 18.33 H new ATOM 0 HG LEU B 111 39.799 59.122 11.749 1.00 20.88 H new ATOM 0 HD11 LEU B 111 41.054 58.113 13.442 1.00 14.49 H new ATOM 0 HD12 LEU B 111 41.800 57.991 12.051 1.00 14.49 H new ATOM 0 HD13 LEU B 111 42.271 59.070 13.110 1.00 14.49 H new ATOM 0 HD21 LEU B 111 39.535 60.057 13.884 1.00 5.84 H new ATOM 0 HD22 LEU B 111 40.670 61.113 13.558 1.00 5.84 H new ATOM 0 HD23 LEU B 111 39.298 61.156 12.768 1.00 5.84 H new ATOM 1695 N ALA B 112 42.936 60.884 8.447 1.00 17.09 N ATOM 1696 CA ALA B 112 43.078 60.957 7.018 1.00 17.08 C ATOM 1697 C ALA B 112 44.322 60.214 6.549 1.00 24.18 C ATOM 1698 O ALA B 112 44.314 59.580 5.498 1.00 36.33 O ATOM 1699 CB ALA B 112 43.169 62.402 6.577 1.00 23.92 C ATOM 0 H ALA B 112 43.078 61.622 8.865 1.00 17.09 H new ATOM 0 HA ALA B 112 42.297 60.539 6.622 1.00 17.08 H new ATOM 0 HB1 ALA B 112 43.265 62.441 5.612 1.00 23.92 H new ATOM 0 HB2 ALA B 112 42.363 62.872 6.841 1.00 23.92 H new ATOM 0 HB3 ALA B 112 43.938 62.820 6.995 1.00 23.92 H new ATOM 1700 N SER B 113 45.402 60.307 7.332 1.00 37.32 N ATOM 1701 CA SER B 113 46.655 59.657 6.985 1.00 40.04 C ATOM 1702 C SER B 113 46.634 58.155 7.165 1.00 25.78 C ATOM 1703 O SER B 113 47.238 57.433 6.382 1.00 48.22 O ATOM 1704 CB SER B 113 47.834 60.246 7.719 1.00 31.63 C ATOM 1705 OG SER B 113 48.034 59.516 8.909 1.00100.00 O ATOM 0 H SER B 113 45.423 60.746 8.071 1.00 37.32 H new ATOM 0 HA SER B 113 46.761 59.831 6.037 1.00 40.04 H new ATOM 0 HB2 SER B 113 48.629 60.209 7.164 1.00 31.63 H new ATOM 0 HB3 SER B 113 47.672 61.181 7.921 1.00 31.63 H new ATOM 0 HG SER B 113 47.326 59.516 9.361 1.00100.00 H new ATOM 1706 N VAL B 114 45.954 57.665 8.184 1.00 52.56 N ATOM 1707 CA VAL B 114 45.922 56.228 8.398 1.00 49.41 C ATOM 1708 C VAL B 114 45.611 55.332 7.203 1.00 28.95 C ATOM 1709 O VAL B 114 46.198 54.274 7.096 1.00 46.33 O ATOM 1710 CB VAL B 114 45.024 55.799 9.549 1.00 38.72 C ATOM 1711 CG1 VAL B 114 45.417 56.507 10.837 1.00 43.68 C ATOM 1712 CG2 VAL B 114 43.573 56.102 9.207 1.00 48.63 C ATOM 0 H VAL B 114 45.512 58.133 8.754 1.00 52.56 H new ATOM 0 HA VAL B 114 46.858 56.083 8.609 1.00 49.41 H new ATOM 0 HB VAL B 114 45.130 54.844 9.685 1.00 38.72 H new ATOM 0 HG11 VAL B 114 44.833 56.219 11.556 1.00 43.68 H new ATOM 0 HG12 VAL B 114 46.335 56.288 11.060 1.00 43.68 H new ATOM 0 HG13 VAL B 114 45.334 57.466 10.718 1.00 43.68 H new ATOM 0 HG21 VAL B 114 43.003 55.828 9.942 1.00 48.63 H new ATOM 0 HG22 VAL B 114 43.468 57.054 9.055 1.00 48.63 H new ATOM 0 HG23 VAL B 114 43.321 55.618 8.405 1.00 48.63 H new ATOM 1713 N VAL B 115 44.709 55.667 6.326 1.00 33.64 N ATOM 1714 CA VAL B 115 44.414 54.730 