USER MOD reduce.3.24.130724 H: found=0, std=0, add=1878, rem=0, adj=56 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER ELECTRON TRANSPORT (HEME PROTEIN) 18-MAR-96 1NBB TITLE N-BUTYLISOCYANIDE BOUND RHODOBACTER CAPSULATUS CYTOCHROME C' COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYTOCHROME C'; COMPND 3 CHAIN: A, B; COMPND 4 OTHER_DETAILS: N-BUTYLISOCYANIDE BOUND TO HEME IRON SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER CAPSULATUS; SOURCE 3 ORGANISM_TAXID: 1061; SOURCE 4 STRAIN: M110 KEYWDS ELECTRON TRANSPORT, CYTOCHROME, HEME PROTEIN, ELECTRON KEYWDS 2 TRANSPORT (HEME PROTEIN) EXPDTA X-RAY DIFFRACTION AUTHOR T.H.TAHIROV,S.MISAKI,T.E.MEYER,M.A.CUSANOVICH,Y.HIGUCHI, AUTHOR 2 N.YASUOKA REVDAT 2 24-FEB-09 1NBB 1 VERSN REVDAT 1 17-AUG-96 1NBB 0 JRNL AUTH T.H.TAHIROV,S.MISAKI,T.E.MEYER,M.A.CUSANOVICH, JRNL AUTH 2 Y.HIGUCHI,N.YASUOKA JRNL TITL CONCERTED MOVEMENT OF SIDE CHAINS IN THE HAEM JRNL TITL 2 VICINITY OBSERVED ON LIGAND BINDING IN CYTOCHROME JRNL TITL 3 C' FROM RHODOBACTER CAPSULATUS. JRNL REF NAT.STRUCT.BIOL. V. 3 459 1996 JRNL REFN ISSN 1072-8368 JRNL PMID 8612077 JRNL DOI 10.1038/NSB0596-459 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH T.H.TAHIROV,S.MISAKI,T.E.MEYER,M.A.CUSANOVICH, REMARK 1 AUTH 2 N.YASUOKA REMARK 1 TITL CRYSTAL STRUCTURES OF CYTOCHROME C' FROM REMARK 1 TITL 2 RHODOBACTER CAPSULATUS STRAIN ST. LOUIS REMARK 1 REF TO BE PUBLISHED REMARK 1 REFN REMARK 1 REFERENCE 2 REMARK 1 AUTH T.H.TAHIROV,S.MISAKI,T.E.MEYER,M.A.CUSANOVICH, REMARK 1 AUTH 2 Y.HIGUCHI,N.YASUOKA REMARK 1 TITL HIGH-RESOLUTION CRYSTAL STRUCTURES OF TWO REMARK 1 TITL 2 POLYMORPHS OF CYTOCHROME C' FROM THE PURPLE REMARK 1 TITL 3 PHOTOTROPHIC BACTERIUM RHODOBACTER CAPSULATUS REMARK 1 REF J.MOL.BIOL. V. 259 467 1996 REMARK 1 REFN ISSN 0022-2836 REMARK 2 REMARK 2 RESOLUTION. 2.40 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 2.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.40 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 6.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 89.9 REMARK 3 NUMBER OF REFLECTIONS : 9841 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING SET) : 0.174 REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1845 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 98 REMARK 3 SOLVENT ATOMS : 101 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 29.87 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.012 REMARK 3 BOND ANGLES (DEGREES) : 1.62 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 21.22 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.81 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1NBB 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 : 15-SEP-95 REMARK 200 TEMPERATURE (KELVIN) : 283 REMARK 200 PH : 6.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : DOUBLE MIRROR REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 49034 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.400 REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 92.0 REMARK 200 DATA REDUNDANCY : 4.440 REMARK 200 R MERGE (I) : 0.12900 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 9.2800 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.40 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.49 REMARK 200 COMPLETENESS FOR SHELL (%) : 73.0 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 : 3.100 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: X-PLOR 2.1 REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 53.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.86 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PH 6.5 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z+1/2 REMARK 290 4555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 26.19739 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 35.26750 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 44.76538 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 26.19739 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 35.26750 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 44.76538 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: 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 B 2 -143.36 -68.21 REMARK 500 THR B 3 -61.41 -135.48 REMARK 500 REMARK 500 REMARK: NULL 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 130 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 122 NE2 REMARK 620 2 NBN A 131 C 177.6 REMARK 620 3 NBN A 131 N 169.6 8.2 REMARK 620 N 1 2 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM B 130 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS B 122 NE2 REMARK 620 2 NBN B 131 C 173.2 REMARK 620 3 NBN B 131 N 169.1 4.2 REMARK 620 N 1 2 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 130 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NBN A 131 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM B 130 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NBN B 131 DBREF 1NBB A 1 129 UNP P00147 CYCP_RHOCA 22 150 DBREF 1NBB B 1 129 UNP P00147 CYCP_RHOCA 22 150 SEQADV 1NBB GLU A 90 UNP P00147 ASP 111 CONFLICT SEQADV 1NBB GLU B 90 UNP P00147 ASP 111 CONFLICT SEQRES 1 A 129 ALA ASP THR LYS GLU VAL LEU GLU ALA ARG GLU ALA TYR SEQRES 2 A 129 PHE LYS SER LEU GLY GLY SER MET LYS ALA MET THR GLY SEQRES 3 A 129 VAL ALA LYS ALA PHE ASP ALA GLU ALA ALA LYS VAL GLU SEQRES 4 A 129 ALA ALA LYS LEU GLU LYS ILE LEU ALA THR ASP VAL ALA SEQRES 5 A 129 PRO LEU PHE PRO ALA GLY THR SER SER THR ASP LEU PRO SEQRES 6 A 129 GLY GLN THR GLU ALA LYS ALA ALA ILE TRP ALA ASN MET SEQRES 7 A 129 ASP ASP PHE GLY ALA LYS GLY LYS ALA MET HIS GLU ALA SEQRES 8 A 129 GLY GLY ALA VAL ILE ALA ALA ALA ASN ALA GLY ASP GLY SEQRES 9 A 129 ALA ALA PHE GLY ALA ALA LEU GLN LYS LEU GLY GLY THR SEQRES 10 A 129 CYS LYS ALA CYS HIS ASP ASP TYR ARG GLU GLU ASP SEQRES 1 B 129 ALA ASP THR LYS GLU VAL LEU GLU ALA ARG GLU ALA TYR SEQRES 2 B 129 PHE LYS SER LEU GLY GLY SER MET LYS ALA MET THR GLY SEQRES 3 B 129 VAL ALA LYS ALA PHE ASP ALA GLU ALA ALA LYS VAL GLU SEQRES 4 B 129 ALA ALA LYS LEU GLU LYS ILE LEU ALA THR ASP VAL ALA SEQRES 5 B 129 PRO LEU PHE PRO ALA GLY THR SER SER THR ASP LEU PRO SEQRES 6 B 129 GLY GLN THR GLU ALA LYS ALA ALA ILE TRP ALA ASN MET SEQRES 7 B 129 ASP ASP PHE GLY ALA LYS GLY LYS ALA MET HIS GLU ALA SEQRES 8 B 129 GLY GLY ALA VAL ILE ALA ALA ALA ASN ALA GLY ASP GLY SEQRES 9 B 129 ALA ALA PHE GLY ALA ALA LEU GLN LYS LEU GLY GLY THR SEQRES 10 B 129 CYS LYS ALA CYS HIS ASP ASP TYR ARG GLU GLU ASP HET HEM A 130 43 HET NBN A 131 6 HET HEM B 130 43 HET NBN B 131 6 HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETNAM NBN N-BUTYL ISOCYANIDE HETSYN HEM HEME FORMUL 3 HEM 2(C34 H32 FE N4 O4) FORMUL 4 NBN 2(C5 H9 N) FORMUL 7 HOH *101(H2 O) HELIX 1 1 THR A 3 LYS A 29 1 27 HELIX 2 2 ALA A 33 ILE A 46 1 14 HELIX 3 4 ALA A 73 ALA A 76 5 4 HELIX 4 5 MET A 78 ALA A 101 1 24 HELIX 5 6 GLY A 104 TYR A 125 1 22 HELIX 6 7 THR B 3 LYS B 29 1 27 HELIX 7 8 ALA B 33 ILE B 46 1 14 HELIX 8 10 ALA B 73 ALA B 76 1 4 HELIX 9 11 MET B 78 ALA B 101 1 24 HELIX 10 12 GLY B 104 TYR B 125 1 22 LINK FE HEM A 130 NE2 HIS A 122 1555 1555 1.98 LINK FE HEM A 130 C NBN A 131 1555 1555 1.95 LINK CAB HEM A 130 SG CYS A 118 1555 1555 1.79 LINK CAC HEM A 130 SG CYS A 121 1555 1555 1.79 LINK FE HEM B 130 NE2 HIS B 122 1555 1555 1.95 LINK FE HEM B 130 C NBN B 131 1555 1555 1.90 LINK CAB HEM B 130 SG CYS B 118 1555 1555 1.80 LINK CAC HEM B 130 SG CYS B 121 1555 1555 1.77 LINK FE HEM A 130 N NBN A 131 1555 1555 3.06 LINK FE HEM B 130 N NBN B 131 1555 1555 3.04 SITE *** AC1 13 ARG A 10 PHE A 14 MET A 21 THR A 68 SITE *** AC1 13 GLU A 69 PHE A 81 LYS A 84 GLY A 85 SITE *** AC1 13 CYS A 118 CYS A 121 HIS A 122 ARG A 126 SITE *** AC1 13 NBN A 131 SITE *** AC2 3 PHE A 14 VAL A 51 HEM A 130 SITE *** AC3 19 LYS A 4 ARG B 10 PHE B 14 MET B 21 SITE *** AC3 19 THR B 68 GLU B 69 PHE B 81 LYS B 84 SITE *** AC3 19 GLY B 85 THR B 117 CYS B 118 CYS B 121 SITE *** AC3 19 HIS B 122 TYR B 125 ARG B 126 GLU B 128 SITE *** AC3 19 NBN B 131 HOH B 149 HOH B 172 SITE *** AC4 3 PHE B 14 VAL B 51 HEM B 130 CRYST1 47.734 70.535 89.652 90.00 87.02 90.00 I 1 2 1 8 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 0.020949 0.000000 -0.001091 0.00000 SCALE2 0.000000 0.014177 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011169 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 122 HIS HE2 : A 122 HIS NE2 : A 130 HEMFE :(H bumps) USER MOD NoAdj-H: B 122 HIS HE2 : B 122 HIS NE2 : B 130 HEMFE :(H bumps) USER MOD Set 1.1: B 13 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 88 MET CE :methyl 157:sc= 0 (180deg=-0.692) USER MOD Set 2.1: B 60 SER OG : rot -63:sc= 1.67 USER MOD Set 2.2: B 62 THR OG1 : rot 29:sc= 0.661 USER MOD Set 3.1: B 20 SER OG : rot 10:sc= 1.51 USER MOD Set 3.2: B 24 MET CE :methyl -160:sc= -0.509 (180deg=-0.889) USER MOD Set 4.1: A 88 MET CE :methyl -167:sc= -0.987 (180deg=-1.69!) USER MOD Set 4.2: A 130 HEM CMC :methyl -30:sc= -1.48 (180deg=-3.26!) USER MOD Set 5.1: A 60 SER OG : rot -69:sc= 1.16 USER MOD Set 5.2: A 62 THR OG1 : rot 17:sc= 0.53 USER MOD Set 6.1: A 20 SER OG : rot 7:sc= 1.46 USER MOD Set 6.2: A 24 MET CE :methyl -122:sc= -0.06 (180deg=-0.755) USER MOD Single : A 1 ALA N :NH3+ -137:sc= 0.122 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 161:sc= 0.894 USER MOD Single : A 21 MET CE :methyl -157:sc= -1.29 (180deg=-1.74) USER MOD Single : A 22 LYS NZ :NH3+ -173:sc= -0.0114 (180deg=-0.0386) USER MOD Single : A 25 THR OG1 : rot 80:sc= 1.33 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -130:sc= 0.605 (180deg=-0.00297) USER MOD Single : A 42 LYS NZ :NH3+ 148:sc= 1.6 (180deg=1.15) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 94:sc= 0.283 USER MOD Single : A 59 THR OG1 : rot -72:sc= 1.01 USER MOD Single : A 61 SER OG : rot -74:sc= 0.545 USER MOD Single : A 67 GLN : amide:sc= 0.872 K(o=0.87,f=0.13) USER MOD Single : A 68 THR OG1 : rot 81:sc= 1.48 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl -155:sc= -1.41 (180deg=-2.79) USER MOD Single : A 84 LYS NZ :NH3+ 132:sc= 1.08 (180deg=-0.276) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS A: no HE2:sc= 0.226 K(o=0.26,f=-1.5) USER MOD Single : A 89 HIS B: no HD1:sc= 0.46 K(o=0.46,f=-3.9!) USER MOD Single : A 100 ASN : amide:sc= 0.0205 X(o=0.02,f=-0.0022) USER MOD Single : A 112 GLN : amide:sc= 1.04 K(o=1,f=-2.7) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -40:sc= 1.29 USER MOD Single : A 119 LYS NZ :NH3+ -163:sc= -0.47 (180deg=-0.571) USER MOD Single : A 125 TYR OH : rot 162:sc= 0.948 USER MOD Single : A 130 HEM CMA :methyl 150:sc= -0.928 (180deg=-0.928) USER MOD Single : A 130 HEM CMB :methyl 150:sc= -1.51 (180deg=-1.51) USER MOD Single : A 130 HEM CMD :methyl -30:sc= -0.0301 (180deg=-0.154) USER MOD Single : B 1 ALA N :NH3+ -120:sc= 0.204 (180deg=0) USER MOD Single : B 3 THR OG1 : rot -110:sc= -0.0387 USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ -138:sc= -0.276 (180deg=-1.16) USER MOD Single : B 16 SER OG : rot 92:sc= 0.0301 USER MOD Single : B 21 MET CE :methyl -161:sc= -0.496 (180deg=-1.44!) USER MOD Single : B 22 LYS NZ :NH3+ 136:sc= -0.0515 (180deg=-0.261) USER MOD Single : B 25 THR OG1 : rot 66:sc= 0.204 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 LYS NZ :NH3+ 150:sc= 2.69 (180deg=1.02) USER MOD Single : B 45 LYS NZ :NH3+ 167:sc= 0.0921 (180deg=-0.0526) USER MOD Single : B 49 THR OG1 : rot 92:sc=8.65e-05 USER MOD Single : B 59 THR OG1 : rot -98:sc= 1.22 USER MOD Single : B 61 SER OG : rot -120:sc=-0.000606 USER MOD Single : B 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 68 THR OG1 : rot 98:sc= 1.25 USER MOD Single : B 71 LYS NZ :NH3+ -172:sc= -5.55! (180deg=-6.02!) USER MOD Single : B 77 ASN : amide:sc= 1.19 K(o=1.2,f=-0.18) USER MOD Single : B 78 MET CE :methyl -151:sc= -1.51 (180deg=-2.61!) USER MOD Single : B 84 LYS NZ :NH3+ 174:sc= -0.0895 (180deg=-0.18) USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 89 HIS : no HD1:sc= 0.312 K(o=0.46,f=-3!) USER MOD Single : B 100 ASN : amide:sc= 1.73 K(o=1.7,f=0.45) USER MOD Single : B 112 GLN : amide:sc= -0.677 K(o=-0.68,f=-0.073) USER MOD Single : B 113 LYS NZ :NH3+ -179:sc= 0.142 (180deg=0.141) USER MOD Single : B 117 THR OG1 : rot -43:sc= 0.965 USER MOD Single : B 119 LYS NZ :NH3+ 160:sc= -0.0866 (180deg=-0.676) USER MOD Single : B 125 TYR OH : rot 167:sc= 0.974 USER MOD Single : B 130 HEM CMA :methyl -30:sc= -0.51 (180deg=-0.658) USER MOD Single : B 130 HEM CMB :methyl -30:sc= -3.42! (180deg=-4.56!) USER MOD Single : B 130 HEM CMC :methyl -30:sc= -0.551 (180deg=-3.25!) USER MOD Single : B 130 HEM CMD :methyl -30:sc= -0.0362 (180deg=-0.806) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.649 10.369 36.935 1.00 76.12 N ATOM 2 CA ALA A 1 10.169 10.493 36.807 1.00 75.13 C ATOM 3 C ALA A 1 9.822 10.290 35.332 1.00 74.15 C ATOM 4 O ALA A 1 10.590 9.652 34.606 1.00 74.68 O ATOM 5 CB ALA A 1 9.711 11.869 37.293 1.00 74.79 C ATOM 0 H1 ALA A 1 11.845 9.883 37.654 1.00 76.12 H new ATOM 0 H2 ALA A 1 11.978 9.971 36.210 1.00 76.12 H new ATOM 0 H3 ALA A 1 12.009 11.179 37.017 1.00 76.12 H new ATOM 0 HA ALA A 1 9.717 9.830 37.351 1.00 75.13 H new ATOM 0 HB1 ALA A 1 8.748 11.939 37.205 1.00 74.79 H new ATOM 0 HB2 ALA A 1 9.960 11.983 38.224 1.00 74.79 H new ATOM 0 HB3 ALA A 1 10.135 12.559 36.759 1.00 74.79 H new ATOM 6 N ASP A 2 8.670 10.804 34.899 1.00 71.48 N ATOM 7 CA ASP A 2 8.248 10.681 33.507 1.00 67.09 C ATOM 8 C ASP A 2 9.367 11.156 32.593 1.00 64.82 C ATOM 9 O ASP A 2 9.797 12.310 32.656 1.00 62.53 O ATOM 10 CB ASP A 2 6.968 11.487 33.255 1.00 66.94 C ATOM 11 CG ASP A 2 6.762 11.829 31.782 1.00 66.74 C ATOM 12 OD1 ASP A 2 6.719 10.917 30.922 1.00 66.77 O ATOM 13 OD2 ASP A 2 6.648 13.034 31.488 1.00 65.76 O ATOM 0 H ASP A 2 8.117 11.230 35.401 1.00 71.48 H new ATOM 0 HA ASP A 2 8.056 9.749 33.317 1.00 67.09 H new ATOM 0 HB2 ASP A 2 6.205 10.981 33.575 1.00 66.94 H new ATOM 0 HB3 ASP A 2 7.001 12.308 33.771 1.00 66.94 H new ATOM 14 N THR A 3 9.824 10.244 31.744 1.00 64.70 N ATOM 15 CA THR A 3 10.903 10.508 30.805 1.00 61.84 C ATOM 16 C THR A 3 10.772 11.861 30.109 1.00 59.76 C ATOM 17 O THR A 3 11.737 12.622 30.058 1.00 60.76 O ATOM 18 CB THR A 3 11.019 9.372 29.766 1.00 62.55 C ATOM 19 OG1 THR A 3 9.811 9.289 29.000 1.00 63.07 O ATOM 20 CG2 THR A 3 11.252 8.040 30.470 1.00 61.45 C ATOM 0 H THR A 3 9.511 9.444 31.697 1.00 64.70 H new ATOM 0 HA THR A 3 11.719 10.542 31.329 1.00 61.84 H new ATOM 0 HB THR A 3 11.767 9.563 29.179 1.00 62.55 H new ATOM 0 HG1 THR A 3 9.879 8.671 28.435 1.00 63.07 H new ATOM 0 HG21 THR A 3 11.323 7.333 29.810 1.00 61.45 H new ATOM 0 HG22 THR A 3 12.073 8.085 30.985 1.00 61.45 H new ATOM 0 HG23 THR A 3 10.508 7.853 31.064 1.00 61.45 H new ATOM 21 N LYS A 4 9.569 12.181 29.639 1.00 57.37 N ATOM 22 CA LYS A 4 9.313 13.448 28.952 1.00 56.07 C ATOM 23 C LYS A 4 9.855 14.656 29.731 1.00 53.59 C ATOM 24 O LYS A 4 10.321 15.623 29.131 1.00 55.00 O ATOM 25 CB LYS A 4 7.811 13.610 28.658 1.00 58.31 C ATOM 26 CG LYS A 4 7.414 14.919 27.965 1.00 59.11 C ATOM 27 CD LYS A 4 5.940 14.909 27.507 1.00 61.67 C ATOM 28 CE LYS A 4 5.683 13.912 26.350 1.00 62.47 C ATOM 29 NZ LYS A 4 4.295 13.969 25.761 1.00 57.33 N ATOM 0 H LYS A 4 8.879 11.672 29.708 1.00 57.37 H new ATOM 0 HA LYS A 4 9.794 13.420 28.110 1.00 56.07 H new ATOM 0 HB2 LYS A 4 7.524 12.868 28.103 1.00 58.31 H new ATOM 0 HB3 LYS A 4 7.324 13.544 29.494 1.00 58.31 H new ATOM 0 HG2 LYS A 4 7.558 15.662 28.572 1.00 59.11 H new ATOM 0 HG3 LYS A 4 7.989 15.065 27.198 1.00 59.11 H new ATOM 0 HD2 LYS A 4 5.373 14.679 28.259 1.00 61.67 H new ATOM 0 HD3 LYS A 4 5.687 15.801 27.223 1.00 61.67 H new ATOM 0 HE2 LYS A 4 6.327 14.082 25.645 1.00 62.47 H new ATOM 0 HE3 LYS A 4 5.847 13.012 26.673 1.00 62.47 H new ATOM 0 HZ1 LYS A 4 4.225 13.370 25.106 1.00 57.33 H new ATOM 0 HZ2 LYS A 4 3.696 13.787 26.394 1.00 57.33 H new ATOM 0 HZ3 LYS A 4 4.144 14.783 25.435 1.00 57.33 H new ATOM 30 N GLU A 5 9.812 14.602 31.057 1.00 46.90 N ATOM 31 CA GLU A 5 10.335 15.706 31.826 1.00 43.73 C ATOM 32 C GLU A 5 11.788 15.477 32.184 1.00 41.45 C ATOM 33 O GLU A 5 12.517 16.444 32.321 1.00 41.62 O ATOM 34 CB GLU A 5 9.504 15.994 33.083 1.00 47.27 C ATOM 35 CG GLU A 5 10.052 17.154 33.988 1.00 52.62 C ATOM 36 CD GLU A 5 10.433 18.471 33.241 1.00 53.84 C ATOM 37 OE1 GLU A 5 9.618 19.022 32.459 1.00 51.05 O ATOM 38 OE2 GLU A 5 11.555 18.975 33.476 1.00 52.33 O ATOM 0 H GLU A 5 9.491 13.949 31.516 1.00 46.90 H new ATOM 0 HA GLU A 5 10.275 16.492 31.261 1.00 43.73 H new ATOM 0 HB2 GLU A 5 8.598 16.213 32.813 1.00 47.27 H new ATOM 0 HB3 GLU A 5 9.454 15.184 33.614 1.00 47.27 H new ATOM 0 HG2 GLU A 5 9.383 17.363 34.658 1.00 52.62 H new ATOM 0 HG3 GLU A 5 10.835 16.831 34.461 1.00 52.62 H new ATOM 39 N VAL A 6 12.227 14.224 32.334 1.00 38.27 N ATOM 40 CA VAL A 6 13.642 13.985 32.664 1.00 33.56 C ATOM 41 C VAL A 6 14.452 14.480 31.481 1.00 29.61 C ATOM 42 O VAL A 6 15.479 15.133 31.649 1.00 29.15 O ATOM 43 CB VAL A 6 13.992 12.488 32.982 1.00 34.60 C ATOM 44 CG1 VAL A 6 12.846 11.816 33.714 1.00 37.33 C ATOM 45 CG2 VAL A 6 14.381 11.723 31.751 1.00 26.63 C ATOM 0 H VAL A 6 11.743 13.518 32.253 1.00 38.27 H new ATOM 0 HA VAL A 6 13.851 14.460 33.483 1.00 33.56 H new ATOM 0 HB VAL A 6 14.768 12.487 33.565 1.00 34.60 H new ATOM 0 HG11 VAL A 6 13.079 10.893 33.902 1.00 37.33 H new ATOM 0 HG12 VAL A 6 12.676 12.283 34.547 1.00 37.33 H new ATOM 0 HG13 VAL A 6 12.049 11.842 33.161 1.00 37.33 H new ATOM 0 HG21 VAL A 6 14.588 10.806 31.991 1.00 26.63 H new ATOM 0 HG22 VAL A 6 13.646 11.732 31.118 1.00 26.63 H new ATOM 0 HG23 VAL A 6 15.160 12.135 31.347 1.00 26.63 H new ATOM 46 N LEU A 7 13.948 14.228 30.280 1.00 26.12 N ATOM 47 CA LEU A 7 14.623 14.696 29.088 1.00 27.26 C ATOM 48 C LEU A 7 14.572 16.214 29.116 1.00 26.10 C ATOM 49 O LEU A 7 15.598 16.883 29.007 1.00 28.55 O ATOM 50 CB LEU A 7 13.963 14.129 27.822 1.00 27.15 C ATOM 51 CG LEU A 7 14.672 12.884 27.265 1.00 25.24 C ATOM 52 CD1 LEU A 7 14.768 11.822 28.330 1.00 23.06 C ATOM 53 CD2 LEU A 7 13.950 12.357 26.039 1.00 23.32 C ATOM 0 H LEU A 7 13.221 13.791 30.138 1.00 26.12 H new ATOM 0 HA LEU A 7 15.544 14.392 29.070 1.00 27.26 H new ATOM 0 HB2 LEU A 7 13.040 13.905 28.020 1.00 27.15 H new ATOM 0 HB3 LEU A 7 13.948 14.817 27.138 1.00 27.15 H new ATOM 0 HG LEU A 7 15.570 13.133 26.997 1.00 25.24 H new ATOM 0 HD11 LEU A 7 15.216 11.041 27.969 1.00 23.06 H new ATOM 0 HD12 LEU A 7 15.273 12.164 29.084 1.00 23.06 H new ATOM 0 HD13 LEU A 7 13.877 11.576 28.623 1.00 23.06 H new ATOM 0 HD21 LEU A 7 14.412 11.573 25.703 1.00 23.32 H new ATOM 0 HD22 LEU A 7 13.040 12.119 26.277 1.00 23.32 H new ATOM 0 HD23 LEU A 7 13.936 13.042 25.352 1.00 23.32 H new ATOM 54 N GLU A 8 13.389 16.737 29.404 1.00 27.71 N ATOM 55 CA GLU A 8 13.144 18.177 29.487 1.00 31.38 C ATOM 56 C GLU A 8 14.123 18.850 30.464 1.00 30.92 C ATOM 57 O GLU A 8 14.755 19.856 30.144 1.00 34.95 O ATOM 58 CB GLU A 8 11.691 18.409 29.932 1.00 33.91 C ATOM 59 CG GLU A 8 11.032 19.653 29.364 1.00 42.82 C ATOM 60 CD GLU A 8 9.581 19.411 28.952 1.00 50.07 C ATOM 61 OE1 GLU A 8 9.353 18.952 27.803 1.00 52.50 O ATOM 62 OE2 GLU A 8 8.671 19.679 29.773 1.00 52.40 O ATOM 0 H GLU A 8 12.691 16.260 29.560 1.00 27.71 H new ATOM 0 HA GLU A 8 13.286 18.575 28.614 1.00 31.38 H new ATOM 0 HB2 GLU A 8 11.163 17.636 29.678 1.00 33.91 H new ATOM 0 HB3 GLU A 8 11.669 18.462 30.900 1.00 33.91 H new ATOM 0 HG2 GLU A 8 11.063 20.362 30.025 1.00 42.82 H new ATOM 0 HG3 GLU A 8 11.537 19.960 28.595 1.00 42.82 H new ATOM 63 N ALA A 9 14.287 18.251 31.631 1.00 26.97 N ATOM 64 CA ALA A 9 15.167 18.773 32.638 1.00 25.14 C ATOM 65 C ALA A 9 16.613 18.655 32.212 1.00 28.32 C ATOM 66 O ALA A 9 17.354 19.639 32.290 1.00 32.48 O ATOM 67 CB ALA A 9 14.962 18.043 33.934 1.00 25.17 C ATOM 0 H ALA A 9 13.885 17.525 31.856 1.00 26.97 H new ATOM 0 HA ALA A 9 14.958 19.712 32.760 1.00 25.14 H new ATOM 0 HB1 ALA A 9 15.561 18.403 34.607 1.00 25.17 H new ATOM 0 HB2 ALA A 9 14.044 18.154 34.226 1.00 25.17 H new ATOM 0 HB3 ALA A 9 15.149 17.100 33.807 1.00 25.17 H new ATOM 68 N ARG A 10 17.034 17.483 31.738 1.00 26.28 N ATOM 69 CA ARG A 10 18.433 17.341 31.359 1.00 24.90 C ATOM 70 C ARG A 10 18.864 18.139 30.128 1.00 24.10 C ATOM 71 O ARG A 10 20.041 18.480 29.986 1.00 22.31 O ATOM 72 CB ARG A 10 18.882 15.875 31.337 1.00 25.58 C ATOM 73 CG ARG A 10 18.716 15.107 30.062 1.00 27.71 C ATOM 74 CD ARG A 10 18.990 13.655 30.388 1.00 25.28 C ATOM 75 NE ARG A 10 18.815 12.749 29.260 1.00 22.53 N ATOM 76 CZ ARG A 10 18.483 11.472 29.394 1.00 22.24 C ATOM 77 NH1 ARG A 10 18.226 10.975 30.592 1.00 27.52 N ATOM 78 NH2 ARG A 10 18.364 10.694 28.331 1.00 25.37 N ATOM 0 H ARG A 10 16.545 16.784 31.632 1.00 26.28 H new ATOM 0 HA ARG A 10 18.927 17.772 32.074 1.00 24.90 H new ATOM 0 HB2 ARG A 10 19.821 15.848 31.580 1.00 25.58 H new ATOM 0 HB3 ARG A 10 18.396 15.405 32.032 1.00 25.58 H new ATOM 0 HG2 ARG A 10 17.820 15.217 29.708 1.00 27.71 H new ATOM 0 HG3 ARG A 10 19.330 15.429 29.384 1.00 27.71 H new ATOM 0 HD2 ARG A 10 19.898 13.573 30.718 1.00 25.28 H new ATOM 0 HD3 ARG A 10 18.401 13.378 31.107 1.00 25.28 H new ATOM 0 HE ARG A 10 18.933 13.058 28.466 1.00 22.53 H new ATOM 0 HH11 ARG A 10 18.274 11.480 31.286 1.00 27.52 H new ATOM 0 HH12 ARG A 10 18.011 10.147 30.677 1.00 27.52 H new ATOM 0 HH21 ARG A 10 18.502 11.015 27.545 1.00 25.37 H new ATOM 0 HH22 ARG A 10 18.148 9.867 28.425 1.00 25.37 H new ATOM 79 N GLU A 11 17.905 18.524 29.293 1.00 23.21 N ATOM 80 CA GLU A 11 18.226 19.344 28.135 1.00 23.33 C ATOM 81 C GLU A 11 18.471 20.774 28.628 1.00 22.07 C ATOM 82 O GLU A 11 19.311 21.507 28.094 1.00 24.47 O ATOM 83 CB GLU A 11 17.086 19.328 27.113 1.00 26.73 C ATOM 84 CG GLU A 11 17.266 20.353 25.988 1.00 34.47 C ATOM 85 CD GLU A 11 16.167 20.313 24.933 1.00 42.65 C ATOM 86 OE1 GLU A 11 15.169 19.575 25.102 1.00 43.48 O ATOM 87 OE2 GLU A 11 16.312 21.034 23.919 1.00 48.10 O ATOM 0 H GLU A 11 17.073 18.324 29.378 1.00 23.21 H new ATOM 0 HA GLU A 11 19.015 18.992 27.694 1.00 23.33 H new ATOM 0 HB2 GLU A 11 17.019 18.441 26.726 1.00 26.73 H new ATOM 0 HB3 GLU A 11 16.248 19.502 27.570 1.00 26.73 H new ATOM 0 HG2 GLU A 11 17.298 21.242 26.375 1.00 34.47 H new ATOM 0 HG3 GLU A 11 18.121 20.200 25.557 1.00 34.47 H new ATOM 88 N ALA A 12 17.714 21.177 29.640 1.00 18.66 N ATOM 89 CA ALA A 12 17.847 22.513 30.203 1.00 18.72 C ATOM 90 C ALA A 12 19.178 22.628 30.942 1.00 16.49 C ATOM 91 O ALA A 12 19.823 23.674 30.907 1.00 21.36 O ATOM 92 CB ALA A 12 16.666 22.823 31.159 1.00 19.42 C ATOM 0 H ALA A 12 17.114 20.689 30.017 1.00 18.66 H new ATOM 0 HA ALA A 12 17.828 23.162 29.482 1.00 18.72 H new ATOM 0 HB1 ALA A 12 16.771 23.715 31.524 1.00 19.42 H new ATOM 0 HB2 ALA A 12 15.830 22.771 30.669 1.00 19.42 H new ATOM 0 HB3 ALA A 12 16.657 22.177 31.883 1.00 19.42 H new ATOM 93 N TYR A 13 19.582 21.555 31.606 1.00 12.83 N ATOM 94 CA TYR A 13 20.834 21.528 32.334 1.00 13.61 C ATOM 95 C TYR A 13 22.013 21.716 31.368 1.00 15.65 C ATOM 96 O TYR A 13 22.866 22.576 31.585 1.00 15.47 O ATOM 97 CB TYR A 13 20.960 20.202 33.075 1.00 15.45 C ATOM 98 CG TYR A 13 22.137 20.080 34.018 1.00 20.06 C ATOM 99 CD1 TYR A 13 23.095 21.068 34.109 1.00 23.78 C ATOM 100 CD2 TYR A 13 22.265 18.978 34.845 1.00 22.46 C ATOM 101 CE1 TYR A 13 24.145 20.960 35.000 1.00 28.22 C ATOM 102 CE2 TYR A 13 23.297 18.871 35.736 1.00 25.92 C ATOM 103 CZ TYR A 13 24.237 19.865 35.810 1.00 25.54 C ATOM 104 OH TYR A 13 25.272 19.774 36.708 1.00 30.31 O ATOM 0 H TYR A 13 19.135 20.821 31.646 1.00 12.83 H new ATOM 0 HA TYR A 13 20.848 22.254 32.977 1.00 13.61 H new ATOM 0 HB2 TYR A 13 20.146 20.056 33.581 1.00 15.45 H new ATOM 0 HB3 TYR A 13 21.018 19.489 32.419 1.00 15.45 H new ATOM 0 HD1 TYR A 13 23.033 21.818 33.562 1.00 23.78 H new ATOM 0 HD2 TYR A 13 21.636 18.295 34.794 1.00 22.46 H new ATOM 0 HE1 TYR A 13 24.787 21.631 35.048 1.00 28.22 H new ATOM 0 HE2 TYR A 13 23.360 18.126 36.290 1.00 25.92 H new ATOM 0 HH TYR A 13 25.207 19.056 37.139 1.00 30.31 H new ATOM 105 N PHE A 14 22.031 20.970 30.268 1.00 18.45 N ATOM 106 CA PHE A 14 23.133 21.087 29.323 1.00 19.06 C ATOM 107 C PHE A 14 23.153 22.346 28.469 1.00 20.17 C ATOM 108 O PHE A 14 24.234 22.833 28.116 1.00 22.16 O ATOM 109 CB PHE A 14 23.332 19.801 28.496 1.00 19.57 C ATOM 110 CG PHE A 14 22.246 19.512 27.502 1.00 17.13 C ATOM 111 CD1 PHE A 14 21.979 20.389 26.452 1.00 17.08 C ATOM 112 CD2 PHE A 14 21.573 18.307 27.550 1.00 18.04 C ATOM 113 CE1 PHE A 14 21.075 20.068 25.468 1.00 16.16 C ATOM 114 CE2 PHE A 14 20.658 17.970 26.564 1.00 19.03 C ATOM 115 CZ PHE A 14 20.413 18.855 25.521 1.00 21.13 C ATOM 0 H PHE A 14 21.425 20.399 30.053 1.00 18.45 H new ATOM 0 HA PHE A 14 23.911 21.197 29.891 1.00 19.06 H new ATOM 0 HB2 PHE A 14 24.176 19.864 28.023 1.00 19.57 H new ATOM 0 HB3 PHE A 14 23.403 19.049 29.105 1.00 19.57 H new ATOM 0 HD1 PHE A 14 22.421 21.207 26.417 1.00 17.08 H new ATOM 0 HD2 PHE A 14 21.735 17.716 28.250 1.00 18.04 H new ATOM 0 HE1 PHE A 14 20.910 20.662 24.772 1.00 16.16 H new ATOM 0 HE2 PHE A 14 20.210 17.156 26.601 1.00 19.03 H new ATOM 0 HZ PHE A 14 19.802 18.631 24.857 1.00 21.13 H new ATOM 116 N LYS A 15 21.982 22.879 28.132 1.00 18.68 N ATOM 117 CA LYS A 15 21.922 24.129 27.356 1.00 21.09 C ATOM 118 C LYS A 15 22.469 25.222 28.268 1.00 17.63 C ATOM 119 O LYS A 15 23.117 26.166 27.829 1.00 16.47 O ATOM 120 CB LYS A 15 20.480 24.459 26.966 1.00 23.89 C ATOM 121 CG LYS A 15 19.941 23.673 25.787 1.00 27.05 C ATOM 122 CD LYS A 15 18.493 24.085 25.443 1.00 31.16 C ATOM 123 CE LYS A 15 18.265 25.620 25.396 1.00 29.28 C ATOM 124 NZ LYS A 15 18.975 26.338 24.295 1.00 32.95 N ATOM 0 H LYS A 15 21.217 22.543 28.337 1.00 18.68 H new ATOM 0 HA LYS A 15 22.434 24.050 26.536 1.00 21.09 H new ATOM 0 HB2 LYS A 15 19.907 24.300 27.733 1.00 23.89 H new ATOM 0 HB3 LYS A 15 20.423 25.405 26.760 1.00 23.89 H new ATOM 0 HG2 LYS A 15 20.511 23.815 25.015 1.00 27.05 H new ATOM 0 HG3 LYS A 15 19.969 22.725 25.989 1.00 27.05 H new ATOM 0 HD2 LYS A 15 18.255 23.706 24.583 1.00 31.16 H new ATOM 0 HD3 LYS A 15 17.892 23.698 26.099 1.00 31.16 H new ATOM 0 HE2 LYS A 15 17.313 25.788 25.311 1.00 29.28 H new ATOM 0 HE3 LYS A 15 18.546 26.000 26.243 1.00 29.28 H new ATOM 0 HZ1 LYS A 15 18.791 27.208 24.341 1.00 32.95 H new ATOM 0 HZ2 LYS A 15 19.853 26.216 24.378 1.00 32.95 H new ATOM 0 HZ3 LYS A 15 18.705 26.019 23.509 1.00 32.95 H new ATOM 125 N SER A 16 22.213 25.054 29.558 1.00 19.55 N ATOM 126 CA SER A 16 22.685 25.990 30.563 1.00 20.02 C ATOM 127 C SER A 16 24.200 25.933 30.645 1.00 17.69 C ATOM 128 O SER A 16 24.850 26.977 30.635 1.00 17.68 O ATOM 129 CB SER A 16 22.060 25.680 31.927 1.00 17.22 C ATOM 130 OG SER A 16 21.257 26.765 32.358 1.00 21.41 O ATOM 0 H SER A 16 21.761 24.394 29.874 1.00 19.55 H new ATOM 0 HA SER A 16 22.417 26.886 30.307 1.00 20.02 H new ATOM 0 HB2 SER A 16 21.522 24.875 31.868 1.00 17.22 H new ATOM 0 HB3 SER A 16 22.758 25.508 32.578 1.00 17.22 H new ATOM 0 HG SER A 16 20.723 26.501 32.950 1.00 21.41 H new ATOM 131 N LEU A 17 24.750 24.722 30.767 1.00 14.73 N ATOM 132 CA LEU A 17 26.195 24.533 30.838 1.00 15.75 C ATOM 133 C LEU A 17 26.824 25.052 29.562 1.00 13.58 C ATOM 134 O LEU A 17 27.698 25.910 29.590 1.00 16.26 O ATOM 135 CB LEU A 17 26.562 23.047 31.005 1.00 17.61 C ATOM 136 CG LEU A 17 26.532 22.517 32.433 1.00 19.96 C ATOM 137 CD1 LEU A 17 26.896 21.025 32.467 1.00 19.98 C ATOM 138 CD2 LEU A 17 27.483 23.346 33.304 1.00 19.47 C ATOM 0 H LEU A 17 24.296 23.993 30.810 1.00 14.73 H new ATOM 0 HA LEU A 17 26.527 25.019 31.609 1.00 15.75 H new ATOM 0 HB2 LEU A 17 25.952 22.518 30.468 1.00 17.61 H new ATOM 0 HB3 LEU A 17 27.452 22.908 30.644 1.00 17.61 H new ATOM 0 HG LEU A 17 25.633 22.602 32.789 1.00 19.96 H new ATOM 0 HD11 LEU A 17 26.871 20.707 33.383 1.00 19.98 H new ATOM 0 HD12 LEU A 17 26.259 20.524 31.934 1.00 19.98 H new ATOM 0 HD13 LEU A 17 27.788 20.901 32.106 1.00 19.98 H new ATOM 0 HD21 LEU A 17 27.465 23.010 34.214 1.00 19.47 H new ATOM 0 HD22 LEU A 17 28.385 23.279 32.953 1.00 19.47 H new ATOM 0 HD23 LEU A 17 27.202 24.274 33.297 1.00 19.47 H new ATOM 139 N GLY A 18 26.360 24.534 28.437 1.00 14.11 N ATOM 140 CA GLY A 18 26.888 24.959 27.160 1.00 13.33 C ATOM 141 C GLY A 18 26.985 26.457 27.067 1.00 13.47 C ATOM 142 O GLY A 18 28.016 26.973 26.653 1.00 17.32 O ATOM 0 H GLY A 18 25.742 23.938 28.394 1.00 14.11 H new ATOM 0 HA2 GLY A 18 27.766 24.569 27.027 1.00 13.33 H new ATOM 0 HA3 GLY A 18 26.319 24.627 26.448 1.00 13.33 H new ATOM 143 N GLY A 19 25.929 27.167 27.466 1.00 16.86 N ATOM 144 CA GLY A 19 25.958 28.630 27.397 1.00 15.21 C ATOM 145 C GLY A 19 27.018 29.280 28.268 1.00 12.42 C ATOM 146 O GLY A 19 27.699 30.201 27.850 1.00 15.66 O ATOM 0 H GLY A 19 25.200 26.830 27.774 1.00 16.86 H new ATOM 0 HA2 GLY A 19 26.105 28.896 26.476 1.00 15.21 H new ATOM 0 HA3 GLY A 19 25.088 28.972 27.656 1.00 15.21 H new ATOM 147 N SER A 20 27.162 28.766 29.480 1.00 13.12 N ATOM 148 CA SER A 20 28.115 29.241 30.463 1.00 9.23 C ATOM 149 C SER A 20 29.525 29.040 29.941 1.00 13.99 C ATOM 150 O SER A 20 30.353 29.956 29.973 1.00 17.04 O ATOM 151 CB SER A 20 27.913 28.432 31.727 1.00 6.68 C ATOM 152 OG SER A 20 28.424 29.101 32.847 1.00 13.80 O ATOM 0 H SER A 20 26.688 28.106 29.761 1.00 13.12 H new ATOM 0 HA SER A 20 27.983 30.185 30.641 1.00 9.23 H new ATOM 0 HB2 SER A 20 26.967 28.259 31.855 1.00 6.68 H new ATOM 0 HB3 SER A 20 28.349 27.571 31.635 1.00 6.68 H new ATOM 0 HG SER A 20 28.662 29.876 32.626 1.00 13.80 H new ATOM 153 N MET A 21 29.804 27.843 29.436 1.00 17.10 N ATOM 154 CA MET A 21 31.123 27.548 28.877 1.00 17.86 C ATOM 155 C MET A 21 31.444 28.521 27.767 1.00 17.09 C ATOM 156 O MET A 21 32.530 29.076 27.726 1.00 18.37 O ATOM 157 CB MET A 21 31.192 26.130 28.308 1.00 17.52 C ATOM 158 CG MET A 21 32.010 25.187 29.147 1.00 18.09 C ATOM 159 SD MET A 21 33.725 25.665 29.406 1.00 27.79 S ATOM 160 CE MET A 21 34.545 24.634 28.300 1.00 26.87 C ATOM 0 H MET A 21 29.247 27.188 29.406 1.00 17.10 H new ATOM 0 HA MET A 21 31.765 27.629 29.599 1.00 17.86 H new ATOM 0 HB2 MET A 21 30.292 25.779 28.224 1.00 17.52 H new ATOM 0 HB3 MET A 21 31.568 26.166 27.414 1.00 17.52 H new ATOM 0 HG2 MET A 21 31.582 25.096 30.013 1.00 18.09 H new ATOM 0 HG3 MET A 21 31.995 24.312 28.729 1.00 18.09 H new ATOM 0 HE1 MET A 21 35.466 24.524 28.582 1.00 26.87 H new ATOM 0 HE2 MET A 21 34.108 23.768 28.279 1.00 26.87 H new ATOM 0 HE3 MET A 21 34.524 25.028 27.414 1.00 26.87 H new ATOM 161 N LYS A 22 30.483 28.750 26.880 1.00 18.30 N ATOM 162 CA LYS A 22 30.702 29.651 25.765 1.00 19.89 C ATOM 163 C LYS A 22 31.005 31.056 26.258 1.00 19.13 C ATOM 164 O LYS A 22 31.916 31.726 25.748 1.00 15.58 O ATOM 165 CB LYS A 22 29.499 29.662 24.827 1.00 24.52 C ATOM 166 CG LYS A 22 29.692 30.582 23.637 1.00 33.09 C ATOM 167 CD LYS A 22 28.403 30.796 22.848 1.00 41.84 C ATOM 168 CE LYS A 22 28.639 31.675 21.607 1.00 47.74 C ATOM 169 NZ LYS A 22 29.215 33.029 21.925 1.00 50.32 N ATOM 0 H LYS A 22 29.701 28.394 26.908 1.00 18.30 H new ATOM 0 HA LYS A 22 31.470 29.329 25.268 1.00 19.89 H new ATOM 0 HB2 LYS A 22 29.333 28.760 24.510 1.00 24.52 H new ATOM 0 HB3 LYS A 22 28.711 29.939 25.321 1.00 24.52 H new ATOM 0 HG2 LYS A 22 30.025 31.439 23.945 1.00 33.09 H new ATOM 0 HG3 LYS A 22 30.369 30.209 23.050 1.00 33.09 H new ATOM 0 HD2 LYS A 22 28.044 29.938 22.574 1.00 41.84 H new ATOM 0 HD3 LYS A 22 27.738 31.212 23.419 1.00 41.84 H new ATOM 0 HE2 LYS A 22 29.238 31.211 21.001 1.00 47.74 H new ATOM 0 HE3 LYS A 22 27.798 31.792 21.139 1.00 47.74 H new ATOM 0 HZ1 LYS A 22 29.234 33.525 21.186 1.00 50.32 H new ATOM 0 HZ2 LYS A 22 28.710 33.430 22.538 1.00 50.32 H new ATOM 0 HZ3 LYS A 22 30.042 32.934 22.239 1.00 50.32 H new ATOM 170 N ALA A 23 30.254 31.510 27.255 1.00 17.19 N ATOM 171 CA ALA A 23 30.485 32.855 27.781 1.00 19.30 C ATOM 172 C ALA A 23 31.835 33.011 28.503 1.00 19.11 C ATOM 173 O ALA A 23 32.582 33.955 28.240 1.00 21.78 O ATOM 174 CB ALA A 23 29.345 33.275 28.680 1.00 20.71 C ATOM 0 H ALA A 23 29.620 31.070 27.635 1.00 17.19 H new ATOM 0 HA ALA A 23 30.523 33.445 27.012 1.00 19.30 H new ATOM 0 HB1 ALA A 23 29.513 34.168 29.020 1.00 20.71 H new ATOM 0 HB2 ALA A 23 28.517 33.272 28.175 1.00 20.71 H new ATOM 0 HB3 ALA A 23 29.273 32.655 29.422 1.00 20.71 H new ATOM 175 N MET A 24 32.167 32.064 29.371 1.00 15.86 N ATOM 176 CA MET A 24 33.422 32.121 30.116 1.00 15.94 C