5.230 1.00 35.27 C ATOM 1715 C VAL B 115 45.393 54.618 4.085 1.00 31.66 C ATOM 1716 O VAL B 115 45.336 53.706 3.247 1.00 56.76 O ATOM 1717 CB VAL B 115 43.135 55.166 4.624 1.00 34.01 C ATOM 1718 CG1 VAL B 115 41.998 54.914 5.601 1.00 14.98 C ATOM 1719 CG2 VAL B 115 43.240 56.655 4.310 1.00 32.02 C ATOM 0 H VAL B 115 44.259 56.400 6.326 1.00 33.64 H new ATOM 0 HA VAL B 115 44.429 53.860 5.659 1.00 35.27 H new ATOM 0 HB VAL B 115 42.957 54.669 3.810 1.00 34.01 H new ATOM 0 HG11 VAL B 115 41.160 55.200 5.204 1.00 14.98 H new ATOM 0 HG12 VAL B 115 41.952 53.967 5.807 1.00 14.98 H new ATOM 0 HG13 VAL B 115 42.155 55.414 6.417 1.00 14.98 H new ATOM 0 HG21 VAL B 115 42.410 56.961 3.911 1.00 32.02 H new ATOM 0 HG22 VAL B 115 43.406 57.148 5.129 1.00 32.02 H new ATOM 0 HG23 VAL B 115 43.971 56.804 3.690 1.00 32.02 H new ATOM 1720 N LYS B 116 46.254 55.576 4.066 1.00 43.75 N ATOM 1721 CA LYS B 116 47.267 55.730 3.085 1.00 48.51 C ATOM 1722 C LYS B 116 48.469 54.775 3.240 1.00100.00 C ATOM 1723 O LYS B 116 48.328 53.644 3.787 1.00 97.72 O ATOM 1724 CB LYS B 116 47.625 57.187 3.021 1.00 45.87 C ATOM 1725 CG LYS B 116 46.738 57.924 2.051 1.00 64.43 C ATOM 1726 CD LYS B 116 46.797 59.421 2.251 1.00100.00 C ATOM 1727 CE LYS B 116 45.644 60.163 1.585 1.00100.00 C ATOM 1728 NZ LYS B 116 45.812 61.628 1.581 1.00100.00 N ATOM 1729 OXT LYS B 116 49.538 55.008 2.670 1.00100.00 O ATOM 0 H LYS B 116 46.267 56.196 4.662 1.00 43.75 H new ATOM 0 HA LYS B 116 46.918 55.451 2.224 1.00 48.51 H new ATOM 0 HB2 LYS B 116 47.542 57.582 3.903 1.00 45.87 H new ATOM 0 HB3 LYS B 116 48.552 57.283 2.753 1.00 45.87 H new ATOM 0 HG2 LYS B 116 47.005 57.709 1.143 1.00 64.43 H new ATOM 0 HG3 LYS B 116 45.823 57.621 2.157 1.00 64.43 H new ATOM 0 HD2 LYS B 116 46.792 59.615 3.201 1.00100.00 H new ATOM 0 HD3 LYS B 116 47.636 59.756 1.898 1.00100.00 H new ATOM 0 HE2 LYS B 116 45.554 59.852 0.670 1.00100.00 H new ATOM 0 HE3 LYS B 116 44.818 59.940 2.043 1.00100.00 H new ATOM 0 HZ1 LYS B 116 45.112 62.006 1.182 1.00100.00 H new ATOM 0 HZ2 LYS B 116 45.870 61.923 2.419 1.00100.00 H new ATOM 0 HZ3 LYS B 116 46.555 61.841 1.140 1.00100.00 H new TER 1730 LYS B 116 HETATM 1731 FE HEM A 120 7.163 49.402 1.112 1.00 18.13 FE HETATM 1732 CHA HEM A 120 9.857 49.960 2.927 1.00 27.93 C HETATM 1733 CHB HEM A 120 8.283 46.276 0.442 1.00 35.69 C HETATM 1734 CHC HEM A 120 4.430 48.827 -0.735 1.00 13.61 C HETATM 1735 CHD HEM A 120 6.064 52.447 1.723 1.00 18.96 C HETATM 1736 NA HEM A 120 8.722 48.358 1.584 1.00 4.35 N HETATM 1737 C1A HEM A 120 9.740 48.766 2.383 1.00 12.96 C HETATM 1738 C2A HEM A 120 10.729 47.722 2.514 1.00 9.77 C HETATM 1739 