ATOM 177 C MET A 24 34.643 32.043 29.240 1.00 14.94 C ATOM 178 O MET A 24 35.697 32.558 29.604 1.00 17.39 O ATOM 179 CB MET A 24 33.470 31.030 31.196 1.00 17.48 C ATOM 180 CG MET A 24 32.421 31.250 32.286 1.00 12.86 C ATOM 181 SD MET A 24 32.542 30.108 33.613 1.00 19.58 S ATOM 182 CE MET A 24 32.044 28.548 32.818 1.00 8.13 C ATOM 0 H MET A 24 31.679 31.377 29.545 1.00 15.86 H new ATOM 0 HA MET A 24 33.440 32.993 30.540 1.00 15.94 H new ATOM 0 HB2 MET A 24 33.329 30.163 30.784 1.00 17.48 H new ATOM 0 HB3 MET A 24 34.353 31.013 31.598 1.00 17.48 H new ATOM 0 HG2 MET A 24 32.511 32.151 32.634 1.00 12.86 H new ATOM 0 HG3 MET A 24 31.537 31.185 31.892 1.00 12.86 H new ATOM 0 HE1 MET A 24 31.279 28.177 33.284 1.00 8.13 H new ATOM 0 HE2 MET A 24 31.807 28.717 31.893 1.00 8.13 H new ATOM 0 HE3 MET A 24 32.780 27.917 32.853 1.00 8.13 H new ATOM 183 N THR A 25 34.502 31.399 28.084 1.00 14.75 N ATOM 184 CA THR A 25 35.590 31.267 27.125 1.00 13.43 C ATOM 185 C THR A 25 35.916 32.621 26.482 1.00 16.94 C ATOM 186 O THR A 25 37.084 32.962 26.272 1.00 22.80 O ATOM 187 CB THR A 25 35.240 30.237 26.036 1.00 10.99 C ATOM 188 OG1 THR A 25 35.148 28.937 26.624 1.00 11.27 O ATOM 189 CG2 THR A 25 36.295 30.204 24.978 1.00 15.85 C ATOM 0 H THR A 25 33.769 31.025 27.835 1.00 14.75 H new ATOM 0 HA THR A 25 36.372 30.955 27.606 1.00 13.43 H new ATOM 0 HB THR A 25 34.394 30.492 25.636 1.00 10.99 H new ATOM 0 HG1 THR A 25 34.399 28.849 26.995 1.00 11.27 H new ATOM 0 HG21 THR A 25 36.056 29.550 24.303 1.00 15.85 H new ATOM 0 HG22 THR A 25 36.369 31.080 24.567 1.00 15.85 H new ATOM 0 HG23 THR A 25 37.145 29.961 25.376 1.00 15.85 H new ATOM 190 N GLY A 26 34.890 33.416 26.217 1.00 16.71 N ATOM 191 CA GLY A 26 35.121 34.709 25.615 1.00 17.42 C ATOM 192 C GLY A 26 35.683 35.660 26.630 1.00 17.49 C ATOM 193 O GLY A 26 36.445 36.556 26.292 1.00 21.57 O ATOM 0 H GLY A 26 34.066 33.227 26.376 1.00 16.71 H new ATOM 0 HA2 GLY A 26 35.735 34.621 24.869 1.00 17.42 H new ATOM 0 HA3 GLY A 26 34.290 35.060 25.258 1.00 17.42 H new ATOM 194 N VAL A 27 35.299 35.453 27.882 1.00 20.14 N ATOM 195 CA VAL A 27 35.758 36.279 29.002 1.00 20.94 C ATOM 196 C VAL A 27 37.218 35.951 29.262 1.00 23.34 C ATOM 197 O VAL A 27 38.016 36.838 29.547 1.00 23.74 O ATOM 198 CB VAL A 27 34.900 36.007 30.286 1.00 20.48 C ATOM 199 CG1 VAL A 27 35.638 36.407 31.561 1.00 22.13 C ATOM 200 CG2 VAL A 27 33.589 36.752 30.191 1.00 18.83 C ATOM 0 H VAL A 27 34.759 34.824 28.113 1.00 20.14 H new ATOM 0 HA VAL A 27 35.659 37.218 28.780 1.00 20.94 H new ATOM 0 HB VAL A 27 34.733 35.053 30.334 1.00 20.48 H new ATOM 0 HG11 VAL A 27 35.077 36.224 32.331 1.00 22.13 H new ATOM 0 HG12 VAL A 27 36.460 35.897 31.633 1.00 22.13 H new ATOM 0 HG13 VAL A 27 35.846 37.354 31.531 1.00 22.13 H new ATOM 0 HG21 VAL A 27 33.061 36.581 30.987 1.00 18.83 H new ATOM 0 HG22 VAL A 27 33.762 37.704 30.116 1.00 18.83 H new ATOM 0 HG23 VAL A 27 33.101 36.450 29.409 1.00 18.83 H new ATOM 201 N ALA A 28 37.561 34.670 29.177 1.00 23.98 N ATOM 202 CA ALA A 28 38.929 34.259 29.385 1.00 25.89 C ATOM 203 C ALA A 28 39.776 34.850 28.258 1.00 29.71 C ATOM 204 O ALA A 28 40.947 35.185 28.467 1.00 34.40 O ATOM 205 CB ALA A 28 39.037 32.750 29.422 1.00 26.77 C ATOM 0 H ALA A 28 37.014 34.030 29.000 1.00 23.98 H new ATOM 0 HA ALA A 28 39.251 34.584 30.240 1.00 25.89 H new ATOM 0 HB1 ALA A 28 39.962 32.495 29.562 1.00 26.77 H new ATOM 0 HB2 ALA A 28 38.493 32.404 30.147 1.00 26.77 H new ATOM 0 HB3 ALA A 28 38.725 32.382 28.580 1.00 26.77 H new ATOM 206 N LYS A 29 39.193 35.016 27.073 1.00 29.28 N ATOM 207 CA LYS A 29 39.946 35.614 25.972 1.00 28.56 C ATOM 208 C LYS A 29 40.261 37.067 26.282 1.00 29.75 C ATOM 209 O LYS A 29 41.341 37.554 25.949 1.00 35.26 O ATOM 210 CB LYS A 29 39.178 35.538 24.662 1.00 26.03 C ATOM 211 CG LYS A 29 39.068 34.142 24.087 1.00 26.31 C ATOM 212 CD LYS A 29 38.430 34.186 22.711 1.00 29.92 C ATOM 213 CE LYS A 29 38.075 32.795 22.204 1.00 33.89 C ATOM 214 NZ LYS A 29 37.296 32.860 20.930 1.00 34.66 N ATOM 0 H LYS A 29 38.383 34.796 26.888 1.00 29.28 H new ATOM 0 HA LYS A 29 40.769 35.110 25.875 1.00 28.56 H new ATOM 0 HB2 LYS A 29 38.285 35.891 24.801 1.00 26.03 H new ATOM 0 HB3 LYS A 29 39.611 36.112 24.011 1.00 26.03 H new ATOM 0 HG2 LYS A 29 39.949 33.739 24.029 1.00 26.31 H new ATOM 0 HG3 LYS A 29 38.539 33.583 24.678 1.00 26.31 H new ATOM 0 HD2 LYS A 29 37.629 34.732 22.744 1.00 29.92 H new ATOM 0 HD3 LYS A 29 39.038 34.612 22.087 1.00 29.92 H new ATOM 0 HE2 LYS A 29 38.887 32.284 22.063 1.00 33.89 H new ATOM 0 HE3 LYS A 29 37.558 32.326 22.877 1.00 33.89 H new ATOM 0 HZ1 LYS A 29 37.103 32.035 20.658 1.00 34.66 H new ATOM 0 HZ2 LYS A 29 36.541 33.312 21.066 1.00 34.66 H new ATOM 0 HZ3 LYS A 29 37.780 33.272 20.307 1.00 34.66 H new ATOM 215 N ALA A 30 39.339 37.744 26.958 1.00 28.37 N ATOM 216 CA ALA A 30 39.514 39.150 27.304 1.00 24.94 C ATOM 217 C ALA A 30 39.110 39.348 28.749 1.00 23.29 C ATOM 218 O ALA A 30 38.128 40.024 29.029 1.00 25.35 O ATOM 219 CB ALA A 30 38.639 40.009 26.396 1.00 22.79 C ATOM 0 H ALA A 30 38.597 37.403 27.228 1.00 28.37 H new ATOM 0 HA ALA A 30 40.441 39.411 27.186 1.00 24.94 H new ATOM 0 HB1 ALA A 30 38.755 40.944 26.625 1.00 22.79 H new ATOM 0 HB2 ALA A 30 38.896 39.869 25.471 1.00 22.79 H new ATOM 0 HB3 ALA A 30 37.709 39.760 26.513 1.00 22.79 H new ATOM 220 N PHE A 31 39.888 38.792 29.665 1.00 23.74 N ATOM 221 CA PHE A 31 39.569 38.865 31.084 1.00 23.83 C ATOM 222 C PHE A 31 39.212 40.222 31.649 1.00 24.11 C ATOM 223 O PHE A 31 39.895 41.227 31.430 1.00 26.48 O ATOM 224 CB PHE A 31 40.660 38.231 31.949 1.00 24.77 C ATOM 225 CG PHE A 31 40.219 37.937 33.358 1.00 23.01 C ATOM 226 CD1 PHE A 31 39.567 36.756 33.661 1.00 19.56 C ATOM 227 CD2 PHE A 31 40.487 38.826 34.389 1.00 26.71 C ATOM 228 CE1 PHE A 31 39.197 36.470 34.968 1.00 20.08 C ATOM 229 CE2 PHE A 31 40.113 38.536 35.708 1.00 21.36 C ATOM 230 CZ PHE A 31 39.474 37.362 35.988 1.00 20.26 C ATOM 0 H PHE A 31 40.612 38.364 29.485 1.00 23.74 H new ATOM 0 HA PHE A 31 38.746 38.354 31.126 1.00 23.83 H new ATOM 0 HB2 PHE A 31 40.954 37.406 31.532 1.00 24.77 H new ATOM 0 HB3 PHE A 31 41.427 38.825 31.976 1.00 24.77 H new ATOM 0 HD1 PHE A 31 39.375 36.148 32.984 1.00 19.56 H new ATOM 0 HD2 PHE A 31 40.922 39.627 34.202 1.00 26.71 H new ATOM 0 HE1 PHE A 31 38.759 35.672 35.159 1.00 20.08 H new ATOM 0 HE2 PHE A 31 40.299 39.140 36.390 1.00 21.36 H new ATOM 0 HZ PHE A 31 39.226 37.163 36.862 1.00 20.26 H new ATOM 231 N ASP A 32 38.150 40.190 32.438 1.00 22.73 N ATOM 232 CA ASP A 32 37.598 41.329 33.124 1.00 20.90 C ATOM 233 C ASP A 32 37.034 40.669 34.360 1.00 22.67 C ATOM 234 O ASP A 32 36.120 39.835 34.254 1.00 22.26 O ATOM 235 CB ASP A 32 36.477 41.920 32.311 1.00 21.49 C ATOM 236 CG ASP A 32 35.801 43.040 33.017 1.00 26.29 C ATOM 237 OD1 ASP A 32 34.858 42.765 33.795 1.00 28.16 O ATOM 238 OD2 ASP A 32 36.216 44.199 32.793 1.00 31.80 O ATOM 0 H ASP A 32 37.714 39.465 32.592 1.00 22.73 H new ATOM 0 HA ASP A 32 38.228 42.046 33.294 1.00 20.90 H new ATOM 0 HB2 ASP A 32 36.827 42.238 31.464 1.00 21.49 H new ATOM 0 HB3 ASP A 32 35.827 41.229 32.108 1.00 21.49 H new ATOM 239 N ALA A 33 37.597 41.010 35.521 1.00 20.38 N ATOM 240 CA ALA A 33 37.182 40.417 36.793 1.00 20.87 C ATOM 241 C ALA A 33 35.672 40.452 37.111 1.00 19.55 C ATOM 242 O ALA A 33 35.133 39.514 37.695 1.00 20.02 O ATOM 243 CB ALA A 33 37.990 41.041 37.955 1.00 14.63 C ATOM 0 H ALA A 33 38.228 41.590 35.593 1.00 20.38 H new ATOM 0 HA ALA A 33 37.378 39.472 36.693 1.00 20.87 H new ATOM 0 HB1 ALA A 33 37.710 40.644 38.794 1.00 14.63 H new ATOM 0 HB2 ALA A 33 38.936 40.874 37.818 1.00 14.63 H new ATOM 0 HB3 ALA A 33 37.832 41.998 37.982 1.00 14.63 H new ATOM 244 N GLU A 34 35.002 41.521 36.702 1.00 17.68 N ATOM 245 CA GLU A 34 33.594 41.709 36.978 1.00 19.89 C ATOM 246 C GLU A 34 32.676 40.786 36.198 1.00 22.00 C ATOM 247 O GLU A 34 31.722 40.233 36.757 1.00 22.16 O ATOM 248 CB GLU A 34 33.237 43.160 36.709 1.00 23.95 C ATOM 249 CG GLU A 34 34.041 44.110 37.541 1.00 27.52 C ATOM 250 CD GLU A 34 33.813 43.867 39.012 1.00 36.92 C ATOM 251 OE1 GLU A 34 32.645 43.951 39.445 1.00 39.63 O ATOM 252 OE2 GLU A 34 34.790 43.582 39.740 1.00 43.41 O ATOM 0 H GLU A 34 35.359 42.161 36.252 1.00 17.68 H new ATOM 0 HA GLU A 34 33.454 41.479 37.910 1.00 19.89 H new ATOM 0 HB2 GLU A 34 33.379 43.357 35.770 1.00 23.95 H new ATOM 0 HB3 GLU A 34 32.293 43.297 36.888 1.00 23.95 H new ATOM 0 HG2 GLU A 34 34.983 44.008 37.335 1.00 27.52 H new ATOM 0 HG3 GLU A 34 33.800 45.023 37.319 1.00 27.52 H new ATOM 253 N ALA A 35 32.955 40.629 34.908 1.00 21.61 N ATOM 254 CA ALA A 35 32.157 39.764 34.049 1.00 20.48 C ATOM 255 C ALA A 35 32.418 38.295 34.388 1.00 22.05 C ATOM 256 O ALA A 35 31.541 37.449 34.189 1.00 22.50 O ATOM 257 CB ALA A 35 32.476 40.041 32.595 1.00 18.40 C ATOM 0 H ALA A 35 33.609 41.019 34.508 1.00 21.61 H new ATOM 0 HA ALA A 35 31.217 39.950 34.200 1.00 20.48 H new ATOM 0 HB1 ALA A 35 31.941 39.462 32.030 1.00 18.40 H new ATOM 0 HB2 ALA A 35 32.274 40.967 32.390 1.00 18.40 H new ATOM 0 HB3 ALA A 35 33.417 39.872 32.432 1.00 18.40 H new ATOM 258 N ALA A 36 33.625 37.995 34.884 1.00 19.73 N ATOM 259 CA ALA A 36 33.993 36.628 35.276 1.00 18.65 C ATOM 260 C ALA A 36 33.179 36.230 36.514 1.00 16.10 C ATOM 261 O ALA A 36 32.711 35.096 36.613 1.00 17.28 O ATOM 262 CB ALA A 36 35.511 36.509 35.548 1.00 14.87 C ATOM 0 H ALA A 36 34.249 38.575 35.002 1.00 19.73 H new ATOM 0 HA ALA A 36 33.789 36.022 34.546 1.00 18.65 H new ATOM 0 HB1 ALA A 36 35.724 35.598 35.804 1.00 14.87 H new ATOM 0 HB2 ALA A 36 36.003 36.742 34.745 1.00 14.87 H new ATOM 0 HB3 ALA A 36 35.760 37.112 36.266 1.00 14.87 H new ATOM 263 N LYS A 37 32.988 37.166 37.440 1.00 13.11 N ATOM 264 CA LYS A 37 32.194 36.908 38.639 1.00 11.50 C ATOM 265 C LYS A 37 30.701 36.761 38.313 1.00 16.36 C ATOM 266 O LYS A 37 30.007 35.922 38.907 1.00 13.89 O ATOM 267 CB LYS A 37 32.413 38.005 39.666 1.00 16.45 C ATOM 268 CG LYS A 37 33.823 38.021 40.228 1.00 21.72 C ATOM 269 CD LYS A 37 34.007 39.084 41.258 1.00 20.75 C ATOM 270 CE LYS A 37 35.022 40.104 40.781 1.00 32.23 C ATOM 271 NZ LYS A 37 34.962 41.350 41.618 1.00 39.41 N ATOM 0 H LYS A 37 33.311 37.961 37.392 1.00 13.11 H new ATOM 0 HA LYS A 37 32.493 36.065 39.014 1.00 11.50 H new ATOM 0 HB2 LYS A 37 32.223 38.865 39.259 1.00 16.45 H new ATOM 0 HB3 LYS A 37 31.782 37.890 40.394 1.00 16.45 H new ATOM 0 HG2 LYS A 37 34.023 37.156 40.619 1.00 21.72 H new ATOM 0 HG3 LYS A 37 34.456 38.160 39.506 1.00 21.72 H new ATOM 0 HD2 LYS A 37 33.159 39.520 41.437 1.00 20.75 H new ATOM 0 HD3 LYS A 37 34.304 38.688 42.092 1.00 20.75 H new ATOM 0 HE2 LYS A 37 35.913 39.724 40.824 1.00 32.23 H new ATOM 0 HE3 LYS A 37 34.852 40.325 39.852 1.00 32.23 H new ATOM 0 HZ1 LYS A 37 34.907 42.062 41.087 1.00 39.41 H new ATOM 0 HZ2 LYS A 37 34.247 41.319 42.146 1.00 39.41 H new ATOM 0 HZ3 LYS A 37 35.697 41.408 42.117 1.00 39.41 H new ATOM 272 N VAL A 38 30.195 37.539 37.351 1.00 15.40 N ATOM 273 CA VAL A 38 28.799 37.385 36.982 1.00 14.29 C ATOM 274 C VAL A 38 28.640 36.009 36.349 1.00 11.06 C ATOM 275 O VAL A 38 27.695 35.299 36.664 1.00 11.75 O ATOM 276 CB VAL A 38 28.295 38.494 36.039 1.00 18.44 C ATOM 277 CG1 VAL A 38 28.698 39.830 36.578 1.00 27.06 C ATOM 278 CG2 VAL A 38 28.814 38.323 34.639 1.00 25.42 C ATOM 0 H VAL A 38 30.631 38.140 36.917 1.00 15.40 H new ATOM 0 HA VAL A 38 28.253 37.465 37.780 1.00 14.29 H new ATOM 0 HB VAL A 38 27.328 38.433 35.997 1.00 18.44 H new ATOM 0 HG11 VAL A 38 28.380 40.528 35.984 1.00 27.06 H new ATOM 0 HG12 VAL A 38 28.310 39.954 37.458 1.00 27.06 H new ATOM 0 HG13 VAL A 38 29.665 39.875 36.642 1.00 27.06 H new ATOM 0 HG21 VAL A 38 28.475 39.038 34.078 1.00 25.42 H new ATOM 0 HG22 VAL A 38 29.784 38.351 34.647 1.00 25.42 H new ATOM 0 HG23 VAL A 38 28.519 37.469 34.286 1.00 25.42 H new ATOM 279 N GLU A 39 29.594 35.607 35.508 1.00 12.22 N ATOM 280 CA GLU A 39 29.551 34.281 34.879 1.00 10.34 C ATOM 281 C GLU A 39 29.719 33.184 35.933 1.00 11.41 C ATOM 282 O GLU A 39 29.077 32.124 35.865 1.00 13.22 O ATOM 283 CB GLU A 39 30.648 34.137 33.834 1.00 10.96 C ATOM 284 CG GLU A 39 30.443 34.937 32.554 1.00 13.87 C ATOM 285 CD GLU A 39 29.097 34.696 31.887 1.00 15.00 C ATOM 286 OE1 GLU A 39 28.615 33.537 31.849 1.00 18.34 O ATOM 287 OE2 GLU A 39 28.525 35.675 31.374 1.00 12.39 O ATOM 0 H GLU A 39 30.274 36.085 35.287 1.00 12.22 H new ATOM 0 HA GLU A 39 28.688 34.189 34.447 1.00 10.34 H new ATOM 0 HB2 GLU A 39 31.491 34.405 34.233 1.00 10.96 H new ATOM 0 HB3 GLU A 39 30.730 33.199 33.601 1.00 10.96 H new ATOM 0 HG2 GLU A 39 30.530 35.882 32.756 1.00 13.87 H new ATOM 0 HG3 GLU A 39 31.149 34.715 31.927 1.00 13.87 H new ATOM 288 N ALA A 40 30.572 33.441 36.915 1.00 8.63 N ATOM 289 CA ALA A 40 30.812 32.489 37.990 1.00 8.29 C ATOM 290 C ALA A 40 29.569 32.368 38.877 1.00 7.13 C ATOM 291 O ALA A 40 29.305 31.299 39.415 1.00 8.15 O ATOM 292 CB ALA A 40 32.031 32.912 38.816 1.00 7.03 C ATOM 0 H ALA A 40 31.026 34.169 36.977 1.00 8.63 H new ATOM 0 HA ALA A 40 30.997 31.619 37.602 1.00 8.29 H new ATOM 0 HB1 ALA A 40 32.179 32.270 39.528 1.00 7.03 H new ATOM 0 HB2 ALA A 40 32.814 32.946 38.244 1.00 7.03 H new ATOM 0 HB3 ALA A 40 31.873 33.789 39.200 1.00 7.03 H new ATOM 293 N ALA A 41 28.771 33.436 38.984 1.00 8.48 N ATOM 294 CA ALA A 41 27.545 33.405 39.800 1.00 4.36 C ATOM 295 C ALA A 41 26.499 32.492 39.149 1.00 6.96 C ATOM 296 O ALA A 41 25.785 31.730 39.819 1.00 5.86 O ATOM 297 CB ALA A 41 26.993 34.793 39.962 1.00 6.39 C ATOM 0 H ALA A 41 28.919 34.188 38.594 1.00 8.48 H new ATOM 0 HA ALA A 41 27.764 33.053 40.677 1.00 4.36 H new ATOM 0 HB1 ALA A 41 26.187 34.760 40.500 1.00 6.39 H new ATOM 0 HB2 ALA A 41 27.651 35.354 40.401 1.00 6.39 H new ATOM 0 HB3 ALA A 41 26.784 35.162 39.090 1.00 6.39 H new ATOM 298 N LYS A 42 26.416 32.581 37.827 1.00 7.77 N ATOM 299 CA LYS A 42 25.507 31.756 37.037 1.00 5.17 C ATOM 300 C LYS A 42 25.946 30.272 37.078 1.00 6.04 C ATOM 301 O LYS A 42 25.147 29.408 37.387 1.00 2.00 O ATOM 302 CB LYS A 42 25.509 32.267 35.598 1.00 2.91 C ATOM 303 CG LYS A 42 24.850 31.336 34.631 1.00 2.97 C ATOM 304 CD LYS A 42 24.778 31.953 33.282 1.00 4.24 C ATOM 305 CE LYS A 42 24.362 30.909 32.287 1.00 7.87 C ATOM 306 NZ LYS A 42 24.283 31.492 30.938 1.00 10.60 N ATOM 0 H LYS A 42 26.889 33.126 37.358 1.00 7.77 H new ATOM 0 HA LYS A 42 24.612 31.814 37.406 1.00 5.17 H new ATOM 0 HB2 LYS A 42 25.058 33.125 35.567 1.00 2.91 H new ATOM 0 HB3 LYS A 42 26.425 32.417 35.317 1.00 2.91 H new ATOM 0 HG2 LYS A 42 25.346 30.504 34.586 1.00 2.97 H new ATOM 0 HG3 LYS A 42 23.957 31.118 34.941 1.00 2.97 H new ATOM 0 HD2 LYS A 42 24.143 32.686 33.283 1.00 4.24 H new ATOM 0 HD3 LYS A 42 25.640 32.324 33.037 1.00 4.24 H new ATOM 0 HE2 LYS A 42 24.998 30.176 32.293 1.00 7.87 H new ATOM 0 HE3 LYS A 42 23.501 30.539 32.537 1.00 7.87 H new ATOM 0 HZ1 LYS A 42 24.498 30.874 30.334 1.00 10.60 H new ATOM 0 HZ2 LYS A 42 23.454 31.779 30.786 1.00 10.60 H new ATOM 0 HZ3 LYS A 42 24.849 32.176 30.876 1.00 10.60 H new ATOM 307 N LEU A 43 27.228 29.993 36.809 1.00 9.05 N ATOM 308 CA LEU A 43 27.741 28.622 36.829 1.00 11.53 C ATOM 309 C LEU A 43 27.523 27.982 38.205 1.00 17.72 C ATOM 310 O LEU A 43 27.214 26.788 38.303 1.00 20.93 O ATOM 311 CB LEU A 43 29.226 28.561 36.452 1.00 8.00 C ATOM 312 CG LEU A 43 29.870 27.169 36.605 1.00 11.81 C ATOM 313 CD1 LEU A 43 29.289 26.160 35.627 1.00 8.97 C ATOM 314 CD2 LEU A 43 31.361 27.242 36.448 1.00 8.43 C ATOM 0 H LEU A 43 27.817 30.588 36.612 1.00 9.05 H new ATOM 0 HA LEU A 43 27.244 28.122 36.163 1.00 11.53 H new ATOM 0 HB2 LEU A 43 29.326 28.851 35.532 1.00 8.00 H new ATOM 0 HB3 LEU A 43 29.714 29.192 37.003 1.00 8.00 H new ATOM 0 HG LEU A 43 29.665 26.864 37.503 1.00 11.81 H new ATOM 0 HD11 LEU A 43 29.719 25.300 35.755 1.00 8.97 H new ATOM 0 HD12 LEU A 43 28.336 26.070 35.782 1.00 8.97 H new ATOM 0 HD13 LEU A 43 29.441 26.465 34.719 1.00 8.97 H new ATOM 0 HD21 LEU A 43 31.741 26.355 36.548 1.00 8.43 H new ATOM 0 HD22 LEU A 43 31.577 27.588 35.568 1.00 8.43 H new ATOM 0 HD23 LEU A 43 31.730 27.830 37.126 1.00 8.43 H new ATOM 315 N GLU A 44 27.707 28.753 39.271 1.00 18.74 N ATOM 316 CA GLU A 44 27.493 