C3A HEM A 120 10.323 46.670 1.828 1.00 10.38 C HETATM 1740 C4A HEM A 120 9.076 47.045 1.241 1.00 20.22 C HETATM 1741 CMA HEM A 120 11.006 45.334 1.669 1.00 14.64 C HETATM 1742 CAA HEM A 120 11.988 47.840 3.326 1.00 11.26 C HETATM 1743 CBA HEM A 120 13.077 48.456 2.458 1.00 10.30 C HETATM 1744 CGA HEM A 120 14.528 48.533 3.004 1.00 25.00 C HETATM 1745 O1A HEM A 120 14.678 47.997 4.066 1.00 31.00 O HETATM 1746 O2A HEM A 120 15.427 49.040 2.402 1.00 22.56 O HETATM 1747 NB HEM A 120 6.481 47.903 0.082 1.00 9.27 N HETATM 1748 C1B HEM A 120 7.117 46.695 -0.077 1.00 10.30 C HETATM 1749 C2B HEM A 120 6.311 45.888 -0.920 1.00 17.55 C HETATM 1750 C3B HEM A 120 5.278 46.622 -1.231 1.00 10.39 C HETATM 1751 C4B HEM A 120 5.369 47.862 -0.609 1.00 15.91 C HETATM 1752 CMB HEM A 120 6.652 44.436 -1.322 1.00 7.46 C HETATM 1753 CAB HEM A 120 4.139 46.206 -2.016 1.00 35.39 C HETATM 1754 CBB HEM A 120 3.309 45.018 -1.731 1.00 10.02 C HETATM 1755 NC HEM A 120 5.571 50.394 0.589 1.00 17.11 N HETATM 1756 C1C HEM A 120 4.477 50.031 -0.185 1.00 15.46 C HETATM 1757 C2C HEM A 120 3.492 51.064 -0.323 1.00 14.43 C HETATM 1758 C3C HEM A 120 3.973 52.075 0.373 1.00 21.37 C HETATM 1759 C4C HEM A 120 5.252 51.665 0.957 1.00 25.35 C HETATM 1760 CMC HEM A 120 2.199 50.952 -1.126 1.00 7.45 C HETATM 1761 CAC HEM A 120 3.357 53.417 0.575 1.00 20.51 C HETATM 1762 CBC HEM A 120 2.030 53.712 1.205 1.00 18.19 C HETATM 1763 ND HEM A 120 7.857 50.915 2.155 1.00 3.85 N HETATM 1764 C1D HEM A 120 7.269 52.147 2.268 1.00 21.73 C HETATM 1765 C2D HEM A 120 8.131 52.991 3.124 1.00 3.17 C HETATM 1766 C3D HEM A 120 9.190 52.269 3.418 1.00 7.37 C HETATM 1767 C4D HEM A 120 8.997 50.994 2.829 1.00 15.50 C HETATM 1768 CMD HEM A 120 7.845 54.410 3.544 1.00 11.48 C HETATM 1769 CAD HEM A 120 10.307 52.680 4.313 1.00 9.50 C HETATM 1770 CBD HEM A 120 10.008 52.005 5.678 1.00 11.05 C HETATM 1771 CGD HEM A 120 10.305 52.745 6.948 1.00 20.48 C HETATM 1772 O1D HEM A 120 9.823 52.489 8.031 1.00 27.07 O HETATM 1773 O2D HEM A 120 11.152 53.657 6.831 1.00 18.69 O HETATM 0 HMA1 HEM A 120 11.967 45.453 1.727 1.00 14.64 H new HETATM 0 HMA2 HEM A 120 10.779 44.955 0.805 1.00 14.64 H new HETATM 0 HMA3 HEM A 120 10.711 44.734 2.372 1.00 14.64 H new HETATM 0 HMB1 HEM A 120 5.832 43.940 -1.470 1.00 7.46 H new HETATM 0 HMB2 HEM A 120 7.160 44.014 -0.612 1.00 7.46 H new HETATM 0 HMB3 HEM A 120 7.178 44.441 -2.137 1.00 7.46 H new HETATM 0 HMC1 HEM A 120 1.518 51.513 -0.723 1.00 7.45 H new HETATM 0 HMC2 HEM A 120 1.898 50.030 -1.129 1.00 7.45 H new HETATM 0 HMC3 HEM A 120 2.358 51.242 -2.038 1.00 7.45 H new HETATM 0 HMD1 HEM A 120 8.245 54.578 4.412 1.00 11.48 