28.203 40.602 1.00 17.76 C ATOM 317 C GLU A 44 26.051 27.705 40.769 1.00 17.75 C ATOM 318 O GLU A 44 25.817 26.659 41.368 1.00 15.45 O ATOM 319 CB GLU A 44 27.796 29.235 41.669 1.00 17.56 C ATOM 320 CG GLU A 44 28.136 28.580 42.977 1.00 22.82 C ATOM 321 CD GLU A 44 28.247 29.557 44.097 1.00 27.60 C ATOM 322 OE1 GLU A 44 27.549 30.586 44.056 1.00 33.85 O ATOM 323 OE2 GLU A 44 29.016 29.290 45.034 1.00 32.20 O ATOM 0 H GLU A 44 27.950 29.578 39.247 1.00 18.74 H new ATOM 0 HA GLU A 44 28.099 27.452 40.705 1.00 17.76 H new ATOM 0 HB2 GLU A 44 28.536 29.793 41.382 1.00 17.56 H new ATOM 0 HB3 GLU A 44 27.029 29.818 41.786 1.00 17.56 H new ATOM 0 HG2 GLU A 44 27.456 27.923 43.192 1.00 22.82 H new ATOM 0 HG3 GLU A 44 28.974 28.101 42.886 1.00 22.82 H new ATOM 324 N LYS A 45 25.097 28.459 40.231 1.00 16.67 N ATOM 325 CA LYS A 45 23.675 28.104 40.297 1.00 15.37 C ATOM 326 C LYS A 45 23.436 26.778 39.562 1.00 13.99 C ATOM 327 O LYS A 45 22.825 25.855 40.088 1.00 9.99 O ATOM 328 CB LYS A 45 22.843 29.211 39.627 1.00 15.86 C ATOM 329 CG LYS A 45 21.721 29.772 40.466 1.00 23.43 C ATOM 330 CD LYS A 45 22.265 30.537 41.679 1.00 23.53 C ATOM 331 CE LYS A 45 21.152 30.840 42.681 1.00 21.54 C ATOM 332 NZ LYS A 45 21.633 31.680 43.823 1.00 20.09 N ATOM 0 H LYS A 45 25.254 29.195 39.815 1.00 16.67 H new ATOM 0 HA LYS A 45 23.411 28.010 41.226 1.00 15.37 H new ATOM 0 HB2 LYS A 45 23.437 29.937 39.381 1.00 15.86 H new ATOM 0 HB3 LYS A 45 22.468 28.860 38.804 1.00 15.86 H new ATOM 0 HG2 LYS A 45 21.174 30.364 39.926 1.00 23.43 H new ATOM 0 HG3 LYS A 45 21.146 29.051 40.766 1.00 23.43 H new ATOM 0 HD2 LYS A 45 22.959 30.014 42.110 1.00 23.53 H new ATOM 0 HD3 LYS A 45 22.675 31.366 41.386 1.00 23.53 H new ATOM 0 HE2 LYS A 45 20.427 31.298 42.228 1.00 21.54 H new ATOM 0 HE3 LYS A 45 20.792 30.007 43.023 1.00 21.54 H new ATOM 0 HZ1 LYS A 45 20.959 31.834 44.383 1.00 20.09 H new ATOM 0 HZ2 LYS A 45 22.283 31.252 44.254 1.00 20.09 H new ATOM 0 HZ3 LYS A 45 21.943 32.454 43.512 1.00 20.09 H new ATOM 333 N ILE A 46 23.979 26.683 38.353 1.00 13.89 N ATOM 334 CA ILE A 46 23.842 25.500 37.516 1.00 12.06 C ATOM 335 C ILE A 46 24.350 24.234 38.199 1.00 10.86 C ATOM 336 O ILE A 46 23.675 23.207 38.194 1.00 13.83 O ATOM 337 CB ILE A 46 24.585 25.690 36.177 1.00 7.32 C ATOM 338 CG1 ILE A 46 23.930 26.804 35.376 1.00 8.96 C ATOM 339 CG2 ILE A 46 24.470 24.445 35.318 1.00 10.92 C ATOM 340 CD1 ILE A 46 24.709 27.223 34.167 1.00 10.74 C ATOM 0 H ILE A 46 24.442 27.312 37.993 1.00 13.89 H new ATOM 0 HA ILE A 46 22.892 25.389 37.354 1.00 12.06 H new ATOM 0 HB ILE A 46 25.511 25.888 36.388 1.00 7.32 H new ATOM 0 HG12 ILE A 46 23.048 26.513 35.096 1.00 8.96 H new ATOM 0 HG13 ILE A 46 23.805 27.574 35.952 1.00 8.96 H new ATOM 0 HG21 ILE A 46 24.942 24.584 34.482 1.00 10.92 H new ATOM 0 HG22 ILE A 46 24.859 23.691 35.788 1.00 10.92 H new ATOM 0 HG23 ILE A 46 23.535 24.264 35.134 1.00 10.92 H new ATOM 0 HD11 ILE A 46 24.235 27.933 33.706 1.00 10.74 H new ATOM 0 HD12 ILE A 46 25.583 27.542 34.440 1.00 10.74 H new ATOM 0 HD13 ILE A 46 24.814 26.465 33.571 1.00 10.74 H new ATOM 341 N LEU A 47 25.505 24.322 38.844 1.00 10.32 N ATOM 342 CA LEU A 47 26.106 23.158 39.486 1.00 7.74 C ATOM 343 C LEU A 47 25.370 22.659 40.712 1.00 9.88 C ATOM 344 O LEU A 47 25.698 21.577 41.227 1.00 13.43 O ATOM 345 CB LEU A 47 27.566 23.410 39.811 1.00 2.00 C ATOM 346 CG LEU A 47 28.491 23.802 38.660 1.00 4.89 C ATOM 347 CD1 LEU A 47 29.880 23.977 39.249 1.00 2.00 C ATOM 348 CD2 LEU A 47 28.512 22.782 37.541 1.00 2.00 C ATOM 0 H LEU A 47 25.959 25.048 38.923 1.00 10.32 H new ATOM 0 HA LEU A 47 26.034 22.446 38.831 1.00 7.74 H new ATOM 0 HB2 LEU A 47 27.606 24.112 40.479 1.00 2.00 H new ATOM 0 HB3 LEU A 47 27.924 22.607 40.221 1.00 2.00 H new ATOM 0 HG LEU A 47 28.166 24.622 38.255 1.00 4.89 H new ATOM 0 HD11 LEU A 47 30.500 24.227 38.547 1.00 2.00 H new ATOM 0 HD12 LEU A 47 29.860 24.672 39.925 1.00 2.00 H new ATOM 0 HD13 LEU A 47 30.168 23.143 39.652 1.00 2.00 H new ATOM 0 HD21 LEU A 47 29.113 23.082 36.841 1.00 2.00 H new ATOM 0 HD22 LEU A 47 28.818 21.929 37.886 1.00 2.00 H new ATOM 0 HD23 LEU A 47 27.618 22.681 37.178 1.00 2.00 H new ATOM 349 N ALA A 48 24.389 23.430 41.184 1.00 9.05 N ATOM 350 CA ALA A 48 23.598 23.028 42.337 1.00 7.50 C ATOM 351 C ALA A 48 22.621 21.931 41.959 1.00 15.32 C ATOM 352 O ALA A 48 21.979 21.330 42.825 1.00 21.70 O ATOM 353 CB ALA A 48 22.854 24.187 42.880 1.00 10.13 C ATOM 0 H ALA A 48 24.169 24.190 40.847 1.00 9.05 H new ATOM 0 HA ALA A 48 24.204 22.690 43.015 1.00 7.50 H new ATOM 0 HB1 ALA A 48 22.331 23.906 43.647 1.00 10.13 H new ATOM 0 HB2 ALA A 48 23.481 24.876 43.151 1.00 10.13 H new ATOM 0 HB3 ALA A 48 22.262 24.540 42.198 1.00 10.13 H new ATOM 354 N THR A 49 22.509 21.680 40.659 1.00 19.74 N ATOM 355 CA THR A 49 21.621 20.677 40.112 1.00 21.23 C ATOM 356 C THR A 49 22.112 19.255 40.248 1.00 22.95 C ATOM 357 O THR A 49 23.222 18.929 39.854 1.00 21.30 O ATOM 358 CB THR A 49 21.368 20.962 38.643 1.00 22.85 C ATOM 359 OG1 THR A 49 20.687 22.210 38.539 1.00 27.29 O ATOM 360 CG2 THR A 49 20.521 19.863 38.004 1.00 24.60 C ATOM 0 H THR A 49 22.961 22.101 40.061 1.00 19.74 H new ATOM 0 HA THR A 49 20.809 20.741 40.638 1.00 21.23 H new ATOM 0 HB THR A 49 22.217 20.993 38.175 1.00 22.85 H new ATOM 0 HG1 THR A 49 21.246 22.826 38.423 1.00 27.29 H new ATOM 0 HG21 THR A 49 20.375 20.070 37.068 1.00 24.60 H new ATOM 0 HG22 THR A 49 20.983 19.013 38.079 1.00 24.60 H new ATOM 0 HG23 THR A 49 19.666 19.807 38.459 1.00 24.60 H new ATOM 361 N ASP A 50 21.238 18.388 40.741 1.00 32.94 N ATOM 362 CA ASP A 50 21.581 16.979 40.909 1.00 39.19 C ATOM 363 C ASP A 50 21.313 16.266 39.594 1.00 41.77 C ATOM 364 O ASP A 50 20.167 16.187 39.152 1.00 43.23 O ATOM 365 CB ASP A 50 20.725 16.358 42.015 1.00 39.72 C ATOM 366 CG ASP A 50 21.315 15.077 42.565 1.00 43.01 C ATOM 367 OD1 ASP A 50 22.549 14.887 42.465 1.00 45.04 O ATOM 368 OD2 ASP A 50 20.541 14.266 43.120 1.00 45.46 O ATOM 0 H ASP A 50 20.439 18.594 40.985 1.00 32.94 H new ATOM 0 HA ASP A 50 22.515 16.892 41.157 1.00 39.19 H new ATOM 0 HB2 ASP A 50 20.623 16.998 42.737 1.00 39.72 H new ATOM 0 HB3 ASP A 50 19.837 16.177 41.668 1.00 39.72 H new ATOM 369 N VAL A 51 22.362 15.778 38.950 1.00 42.94 N ATOM 370 CA VAL A 51 22.174 15.075 37.685 1.00 49.61 C ATOM 371 C VAL A 51 21.774 13.616 37.903 1.00 49.92 C ATOM 372 O VAL A 51 21.408 12.918 36.954 1.00 50.10 O ATOM 373 CB VAL A 51 23.446 15.069 36.806 1.00 53.31 C ATOM 374 CG1 VAL A 51 23.063 15.258 35.346 1.00 55.36 C ATOM 375 CG2 VAL A 51 24.435 16.123 37.258 1.00 57.59 C ATOM 0 H VAL A 51 23.177 15.839 39.219 1.00 42.94 H new ATOM 0 HA VAL A 51 21.468 15.563 37.234 1.00 49.61 H new ATOM 0 HB VAL A 51 23.885 14.210 36.903 1.00 53.31 H new ATOM 0 HG11 VAL A 51 23.863 15.254 34.798 1.00 55.36 H new ATOM 0 HG12 VAL A 51 22.478 14.536 35.069 1.00 55.36 H new ATOM 0 HG13 VAL A 51 22.603 16.105 35.239 1.00 55.36 H new ATOM 0 HG21 VAL A 51 25.220 16.095 36.689 1.00 57.59 H new ATOM 0 HG22 VAL A 51 24.024 17.000 37.198 1.00 57.59 H new ATOM 0 HG23 VAL A 51 24.695 15.950 38.176 1.00 57.59 H new ATOM 376 N ALA A 52 21.857 13.157 39.149 1.00 49.10 N ATOM 377 CA ALA A 52 21.528 11.778 39.478 1.00 49.93 C ATOM 378 C ALA A 52 20.161 11.352 38.942 1.00 49.12 C ATOM 379 O ALA A 52 20.074 10.475 38.080 1.00 49.85 O ATOM 380 CB ALA A 52 21.617 11.551 40.984 1.00 52.85 C ATOM 0 H ALA A 52 22.104 13.634 39.821 1.00 49.10 H new ATOM 0 HA ALA A 52 22.185 11.218 39.036 1.00 49.93 H new ATOM 0 HB1 ALA A 52 21.395 10.629 41.186 1.00 52.85 H new ATOM 0 HB2 ALA A 52 22.519 11.740 41.287 1.00 52.85 H new ATOM 0 HB3 ALA A 52 20.994 12.140 41.438 1.00 52.85 H new ATOM 381 N PRO A 53 19.077 11.994 39.401 1.00 46.73 N ATOM 382 CA PRO A 53 17.775 11.579 38.880 1.00 45.04 C ATOM 383 C PRO A 53 17.537 11.958 37.413 1.00 43.94 C ATOM 384 O PRO A 53 16.420 11.787 36.911 1.00 45.73 O ATOM 385 CB PRO A 53 16.804 12.304 39.810 1.00 43.62 C ATOM 386 CG PRO A 53 17.529 13.563 40.122 1.00 40.97 C ATOM 387 CD PRO A 53 18.914 13.057 40.410 1.00 44.97 C ATOM 0 HA PRO A 53 17.680 10.614 38.872 1.00 45.04 H new ATOM 0 HB2 PRO A 53 15.952 12.476 39.379 1.00 43.62 H new ATOM 0 HB3 PRO A 53 16.618 11.788 40.610 1.00 43.62 H new ATOM 0 HG2 PRO A 53 17.516 14.184 39.377 1.00 40.97 H new ATOM 0 HG3 PRO A 53 17.145 14.025 40.883 1.00 40.97 H new ATOM 0 HD2 PRO A 53 19.581 13.754 40.312 1.00 44.97 H new ATOM 0 HD3 PRO A 53 18.993 12.713 41.314 1.00 44.97 H new ATOM 388 N LEU A 54 18.573 12.458 36.732 1.00 40.96 N ATOM 389 CA LEU A 54 18.459 12.870 35.325 1.00 36.37 C ATOM 390 C LEU A 54 18.719 11.774 34.312 1.00 33.21 C ATOM 391 O LEU A 54 18.426 11.944 33.132 1.00 30.77 O ATOM 392 CB LEU A 54 19.402 14.034 35.017 1.00 36.74 C ATOM 393 CG LEU A 54 18.890 15.434 35.327 1.00 39.50 C ATOM 394 CD1 LEU A 54 19.939 16.469 34.959 1.00 38.99 C ATOM 395 CD2 LEU A 54 17.627 15.668 34.536 1.00 41.93 C ATOM 0 H LEU A 54 19.357 12.568 37.069 1.00 40.96 H new ATOM 0 HA LEU A 54 17.529 13.130 35.232 1.00 36.37 H new ATOM 0 HB2 LEU A 54 20.224 13.896 35.513 1.00 36.74 H new ATOM 0 HB3 LEU A 54 19.630 13.997 34.075 1.00 36.74 H new ATOM 0 HG LEU A 54 18.705 15.515 36.276 1.00 39.50 H new ATOM 0 HD11 LEU A 54 19.603 17.356 35.160 1.00 38.99 H new ATOM 0 HD12 LEU A 54 20.747 16.306 35.470 1.00 38.99 H new ATOM 0 HD13 LEU A 54 20.137 16.406 34.012 1.00 38.99 H new ATOM 0 HD21 LEU A 54 17.288 16.557 34.723 1.00 41.93 H new ATOM 0 HD22 LEU A 54 17.819 15.588 33.589 1.00 41.93 H new ATOM 0 HD23 LEU A 54 16.961 15.009 34.787 1.00 41.93 H new ATOM 396 N PHE A 55 19.299 10.666 34.756 1.00 30.21 N ATOM 397 CA PHE A 55 19.610 9.573 33.841 1.00 30.30 C ATOM 398 C PHE A 55 18.995 8.241 34.295 1.00 32.63 C ATOM 399 O PHE A 55 19.705 7.253 34.520 1.00 29.93 O ATOM 400 CB PHE A 55 21.141 9.450 33.638 1.00 26.49 C ATOM 401 CG PHE A 55 21.761 10.637 32.933 1.00 21.27 C ATOM 402 CD1 PHE A 55 22.150 11.760 33.639 1.00 20.69 C ATOM 403 CD2 PHE A 55 21.863 10.667 31.560 1.00 18.48 C ATOM 404 CE1 PHE A 55 22.618 12.903 32.984 1.00 16.99 C ATOM 405 CE2 PHE A 55 22.330 11.804 30.905 1.00 22.06 C ATOM 406 CZ PHE A 55 22.706 12.926 31.628 1.00 14.62 C ATOM 0 H PHE A 55 19.519 10.526 35.575 1.00 30.21 H new ATOM 0 HA PHE A 55 19.205 9.786 32.986 1.00 30.30 H new ATOM 0 HB2 PHE A 55 21.566 9.340 34.503 1.00 26.49 H new ATOM 0 HB3 PHE A 55 21.328 8.647 33.127 1.00 26.49 H new ATOM 0 HD1 PHE A 55 22.099 11.755 34.568 1.00 20.69 H new ATOM 0 HD2 PHE A 55 21.617 9.919 31.064 1.00 18.48 H new ATOM 0 HE1 PHE A 55 22.870 13.650 33.478 1.00 16.99 H new ATOM 0 HE2 PHE A 55 22.390 11.811 29.977 1.00 22.06 H new ATOM 0 HZ PHE A 55 23.015 13.686 31.190 1.00 14.62 H new ATOM 407 N PRO A 56 17.666 8.209 34.485 1.00 32.12 N ATOM 408 CA PRO A 56 17.058 6.947 34.908 1.00 34.60 C ATOM 409 C PRO A 56 17.172 5.979 33.740 1.00 33.93 C ATOM 410 O PRO A 56 17.202 6.400 32.575 1.00 29.75 O ATOM 411 CB PRO A 56 15.605 7.340 35.178 1.00 35.77 C ATOM 412 CG PRO A 56 15.367 8.418 34.156 1.00 36.77 C ATOM 413 CD PRO A 56 16.638 9.237 34.253 1.00 34.05 C ATOM 0 HA PRO A 56 17.462 6.523 35.681 1.00 34.60 H new ATOM 0 HB2 PRO A 56 15.000 6.591 35.061 1.00 35.77 H new ATOM 0 HB3 PRO A 56 15.481 7.666 36.083 1.00 35.77 H new ATOM 0 HG2 PRO A 56 15.239 8.052 33.267 1.00 36.77 H new ATOM 0 HG3 PRO A 56 14.579 8.945 34.362 1.00 36.77 H new ATOM 0 HD2 PRO A 56 16.807 9.739 33.440 1.00 34.05 H new ATOM 0 HD3 PRO A 56 16.599 9.879 34.979 1.00 34.05 H new ATOM 414 N ALA A 57 17.271 4.692 34.059 1.00 34.25 N ATOM 415 CA ALA A 57 17.408 3.663 33.039 1.00 33.54 C ATOM 416 C ALA A 57 16.268 3.718 32.055 1.00 33.18 C ATOM 417 O ALA A 57 15.120 3.956 32.431 1.00 34.81 O ATOM 418 CB ALA A 57 17.481 2.293 33.678 1.00 34.60 C ATOM 0 H ALA A 57 17.261 4.394 34.866 1.00 34.25 H new ATOM 0 HA ALA A 57 18.233 3.829 32.556 1.00 33.54 H new ATOM 0 HB1 ALA A 57 17.572 1.618 32.987 1.00 34.60 H new ATOM 0 HB2 ALA A 57 18.247 2.253 34.272 1.00 34.60 H new ATOM 0 HB3 ALA A 57 16.671 2.129 34.185 1.00 34.60 H new ATOM 419 N GLY A 58 16.601 3.577 30.783 1.00 32.73 N ATOM 420 CA GLY A 58 15.577 3.581 29.756 1.00 33.89 C ATOM 421 C GLY A 58 15.377 4.899 29.046 1.00 33.37 C ATOM 422 O GLY A 58 14.309 5.122 28.472 1.00 34.44 O ATOM 0 H GLY A 58 17.406 3.479 30.496 1.00 32.73 H new ATOM 0 HA2 GLY A 58 15.800 2.906 29.096 1.00 33.89 H new ATOM 0 HA3 GLY A 58 14.735 3.317 30.159 1.00 33.89 H new ATOM 423 N THR A 59 16.405 5.747 29.053 1.00 30.63 N ATOM 424 CA THR A 59 16.348 7.051 28.401 1.00 28.52 C ATOM 425 C THR A 59 17.513 7.284 27.451 1.00 28.01 C ATOM 426 O THR A 59 17.913 8.426 27.220 1.00 30.39 O ATOM 427 CB THR A 59 16.314 8.211 29.424 1.00 29.74 C ATOM 428 OG1 THR A 59 17.100 7.869 30.576 1.00 32.25 O ATOM 429 CG2 THR A 59 14.883 8.525 29.838 1.00 29.97 C ATOM 0 H THR A 59 17.156 5.580 29.437 1.00 30.63 H new ATOM 0 HA THR A 59 15.523 7.041 27.891 1.00 28.52 H new ATOM 0 HB THR A 59 16.689 9.002 29.006 1.00 29.74 H new ATOM 0 HG1 THR A 59 16.698 7.285 31.026 1.00 32.25 H new ATOM 0 HG21 THR A 59 14.884 9.254 30.478 1.00 29.97 H new ATOM 0 HG22 THR A 59 14.369 8.782 29.057 1.00 29.97 H new ATOM 0 HG23 THR A 59 14.483 7.739 30.243 1.00 29.97 H new ATOM 430 N SER A 60 18.061 6.210 26.897 1.00 24.34 N ATOM 431 CA SER A 60 19.169 6.342 25.965 1.00 20.79 C ATOM 432 C SER A 60 18.667 6.628 24.558 1.00 19.73 C ATOM 433 O SER A 60 17.487 6.477 24.263 1.00 19.62 O ATOM 434 CB SER A 60 19.974 5.056 25.925 1.00 23.88 C ATOM 435 OG SER A 60 19.180 4.001 25.408 1.00 28.54 O ATOM 0 H SER A 60 17.808 5.402 27.047 1.00 24.34 H new ATOM 0 HA SER A 60 19.721 7.079 26.270 1.00 20.79 H new ATOM 0 HB2 SER A 60 20.763 5.177 25.374 1.00 23.88 H new ATOM 0 HB3 SER A 60 20.283 4.831 26.817 1.00 23.88 H new ATOM 0 HG SER A 60 18.580 3.804 25.962 1.00 28.54 H new ATOM 436 N SER A 61 19.585 6.969 23.672 1.00 19.82 N ATOM 437 CA SER A 61 19.245 7.230 22.287 1.00 21.95 C ATOM 438 C SER A 61 18.647 5.971 21.644 1.00 22.01 C ATOM 439 O SER A 61 18.011 6.043 20.603 1.00 22.40 O ATOM 440 CB SER A 61 20.508 7.652 21.518 1.00 25.67 C ATOM 441 OG SER A 61 21.626 6.784 21.780 1.00 18.70 O ATOM 0 H SER A 61 20.421 7.056 23.855 1.00 19.82 H new ATOM 0 HA SER A 61 18.589 7.944 22.251 1.00 21.95 H new ATOM 0 HB2 SER A 61 20.319 7.653 20.567 1.00 25.67 H new ATOM 0 HB3 SER A 61 20.743 8.561 21.762 1.00 25.67 H new ATOM 0 HG SER A 61 21.930 6.942 22.547 1.00 18.70 H new ATOM 442 N THR A 62 18.893 4.807 22.229 1.00 21.70 N ATOM 443 CA THR A 62 18.346 3.594 21.655 1.00 25.38 C ATOM 444 C THR A 62 16.930 3.328 22.146 1.00 26.01 C ATOM 445 O THR A 62 16.155 2.651 21.473 1.00 25.74 O ATOM 446 CB THR A 62 19.283 2.385 21.847 1.00 26.81 C ATOM 447 OG1 THR A 62 19.799 2.379 23.176 1.00 34.15 O ATOM 448 CG2 THR A 62 20.454 2.477 20.880 1.00 29.21 C ATOM 0 H THR A 62 19.363 4.701 22.941 1.00 21.70 H new ATOM 0 HA THR A 62 18.284 3.733 20.697 1.00 25.38 H new ATOM 0 HB THR A 62 18.778 1.574 21.681 1.00 26.81 H new ATOM 0 HG1 THR A 62 19.334 2.884 23.660 1.00 34.15 H new ATOM 0 HG21 THR A 62 21.039 1.714 21.006 1.00 29.21 H new ATOM 0 HG22 THR A 62 20.122 2.482 19.969 1.00 29.21 H new ATOM 0 HG23 THR A 62 20.949 3.294 21.048 1.00 29.21 H new ATOM 449 N ASP A 63 16.585 3.905 23.294 1.00 28.80 N ATOM 450 CA ASP A 63 15.247 3.785 23.865 1.00 28.74 C ATOM 451 C ASP A 63 14.343 4.882 23.301 1.00 31.13 C ATOM 452 O ASP A 63 13.188 4.638 22.937 1.00 35.44 O ATOM 453 CB ASP A 63 15.306 3.922 25.376 1.00 31.82 C ATOM 454 CG ASP A 63 16.061 2.795 26.026 1.00 36.72 C ATOM 455 OD1 ASP A 63 15.765 1.625 25.706 1.00 38.26 O ATOM 456 OD2 ASP A 63 16.954 3.078 26.855 1.00 38.22 O ATOM 0 H ASP A 63 17.124 4.380 23.766 1.00 28.80 H new ATOM 0 HA ASP A 63 14.890 2.913 23.635 1.00 28.74 H new ATOM 0 HB2 ASP A 63 15.728 4.765 25.605 1.00 31.82 H new ATOM 0 HB3 ASP A 63 14.404 3.950 25.731 1.00 31.82 H new ATOM 457 N LEU A 64 14.893 6.086 23.193 1.00 30.20 N ATOM 458 CA LEU A 64 14.169 7.245 22.678 1.00 28.00 C ATOM 459 C LEU A 64 14.874 7.807 21.439 1.00 23.98 C ATOM 460 O LEU A 64 15.216 8.989 21.402 1.00 25.21 O ATOM 461 CB LEU A 64 14.132 8.318 23.767 1.00 30.89 C ATOM 462 CG LEU A 64 13.484 7.904 25.088 1.00 34.66 C ATOM 463 CD1 LEU A 