H new HETATM 0 HMD2 HEM A 120 6.886 54.544 3.599 1.00 11.48 H new HETATM 0 HMD3 HEM A 120 8.220 55.022 2.892 1.00 11.48 H new HETATM 0 HBB1 HEM A 120 2.558 44.802 -2.305 1.00 10.02 H new HETATM 0 HBB2 HEM A 120 3.515 44.454 -0.969 1.00 10.02 H new HETATM 0 HBC1 HEM A 120 1.725 54.629 1.286 1.00 18.19 H new HETATM 0 HBC2 HEM A 120 1.476 52.986 1.532 1.00 18.19 H new HETATM 0 HBA1 HEM A 120 12.799 49.359 2.239 1.00 10.30 H new HETATM 0 HBA2 HEM A 120 13.104 47.958 1.626 1.00 10.30 H new HETATM 0 HAA1 HEM A 120 12.266 46.967 3.644 1.00 11.26 H new HETATM 0 HAA2 HEM A 120 11.832 48.390 4.109 1.00 11.26 H new HETATM 0 HBD1 HEM A 120 10.503 51.171 5.705 1.00 11.05 H new HETATM 0 HBD2 HEM A 120 9.066 51.776 5.689 1.00 11.05 H new HETATM 0 HAD1 HEM A 120 10.348 53.645 4.401 1.00 9.50 H new HETATM 0 HAD2 HEM A 120 11.163 52.391 3.960 1.00 9.50 H new HETATM 0 HHA HEM A 120 10.621 50.107 3.437 1.00 27.93 H new HETATM 0 HHB HEM A 120 8.565 45.412 0.245 1.00 35.69 H new HETATM 0 HHC HEM A 120 3.685 48.627 -1.254 1.00 13.61 H new HETATM 0 HHD HEM A 120 5.748 53.305 1.896 1.00 18.96 H new HETATM 0 HAB HEM A 120 3.902 46.746 -2.786 1.00 35.39 H new HETATM 0 HAC HEM A 120 3.869 54.180 0.266 1.00 20.51 H new HETATM 1774 FE HEM B 120 33.692 59.366 18.660 1.00 19.33 FE HETATM 1775 CHA HEM B 120 31.099 58.823 16.563 1.00 7.01 C HETATM 1776 CHB HEM B 120 35.307 60.932 16.170 1.00 14.13 C HETATM 1777 CHC HEM B 120 36.233 59.985 20.680 1.00 2.52 C HETATM 1778 CHD HEM B 120 32.032 57.881 21.142 1.00 12.97 C HETATM 1779 NA HEM B 120 33.246 59.783 16.769 1.00 7.23 N HETATM 1780 C1A HEM B 120 32.147 59.455 16.021 1.00 18.13 C HETATM 1781 C2A HEM B 120 32.279 59.892 14.626 1.00 22.11 C HETATM 1782 C3A HEM B 120 33.463 60.478 14.504 1.00 17.40 C HETATM 1783 C4A HEM B 120 34.064 60.406 15.829 1.00 25.35 C HETATM 1784 CMA HEM B 120 34.059 61.158 13.280 1.00 6.29 C HETATM 1785 CAA HEM B 120 31.228 59.667 13.547 1.00 13.33 C HETATM 1786 CBA HEM B 120 31.395 58.230 12.995 1.00 38.71 C HETATM 1787 CGA HEM B 120 30.606 57.816 11.727 1.00 14.88 C HETATM 1788 O1A HEM B 120 29.923 58.704 11.305 1.00 24.40 O HETATM 1789 O2A HEM B 120 30.662 56.729 11.208 1.00 35.98 O HETATM 1790 NB HEM B 120 35.392 60.309 18.483 1.00 2.51 N HETATM 1791 C1B HEM B 120 35.948 60.864 17.364 1.00 34.03 C HETATM 1792 C2B HEM B 120 37.267 61.395 17.615 1.00 40.34 C HETATM 1793 C3B HEM B 120 37.491 61.128 18.887 1.00 23.93 C HETATM 1794 C4B HEM B 120 36.340 60.433 19.396 1.00 34.39 C HETATM 1795 CMB HEM B 120 38.131 62.087 16.531 1.00 24.66 C HETATM 1796 CAB HEM B 120 38.695 61.458 19.719 1.00 21.43 C HETATM 1797 CBB HEM B 120 39.259 62.803 