64 13.863 8.864 26.202 1.00 37.05 C ATOM 464 CD2 LEU A 64 11.978 7.871 24.897 1.00 39.52 C ATOM 0 H LEU A 64 15.705 6.256 23.419 1.00 30.20 H new ATOM 0 HA LEU A 64 13.269 6.980 22.431 1.00 28.00 H new ATOM 0 HB2 LEU A 64 15.041 8.603 23.948 1.00 30.89 H new ATOM 0 HB3 LEU A 64 13.657 9.090 23.421 1.00 30.89 H new ATOM 0 HG LEU A 64 13.802 7.024 25.344 1.00 34.66 H new ATOM 0 HD11 LEU A 64 13.442 8.583 27.029 1.00 37.05 H new ATOM 0 HD12 LEU A 64 14.826 8.865 26.315 1.00 37.05 H new ATOM 0 HD13 LEU A 64 13.563 9.758 25.975 1.00 37.05 H new ATOM 0 HD21 LEU A 64 11.552 7.609 25.728 1.00 39.52 H new ATOM 0 HD22 LEU A 64 11.665 8.752 24.637 1.00 39.52 H new ATOM 0 HD23 LEU A 64 11.754 7.231 24.204 1.00 39.52 H new ATOM 465 N PRO A 65 15.018 6.998 20.375 1.00 22.12 N ATOM 466 CA PRO A 65 15.697 7.460 19.155 1.00 21.54 C ATOM 467 C PRO A 65 15.355 8.867 18.678 1.00 24.27 C ATOM 468 O PRO A 65 14.181 9.207 18.495 1.00 24.93 O ATOM 469 CB PRO A 65 15.339 6.386 18.131 1.00 19.57 C ATOM 470 CG PRO A 65 14.108 5.728 18.711 1.00 17.22 C ATOM 471 CD PRO A 65 14.383 5.688 20.150 1.00 16.63 C ATOM 0 HA PRO A 65 16.649 7.558 19.314 1.00 21.54 H new ATOM 0 HB2 PRO A 65 15.159 6.772 17.259 1.00 19.57 H new ATOM 0 HB3 PRO A 65 16.062 5.749 18.016 1.00 19.57 H new ATOM 0 HG2 PRO A 65 13.306 6.237 18.515 1.00 17.22 H new ATOM 0 HG3 PRO A 65 13.975 4.838 18.348 1.00 17.22 H new ATOM 0 HD2 PRO A 65 13.572 5.583 20.672 1.00 16.63 H new ATOM 0 HD3 PRO A 65 14.971 4.954 20.387 1.00 16.63 H new ATOM 472 N GLY A 66 16.384 9.708 18.595 1.00 23.90 N ATOM 473 CA GLY A 66 16.212 11.080 18.141 1.00 25.08 C ATOM 474 C GLY A 66 15.754 12.078 19.190 1.00 26.54 C ATOM 475 O GLY A 66 15.664 13.271 18.907 1.00 28.01 O ATOM 0 H GLY A 66 17.193 9.499 18.799 1.00 23.90 H new ATOM 0 HA2 GLY A 66 17.055 11.388 17.774 1.00 25.08 H new ATOM 0 HA3 GLY A 66 15.569 11.083 17.415 1.00 25.08 H new ATOM 476 N GLN A 67 15.426 11.601 20.388 1.00 28.35 N ATOM 477 CA GLN A 67 14.988 12.483 21.462 1.00 26.65 C ATOM 478 C GLN A 67 16.089 12.787 22.482 1.00 28.15 C ATOM 479 O GLN A 67 15.942 13.705 23.292 1.00 29.00 O ATOM 480 CB GLN A 67 13.772 11.894 22.173 1.00 25.99 C ATOM 481 CG GLN A 67 12.443 12.289 21.545 1.00 33.11 C ATOM 482 CD GLN A 67 11.259 11.623 22.230 1.00 40.42 C ATOM 483 OE1 GLN A 67 10.879 10.498 21.885 1.00 43.32 O ATOM 484 NE2 GLN A 67 10.681 12.302 23.218 1.00 42.28 N ATOM 0 H GLN A 67 15.451 10.767 20.598 1.00 28.35 H new ATOM 0 HA GLN A 67 14.751 13.325 21.043 1.00 26.65 H new ATOM 0 HB2 GLN A 67 13.845 10.927 22.174 1.00 25.99 H new ATOM 0 HB3 GLN A 67 13.780 12.180 23.100 1.00 25.99 H new ATOM 0 HG2 GLN A 67 12.340 13.252 21.590 1.00 33.11 H new ATOM 0 HG3 GLN A 67 12.448 12.048 20.605 1.00 33.11 H new ATOM 0 HE21 GLN A 67 10.972 13.083 23.431 1.00 42.28 H new ATOM 0 HE22 GLN A 67 10.016 11.960 23.643 1.00 42.28 H new ATOM 485 N THR A 68 17.186 12.025 22.439 1.00 24.53 N ATOM 486 CA THR A 68 18.301 12.203 23.364 1.00 20.66 C ATOM 487 C THR A 68 19.546 11.634 22.717 1.00 21.56 C ATOM 488 O THR A 68 19.443 10.843 21.763 1.00 23.42 O ATOM 489 CB THR A 68 18.046 11.470 24.730 1.00 18.08 C ATOM 490 OG1 THR A 68 19.215 11.543 25.549 1.00 22.83 O ATOM 491 CG2 THR A 68 17.710 10.019 24.532 1.00 11.42 C ATOM 0 H THR A 68 17.301 11.390 21.870 1.00 24.53 H new ATOM 0 HA THR A 68 18.403 13.149 23.552 1.00 20.66 H new ATOM 0 HB THR A 68 17.296 11.914 25.155 1.00 18.08 H new ATOM 0 HG1 THR A 68 19.244 12.291 25.930 1.00 22.83 H new ATOM 0 HG21 THR A 68 17.560 9.601 25.394 1.00 11.42 H new ATOM 0 HG22 THR A 68 16.908 9.943 23.992 1.00 11.42 H new ATOM 0 HG23 THR A 68 18.445 9.575 24.082 1.00 11.42 H new ATOM 492 N GLU A 69 20.712 12.052 23.221 1.00 19.27 N ATOM 493 CA GLU A 69 22.012 11.586 22.729 1.00 18.31 C ATOM 494 C GLU A 69 22.677 10.721 23.798 1.00 18.31 C ATOM 495 O GLU A 69 23.826 10.305 23.648 1.00 16.32 O ATOM 496 CB GLU A 69 22.943 12.759 22.446 1.00 21.77 C ATOM 497 CG GLU A 69 22.623 13.633 21.240 1.00 31.60 C ATOM 498 CD GLU A 69 23.368 14.968 21.305 1.00 40.14 C ATOM 499 OE1 GLU A 69 23.838 15.326 22.413 1.00 46.61 O ATOM 500 OE2 GLU A 69 23.474 15.663 20.270 1.00 40.38 O ATOM 0 H GLU A 69 20.770 12.620 23.864 1.00 19.27 H new ATOM 0 HA GLU A 69 21.859 11.085 21.913 1.00 18.31 H new ATOM 0 HB2 GLU A 69 22.957 13.327 23.232 1.00 21.77 H new ATOM 0 HB3 GLU A 69 23.840 12.409 22.333 1.00 21.77 H new ATOM 0 HG2 GLU A 69 22.865 13.165 20.426 1.00 31.60 H new ATOM 0 HG3 GLU A 69 21.668 13.795 21.200 1.00 31.60 H new ATOM 501 N ALA A 70 21.977 10.519 24.909 1.00 18.57 N ATOM 502 CA ALA A 70 22.497 9.730 26.001 1.00 16.94 C ATOM 503 C ALA A 70 22.799 8.320 25.546 1.00 19.12 C ATOM 504 O ALA A 70 21.914 7.601 25.074 1.00 19.93 O ATOM 505 CB ALA A 70 21.513 9.716 27.133 1.00 17.31 C ATOM 0 H ALA A 70 21.190 10.837 25.045 1.00 18.57 H new ATOM 0 HA ALA A 70 23.325 10.131 26.308 1.00 16.94 H new ATOM 0 HB1 ALA A 70 21.867 9.185 27.863 1.00 17.31 H new ATOM 0 HB2 ALA A 70 21.358 10.623 27.439 1.00 17.31 H new ATOM 0 HB3 ALA A 70 20.676 9.331 26.830 1.00 17.31 H new ATOM 506 N LYS A 71 24.063 7.937 25.642 1.00 20.89 N ATOM 507 CA LYS A 71 24.478 6.592 25.263 1.00 23.99 C ATOM 508 C LYS A 71 24.046 5.580 26.320 1.00 24.95 C ATOM 509 O LYS A 71 24.324 5.750 27.503 1.00 26.42 O ATOM 510 CB LYS A 71 25.997 6.507 25.115 1.00 24.16 C ATOM 511 CG LYS A 71 26.549 6.811 23.738 1.00 23.80 C ATOM 512 CD LYS A 71 27.994 6.404 23.713 1.00 21.80 C ATOM 513 CE LYS A 71 28.546 6.377 22.314 1.00 25.80 C ATOM 514 NZ LYS A 71 29.981 5.938 22.337 1.00 26.63 N ATOM 0 H LYS A 71 24.700 8.441 25.925 1.00 20.89 H new ATOM 0 HA LYS A 71 24.055 6.390 24.414 1.00 23.99 H new ATOM 0 HB2 LYS A 71 26.401 7.121 25.748 1.00 24.16 H new ATOM 0 HB3 LYS A 71 26.279 5.614 25.367 1.00 24.16 H new ATOM 0 HG2 LYS A 71 26.050 6.330 23.059 1.00 23.80 H new ATOM 0 HG3 LYS A 71 26.460 7.756 23.539 1.00 23.80 H new ATOM 0 HD2 LYS A 71 28.513 7.021 24.253 1.00 21.80 H new ATOM 0 HD3 LYS A 71 28.089 5.526 24.115 1.00 21.80 H new ATOM 0 HE2 LYS A 71 28.024 5.773 21.764 1.00 25.80 H new ATOM 0 HE3 LYS A 71 28.476 7.258 21.913 1.00 25.80 H new ATOM 0 HZ1 LYS A 71 30.301 5.924 21.507 1.00 26.63 H new ATOM 0 HZ2 LYS A 71 30.458 6.506 22.829 1.00 26.63 H new ATOM 0 HZ3 LYS A 71 30.037 5.123 22.689 1.00 26.63 H new ATOM 515 N ALA A 72 23.434 4.492 25.871 1.00 26.61 N ATOM 516 CA ALA A 72 22.978 3.418 26.742 1.00 27.03 C ATOM 517 C ALA A 72 24.132 2.856 27.584 1.00 26.47 C ATOM 518 O ALA A 72 23.912 2.161 28.580 1.00 25.61 O ATOM 519 CB ALA A 72 22.350 2.317 25.892 1.00 30.16 C ATOM 0 H ALA A 72 23.269 4.355 25.038 1.00 26.61 H new ATOM 0 HA ALA A 72 22.316 3.772 27.356 1.00 27.03 H new ATOM 0 HB1 ALA A 72 22.044 1.598 26.467 1.00 30.16 H new ATOM 0 HB2 ALA A 72 21.597 2.678 25.399 1.00 30.16 H new ATOM 0 HB3 ALA A 72 23.009 1.973 25.269 1.00 30.16 H new ATOM 520 N ALA A 73 25.356 3.172 27.164 1.00 26.84 N ATOM 521 CA ALA A 73 26.592 2.754 27.837 1.00 27.02 C ATOM 522 C ALA A 73 26.680 3.325 29.251 1.00 26.61 C ATOM 523 O ALA A 73 27.375 2.771 30.105 1.00 25.84 O ATOM 524 CB ALA A 73 27.803 3.209 27.021 1.00 24.68 C ATOM 0 H ALA A 73 25.497 3.648 26.462 1.00 26.84 H new ATOM 0 HA ALA A 73 26.584 1.786 27.904 1.00 27.02 H new ATOM 0 HB1 ALA A 73 28.618 2.931 27.468 1.00 24.68 H new ATOM 0 HB2 ALA A 73 27.767 2.809 26.138 1.00 24.68 H new ATOM 0 HB3 ALA A 73 27.793 4.175 26.939 1.00 24.68 H new ATOM 525 N ILE A 74 26.016 4.462 29.453 1.00 24.23 N ATOM 526 CA ILE A 74 25.958 5.157 30.730 1.00 23.47 C ATOM 527 C ILE A 74 25.447 4.173 31.767 1.00 24.94 C ATOM 528 O ILE A 74 26.047 3.991 32.833 1.00 25.41 O ATOM 529 CB ILE A 74 24.964 6.356 30.656 1.00 20.35 C ATOM 530 CG1 ILE A 74 25.512 7.434 29.728 1.00 19.96 C ATOM 531 CG2 ILE A 74 24.692 6.950 32.039 1.00 16.68 C ATOM 532 CD1 ILE A 74 24.475 8.416 29.284 1.00 19.13 C ATOM 0 H ILE A 74 25.575 4.859 28.830 1.00 24.23 H new ATOM 0 HA ILE A 74 26.839 5.493 30.958 1.00 23.47 H new ATOM 0 HB ILE A 74 24.124 6.021 30.305 1.00 20.35 H new ATOM 0 HG12 ILE A 74 26.226 7.910 30.181 1.00 19.96 H new ATOM 0 HG13 ILE A 74 25.903 7.012 28.948 1.00 19.96 H new ATOM 0 HG21 ILE A 74 24.072 7.691 31.957 1.00 16.68 H new ATOM 0 HG22 ILE A 74 24.308 6.270 32.614 1.00 16.68 H new ATOM 0 HG23 ILE A 74 25.524 7.266 32.425 1.00 16.68 H new ATOM 0 HD11 ILE A 74 24.882 9.074 28.699 1.00 19.13 H new ATOM 0 HD12 ILE A 74 23.771 7.950 28.806 1.00 19.13 H new ATOM 0 HD13 ILE A 74 24.099 8.862 30.059 1.00 19.13 H new ATOM 533 N TRP A 75 24.396 3.459 31.394 1.00 23.25 N ATOM 534 CA TRP A 75 23.773 2.501 32.283 1.00 23.61 C ATOM 535 C TRP A 75 24.541 1.211 32.596 1.00 24.78 C ATOM 536 O TRP A 75 24.112 0.403 33.419 1.00 27.59 O ATOM 537 CB TRP A 75 22.353 2.269 31.819 1.00 20.91 C ATOM 538 CG TRP A 75 21.520 3.491 32.102 1.00 20.57 C ATOM 539 CD1 TRP A 75 20.896 3.795 33.284 1.00 20.27 C ATOM 540 CD2 TRP A 75 21.263 4.597 31.218 1.00 19.08 C ATOM 541 NE1 TRP A 75 20.274 5.012 33.185 1.00 19.83 N ATOM 542 CE2 TRP A 75 20.480 5.526 31.929 1.00 19.29 C ATOM 543 CE3 TRP A 75 21.621 4.893 29.900 1.00 16.42 C ATOM 544 CZ2 TRP A 75 20.047 6.724 31.368 1.00 13.91 C ATOM 545 CZ3 TRP A 75 21.194 6.077 29.356 1.00 14.40 C ATOM 546 CH2 TRP A 75 20.409 6.981 30.093 1.00 10.35 C ATOM 0 H TRP A 75 24.026 3.518 30.620 1.00 23.25 H new ATOM 0 HA TRP A 75 23.783 2.910 33.163 1.00 23.61 H new ATOM 0 HB2 TRP A 75 22.342 2.072 30.869 1.00 20.91 H new ATOM 0 HB3 TRP A 75 21.977 1.498 32.273 1.00 20.91 H new ATOM 0 HD1 TRP A 75 20.895 3.255 34.041 1.00 20.27 H new ATOM 0 HE1 TRP A 75 19.825 5.394 33.811 1.00 19.83 H new ATOM 0 HE3 TRP A 75 22.137 4.300 29.403 1.00 16.42 H new ATOM 0 HZ2 TRP A 75 19.528 7.324 31.853 1.00 13.91 H new ATOM 0 HZ3 TRP A 75 21.429 6.287 28.481 1.00 14.40 H new ATOM 0 HH2 TRP A 75 20.133 7.774 29.693 1.00 10.35 H new ATOM 547 N ALA A 76 25.720 1.079 31.997 1.00 24.18 N ATOM 548 CA ALA A 76 26.611 -0.043 32.228 1.00 24.52 C ATOM 549 C ALA A 76 27.854 0.488 32.931 1.00 26.46 C ATOM 550 O ALA A 76 28.720 -0.284 33.315 1.00 29.66 O ATOM 551 CB ALA A 76 27.019 -0.685 30.918 1.00 21.91 C ATOM 0 H ALA A 76 26.027 1.652 31.434 1.00 24.18 H new ATOM 0 HA ALA A 76 26.160 -0.711 32.767 1.00 24.52 H new ATOM 0 HB1 ALA A 76 27.613 -1.431 31.094 1.00 21.91 H new ATOM 0 HB2 ALA A 76 26.229 -1.004 30.454 1.00 21.91 H new ATOM 0 HB3 ALA A 76 27.476 -0.032 30.366 1.00 21.91 H new ATOM 552 N ASN A 77 27.957 1.810 33.061 1.00 28.65 N ATOM 553 CA ASN A 77 29.108 2.451 33.704 1.00 28.20 C ATOM 554 C ASN A 77 28.680 3.600 34.611 1.00 28.64 C ATOM 555 O ASN A 77 29.367 4.613 34.679 1.00 28.67 O ATOM 556 CB ASN A 77 30.059 3.013 32.648 1.00 30.30 C ATOM 557 CG ASN A 77 30.838 1.939 31.925 1.00 34.21 C ATOM 558 OD1 ASN A 77 31.810 1.418 32.458 1.00 37.20 O ATOM 559 ND2 ASN A 77 30.425 1.609 30.700 1.00 34.00 N ATOM 0 H ASN A 77 27.361 2.363 32.779 1.00 28.65 H new ATOM 0 HA ASN A 77 29.549 1.771 34.236 1.00 28.20 H new ATOM 0 HB2 ASN A 77 29.550 3.527 32.002 1.00 30.30 H new ATOM 0 HB3 ASN A 77 30.680 3.626 33.072 1.00 30.30 H new ATOM 0 HD21 ASN A 77 30.846 1.008 30.252 1.00 34.00 H new ATOM 0 HD22 ASN A 77 29.738 1.997 30.359 1.00 34.00 H new ATOM 560 N MET A 78 27.580 3.434 35.340 1.00 28.76 N ATOM 561 CA MET A 78 27.090 4.491 36.227 1.00 33.25 C ATOM 562 C MET A 78 28.098 5.039 37.243 1.00 34.23 C ATOM 563 O MET A 78 28.021 6.211 37.621 1.00 36.28 O ATOM 564 CB MET A 78 25.802 4.070 36.946 1.00 35.99 C ATOM 565 CG MET A 78 24.499 4.315 36.165 1.00 41.46 C ATOM 566 SD MET A 78 24.093 6.061 35.746 1.00 47.52 S ATOM 567 CE MET A 78 25.062 6.998 36.967 1.00 43.64 C ATOM 0 H MET A 78 27.102 2.719 35.337 1.00 28.76 H new ATOM 0 HA MET A 78 26.914 5.227 35.621 1.00 33.25 H new ATOM 0 HB2 MET A 78 25.862 3.125 37.157 1.00 35.99 H new ATOM 0 HB3 MET A 78 25.750 4.546 37.789 1.00 35.99 H new ATOM 0 HG2 MET A 78 24.543 3.809 35.339 1.00 41.46 H new ATOM 0 HG3 MET A 78 23.764 3.950 36.682 1.00 41.46 H new ATOM 0 HE1 MET A 78 24.650 7.864 37.112 1.00 43.64 H new ATOM 0 HE2 MET A 78 25.088 6.509 37.804 1.00 43.64 H new ATOM 0 HE3 MET A 78 25.966 7.122 36.637 1.00 43.64 H new ATOM 568 N ASP A 79 29.027 4.201 37.699 1.00 34.72 N ATOM 569 CA ASP A 79 30.050 4.630 38.656 1.00 33.81 C ATOM 570 C ASP A 79 31.067 5.559 38.008 1.00 31.21 C ATOM 571 O ASP A 79 31.532 6.511 38.624 1.00 30.69 O ATOM 572 CB ASP A 79 30.795 3.432 39.235 1.00 39.32 C ATOM 573 CG ASP A 79 29.964 2.648 40.205 1.00 46.37 C ATOM 574 OD1 ASP A 79 29.454 3.243 41.184 1.00 49.83 O ATOM 575 OD2 ASP A 79 29.830 1.426 39.986 1.00 53.21 O ATOM 0 H ASP A 79 29.084 3.375 37.466 1.00 34.72 H new ATOM 0 HA ASP A 79 29.586 5.104 39.364 1.00 33.81 H new ATOM 0 HB2 ASP A 79 31.076 2.850 38.512 1.00 39.32 H new ATOM 0 HB3 ASP A 79 31.600 3.741 39.680 1.00 39.32 H new ATOM 576 N ASP A 80 31.417 5.269 36.763 1.00 29.50 N ATOM 577 CA ASP A 80 32.377 6.083 36.031 1.00 29.71 C ATOM 578 C ASP A 80 31.702 7.375 35.604 1.00 27.22 C ATOM 579 O ASP A 80 32.309 8.439 35.598 1.00 30.80 O ATOM 580 CB ASP A 80 32.870 5.334 34.795 1.00 29.14 C ATOM 581 CG ASP A 80 34.001 6.038 34.120 1.00 31.09 C ATOM 582 OD1 ASP A 80 34.945 6.432 34.838 1.00 39.11 O ATOM 583 OD2 ASP A 80 33.941 6.226 32.890 1.00 29.35 O ATOM 0 H ASP A 80 31.108 4.600 36.320 1.00 29.50 H new ATOM 0 HA ASP A 80 33.136 6.277 36.603 1.00 29.71 H new ATOM 0 HB2 ASP A 80 33.153 4.442 35.051 1.00 29.14 H new ATOM 0 HB3 ASP A 80 32.137 5.230 34.169 1.00 29.14 H new ATOM 584 N PHE A 81 30.431 7.258 35.255 1.00 26.63 N ATOM 585 CA PHE A 81 29.611 8.380 34.832 1.00 24.96 C ATOM 586 C PHE A 81 29.489 9.354 36.015 1.00 24.14 C ATOM 587 O PHE A 81 29.660 10.555 35.850 1.00 26.70 O ATOM 588 CB PHE A 81 28.244 7.841 34.371 1.00 22.54 C ATOM 589 CG PHE A 81 27.355 8.869 33.753 1.00 19.53 C ATOM 590 CD1 PHE A 81 27.622 9.369 32.488 1.00 20.69 C ATOM 591 CD2 PHE A 81 26.261 9.356 34.443 1.00 16.95 C ATOM 592 CE1 PHE A 81 26.810 10.341 31.930 1.00 20.77 C ATOM 593 CE2 PHE A 81 25.450 10.327 33.889 1.00 16.89 C ATOM 594 CZ PHE A 81 25.720 10.822 32.639 1.00 12.72 C ATOM 0 H PHE A 81 30.011 6.507 35.257 1.00 26.63 H new ATOM 0 HA PHE A 81 30.005 8.859 34.086 1.00 24.96 H new ATOM 0 HB2 PHE A 81 28.389 7.127 33.731 1.00 22.54 H new ATOM 0 HB3 PHE A 81 27.788 7.451 35.133 1.00 22.54 H new ATOM 0 HD1 PHE A 81 28.353 9.049 32.010 1.00 20.69 H new ATOM 0 HD2 PHE A 81 26.069 9.026 35.291 1.00 16.95 H new ATOM 0 HE1 PHE A 81 26.995 10.671 31.081 1.00 20.77 H new ATOM 0 HE2 PHE A 81 24.718 10.646 34.366 1.00 16.89 H new ATOM 0 HZ PHE A 81 25.174 11.478 32.268 1.00 12.72 H new ATOM 595 N GLY A 82 29.264 8.828 37.216 1.00 23.78 N ATOM 596 CA GLY A 82 29.173 9.674 38.399 1.00 23.40 C ATOM 597 C GLY A 82 30.481 10.400 38.684 1.00 22.73 C ATOM 598 O GLY A 82 30.502 11.591 38.985 1.00 21.70 O ATOM 0 H GLY A 82 29.162 7.987 37.366 1.00 23.78 H new ATOM 0 HA2 GLY A 82 28.463 10.324 38.277 1.00 23.40 H new ATOM 0 HA3 GLY A 82 28.932 9.131 39.166 1.00 23.40 H new ATOM 599 N ALA A 83 31.582 9.670 38.573 1.00 23.41 N ATOM 600 CA ALA A 83 32.924 10.196 38.787 1.00 20.26 C ATOM 601 C ALA A 83 33.212 11.365 37.850 1.00 20.00 C ATOM 602 O ALA A 83 33.768 12.372 38.272 1.00 20.30 O ATOM 603 CB ALA A 83 33.955 9.083 38.563 1.00 21.30 C ATOM 0 H ALA A 83 31.570 8.835 38.366 1.00 23.41 H new ATOM 0 HA ALA A 83 32.984 10.518 39.700 1.00 20.26 H new ATOM 0 HB1 ALA A 83 34.848 9.435 38.706 1.00 21.30 H new ATOM 0 HB2 ALA A 83 33.790 8.358 39.186 1.00 21.30 H new ATOM 0 HB3 ALA A 83 33.881 8.751 37.655 1.00 21.30 H new ATOM 604 N LYS A 84 32.882 11.200 36.568 1.00 19.46 N ATOM 605 CA LYS A 84 33.091 12.249 35.560 1.00 18.58 C ATOM 606 C LYS A 84 32.142 13.386 35.860 1.00 17.82 C ATOM 607 O LYS A 84 32.426 14.547 35.561 1.00 19.50 O ATOM 608 CB LYS A 84 32.895 11.708 34.138 1.00 19.13 C ATOM 609 CG LYS A 84 33.932 10.664 33.803 1.00 19.77 C ATOM 610 CD LYS A 84 33.998 10.315 32.345 1.00 25.23 C ATOM 611 CE LYS A 84 35.124 9.324 32.114 1.00 23.69 C ATOM 612 NZ LYS A 84 35.333 9.092 30.676 1.00 30.10 N ATOM 0 H LYS A 84 32.531 10.479 36.256 1.00 19.46 H new ATOM 0 HA LYS A 84 34.006 12.569 35.603 1.00 18.58 H new ATOM 0 HB2 LYS A 84 32.008 11.325 34.055 1.00 19.13 H new ATOM 0 HB3 LYS A 84 32.950 12.438 33.501 1.00 19.13 H new ATOM 0 HG2 LYS A 84 34.802 10.982 34.090 1.00 19.77 H new ATOM 0 HG3 LYS A 84 33.743 9.859 34.311 1.00 19.77 H new ATOM 0 HD2 LYS A 84 33.154 9.934 32.055 1.00 25.23 H new ATOM 0 HD3 LYS A 84 34.145 11.115 31.817 1.00 25.23 H new ATOM 0 HE2 LYS A 84 35.942 9.659 32.514 1.00 23.69 H new ATOM 0 HE3 LYS A 84 34.917 8.485 32.554 1.00 23.69 H new ATOM 0 HZ1 LYS A 84 36.200 9.156 30.488 1.00 30.10 H new ATOM 0 HZ2 LYS A 84 35.042 8.279 30.461 1.00 30.10 H new ATOM 0 HZ3 LYS A 84 34.883 9.701 30.208 1.00 30.10 H new ATOM 613 N GLY A 85 31.016 13.039 36.470 1.00 17.17 N ATOM 614 CA GLY A 85 30.061 14.038 36.898 1.00 17.77 C ATOM 615 C GLY A 85 30.647 14.794 38.090 1.00 17.26 C ATOM 616 O GLY A 85 30.553 16.011 38.148 1.00 17.63 O ATOM 0 H GLY A 85 30.790 12.228 36.644 1.00 17.17 H new ATOM 0 HA2 GLY A 85 29.868 14.652 36.172 1.00 17.77 H new ATOM 0 HA3 GLY A 85 29.222 13.618 37.145 1.00 17.77 H new ATOM 617 N LYS A 86 31.308 14.096 39.013 1.00 19.72 N ATOM 618 CA LYS A 86 31.909 14.763 40.184 1.00 23.93 C ATOM 619 C LYS A 86 33.130 15.574 39.767 1.00 20.57 C ATOM 620 O LYS A 86 33.316 16.703 40.211 1.00 20.43 O ATOM 621 CB LYS A 86 32.304 13.755 41.273 1.00 29.35 C ATOM 622 CG LYS A 86 31.294 13.616 42.405 1.00 35.24 C ATOM 623 CD LYS A 86 31.517 12.308 43.170 1.00 40.91 C ATOM 624 CE LYS A 86 31.159 11.096 42.299 1.00 45.05 C ATOM 625 NZ LYS A 86 31.682 9.807 42.821 1.00 48.41 N ATOM 0 H LYS A 86 31.422 13.244 38.986 1.00 19.72 H new ATOM 0 HA LYS A 86 31.237 15.357 40.553 1.00 23.93 H new ATOM 0 HB2 LYS A 86 32.433 12.886 40.862 1.00 29.35 H new ATOM 0 HB3 LYS A 86 33.158 14.020 41.648 1.00 29.35 H new ATOM 0 HG2 LYS A 86 31.375 14.369 43.011 1.00 35.24 H new ATOM 0 HG3 LYS A 86 30.393 13.637 42.046 1.00 35.24 H new ATOM 0 HD2 LYS A 86 32.444 12.247 43.451 1.00 40.91 H new ATOM 0 HD3 LYS A 86 30.976 12.304 43.975 1.00 40.91 H new ATOM 0 HE2 LYS A 86 30.194 11.037 42.223 1.00 45.05 H new ATOM 0 HE3 LYS A 86 31.506 11.238 41.404 1.00 45.05 H new ATOM 0 HZ1 LYS A 86 31.442 9.146 42.275 1.00 48.41 H new ATOM 0 HZ2 LYS A 86 32.570 9.844 42.869 1.00 48.41 H new ATOM 0 HZ3 LYS A 86 31.347 9.657 43.632 1.00 48.41 H new ATOM 626 N ALA A 87 33.928 15.003 38.874 1.00 15.90 N ATOM 627 CA ALA A 87 35.110 15.654 38.365 1.00 12.10 C ATOM 628 C ALA A 87 34.743 17.018 37.786 1.00 14.98 C ATOM 629 O ALA A 87 35.503 17.983 37.881 1.00 18.46 O ATOM 630 CB ALA A 87 35.714 14.803 37.301 1.00 5.59 C ATOM 0 H ALA A 87 33.792 14.219 38.547 1.00 15.90 H new ATOM 0 HA ALA A 87 35.747 15.779 39.086 1.00 12.10 H new ATOM 0 HB1 ALA A 87 36.510 15.235 36.954 1.00 5.59 H new ATOM 0 HB2 ALA A 87 35.952 13.939 37.673 1.00 5.59 H new ATOM 0 HB3 ALA A 87 35.074 14.680 36.583 1.00 5.59 H new ATOM 631 N MET A 88 33.558 17.112 37.203 1.00 16.08 N ATOM 632 CA MET A 88 33.141 18.366 36.617 1.00 14.16 C ATOM 633 C MET A 88 32.763 19.350 37.711 1.00 12.09 C ATOM 634 O MET A 88 33.132 20.517 37.666 1.00 11.69 O ATOM 635 CB MET A 88 31.966 18.126 35.674 1.00 18.48 C ATOM 636 CG MET A 88 31.648 19.295 34.764 1.00 19.56 C ATOM 637 SD MET A 88 30.131 20.139 35.228 1.00 24.55 S ATOM 638 CE MET A 88 28.971 18.817 35.301 1.00 16.22 C ATOM 0 H MET A 88 32.990 16.470 37.138 1.00 16.08 H new ATOM 0 HA MET A 88 33.875 18.745 36.108 1.00 14.16 H new ATOM 0 HB2 MET A 88 32.157 17.347 35.128 1.00 18.48 H new ATOM 0 HB3 MET A 88 31.179 17.917 36.201 1.00 18.48 H new ATOM 0 HG2 MET A 88 32.384 19.926 34.784 1.00 19.56 H new ATOM 0 HG3 MET A 88 31.571 18.978 33.851 1.00 19.56 H new ATOM 0 HE1 MET A 88 28.071 19.177 35.343 1.00 16.22 H new ATOM 0 HE2 MET A 88 29.060 18.264 34.509 1.00 16.22 H new ATOM 0 HE3 MET A 88 29.141 18.280 36.091 1.00 16.22 H new ATOM 639 N HIS A 89 32.045 18.876 38.716 1.00 11.17 N ATOM 640 CA HIS A 89 31.640 19.768 39.786 1.00 12.21 C ATOM 641 C HIS A 89 32.843 20.392 40.491 1.00 15.83 C ATOM 642 O HIS A 89 32.762 21.515 40.974 1.00 20.18 O ATOM 643 CB HIS A 89 30.724 19.050 40.776 1.00 5.82 C ATOM 644 CG AHIS A 89 29.290 19.005 40.350 0.50 3.16 C ATOM 645 CG BHIS A 89 30.121 19.950 41.804 0.50 5.13 C ATOM 646 ND1AHIS A 89 28.794 18.049 39.491 0.50 2.00 N ATOM 647 ND1BHIS A 89 30.640 20.088 43.073 0.50 7.10 N ATOM 648 CD2AHIS A 89 28.253 19.825 40.638 0.50 3.54 C ATOM 649 CD2BHIS A 89 29.052 20.775 41.744 0.50 6.20 C ATOM 650 CE1AHIS A 89 27.512 18.287 39.263 0.50 4.59 C ATOM 651 CE1BHIS A 89 29.916 20.960 43.751 0.50 6.98 C ATOM 652 NE2AHIS A 89 27.162 19.357 39.947 0.50 5.35 N ATOM 653 NE2BHIS A 89 28.947 21.393 42.966 0.50 7.77 N ATOM 0 H HIS A 89 31.787 18.060 38.797 1.00 11.17 H new ATOM 0 HA HIS A 89 31.138 20.495 39.386 1.00 12.21 H new ATOM 0 HB2AHIS A 89 31.044 18.143 40.900 0.50 5.82 H new ATOM 0 HB2BHIS A 89 30.012 18.612 40.285 0.50 5.82 H new ATOM 0 HB3AHIS A 89 30.783 19.492 41.637 0.50 5.82 H new ATOM 0 HB3BHIS A 89 31.229 18.354 41.224 0.50 5.82 H new ATOM 0 HD1AHIS A 89 29.246 17.399 39.155 0.50 7.10 H new ATOM 0 HD2AHIS A 89 28.275 20.567 41.199 0.50 6.20 H new ATOM 0 HD2BHIS A 89 28.492 20.901 41.012 0.50 6.20 H new ATOM 0 HE1AHIS A 89 26.954 17.785 38.714 0.50 6.98 H new ATOM 0 HE1BHIS A 89 30.064 21.224 44.631 0.50 6.98 H new ATOM 0 HE2BHIS A 89 28.347 21.969 43.184 0.50 7.77 H new ATOM 654 N GLU A 90 33.960 19.677 40.528 1.00 18.42 N ATOM 655 CA GLU A 90 35.165 20.175 41.169 1.00 19.86 C ATOM 656 C GLU A 90 35.921 21.194 40.337 1.00 18.65 C ATOM 657 O GLU A 90 36.434 22.173 40.877 1.00 19.29 O ATOM 658 CB GLU A 90 36.101 19.040 41.529 1.00 28.08 C ATOM 659 CG GLU A 90 35.835 18.428 42.892 1.00 42.21 C ATOM 660 CD GLU A 90 37.095 17.813 43.491 1.00 50.69 C ATOM 661 OE1 GLU A 90 37.770 17.009 42.787 1.00 50.88 O ATOM 662 OE2 GLU A 90 37.413 18.160 44.658 1.00 53.23 O ATOM 0 H GLU A 90 34.039 18.893 40.183 1.00 18.42 H new ATOM 0 HA GLU A 90 34.859 20.624 41.972 1.00 19.86 H new ATOM 0 HB2 GLU A 90 36.029 18.347 40.854 1.00 28.08 H new ATOM 0 HB3 GLU A 90 37.014 19.366 41.504 1.00 28.08 H new ATOM 0 HG2 GLU A 90 35.491 19.109 43.491 1.00 42.21 H new ATOM 0 HG3 GLU A 90 35.149 17.747 42.813 1.00 42.21 H new ATOM 663 N ALA A 91 36.057 20.937 39.042 1.00 16.55 N ATOM 664 CA ALA A 91 36.742 21.883 38.154 1.00 15.67 C ATOM 665 C ALA A 91 35.962 23.213 38.171 1.00 13.80 C ATOM 666 O ALA A 91 36.547 24.291 38.202 1.00 18.86 O ATOM 667 CB ALA A 91 36.828 21.304 36.699 1.00 14.29 C ATOM 0 H ALA A 91 35.764 20.227 38.655 1.00 16.55 H new ATOM 0 HA ALA A 91 37.650 22.033 38.462 1.00 15.67 H new ATOM 0 HB1 ALA A 91 37.283 21.939 36.124 1.00 14.29 H new ATOM 0 HB2 ALA A 91 37.322 20.469 36.711 1.00 14.29 H new ATOM 0 HB3 ALA A 91 35.933 21.145 36.360 1.00 14.29 H new ATOM 668 N GLY A 92 34.639 23.129 38.217 1.00 11.77 N ATOM 669 CA GLY A 92 33.825 24.325 38.237 1.00 9.76 C ATOM 670 C GLY A 92 34.034 25.136 39.491 1.00 10.93 C ATOM 671 O GLY A 92 33.884 26.345 39.452 1.00 13.27 O ATOM 0 H GLY A 92 34.198 22.391 38.237 1.00 11.77 H new ATOM 0 HA2 GLY A 92 34.035 24.870 37.463 1.00 9.76 H new ATOM 0 HA3 GLY A 92 32.890 24.079 38.165 1.00 9.76 H new ATOM 672 N GLY A 93 34.265 24.476 40.626 1.00 11.26 N ATOM 673 CA GLY A 93 34.512 25.193 41.862 1.00 9.34 C ATOM 674 C GLY A 93 35.812 25.975 41.695 1.00 14.68 C ATOM 675 O GLY A 93 35.903 27.146 42.076 1.00 14.38 O ATOM 0 H GLY A 93 34.282 23.619 40.696 1.00 11.26 H new ATOM 0 HA2 GLY A 93 33.777 25.794 42.059 1.00 9.34 H new ATOM 0 HA3 GLY A 93 34.580 24.575 42.606 1.00 9.34 H new ATOM 676 N ALA A 94 36.780 25.363 41.020 1.00 10.23 N ATOM 677 CA ALA A 94 38.064 26.000 40.795 1.00 13.62 C ATOM 678 C ALA A 94 37.907 27.251 39.950 1.00 13.23 C ATOM 679 O ALA A 94 38.590 28.255 40.174 1.00 19.06 O ATOM 680 CB ALA A 94 39.025 25.022 40.114 1.00 13.83 C ATOM 0 H ALA A 94 36.709 24.575 40.684 1.00 10.23 H new ATOM 0 HA ALA A 94 38.431 26.258 41.655 1.00 13.62 H new ATOM 0 HB1 ALA A 94 39.880 25.457 39.968 1.00 13.83 H new ATOM 0 HB2 ALA A 94 39.151 24.244 40.680 1.00 13.83 H new ATOM 0 HB3 ALA A 94 38.654 24.744 39.262 1.00 13.83 H new ATOM 681 N VAL A 95 37.039 27.170 38.950 1.00 12.87 N ATOM 682 CA VAL A 95 36.772 28.289 38.060 1.00 13.00 C ATOM 683 C VAL A 95 36.096 29.434 38.819 1.00 12.02 C ATOM 684 O VAL A 95 36.465 30.598 38.681 1.00 13.07 O ATOM 685 CB VAL A 95 35.869 27.848 36.859 1.00 12.07 C ATOM 686 CG1 VAL A 95 35.504 29.047 35.985 1.00 8.23 C ATOM 687 CG2 VAL A 95 36.599 26.804 36.025 1.00 15.47 C ATOM 0 H VAL A 95 36.587 26.461 38.768 1.00 12.87 H new ATOM 0 HA VAL A 95 37.623 28.598 37.713 1.00 13.00 H new ATOM 0 HB VAL A 95 35.050 27.467 37.213 1.00 12.07 H new ATOM 0 HG11 VAL A 95 34.946 28.753 35.248 1.00 8.23 H new ATOM 0 HG12 VAL A 95 35.021 29.699 36.516 1.00 8.23 H new ATOM 0 HG13 VAL A 95 36.313 29.451 35.635 1.00 8.23 H new ATOM 0 HG21 VAL A 95 36.038 26.533 35.282 1.00 15.47 H new ATOM 0 HG22 VAL A 95 37.425 27.181 35.684 1.00 15.47 H new ATOM 0 HG23 VAL A 95 36.800 26.032 36.577 1.00 15.47 H new ATOM 688 N ILE A 96 35.146 29.076 39.669 1.00 12.01 N ATOM 689 CA ILE A 96 34.388 30.047 40.447 1.00 12.51 C ATOM 690 C ILE A 96 35.333 30.795 41.388 1.00 13.93 C ATOM 691 O ILE A 96 35.294 32.038 41.462 1.00 15.94 O ATOM 692 CB ILE A 96 33.230 29.337 41.227 1.00 9.77 C ATOM 693 CG1 ILE A 96 32.254 28.713 40.223 1.00 7.00 C ATOM 694 CG2 ILE A 96 32.528 30.308 42.179 1.00 3.29 C ATOM 695 CD1 ILE A 96 31.300 27.676 40.801 1.00 3.39 C ATOM 0 H ILE A 96 34.920 28.259 39.813 1.00 12.01 H new ATOM 0 HA ILE A 96 33.978 30.694 39.852 1.00 12.51 H new ATOM 0 HB ILE A 96 33.600 28.630 41.778 1.00 9.77 H new ATOM 0 HG12 ILE A 96 31.731 29.423 39.819 1.00 7.00 H new ATOM 0 HG13 ILE A 96 32.766 28.298 39.511 1.00 7.00 H new ATOM 0 HG21 ILE A 96 31.817 29.844 42.648 1.00 3.29 H new ATOM 0 HG22 ILE A 96 33.168 30.652 42.821 1.00 3.29 H new ATOM 0 HG23 ILE A 96 32.153 31.045 41.672 1.00 3.29 H new ATOM 0 HD11 ILE A 96 30.724 27.338 40.097 1.00 3.39 H new ATOM 0 HD12 ILE A 96 31.810 26.943 41.181 1.00 3.39 H new ATOM 0 HD13 ILE A 96 30.758 28.085 41.493 1.00 3.39 H new ATOM 696 N ALA A 97 36.236 30.037 42.012 1.00 10.27 N ATOM 697 CA ALA A 97 37.215 30.567 42.966 1.00 10.26 C ATOM 698 C ALA A 97 38.164 31.541 42.286 1.00 8.40 C ATOM 699 O ALA A 97 38.372 32.663 42.774 1.00 8.85 O ATOM 700 CB ALA A 97 37.988 29.435 43.592 1.00 5.35 C ATOM 0 H ALA A 97 36.298 29.188 41.892 1.00 10.27 H new ATOM 0 HA ALA A 97 36.737 31.047 43.660 1.00 10.26 H new ATOM 0 HB1 ALA A 97 38.633 29.793 44.222 1.00 5.35 H new ATOM 0 HB2 ALA A 97 37.376 28.844 44.058 1.00 5.35 H new ATOM 0 HB3 ALA A 97 38.453 28.939 42.900 1.00 5.35 H new ATOM 701 N ALA A 98 38.666 31.146 41.119 1.00 8.18 N ATOM 702 CA ALA A 98 39.578 31.980 40.338 1.00 8.41 C ATOM 703 C ALA A 98 38.924 33.277 39.882 1.00 11.42 C ATOM 704 O ALA A 98 39.563 34.336 39.827 1.00 12.37 O ATOM 705 CB ALA A 98 40.067 31.215 39.154 1.00 15.60 C ATOM 0 H ALA A 98 38.488 30.387 40.757 1.00 8.18 H new ATOM 0 HA ALA A 98 40.323 32.217 40.912 1.00 8.41 H new ATOM 0 HB1 ALA A 98 40.672 31.770 38.637 1.00 15.60 H new ATOM 0 HB2 ALA A 98 40.535 30.419 39.453 1.00 15.60 H new ATOM 0 HB3 ALA A 98 39.313 30.957 38.601 1.00 15.60 H new ATOM 706 N ALA A 99 37.643 33.190 39.543 1.00 14.77 N ATOM 707 CA ALA A 99 36.874 34.352 39.106 1.00 11.53 C ATOM 708 C ALA A 99 36.769 35.321 40.263 1.00 10.79 C ATOM 709 O ALA A 99 36.979 36.529 40.107 1.00 10.74 O ATOM 710 CB ALA A 99 35.480 33.921 38.676 1.00 7.00 C ATOM 0 H ALA A 99 37.194 32.457 39.559 1.00 14.77 H new ATOM 0 HA ALA A 99 37.316 34.774 38.353 1.00 11.53 H new ATOM 0 HB1 ALA A 99 34.976 34.698 38.387 1.00 7.00 H new ATOM 0 HB2 ALA A 99 35.548 33.289 37.943 1.00 7.00 H new ATOM 0 HB3 ALA A 99 35.026 33.501 39.423 1.00 7.00 H new ATOM 711 N ASN A 100 36.453 34.767 41.428 1.00 11.28 N ATOM 712 CA ASN A 100 36.293 35.557 42.630 1.00 12.91 C ATOM 713 C ASN A 100 37.588 36.084 43.226 1.00 15.16 C ATOM 714 O ASN A 100 37.565 37.028 44.021 1.00 12.54 O ATOM 715 CB ASN A 100 35.465 34.800 43.647 1.00 14.19 C ATOM 716 CG ASN A 100 33.999 34.841 43.322 1.00 13.23 C ATOM 717 OD1 ASN A 100 33.392 35.913 43.253 1.00 17.30 O ATOM 718 ND2 ASN A 100 33.419 33.687 43.113 1.00 14.90 N ATOM 0 H ASN A 100 36.327 33.924 41.539 1.00 11.28 H new ATOM 0 HA ASN A 100 35.816 36.358 42.363 1.00 12.91 H new ATOM 0 HB2 ASN A 100 35.762 33.877 43.682 1.00 14.19 H new ATOM 0 HB3 ASN A 100 35.611 35.179 44.528 1.00 14.19 H new ATOM 0 HD21 ASN A 100 32.582 33.655 42.919 1.00 14.90 H new ATOM 0 HD22 ASN A 100 33.875 32.960 43.170 1.00 14.90 H new ATOM 719 N ALA A 101 38.707 35.460 42.853 1.00 16.60 N ATOM 720 CA ALA A 101 40.035 35.910 43.281 1.00 16.25 C ATOM 721 C ALA A 101 40.469 37.009 42.311 1.00 13.57 C ATOM 722 O ALA A 101 41.454 37.700 42.547 1.00 18.13 O ATOM 723 CB ALA A 101 41.051 34.748 43.245 1.00 16.27 C ATOM 0 H ALA A 101 38.718 34.765 42.346 1.00 16.60 H new ATOM 0 HA ALA A 101 40.000 36.237 44.193 1.00 16.25 H new ATOM 0 HB1 ALA A 101 41.920 35.069 43.532 1.00 16.27 H new ATOM 0 HB2 ALA A 101 40.756 34.041 43.840 1.00 16.27 H new ATOM 0 HB3 ALA A 101 41.116 34.403 42.341 1.00 16.27 H new ATOM 724 N GLY A 102 39.765 37.124 41.189 1.00 11.67 N ATOM 725 CA GLY A 102 40.081 38.142 40.203 1.00 11.61 C ATOM 726 C GLY A 102 41.351 37.795 39.479 1.00 14.60 C ATOM 727 O GLY A 102 42.008 38.648 38.879 1.00 17.19 O ATOM 0 H GLY A 102 39.100 36.620 40.982 1.00 11.67 H new ATOM 0 HA2 GLY A 102 39.352 38.223 39.568 1.00 11.61 H new ATOM 0 HA3 GLY A 102 40.175 39.004 40.638 1.00 11.61 H new ATOM 728 N ASP A 103 41.641 36.506 39.459 1.00 16.95 N ATOM 729 CA ASP A 103 42.866 35.995 38.862 1.00 17.83 C ATOM 730 C ASP A 103 42.671 35.504 37.430 1.00 17.14 C ATOM 731 O ASP A 103 42.423 34.322 37.195 1.00 17.67 O ATOM 732 CB ASP A 103 43.404 34.876 39.758 1.00 16.91 C ATOM 733 CG ASP A 103 44.862 34.600 39.536 1.00 20.02 C ATOM 734 OD1 ASP A 103 45.325 34.711 38.393 1.00 24.01 O ATOM 735 OD2 ASP A 103 45.547 34.241 40.513 1.00 28.11 O ATOM 0 H ASP A 103 41.132 35.898 39.792 1.00 16.95 H new ATOM 0 HA ASP A 103 43.506 36.721 38.803 1.00 17.83 H new ATOM 0 HB2 ASP A 103 43.263 35.116 40.687 1.00 16.91 H new ATOM 0 HB3 ASP A 103 42.897 34.065 39.594 1.00 16.91 H new ATOM 736 N GLY A 104 42.858 36.415 36.481 1.00 17.94 N ATOM 737 CA GLY A 104 42.699 36.110 35.069 1.00 15.83 C ATOM 738 C GLY A 104 43.507 34.940 34.560 1.00 18.02 C ATOM 739 O GLY A 104 43.096 34.265 33.626 1.00 18.48 O ATOM 0 H GLY A 104 43.081 37.230 36.641 1.00 17.94 H new ATOM 0 HA2 GLY A 104 41.761 35.934 34.896 1.00 15.83 H new ATOM 0 HA3 GLY A 104 42.940 36.897 34.555 1.00 15.83 H new ATOM 740 N ALA A 105 44.662 34.705 35.171 1.00 20.97 N ATOM 741 CA ALA A 105 45.529 33.604 34.774 1.00 23.57 C ATOM 742 C ALA A 105 45.039 32.310 35.409 1.00 24.90 C ATOM 743 O ALA A 105 45.013 31.268 34.760 1.00 28.03 O ATOM 744 CB ALA A 105 46.968 33.889 35.179 1.00 22.75 C ATOM 0 H ALA A 105 44.964 35.177 35.824 1.00 20.97 H new ATOM 0 HA ALA A 105 45.500 33.510 33.809 1.00 23.57 H new ATOM 0 HB1 ALA A 105 47.533 33.148 34.909 1.00 22.75 H new ATOM 0 HB2 ALA A 105 47.271 34.702 34.745 1.00 22.75 H new ATOM 0 HB3 ALA A 105 47.018 33.999 36.141 1.00 22.75 H new ATOM 745 N ALA A 106 44.640 32.373 36.677 1.00 24.39 N ATOM 746 CA ALA A 106 44.126 31.185 37.354 1.00 21.18 C ATOM 747 C ALA A 106 42.844 30.759 36.649 1.00 17.25 C ATOM 748 O ALA A 106 42.681 29.600 36.275 1.00 15.93 O ATOM 749 CB ALA A 106 43.843 31.489 38.797 1.00 21.27 C ATOM 0 H ALA A 106 44.658 33.085 37.159 1.00 24.39 H new ATOM 0 HA ALA A 106 44.783 30.472 37.320 1.00 21.18 H new ATOM 0 HB1 ALA A 106 43.503 30.693 39.235 1.00 21.27 H new ATOM 0 HB2 ALA A 106 44.661 31.774 39.234 1.00 21.27 H new ATOM 0 HB3 ALA A 106 43.183 32.197 38.855 1.00 21.27 H new ATOM 750 N PHE A 107 41.993 31.741 36.381 1.00 17.40 N ATOM 751 CA PHE A 107 40.711 31.525 35.732 1.00 16.98 C ATOM 752 C PHE A 107 40.909 30.873 34.351 1.00 19.31 C ATOM 753 O PHE A 107 40.172 29.946 33.996 1.00 23.60 O ATOM 754 CB PHE A 107 39.958 32.865 35.656 1.00 12.49 C ATOM 755 CG PHE A 107 38.646 32.796 34.938 1.00 14.52 C ATOM 756 CD1 PHE A 107 37.487 32.440 35.617 1.00 14.17 C ATOM 757 CD2 PHE A 107 38.570 33.068 33.564 1.00 10.63 C ATOM 758 CE1 PHE A 107 36.264 32.350 34.930 1.00 17.09 C ATOM 759 CE2 PHE A 107 37.373 32.979 