20.083 1.00 38.06 C HETATM 1798 NC HEM B 120 34.014 59.014 20.533 1.00 24.91 N HETATM 1799 C1C HEM B 120 35.160 59.362 21.226 1.00 20.23 C HETATM 1800 C2C HEM B 120 35.123 58.905 22.617 1.00 15.43 C HETATM 1801 C3C HEM B 120 33.971 58.304 22.790 1.00 26.68 C HETATM 1802 C4C HEM B 120 33.264 58.377 21.502 1.00 24.44 C HETATM 1803 CMC HEM B 120 36.219 59.111 23.646 1.00 19.98 C HETATM 1804 CAC HEM B 120 33.477 57.639 24.068 1.00 15.40 C HETATM 1805 CBC HEM B 120 32.778 58.272 25.227 1.00 34.97 C HETATM 1806 ND HEM B 120 31.902 58.555 18.783 1.00 1.00 N HETATM 1807 C1D HEM B 120 31.407 57.950 19.915 1.00 18.92 C HETATM 1808 C2D HEM B 120 30.078 57.381 19.617 1.00 11.01 C HETATM 1809 C3D HEM B 120 29.820 57.613 18.321 1.00 5.02 C HETATM 1810 C4D HEM B 120 30.948 58.367 17.843 1.00 28.37 C HETATM 1811 CMD HEM B 120 29.231 56.667 20.629 1.00 22.49 C HETATM 1812 CAD HEM B 120 28.532 57.322 17.585 1.00 24.62 C HETATM 1813 CBD HEM B 120 27.714 58.646 17.766 1.00 9.51 C HETATM 1814 CGD HEM B 120 26.261 58.777 17.423 1.00 41.16 C HETATM 1815 O1D HEM B 120 25.476 57.884 17.217 1.00 28.43 O HETATM 1816 O2D HEM B 120 25.886 59.982 17.382 1.00 26.93 O HETATM 0 HMA1 HEM B 120 33.761 60.701 12.478 1.00 6.29 H new HETATM 0 HMA2 HEM B 120 35.027 61.124 13.330 1.00 6.29 H new HETATM 0 HMA3 HEM B 120 33.770 62.083 13.251 1.00 6.29 H new HETATM 0 HMB1 HEM B 120 38.703 62.750 16.948 1.00 24.66 H new HETATM 0 HMB2 HEM B 120 37.553 62.520 15.884 1.00 24.66 H new HETATM 0 HMB3 HEM B 120 38.679 61.424 16.082 1.00 24.66 H new HETATM 0 HMC1 HEM B 120 35.826 59.169 24.531 1.00 19.98 H new HETATM 0 HMC2 HEM B 120 36.697 59.932 23.450 1.00 19.98 H new HETATM 0 HMC3 HEM B 120 36.836 58.363 23.616 1.00 19.98 H new HETATM 0 HMD1 HEM B 120 28.294 56.794 20.414 1.00 22.49 H new HETATM 0 HMD2 HEM B 120 29.411 57.025 21.512 1.00 22.49 H new HETATM 0 HMD3 HEM B 120 29.440 55.720 20.616 1.00 22.49 H new HETATM 0 HBB1 HEM B 120 40.054 62.862 20.636 1.00 38.06 H new HETATM 0 HBB2 HEM B 120 38.828 63.612 19.765 1.00 38.06 H new HETATM 0 HBC1 HEM B 120 32.513 57.732 25.988 1.00 34.97 H new HETATM 0 HBC2 HEM B 120 32.589 59.223 25.219 1.00 34.97 H new HETATM 0 HBA1 HEM B 120 31.154 57.614 13.704 1.00 38.71 H new HETATM 0 HBA2 HEM B 120 32.338 58.095 12.810 1.00 38.71 H new HETATM 0 HAA1 HEM B 120 31.332 60.317 12.834 1.00 13.33 H new HETATM 0 HAA2 HEM B 120 30.338 59.787 13.913 1.00 13.33 H new HETATM 0 HBD1 HEM B 120 28.178 59.325 17.252 1.00 9.51 H new HETATM 0 HBD2 HEM B 120 27.797 58.892 18.701 1.00 9.51 H new HETATM 0 HAD1 HEM B 120 28.068 56.559 17.962 1.00 24.62 H new HETATM 0 HAD2 HEM B 120 28.691 57.123 16.649 1.00 24.62 H new HETATM 0 HHA HEM B 120 30.379 58.674 15.994 1.00 7.01 H new HETATM 0 HHB HEM B 120 35.755 61.388 15.494 1.00 14.13 H new HETATM 0 HHC HEM B 120 36.967 60.120 21.234 1.00 2.52 H new HETATM 0 HHD HEM B 120 31.560 57.443 21.813 1.00 12.97 H new HETATM 0 HAB HEM B 120 39.178 60.695 20.072 1.00 21.43 H new HETATM 0 HAC HEM B 120 33.636 56.685 24.138 1.00 15.40 H new HETATM 1817 O HOH A 121 25.926 50.525 -13.647 1.00 21.46 O HETATM 1818 O HOH A 122 1.517 34.898 1.090 1.00 17.00 O HETATM 1819 O HOH A 123 5.828 45.055 -12.648 1.00 56.55 O HETATM 1820 O HOH A 124 11.033 54.286 -4.894 1.00 12.57 O HETATM 1821 O HOH A 125 23.367 39.507 2.529 1.00 62.30 O HETATM 1822 O HOH A 126 19.925 47.981 -3.837 1.00 60.79 O HETATM 1823 O HOH A 127 19.674 56.183 3.717 1.00 29.64 O HETATM 1824 O HOH A 128 24.530 46.876 9.307 1.00 26.38 O HETATM 1825 O HOH A 129 22.828 45.738 -3.327 1.00 55.68 O HETATM 1826 O HOH A 130 24.803 63.032 -1.607 1.00 64.80 O HETATM 1827 O HOH A 131 17.989 48.819 2.397 1.00 14.43 O HETATM 1828 O HOH A 132 20.638 50.190 9.144 1.00 23.55 O HETATM 1829 O HOH A 133 1.338 38.915 1.783 1.00 50.57 O HETATM 1830 O HOH A 134 -2.907 49.460 -10.779 1.00 61.00 O HETATM 1831 O HOH A 135 18.394 60.222 -4.013 1.00 32.78 O HETATM 1832 O HOH A 136 9.028 49.584 7.908 1.00 26.83 O HETATM 1833 O HOH A 137 -2.175 36.678 -18.977 1.00 58.50 O HETATM 1834 O HOH A 138 7.707 50.815 -15.981 1.00 54.45 O HETATM 1835 O HOH A 139 13.586 54.782 -6.668 1.00 28.52 O HETATM 1836 O HOH A 140 12.935 57.060 -3.324 1.00 27.77 O HETATM 1837 O HOH A 141 15.006 55.392 -3.476 1.00 16.10 O HETATM 1838 O HOH A 142 22.844 48.151 -14.155 1.00 35.47 O HETATM 1839 O HOH A 143 8.832 60.573 12.802 1.00 60.69 O HETATM 1840 O HOH A 144 10.394 59.528 4.252 1.00 39.98 O HETATM 1841 O HOH A 145 13.270 60.550 2.164 1.00 26.43 O HETATM 1842 O HOH A 146 23.988 45.682 1.979 1.00 41.84 O HETATM 1843 O HOH A 147 17.312 57.082 -2.465 1.00 17.34 O HETATM 1844 O HOH A 148 10.852 51.685 10.887 1.00 25.40 O HETATM 1845 O HOH A 149 1.661 48.861 8.567 1.00 48.64 O HETATM 1846 O HOH A 150 9.750 56.136 6.210 1.00 35.92 O HETATM 1847 O HOH A 151 26.294 52.785 -14.793 1.00 15.58 O HETATM 1848 O HOH A 152 16.639 41.782 -4.814 1.00 24.13 O HETATM 1849 O HOH A 153 17.251 56.992 7.602 1.00 24.60 O HETATM 1850 O HOH A 154 16.730 34.546 -0.064 1.00 72.33 O HETATM 1851 O HOH A 155 15.153 32.635 1.609 1.00 42.41 O HETATM 1852 O HOH A 156 19.974 50.580 -7.929 1.00 29.91 O HETATM 1853 O HOH A 157 9.272 34.065 -1.655 1.00 41.54 O HETATM 1854 O HOH A 158 25.626 44.670 7.735 1.00 38.76 O HETATM 1855 O HOH A 159 9.538 45.326 -16.698 1.00 46.03 O