32.880 1.00 8.08 C ATOM 760 CZ PHE A 107 36.216 32.622 33.555 1.00 10.80 C ATOM 0 H PHE A 107 42.148 32.564 36.575 1.00 17.40 H new ATOM 0 HA PHE A 107 40.171 30.908 36.249 1.00 16.98 H new ATOM 0 HB2 PHE A 107 39.805 33.189 36.557 1.00 12.49 H new ATOM 0 HB3 PHE A 107 40.523 33.517 35.213 1.00 12.49 H new ATOM 0 HD1 PHE A 107 37.521 32.261 36.529 1.00 14.17 H new ATOM 0 HD2 PHE A 107 39.341 33.313 33.104 1.00 10.63 H new ATOM 0 HE1 PHE A 107 35.489 32.111 35.386 1.00 17.09 H new ATOM 0 HE2 PHE A 107 37.343 33.158 31.968 1.00 8.08 H new ATOM 0 HZ PHE A 107 35.409 32.563 33.097 1.00 10.80 H new ATOM 761 N GLY A 108 41.921 31.308 33.597 1.00 14.53 N ATOM 762 CA GLY A 108 42.152 30.728 32.281 1.00 12.43 C ATOM 763 C GLY A 108 42.601 29.282 32.373 1.00 13.76 C ATOM 764 O GLY A 108 42.249 28.440 31.537 1.00 14.65 O ATOM 0 H GLY A 108 42.473 31.926 33.826 1.00 14.53 H new ATOM 0 HA2 GLY A 108 41.338 30.781 31.757 1.00 12.43 H new ATOM 0 HA3 GLY A 108 42.825 31.246 31.813 1.00 12.43 H new ATOM 765 N ALA A 109 43.354 28.977 33.421 1.00 11.19 N ATOM 766 CA ALA A 109 43.847 27.634 33.631 1.00 12.08 C ATOM 767 C ALA A 109 42.718 26.711 34.070 1.00 16.39 C ATOM 768 O ALA A 109 42.584 25.585 33.568 1.00 16.52 O ATOM 769 CB ALA A 109 44.946 27.655 34.671 1.00 15.51 C ATOM 0 H ALA A 109 43.590 29.542 34.025 1.00 11.19 H new ATOM 0 HA ALA A 109 44.205 27.295 32.796 1.00 12.08 H new ATOM 0 HB1 ALA A 109 45.276 26.754 34.811 1.00 15.51 H new ATOM 0 HB2 ALA A 109 45.672 28.221 34.364 1.00 15.51 H new ATOM 0 HB3 ALA A 109 44.596 28.004 35.505 1.00 15.51 H new ATOM 770 N ALA A 110 41.902 27.190 35.004 1.00 16.96 N ATOM 771 CA ALA A 110 40.763 26.415 35.521 1.00 17.18 C ATOM 772 C ALA A 110 39.740 26.103 34.428 1.00 16.11 C ATOM 773 O ALA A 110 39.158 25.019 34.398 1.00 18.44 O ATOM 774 CB ALA A 110 40.092 27.153 36.667 1.00 14.19 C ATOM 0 H ALA A 110 41.987 27.969 35.358 1.00 16.96 H new ATOM 0 HA ALA A 110 41.114 25.571 35.846 1.00 17.18 H new ATOM 0 HB1 ALA A 110 39.345 26.629 36.996 1.00 14.19 H new ATOM 0 HB2 ALA A 110 40.732 27.288 37.384 1.00 14.19 H new ATOM 0 HB3 ALA A 110 39.771 28.013 36.354 1.00 14.19 H new ATOM 775 N LEU A 111 39.520 27.057 33.531 1.00 18.00 N ATOM 776 CA LEU A 111 38.586 26.878 32.430 1.00 18.40 C ATOM 777 C LEU A 111 39.003 25.706 31.515 1.00 20.73 C ATOM 778 O LEU A 111 38.165 24.954 31.027 1.00 23.46 O ATOM 779 CB LEU A 111 38.490 28.171 31.637 1.00 14.26 C ATOM 780 CG LEU A 111 37.276 28.202 30.711 1.00 18.71 C ATOM 781 CD1 LEU A 111 35.992 28.137 31.549 1.00 7.06 C ATOM 782 CD2 LEU A 111 37.328 29.453 29.837 1.00 12.40 C ATOM 0 H LEU A 111 39.908 27.825 33.544 1.00 18.00 H new ATOM 0 HA LEU A 111 37.715 26.658 32.797 1.00 18.40 H new ATOM 0 HB2 LEU A 111 38.444 28.921 32.251 1.00 14.26 H new ATOM 0 HB3 LEU A 111 39.297 28.285 31.111 1.00 14.26 H new ATOM 0 HG LEU A 111 37.284 27.432 30.121 1.00 18.71 H new ATOM 0 HD11 LEU A 111 35.221 28.157 30.961 1.00 7.06 H new ATOM 0 HD12 LEU A 111 35.984 27.316 32.066 1.00 7.06 H new ATOM 0 HD13 LEU A 111 35.959 28.897 32.151 1.00 7.06 H new ATOM 0 HD21 LEU A 111 36.556 29.470 29.250 1.00 12.40 H new ATOM 0 HD22 LEU A 111 37.323 30.242 30.401 1.00 12.40 H new ATOM 0 HD23 LEU A 111 38.139 29.442 29.304 1.00 12.40 H new ATOM 783 N GLN A 112 40.304 25.559 31.287 1.00 23.55 N ATOM 784 CA GLN A 112 40.841 24.478 30.464 1.00 22.51 C ATOM 785 C GLN A 112 40.542 23.148 31.136 1.00 20.43 C ATOM 786 O GLN A 112 40.079 22.189 30.502 1.00 20.59 O ATOM 787 CB GLN A 112 42.348 24.650 30.332 1.00 22.88 C ATOM 788 CG GLN A 112 42.750 25.951 29.649 1.00 32.04 C ATOM 789 CD GLN A 112 42.552 25.906 28.137 1.00 37.06 C ATOM 790 OE1 GLN A 112 42.180 24.873 27.584 1.00 42.50 O ATOM 791 NE2 GLN A 112 42.834 27.019 27.459 1.00 39.22 N ATOM 0 H GLN A 112 40.904 26.086 31.607 1.00 23.55 H new ATOM 0 HA GLN A 112 40.433 24.499 29.584 1.00 22.51 H new ATOM 0 HB2 GLN A 112 42.749 24.618 31.215 1.00 22.88 H new ATOM 0 HB3 GLN A 112 42.709 23.903 29.829 1.00 22.88 H new ATOM 0 HG2 GLN A 112 42.228 26.681 30.018 1.00 32.04 H new ATOM 0 HG3 GLN A 112 43.681 26.140 29.844 1.00 32.04 H new ATOM 0 HE21 GLN A 112 43.092 27.724 27.878 1.00 39.22 H new ATOM 0 HE22 GLN A 112 42.758 27.032 26.602 1.00 39.22 H new ATOM 792 N LYS A 113 40.806 23.103 32.434 1.00 18.98 N ATOM 793 CA LYS A 113 40.573 21.913 33.232 1.00 18.34 C ATOM 794 C LYS A 113 39.087 21.541 33.132 1.00 17.71 C ATOM 795 O LYS A 113 38.755 20.375 32.885 1.00 15.75 O ATOM 796 CB LYS A 113 40.983 22.178 34.691 1.00 24.11 C ATOM 797 CG LYS A 113 40.860 20.986 35.642 1.00 33.18 C ATOM 798 CD LYS A 113 41.965 19.952 35.403 1.00 41.52 C ATOM 799 CE LYS A 113 41.829 18.743 36.343 1.00 47.10 C ATOM 800 NZ LYS A 113 42.920 17.720 36.160 1.00 46.89 N ATOM 0 H LYS A 113 41.127 23.766 32.878 1.00 18.98 H new ATOM 0 HA LYS A 113 41.107 21.173 32.903 1.00 18.34 H new ATOM 0 HB2 LYS A 113 41.903 22.484 34.700 1.00 24.11 H new ATOM 0 HB3 LYS A 113 40.439 22.903 35.036 1.00 24.11 H new ATOM 0 HG2 LYS A 113 40.902 21.298 36.559 1.00 33.18 H new ATOM 0 HG3 LYS A 113 39.993 20.566 35.525 1.00 33.18 H new ATOM 0 HD2 LYS A 113 41.932 19.651 34.482 1.00 41.52 H new ATOM 0 HD3 LYS A 113 42.831 20.368 35.535 1.00 41.52 H new ATOM 0 HE2 LYS A 113 41.836 19.053 37.262 1.00 47.10 H new ATOM 0 HE3 LYS A 113 40.969 18.320 36.193 1.00 47.10 H new ATOM 0 HZ1 LYS A 113 42.793 17.045 36.726 1.00 46.89 H new ATOM 0 HZ2 LYS A 113 42.902 17.413 35.325 1.00 46.89 H new ATOM 0 HZ3 LYS A 113 43.710 18.096 36.321 1.00 46.89 H new ATOM 801 N LEU A 114 38.205 22.538 33.266 1.00 12.48 N ATOM 802 CA LEU A 114 36.763 22.309 33.190 1.00 9.61 C ATOM 803 C LEU A 114 36.369 21.769 31.824 1.00 10.78 C ATOM 804 O LEU A 114 35.665 20.764 31.731 1.00 15.03 O ATOM 805 CB LEU A 114 35.979 23.596 33.501 1.00 4.94 C ATOM 806 CG LEU A 114 34.434 23.588 33.493 1.00 6.33 C ATOM 807 CD1 LEU A 114 33.885 22.469 34.390 1.00 6.50 C ATOM 808 CD2 LEU A 114 33.870 24.952 33.944 1.00 2.00 C ATOM 0 H LEU A 114 38.426 23.358 33.402 1.00 12.48 H new ATOM 0 HA LEU A 114 36.537 21.645 33.860 1.00 9.61 H new ATOM 0 HB2 LEU A 114 36.260 23.899 34.379 1.00 4.94 H new ATOM 0 HB3 LEU A 114 36.266 24.268 32.864 1.00 4.94 H new ATOM 0 HG LEU A 114 34.147 23.422 32.581 1.00 6.33 H new ATOM 0 HD11 LEU A 114 32.915 22.484 34.369 1.00 6.50 H new ATOM 0 HD12 LEU A 114 34.202 21.611 34.068 1.00 6.50 H new ATOM 0 HD13 LEU A 114 34.190 22.605 35.301 1.00 6.50 H new ATOM 0 HD21 LEU A 114 32.901 24.922 33.931 1.00 2.00 H new ATOM 0 HD22 LEU A 114 34.175 25.147 34.844 1.00 2.00 H new ATOM 0 HD23 LEU A 114 34.180 25.646 33.341 1.00 2.00 H new ATOM 809 N GLY A 115 36.830 22.430 30.764 1.00 9.54 N ATOM 810 CA GLY A 115 36.516 21.987 29.417 1.00 7.54 C ATOM 811 C GLY A 115 36.961 20.558 29.231 1.00 9.05 C ATOM 812 O GLY A 115 36.289 19.797 28.549 1.00 12.27 O ATOM 0 H GLY A 115 37.323 23.133 30.807 1.00 9.54 H new ATOM 0 HA2 GLY A 115 35.562 22.061 29.258 1.00 7.54 H new ATOM 0 HA3 GLY A 115 36.957 22.559 28.769 1.00 7.54 H new ATOM 813 N GLY A 116 38.087 20.196 29.853 1.00 9.88 N ATOM 814 CA GLY A 116 38.582 18.841 29.776 1.00 8.54 C ATOM 815 C GLY A 116 37.566 17.857 30.332 1.00 14.66 C ATOM 816 O GLY A 116 37.360 16.784 29.738 1.00 18.37 O ATOM 0 H GLY A 116 38.572 20.729 30.323 1.00 9.88 H new ATOM 0 HA2 GLY A 116 38.782 18.618 28.853 1.00 8.54 H new ATOM 0 HA3 GLY A 116 39.413 18.768 30.272 1.00 8.54 H new ATOM 817 N THR A 117 36.875 18.215 31.419 1.00 10.42 N ATOM 818 CA THR A 117 35.892 17.303 31.992 1.00 11.06 C ATOM 819 C THR A 117 34.644 17.131 31.124 1.00 11.21 C ATOM 820 O THR A 117 34.023 16.077 31.132 1.00 14.07 O ATOM 821 CB THR A 117 35.478 17.704 33.410 1.00 9.67 C ATOM 822 OG1 THR A 117 34.759 18.944 33.382 1.00 14.01 O ATOM 823 CG2 THR A 117 36.682 17.835 34.280 1.00 8.40 C ATOM 0 H THR A 117 36.960 18.966 31.829 1.00 10.42 H new ATOM 0 HA THR A 117 36.347 16.447 32.029 1.00 11.06 H new ATOM 0 HB THR A 117 34.902 17.013 33.773 1.00 9.67 H new ATOM 0 HG1 THR A 117 35.119 19.464 32.829 1.00 14.01 H new ATOM 0 HG21 THR A 117 36.408 18.089 35.175 1.00 8.40 H new ATOM 0 HG22 THR A 117 37.151 16.986 34.314 1.00 8.40 H new ATOM 0 HG23 THR A 117 37.271 18.515 33.917 1.00 8.40 H new ATOM 824 N CYS A 118 34.265 18.162 30.380 1.00 14.50 N ATOM 825 CA CYS A 118 33.083 18.062 29.503 1.00 17.01 C ATOM 826 C CYS A 118 33.378 17.000 28.446 1.00 17.72 C ATOM 827 O CYS A 118 32.599 16.063 28.239 1.00 15.59 O ATOM 828 CB CYS A 118 32.790 19.403 28.806 1.00 12.02 C ATOM 829 SG CYS A 118 32.881 20.897 29.865 1.00 16.48 S ATOM 0 H CYS A 118 34.666 18.922 30.361 1.00 14.50 H new ATOM 0 HA CYS A 118 32.306 17.827 30.035 1.00 17.01 H new ATOM 0 HB2 CYS A 118 33.416 19.510 28.073 1.00 12.02 H new ATOM 0 HB3 CYS A 118 31.903 19.358 28.417 1.00 12.02 H new ATOM 830 N LYS A 119 34.547 17.148 27.821 1.00 17.93 N ATOM 831 CA LYS A 119 35.031 16.251 26.785 1.00 17.49 C ATOM 832 C LYS A 119 35.216 14.783 27.252 1.00 18.39 C ATOM 833 O LYS A 119 34.857 13.855 26.533 1.00 15.76 O ATOM 834 CB LYS A 119 36.339 16.799 26.222 1.00 17.31 C ATOM 835 CG LYS A 119 36.710 16.140 24.953 1.00 20.91 C ATOM 836 CD LYS A 119 38.015 16.623 24.425 1.00 23.86 C ATOM 837 CE LYS A 119 38.281 15.936 23.097 1.00 25.73 C ATOM 838 NZ LYS A 119 38.372 14.469 23.282 1.00 24.58 N ATOM 0 H LYS A 119 35.091 17.791 27.996 1.00 17.93 H new ATOM 0 HA LYS A 119 34.346 16.219 26.099 1.00 17.49 H new ATOM 0 HB2 LYS A 119 36.254 17.754 26.077 1.00 17.31 H new ATOM 0 HB3 LYS A 119 37.048 16.673 26.871 1.00 17.31 H new ATOM 0 HG2 LYS A 119 36.754 15.181 25.090 1.00 20.91 H new ATOM 0 HG3 LYS A 119 36.017 16.301 24.293 1.00 20.91 H new ATOM 0 HD2 LYS A 119 37.996 17.586 24.309 1.00 23.86 H new ATOM 0 HD3 LYS A 119 38.727 16.427 25.054 1.00 23.86 H new ATOM 0 HE2 LYS A 119 37.571 16.145 22.470 1.00 25.73 H new ATOM 0 HE3 LYS A 119 39.106 16.271 22.713 1.00 25.73 H new ATOM 0 HZ1 LYS A 119 38.763 14.104 22.571 1.00 24.58 H new ATOM 0 HZ2 LYS A 119 38.853 14.291 24.009 1.00 24.58 H new ATOM 0 HZ3 LYS A 119 37.554 14.130 23.377 1.00 24.58 H new ATOM 839 N ALA A 120 35.737 14.584 28.463 1.00 17.21 N ATOM 840 CA ALA A 120 35.950 13.247 29.020 1.00 15.81 C ATOM 841 C ALA A 120 34.668 12.419 29.100 1.00 17.77 C ATOM 842 O ALA A 120 34.658 11.212 28.845 1.00 17.06 O ATOM 843 CB ALA A 120 36.565 13.363 30.419 1.00 17.57 C ATOM 0 H ALA A 120 35.978 15.223 28.986 1.00 17.21 H new ATOM 0 HA ALA A 120 36.552 12.785 28.416 1.00 15.81 H new ATOM 0 HB1 ALA A 120 36.705 12.476 30.786 1.00 17.57 H new ATOM 0 HB2 ALA A 120 37.415 13.827 30.362 1.00 17.57 H new ATOM 0 HB3 ALA A 120 35.965 13.860 30.996 1.00 17.57 H new ATOM 844 N CYS A 121 33.591 13.062 29.518 1.00 18.12 N ATOM 845 CA CYS A 121 32.334 12.373 29.640 1.00 17.58 C ATOM 846 C CYS A 121 31.692 12.240 28.275 1.00 20.06 C ATOM 847 O CYS A 121 31.270 11.149 27.894 1.00 21.40 O ATOM 848 CB CYS A 121 31.410 13.095 30.610 1.00 16.91 C ATOM 849 SG CYS A 121 29.907 12.160 30.926 1.00 17.80 S ATOM 0 H CYS A 121 33.572 13.894 29.734 1.00 18.12 H new ATOM 0 HA CYS A 121 32.495 11.486 29.998 1.00 17.58 H new ATOM 0 HB2 CYS A 121 31.876 13.249 31.446 1.00 16.91 H new ATOM 0 HB3 CYS A 121 31.179 13.965 30.249 1.00 16.91 H new ATOM 850 N HIS A 122 31.633 13.335 27.526 1.00 20.06 N ATOM 851 CA HIS A 122 31.035 13.274 26.192 1.00 23.77 C ATOM 852 C HIS A 122 31.702 12.201 25.353 1.00 23.38 C ATOM 853 O HIS A 122 31.032 11.437 24.670 1.00 24.69 O ATOM 854 CB HIS A 122 31.148 14.618 25.476 1.00 17.00 C ATOM 855 CG HIS A 122 30.328 15.685 26.109 1.00 15.33 C ATOM 856 ND1 HIS A 122 30.578 17.031 25.979 1.00 17.75 N ATOM 857 CD2 HIS A 122 29.236 15.588 26.902 1.00 12.53 C ATOM 858 CE1 HIS A 122 29.652 17.684 26.678 1.00 15.82 C ATOM 859 NE2 HIS A 122 28.816 16.847 27.255 1.00 15.91 N ATOM 0 H HIS A 122 31.926 14.108 27.762 1.00 20.06 H new ATOM 0 HA HIS A 122 30.097 13.056 26.304 1.00 23.77 H new ATOM 0 HB2 HIS A 122 32.077 14.895 25.465 1.00 17.00 H new ATOM 0 HB3 HIS A 122 30.873 14.511 24.552 1.00 17.00 H new ATOM 0 HD1 HIS A 122 31.218 17.387 25.527 1.00 17.75 H new ATOM 0 HD2 HIS A 122 28.833 14.793 27.167 1.00 12.53 H new ATOM 0 HE1 HIS A 122 29.602 18.610 26.749 1.00 15.82 H new ATOM 860 N ASP A 123 33.019 12.103 25.492 1.00 25.01 N ATOM 861 CA ASP A 123 33.800 11.145 24.740 1.00 25.82 C ATOM 862 C ASP A 123 33.273 9.730 24.876 1.00 26.42 C ATOM 863 O ASP A 123 33.087 9.049 23.870 1.00 28.78 O ATOM 864 CB ASP A 123 35.275 11.232 25.129 1.00 23.78 C ATOM 865 CG ASP A 123 36.038 12.284 24.318 1.00 25.36 C ATOM 866 OD1 ASP A 123 35.421 13.044 23.540 1.00 25.60 O ATOM 867 OD2 ASP A 123 37.273 12.337 24.448 1.00 30.01 O ATOM 0 H ASP A 123 33.481 12.593 26.027 1.00 25.01 H new ATOM 0 HA ASP A 123 33.715 11.378 23.802 1.00 25.82 H new ATOM 0 HB2 ASP A 123 35.345 11.443 26.073 1.00 23.78 H new ATOM 0 HB3 ASP A 123 35.691 10.365 25.001 1.00 23.78 H new ATOM 868 N ASP A 124 32.946 9.320 26.098 1.00 23.09 N ATOM 869 CA ASP A 124 32.446 7.970 26.318 1.00 18.51 C ATOM 870 C ASP A 124 30.948 7.804 26.338 1.00 21.29 C ATOM 871 O ASP A 124 30.471 6.706 26.074 1.00 21.26 O ATOM 872 CB ASP A 124 32.951 7.417 27.643 1.00 20.66 C ATOM 873 CG ASP A 124 34.442 7.287 27.697 1.00 21.52 C ATOM 874 OD1 ASP A 124 35.087 7.270 26.628 1.00 26.08 O ATOM 875 OD2 ASP A 124 34.969 7.184 28.825 1.00 23.72 O ATOM 0 H ASP A 124 33.006 9.804 26.806 1.00 23.09 H new ATOM 0 HA ASP A 124 32.782 7.491 25.544 1.00 18.51 H new ATOM 0 HB2 ASP A 124 32.656 7.997 28.362 1.00 20.66 H new ATOM 0 HB3 ASP A 124 32.550 6.547 27.798 1.00 20.66 H new ATOM 876 N TYR A 125 30.200 8.867 26.654 1.00 21.96 N ATOM 877 CA TYR A 125 28.746 8.738 26.798 1.00 20.89 C ATOM 878 C TYR A 125 27.714 9.537 25.989 1.00 21.03 C ATOM 879 O TYR A 125 26.519 9.333 26.168 1.00 21.05 O ATOM 880 CB TYR A 125 28.407 8.817 28.283 1.00 20.97 C ATOM 881 CG TYR A 125 29.305 7.955 29.156 1.00 21.54 C ATOM 882 CD1 TYR A 125 29.162 6.574 29.181 1.00 23.84 C ATOM 883 CD2 TYR A 125 30.269 8.528 29.984 1.00 20.67 C ATOM 884 CE1 TYR A 125 29.940 5.793 30.012 1.00 22.30 C ATOM 885 CE2 TYR A 125 31.049 7.754 30.814 1.00 17.84 C ATOM 886 CZ TYR A 125 30.875 6.390 30.824 1.00 20.32 C ATOM 887 OH TYR A 125 31.612 5.612 31.678 1.00 25.93 O ATOM 0 H TYR A 125 30.509 9.658 26.787 1.00 21.96 H new ATOM 0 HA TYR A 125 28.621 7.887 26.349 1.00 20.89 H new ATOM 0 HB2 TYR A 125 28.474 9.740 28.574 1.00 20.97 H new ATOM 0 HB3 TYR A 125 27.485 8.545 28.412 1.00 20.97 H new ATOM 0 HD1 TYR A 125 28.532 6.169 28.629 1.00 23.84 H new ATOM 0 HD2 TYR A 125 30.388 9.450 29.976 1.00 20.67 H new ATOM 0 HE1 TYR A 125 29.832 4.869 30.022 1.00 22.30 H new ATOM 0 HE2 TYR A 125 31.687 8.150 31.362 1.00 17.84 H new ATOM 0 HH TYR A 125 32.291 6.037 31.929 1.00 25.93 H new ATOM 888 N ARG A 126 28.141 10.434 25.115 1.00 21.06 N ATOM 889 CA ARG A 126 27.195 11.190 24.314 1.00 24.75 C ATOM 890 C ARG A 126 27.397 10.685 22.881 1.00 31.10 C ATOM 891 O ARG A 126 28.489 10.234 22.551 1.00 32.25 O ATOM 892 CB ARG A 126 27.505 12.684 24.419 1.00 23.10 C ATOM 893 CG ARG A 126 26.347 13.600 24.081 1.00 21.99 C ATOM 894 CD ARG A 126 26.819 14.747 23.223 1.00 22.52 C ATOM 895 NE ARG A 126 27.122 15.962 23.963 1.00 25.83 N ATOM 896 CZ ARG A 126 28.061 16.840 23.602 1.00 28.76 C ATOM 897 NH1 ARG A 126 28.823 16.622 22.534 1.00 21.36 N ATOM 898 NH2 ARG A 126 28.108 18.030 24.184 1.00 24.22 N ATOM 0 H ARG A 126 28.968 10.619 24.971 1.00 21.06 H new ATOM 0 HA ARG A 126 26.278 11.072 24.607 1.00 24.75 H new ATOM 0 HB2 ARG A 126 27.800 12.877 25.323 1.00 23.10 H new ATOM 0 HB3 ARG A 126 28.246 12.890 23.828 1.00 23.10 H new ATOM 0 HG2 ARG A 126 25.658 13.102 23.615 1.00 21.99 H new ATOM 0 HG3 ARG A 126 25.948 13.941 24.897 1.00 21.99 H new ATOM 0 HD2 ARG A 126 27.612 14.470 22.738 1.00 22.52 H new ATOM 0 HD3 ARG A 126 26.137 14.945 22.562 1.00 22.52 H new ATOM 0 HE ARG A 126 26.669 16.125 24.676 1.00 25.83 H new ATOM 0 HH11 ARG A 126 28.714 15.908 22.066 1.00 21.36 H new ATOM 0 HH12 ARG A 126 29.425 17.195 22.311 1.00 21.36 H new ATOM 0 HH21 ARG A 126 27.535 18.234 24.792 1.00 24.22 H new ATOM 0 HH22 ARG A 126 28.712 18.598 23.954 1.00 24.22 H new ATOM 899 N GLU A 127 26.348 10.676 22.058 1.00 37.22 N ATOM 900 CA GLU A 127 26.474 