HETATM 1856 O HOH A 160 22.024 56.654 4.971 1.00 32.14 O HETATM 1857 O HOH A 161 30.202 52.014 -5.916 1.00 67.20 O HETATM 1858 O HOH A 162 24.702 55.271 -16.050 1.00 50.16 O HETATM 1859 O HOH A 163 19.555 55.070 6.992 1.00 32.12 O HETATM 1860 O HOH A 164 8.597 31.849 -12.017 1.00 63.26 O HETATM 1861 O HOH A 165 -1.494 47.666 -13.072 1.00 67.26 O HETATM 1862 O HOH A 166 14.594 53.734 -18.289 1.00 56.64 O HETATM 1863 O HOH A 167 19.190 40.867 -4.362 1.00 58.89 O HETATM 1864 O HOH A 168 21.961 43.215 -2.891 1.00 71.50 O HETATM 1865 O HOH B 121 35.538 50.898 17.211 1.00 24.45 O HETATM 1866 O HOH B 122 34.265 52.271 26.140 1.00 34.34 O HETATM 1867 O HOH B 123 42.139 72.909 16.834 1.00 34.83 O HETATM 1868 O HOH B 124 27.027 42.743 8.005 1.00 42.45 O HETATM 1869 O HOH B 125 22.942 58.477 2.364 1.00 20.73 O HETATM 1870 O HOH B 126 23.068 53.146 10.305 1.00 19.45 O HETATM 1871 O HOH B 127 22.383 52.928 12.983 1.00 38.99 O HETATM 1872 O HOH B 128 22.597 57.548 7.518 1.00 33.66 O HETATM 1873 O HOH B 129 37.111 47.736 8.134 1.00 47.76 O HETATM 1874 O HOH B 130 46.506 42.759 13.578 1.00 35.36 O HETATM 1875 O HOH B 131 28.180 70.756 3.528 1.00 72.33 O HETATM 1876 O HOH B 132 39.138 65.913 3.358 1.00 50.98 O HETATM 1877 O HOH B 133 47.173 56.443 18.307 1.00 40.85 O HETATM 1878 O HOH B 134 27.553 62.153 16.844 1.00 18.77 O HETATM 1879 O HOH B 135 34.645 65.363 27.255 1.00 58.32 O HETATM 1880 O HOH B 136 28.559 68.041 22.220 1.00 49.44 O HETATM 1881 O HOH B 137 30.896 71.407 16.920 1.00 44.14 O HETATM 1882 O HOH B 138 39.725 57.481 4.388 1.00 52.59 O HETATM 1883 O HOH B 139 26.522 48.720 18.243 1.00 45.29 O HETATM 1884 O HOH B 140 30.168 55.232 1.995 1.00 39.33 O HETATM 1885 O HOH B 141 24.821 50.488 7.575 1.00 45.04 O HETATM 1886 O HOH B 142 32.681 54.306 1.825 1.00 69.59 O HETATM 1887 O HOH B 143 23.245 52.931 6.264 1.00 35.89 O HETATM 1888 O HOH B 144 21.920 53.826 8.152 1.00 25.22 O HETATM 1889 O HOH B 145 43.045 68.206 8.752 1.00 57.63 O HETATM 1890 O HOH B 146 24.925 51.928 19.664 1.00 52.57 O HETATM 1891 O HOH B 147 29.552 56.471 8.306 1.00 36.05 O HETATM 1892 O HOH B 148 29.534 58.215 23.961 1.00 36.61 O HETATM 1893 O HOH B 149 40.128 57.688 7.354 1.00 35.03 O HETATM 1894 O HOH B 150 25.461 51.218 10.973 1.00 47.59 O HETATM 1895 O HOH B 151 23.292 49.896 9.079 1.00 36.36 O HETATM 1896 O HOH B 152 42.723 54.876 26.348 1.00 75.91 O HETATM 1897 O HOH B 153 40.168 51.242 25.139 1.00 56.25 O HETATM 1898 O HOH B 154 29.394 53.705 4.771 1.00 55.51 O HETATM 1899 O HOH B 155 28.021 61.127 0.659 1.00 89.84 O HETATM 1900 O HOH B 156 25.765 55.772 19.178 1.00 41.71 O HETATM 1901 O HOH B 157 26.091 43.329 15.470 1.00 54.46 O HETATM 1902 O HOH B 158 45.836 46.578 5.047 1.00 58.03 O HETATM 1903 O HOH B 159 36.157 56.528 2.392 1.00 57.72 O HETATM 1904 O HOH B 160 39.194 57.088 0.902 1.00 89.09 O HETATM 1905 O HOH B 161 34.874 52.311 6.510 1.00 45.20 O HETATM 1906 O HOH B 162 25.216 45.488 16.155 1.00 48.61 O HETATM 1907 O HOH B 163 23.387 61.356 16.652 1.00 22.09 O HETATM 1908 O HOH B 164 26.834 71.038 22.893 1.00 85.21 O CONECT 96 1753 CONECT 118 1761 CONECT 128 1731 CONECT 719 1731 CONECT 961 1796 CONECT 993 1774 CONECT 1584 1774 CONECT 1731 128 719 1736 1747 CONECT 1731 1755 1763 CONECT 1732 1737 1767 CONECT 1733 1740 1748 CONECT 1734 1751 1756 CONECT 1735 1759 1764 CONECT 1736 1731 1737 1740 CONECT 1737 1732 1736 1738 CONECT 1738 1737 1739 1742 CONECT 1739 1738 1740 1741 CONECT 1740 1733 1736 1739 CONECT 1741 1739 CONECT 1742 1738 1743 CONECT 1743 1742 1744 CONECT 1744 1743 1745 1746 CONECT 1745 1744 CONECT 1746 1744 CONECT 1747 1731 1748 1751 CONECT 1748 1733 1747 1749 CONECT 1749 1748 1750 1752 CONECT 1750 1749 1751 1753 CONECT 1751 1734 1747 1750 CONECT 1752 1749 CONECT 1753 96 1750 1754 CONECT 1754 1753 CONECT 1755 1731 1756 1759 CONECT 1756 1734 1755 1757 CONECT 1757 1756 1758 1760 CONECT 1758 1757 1759 1761 CONECT 1759 1735 1755 1758 CONECT 1760 1757 CONECT 1761 118 1758 1762 CONECT 1762 1761 CONECT 1763 1731 1764 1767 CONECT 1764 1735 1763 1765 CONECT 1765 1764 1766 1768 CONECT 1766 1765 1767 1769 CONECT 1767 1732 1763 1766 CONECT 1768 1765 CONECT 1769 1766 1770 CONECT 1770 1769 1771 CONECT 1771 1770 1772 1773 CONECT 1772 1771 CONECT 1773 1771 CONECT 1774 993 1584 1779 1790 CONECT 1774 1798 1806 CONECT 1775 1780 1810 CONECT 1776 1783 1791 CONECT 1777 1794 1799 CONECT 1778 1802 1807 CONECT 1779 1774 1780 1783 CONECT 1780 1775 1779 1781 CONECT 1781 1780 1782 1785 CONECT 1782 1781 1783 1784 CONECT 1783 1776 1779 1782 CONECT 1784 1782 CONECT 1785 1781 1786 CONECT 1786 1785 1787 CONECT 1787 1786 1788 1789 CONECT 1788 1787 CONECT 1789 1787 CONECT 1790 1774 1791 1794 CONECT 1791 1776 1790 1792 CONECT 1792 1791 1793 1795 CONECT 1793 1792 1794 1796 CONECT 1794 1777 1790 1793 CONECT 1795 1792 CONECT 1796 961 1793 1797 CONECT 1797 1796 CONECT 1798 1774 1799 1802 CONECT 1799 1777 1798 1800 CONECT 1800 1799 1801 1803 CONECT 1801 1800 1802 1804 CONECT 1802 1778 1798 1801 CONECT 1803 1800 CONECT 1804 1801 1805 CONECT 1805 1804 CONECT 1806 1774 1807 1810 CONECT 1807 1778 1806 1808 CONECT 1808 1807 1809 1811 CONECT 1809 1808 1810 1812 CONECT 1810 1775 1806 1809 CONECT 1811 1808 CONECT 1812 1809 1813 CONECT 1813 1812 1814 CONECT 1814 1813 1815 1816 CONECT 1815 1814 CONECT 1816 1814 END