10.203 20.676 1.00 43.96 C ATOM 901 C GLU A 127 26.695 11.359 19.721 1.00 49.54 C ATOM 902 O GLU A 127 26.053 12.394 19.841 1.00 51.00 O ATOM 903 CB GLU A 127 25.228 9.414 20.222 1.00 42.61 C ATOM 904 CG GLU A 127 25.485 7.933 19.786 1.00 47.59 C ATOM 905 CD GLU A 127 26.173 7.736 18.394 1.00 49.81 C ATOM 906 OE1 GLU A 127 27.149 8.442 18.053 1.00 51.01 O ATOM 907 OE2 GLU A 127 25.756 6.826 17.642 1.00 50.61 O ATOM 0 H GLU A 127 25.559 10.938 22.277 1.00 37.22 H new ATOM 0 HA GLU A 127 27.243 9.612 20.657 1.00 43.96 H new ATOM 0 HB2 GLU A 127 24.584 9.413 20.947 1.00 42.61 H new ATOM 0 HB3 GLU A 127 24.819 9.886 19.480 1.00 42.61 H new ATOM 0 HG2 GLU A 127 26.035 7.507 20.462 1.00 47.59 H new ATOM 0 HG3 GLU A 127 24.635 7.466 19.776 1.00 47.59 H new ATOM 908 N GLU A 128 27.616 11.178 18.780 1.00 57.03 N ATOM 909 CA GLU A 128 27.898 12.196 17.771 1.00 63.59 C ATOM 910 C GLU A 128 26.656 12.297 16.904 1.00 67.83 C ATOM 911 O GLU A 128 26.086 13.379 16.736 1.00 68.62 O ATOM 912 CB GLU A 128 29.089 11.797 16.890 1.00 66.41 C ATOM 913 CG GLU A 128 29.486 10.328 16.945 1.00 69.91 C ATOM 914 CD GLU A 128 30.420 10.024 18.113 1.00 74.32 C ATOM 915 OE1 GLU A 128 31.645 10.252 17.967 1.00 75.32 O ATOM 916 OE2 GLU A 128 29.936 9.563 19.175 1.00 74.37 O ATOM 0 H GLU A 128 28.093 10.466 18.708 1.00 57.03 H new ATOM 0 HA GLU A 128 28.120 13.037 18.200 1.00 63.59 H new ATOM 0 HB2 GLU A 128 28.881 12.025 15.970 1.00 66.41 H new ATOM 0 HB3 GLU A 128 29.855 12.332 17.148 1.00 66.41 H new ATOM 0 HG2 GLU A 128 28.688 9.782 17.021 1.00 69.91 H new ATOM 0 HG3 GLU A 128 29.920 10.081 16.114 1.00 69.91 H new ATOM 917 N ASP A 129 26.248 11.146 16.372 1.00 71.75 N ATOM 918 CA ASP A 129 25.071 11.019 15.517 1.00 74.31 C ATOM 919 C ASP A 129 24.801 9.542 15.231 1.00 74.38 C ATOM 920 O ASP A 129 25.745 8.724 15.335 1.00 73.94 O ATOM 921 CB ASP A 129 25.267 11.783 14.199 1.00 79.15 C ATOM 922 CG ASP A 129 26.452 11.270 13.381 1.00 82.32 C ATOM 923 OD1 ASP A 129 27.531 10.987 13.963 1.00 81.12 O ATOM 924 OD2 ASP A 129 26.297 11.165 12.142 1.00 84.12 O ATOM 925 OXT ASP A 129 23.643 9.219 14.912 1.00 76.20 O ATOM 0 H ASP A 129 26.658 10.401 16.502 1.00 71.75 H new ATOM 0 HA ASP A 129 24.310 11.403 15.979 1.00 74.31 H new ATOM 0 HB2 ASP A 129 24.459 11.713 13.667 1.00 79.15 H new ATOM 0 HB3 ASP A 129 25.398 12.724 14.393 1.00 79.15 H new TER 926 ASP A 129 ATOM 927 N ALA B 1 38.505 61.194 35.789 1.00 79.76 N ATOM 928 CA ALA B 1 39.310 59.957 35.592 1.00 79.66 C ATOM 929 C ALA B 1 39.857 59.996 34.173 1.00 78.60 C ATOM 930 O ALA B 1 39.612 60.963 33.451 1.00 78.80 O ATOM 931 CB ALA B 1 38.438 58.717 35.795 1.00 79.30 C ATOM 0 H1 ALA B 1 38.849 61.669 36.459 1.00 79.76 H new ATOM 0 H2 ALA B 1 38.519 61.680 35.043 1.00 79.76 H new ATOM 0 H3 ALA B 1 37.665 60.974 35.983 1.00 79.76 H new ATOM 0 HA ALA B 1 40.034 59.913 36.236 1.00 79.66 H new ATOM 0 HB1 ALA B 1 38.974 57.919 35.664 1.00 79.30 H new ATOM 0 HB2 ALA B 1 38.077 58.719 36.695 1.00 79.30 H new ATOM 0 HB3 ALA B 1 37.709 58.725 35.155 1.00 79.30 H new ATOM 932 N ASP B 2 40.613 58.968 33.795 1.00 77.25 N ATOM 933 CA ASP B 2 41.192 58.875 32.455 1.00 75.06 C ATOM 934 C ASP B 2 40.113 58.662 31.382 1.00 72.02 C ATOM 935 O ASP B 2 38.998 59.182 31.491 1.00 73.13 O ATOM 936 CB ASP B 2 42.238 57.747 32.402 1.00 76.59 C ATOM 937 CG ASP B 2 41.712 56.424 32.942 1.00 77.58 C ATOM 938 OD1 ASP B 2 40.625 55.979 32.509 1.00 78.62 O ATOM 939 OD2 ASP B 2 42.393 55.826 33.801 1.00 77.46 O ATOM 0 H ASP B 2 40.805 58.305 34.307 1.00 77.25 H new ATOM 0 HA ASP B 2 41.629 59.719 32.263 1.00 75.06 H new ATOM 0 HB2 ASP B 2 42.528 57.624 31.485 1.00 76.59 H new ATOM 0 HB3 ASP B 2 43.019 58.012 32.913 1.00 76.59 H new ATOM 940 N THR B 3 40.422 57.868 30.366 1.00 65.49 N ATOM 941 CA THR B 3 39.443 57.643 29.331 1.00 61.33 C ATOM 942 C THR B 3 39.327 56.163 28.914 1.00 59.02 C ATOM 943 O THR B 3 38.297 55.544 29.166 1.00 59.65 O ATOM 944 CB THR B 3 39.666 58.647 28.149 1.00 59.82 C ATOM 945 OG1 THR B 3 38.600 58.546 27.201 1.00 59.94 O ATOM 946 CG2 THR B 3 40.996 58.403 27.451 1.00 63.77 C ATOM 0 H THR B 3 41.173 57.462 30.263 1.00 65.49 H new ATOM 0 HA THR B 3 38.564 57.835 29.693 1.00 61.33 H new ATOM 0 HB THR B 3 39.680 59.541 28.525 1.00 59.82 H new ATOM 0 HG1 THR B 3 38.887 58.199 26.492 1.00 59.94 H new ATOM 0 HG21 THR B 3 41.103 59.039 26.727 1.00 63.77 H new ATOM 0 HG22 THR B 3 41.720 58.513 28.087 1.00 63.77 H new ATOM 0 HG23 THR B 3 41.014 57.501 27.094 1.00 63.77 H new ATOM 947 N LYS B 4 40.399 55.563 28.399 1.00 56.68 N ATOM 948 CA LYS B 4 40.375 54.159 27.961 1.00 54.78 C ATOM 949 C LYS B 4 39.966 53.174 29.045 1.00 50.41 C ATOM 950 O LYS B 4 39.244 52.220 28.778 1.00 49.02 O ATOM 951 CB LYS B 4 41.738 53.746 27.397 1.00 59.25 C ATOM 952 CG LYS B 4 41.831 52.285 26.940 1.00 65.47 C ATOM 953 CD LYS B 4 43.205 51.971 26.332 1.00 72.18 C ATOM 954 CE LYS B 4 43.322 50.511 25.861 1.00 75.27 C ATOM 955 NZ LYS B 4 44.675 50.174 25.292 1.00 74.51 N ATOM 0 H LYS B 4 41.158 55.952 28.292 1.00 56.68 H new ATOM 0 HA LYS B 4 39.692 54.119 27.273 1.00 54.78 H new ATOM 0 HB2 LYS B 4 41.950 54.321 26.645 1.00 59.25 H new ATOM 0 HB3 LYS B 4 42.415 53.903 28.074 1.00 59.25 H new ATOM 0 HG2 LYS B 4 41.668 51.698 27.695 1.00 65.47 H new ATOM 0 HG3 LYS B 4 41.138 52.105 26.286 1.00 65.47 H new ATOM 0 HD2 LYS B 4 43.366 52.564 25.581 1.00 72.18 H new ATOM 0 HD3 LYS B 4 43.895 52.152 26.989 1.00 72.18 H new ATOM 0 HE2 LYS B 4 43.137 49.921 26.608 1.00 75.27 H new ATOM 0 HE3 LYS B 4 42.644 50.339 25.189 1.00 75.27 H new ATOM 0 HZ1 LYS B 4 44.686 49.321 25.037 1.00 74.51 H new ATOM 0 HZ2 LYS B 4 44.840 50.696 24.590 1.00 74.51 H new ATOM 0 HZ3 LYS B 4 45.299 50.306 25.912 1.00 74.51 H new ATOM 956 N GLU B 5 40.438 53.409 30.261 1.00 46.66 N ATOM 957 CA GLU B 5 40.129 52.541 31.383 1.00 44.40 C ATOM 958 C GLU B 5 38.653 52.605 31.787 1.00 41.52 C ATOM 959 O GLU B 5 38.055 51.567 32.080 1.00 41.03 O ATOM 960 CB GLU B 5 41.047 52.867 32.569 1.00 48.90 C ATOM 961 CG GLU B 5 41.024 51.850 33.710 1.00 54.03 C ATOM 962 CD GLU B 5 42.039 52.163 34.802 1.00 56.54 C ATOM 963 OE1 GLU B 5 41.739 52.999 35.691 1.00 57.98 O ATOM 964 OE2 GLU B 5 43.138 51.564 34.765 1.00 56.80 O ATOM 0 H GLU B 5 40.945 54.075 30.458 1.00 46.66 H new ATOM 0 HA GLU B 5 40.293 51.628 31.100 1.00 44.40 H new ATOM 0 HB2 GLU B 5 41.957 52.945 32.243 1.00 48.90 H new ATOM 0 HB3 GLU B 5 40.797 53.735 32.923 1.00 48.90 H new ATOM 0 HG2 GLU B 5 40.135 51.826 34.098 1.00 54.03 H new ATOM 0 HG3 GLU B 5 41.202 50.966 33.353 1.00 54.03 H new ATOM 965 N VAL B 6 38.063 53.804 31.810 1.00 38.70 N ATOM 966 CA VAL B 6 36.647 53.928 32.165 1.00 34.52 C ATOM 967 C VAL B 6 35.828 53.404 30.999 1.00 32.00 C ATOM 968 O VAL B 6 34.852 52.671 31.183 1.00 33.31 O ATOM 969 CB VAL B 6 36.202 55.390 32.495 1.00 36.07 C ATOM 970 CG1 VAL B 6 37.019 55.950 33.636 1.00 39.47 C ATOM 971 CG2 VAL B 6 36.311 56.286 31.282 1.00 39.02 C ATOM 0 H VAL B 6 38.458 54.546 31.627 1.00 38.70 H new ATOM 0 HA VAL B 6 36.503 53.415 32.976 1.00 34.52 H new ATOM 0 HB VAL B 6 35.270 55.361 32.763 1.00 36.07 H new ATOM 0 HG11 VAL B 6 36.730 56.856 33.827 1.00 39.47 H new ATOM 0 HG12 VAL B 6 36.895 55.399 34.424 1.00 39.47 H new ATOM 0 HG13 VAL B 6 37.957 55.955 33.390 1.00 39.47 H new ATOM 0 HG21 VAL B 6 36.029 57.184 31.516 1.00 39.02 H new ATOM 0 HG22 VAL B 6 37.231 56.306 30.976 1.00 39.02 H new ATOM 0 HG23 VAL B 6 35.743 55.944 30.574 1.00 39.02 H new ATOM 972 N LEU B 7 36.291 53.715 29.794 1.00 28.66 N ATOM 973 CA LEU B 7 35.625 53.294 28.578 1.00 27.80 C ATOM 974 C LEU B 7 35.597 51.768 28.495 1.00 28.85 C ATOM 975 O LEU B 7 34.606 51.186 28.056 1.00 28.77 O ATOM 976 CB LEU B 7 36.317 53.930 27.366 1.00 23.64 C ATOM 977 CG LEU B 7 35.493 54.944 26.564 1.00 23.91 C ATOM 978 CD1 LEU B 7 34.673 55.861 27.458 1.00 21.96 C ATOM 979 CD2 LEU B 7 36.406 55.754 25.657 1.00 26.83 C ATOM 0 H LEU B 7 37.004 54.178 29.662 1.00 28.66 H new ATOM 0 HA LEU B 7 34.703 53.597 28.583 1.00 27.80 H new ATOM 0 HB2 LEU B 7 37.125 54.370 27.674 1.00 23.64 H new ATOM 0 HB3 LEU B 7 36.592 53.219 26.766 1.00 23.64 H new ATOM 0 HG LEU B 7 34.862 54.444 26.022 1.00 23.91 H new ATOM 0 HD11 LEU B 7 34.170 56.483 26.909 1.00 21.96 H new ATOM 0 HD12 LEU B 7 34.059 55.331 27.990 1.00 21.96 H new ATOM 0 HD13 LEU B 7 35.266 56.355 28.046 1.00 21.96 H new ATOM 0 HD21 LEU B 7 35.878 56.393 25.153 1.00 26.83 H new ATOM 0 HD22 LEU B 7 37.059 56.228 26.195 1.00 26.83 H new ATOM 0 HD23 LEU B 7 36.864 55.159 25.043 1.00 26.83 H new ATOM 980 N GLU B 8 36.659 51.126 28.977 1.00 30.65 N ATOM 981 CA GLU B 8 36.751 49.664 28.978 1.00 33.28 C ATOM 982 C GLU B 8 35.749 49.082 29.974 1.00 30.93 C ATOM 983 O GLU B 8 35.088 48.083 29.698 1.00 30.62 O ATOM 984 CB GLU B 8 38.175 49.202 29.359 1.00 39.31 C ATOM 985 CG GLU B 8 39.174 49.078 28.183 1.00 48.49 C ATOM 986 CD GLU B 8 40.646 48.878 28.617 1.00 55.23 C ATOM 987 OE1 GLU B 8 40.969 49.040 29.819 1.00 57.01 O ATOM 988 OE2 GLU B 8 41.493 48.568 27.744 1.00 55.34 O ATOM 0 H GLU B 8 37.345 51.522 29.312 1.00 30.65 H new ATOM 0 HA GLU B 8 36.549 49.347 28.084 1.00 33.28 H new ATOM 0 HB2 GLU B 8 38.538 49.826 30.006 1.00 39.31 H new ATOM 0 HB3 GLU B 8 38.111 48.341 29.801 1.00 39.31 H new ATOM 0 HG2 GLU B 8 38.908 48.331 27.624 1.00 48.49 H new ATOM 0 HG3 GLU B 8 39.115 49.877 27.636 1.00 48.49 H new ATOM 989 N ALA B 9 35.631 49.729 31.126 1.00 29.24 N ATOM 990 CA ALA B 9 34.742 49.278 32.182 1.00 27.07 C ATOM 991 C ALA B 9 33.264 49.368 31.836 1.00 29.79 C ATOM 992 O ALA B 9 32.500 48.446 32.165 1.00 29.79 O ATOM 993 CB ALA B 9 35.020 50.030 33.452 1.00 22.51 C ATOM 0 H ALA B 9 36.067 50.445 31.316 1.00 29.24 H new ATOM 0 HA ALA B 9 34.931 48.334 32.300 1.00 27.07 H new ATOM 0 HB1 ALA B 9 34.421 49.721 34.149 1.00 22.51 H new ATOM 0 HB2 ALA B 9 35.938 49.877 33.724 1.00 22.51 H new ATOM 0 HB3 ALA B 9 34.880 50.978 33.304 1.00 22.51 H new ATOM 994 N ARG B 10 32.827 50.459 31.210 1.00 27.33 N ATOM 995 CA ARG B 10 31.413 50.517 30.887 1.00 28.16 C ATOM 996 C ARG B 10 31.064 49.661 29.687 1.00 27.38 C ATOM 997 O ARG B 10 29.920 49.248 29.524 1.00 25.83 O ATOM 998 CB ARG B 10 30.867 51.945 30.797 1.00 30.57 C ATOM 999 CG ARG B 10 31.325 52.799 29.666 1.00 29.14 C ATOM 1000 CD ARG B 10 30.980 54.252 30.008 1.00 27.15 C ATOM 1001 NE ARG B 10 31.086 55.117 28.840 1.00 25.23 N ATOM 1002 CZ ARG B 10 31.411 56.404 28.870 1.00 22.51 C ATOM 1003 NH1 ARG B 10 31.693 57.012 30.026 1.00 10.93 N ATOM 1004 NH2 ARG B 10 31.473 57.073 27.724 1.00 17.34 N ATOM 0 H ARG B 10 33.303 51.137 30.977 1.00 27.33 H new ATOM 0 HA ARG B 10 30.948 50.124 31.642 1.00 28.16 H new ATOM 0 HB2 ARG B 10 29.899 51.891 30.756 1.00 30.57 H new ATOM 0 HB3 ARG B 10 31.091 52.401 31.623 1.00 30.57 H new ATOM 0 HG2 ARG B 10 32.280 52.699 29.530 1.00 29.14 H new ATOM 0 HG3 ARG B 10 30.891 52.532 28.841 1.00 29.14 H new ATOM 0 HD2 ARG B 10 30.079 54.296 30.364 1.00 27.15 H new ATOM 0 HD3 ARG B 10 31.576 54.572 30.704 1.00 27.15 H new ATOM 0 HE ARG B 10 30.926 54.766 28.071 1.00 25.23 H new ATOM 0 HH11 ARG B 10 31.665 56.569 30.763 1.00 10.93 H new ATOM 0 HH12 ARG B 10 31.902 57.846 30.033 1.00 10.93 H new ATOM 0 HH21 ARG B 10 31.304 56.672 26.982 1.00 17.34 H new ATOM 0 HH22 ARG B 10 31.682 57.907 27.724 1.00 17.34 H new ATOM 1005 N GLU B 11 32.066 49.324 28.887 1.00 27.38 N ATOM 1006 CA GLU B 11 31.831 48.455 27.748 1.00 26.04 C ATOM 1007 C GLU B 11 31.602 47.051 28.289 1.00 24.99 C ATOM 1008 O GLU B 11 30.656 46.377 27.877 1.00 22.91 O ATOM 1009 CB GLU B 11 33.011 48.471 26.781 1.00 28.95 C ATOM 1010 CG GLU B 11 32.820 47.572 25.561 1.00 37.21 C ATOM 1011 CD GLU B 11 33.789 47.910 24.426 1.00 44.61 C ATOM 1012 OE1 GLU B 11 34.999 48.103 24.689 1.00 46.82 O ATOM 1013 OE2 GLU B 11 33.336 47.987 23.263 1.00 46.24 O ATOM 0 H GLU B 11 32.880 49.585 28.985 1.00 27.38 H new ATOM 0 HA GLU B 11 31.058 48.764 27.250 1.00 26.04 H new ATOM 0 HB2 GLU B 11 33.160 49.381 26.481 1.00 28.95 H new ATOM 0 HB3 GLU B 11 33.811 48.193 27.255 1.00 28.95 H new ATOM 0 HG2 GLU B 11 32.944 46.646 25.823 1.00 37.21 H new ATOM 0 HG3 GLU B 11 31.909 47.657 25.240 1.00 37.21 H new ATOM 1014 N ALA B 12 32.440 46.630 29.239 1.00 20.26 N ATOM 1015 CA ALA B 12 32.301 45.307 29.837 1.00 19.79 C ATOM 1016 C ALA B 12 30.992 45.272 30.599 1.00 21.77 C ATOM 1017 O ALA B 12 30.361 44.226 30.715 1.00 23.83 O ATOM 1018 CB ALA B 12 33.452 44.999 30.749 1.00 20.39 C ATOM 0 H ALA B 12 33.093 47.096 29.548 1.00 20.26 H new ATOM 0 HA ALA B 12 32.303 44.632 29.140 1.00 19.79 H new ATOM 0 HB1 ALA B 12 33.334 44.116 31.132 1.00 20.39 H new ATOM 0 HB2 ALA B 12 34.280 45.025 30.245 1.00 20.39 H new ATOM 0 HB3 ALA B 12 33.487 45.657 31.460 1.00 20.39 H new ATOM 1019 N TYR B 13 30.577 46.429 31.104 1.00 20.64 N ATOM 1020 CA TYR B 13 29.311 46.525 31.806 1.00 18.28 C ATOM 1021 C TYR B 13 28.142 46.330 30.817 1.00 18.66 C ATOM 1022 O TYR B 13 27.430 45.325 30.898 1.00 18.24 O ATOM 1023 CB TYR B 13 29.199 47.866 32.529 1.00 18.77 C ATOM 1024 CG TYR B 13 28.052 47.955 33.504 1.00 19.93 C ATOM 1025 CD1 TYR B 13 27.170 46.901 33.670 1.00 24.86 C ATOM 1026 CD2 TYR B 13 27.834 49.105 34.233 1.00 24.06 C ATOM 1027 CE1 TYR B 13 26.103 46.988 34.522 1.00 23.04 C ATOM 1028 CE2 TYR B 13 26.765 49.203 35.097 1.00 27.34 C ATOM 1029 CZ TYR B 13 25.899 48.138 35.232 1.00 23.86 C ATOM 1030 OH TYR B 13 24.813 48.229 36.062 1.00 20.43 O ATOM 0 H TYR B 13 31.015 47.167 31.049 1.00 20.64 H new ATOM 0 HA TYR B 13 29.268 45.823 32.474 1.00 18.28 H new ATOM 0 HB2 TYR B 13 30.027 48.034 33.005 1.00 18.77 H new ATOM 0 HB3 TYR B 13 29.103 48.570 31.869 1.00 18.77 H new ATOM 0 HD1 TYR B 13 27.306 46.115 33.191 1.00 24.86 H new ATOM 0 HD2 TYR B 13 28.416 49.824 34.140 1.00 24.06 H new ATOM 0 HE1 TYR B 13 25.520 46.269 34.617 1.00 23.04 H new ATOM 0 HE2 TYR B 13 26.628 49.982 35.586 1.00 27.34 H new ATOM 0 HH TYR B 13 24.808 48.982 36.435 1.00 20.43 H new ATOM 1031 N PHE B 14 27.987 47.224 29.846 1.00 16.38 N ATOM 1032 CA PHE B 14 26.886 47.089 28.902 1.00 19.06 C ATOM 1033 C PHE B 14 26.847 45.800 28.104 1.00 20.96 C ATOM 1034 O PHE B 14 25.750 45.321 27.780 1.00 24.08 O ATOM 1035 CB PHE B 14 26.696 48.335 28.011 1.00 23.65 C ATOM 1036 CG PHE B 14 27.746 48.527 26.939 1.00 28.75 C ATOM 1037 CD1 PHE B 14 27.928 47.581 25.927 1.00 28.58 C ATOM 1038 CD2 PHE B 14 28.517 49.687 26.918 1.00 29.73 C ATOM 1039 CE1 PHE B 14 28.853 47.788 24.917 1.00 27.40 C ATOM 1040 CE2 PHE B 14 29.438 49.905 25.921 1.00 31.12 C ATOM 1041 CZ PHE B 14 29.609 48.948 24.910 1.00 32.62 C ATOM 0 H PHE B 14 28.498 47.904 29.718 1.00 16.38 H new ATOM 0 HA PHE B 14 26.112 47.025 29.483 1.00 19.06 H new ATOM 0 HB2 PHE B 14 25.826 48.281 27.585 1.00 23.65 H new ATOM 0 HB3 PHE B 14 26.686 49.122 28.578 1.00 23.65 H new ATOM 0 HD1 PHE B 14 27.421 46.801 25.932 1.00 28.58 H new ATOM 0 HD2 PHE B 14 28.407 50.323 27.588 1.00 29.73 H new ATOM 0 HE1 PHE B 14 28.966 47.152 24.248 1.00 27.40 H new ATOM 0 HE2 PHE B 14 29.946 50.684 25.917 1.00 31.12 H new ATOM 0 HZ PHE B 14 30.231 49.093 24.234 1.00 32.62 H new ATOM 1042 N LYS B 15 28.014 45.218 27.819 1.00 18.30 N ATOM 1043 CA LYS B 15 28.085 43.943 27.080 1.00 18.88 C ATOM 1044 C LYS B 15 27.543 42.832 27.968 1.00 18.65 C ATOM 1045 O LYS B 15 26.950 41.878 27.475 1.00 21.34 O ATOM 1046 CB LYS B 15 29.523 43.578 26.668 1.00 20.45 C ATOM 1047 CG LYS B 15 30.101 44.389 25.512 1.00 25.16 C ATOM 1048 CD LYS B 15 31.510 43.947 25.134 1.00 32.28 C ATOM 1049 CE LYS B 15 31.584 42.514 24.533 1.00 41.00 C ATOM 1050 NZ LYS B 15 31.605 41.349 25.503 1.00 37.72 N ATOM 0 H LYS B 15 28.779 45.542 28.043 1.00 18.30 H new ATOM 0 HA LYS B 15 27.560 44.045 26.271 1.00 18.88 H new ATOM 0 HB2 LYS B 15 30.101 43.686 27.439 1.00 20.45 H new ATOM 0 HB3 LYS B 15 29.545 42.639 26.427 1.00 20.45 H new ATOM 0 HG2 LYS B 15 29.521 44.304 24.739 1.00 25.16 H new ATOM 0 HG3 LYS B 15 30.114 45.328 25.755 1.00 25.16 H new ATOM 0 HD2 LYS B 15 31.875 44.576 24.492 1.00 32.28 H new ATOM 0 HD3 LYS B 15 32.074 43.987 25.922 1.00 32.28 H new ATOM 0 HE2 LYS B 15 30.824 42.398 23.942 1.00 41.00 H new ATOM 0 HE3 LYS B 15 32.382 42.461 23.984 1.00 41.00 H new ATOM 0 HZ1 LYS B 15 32.199 40.745 25.229 1.00 37.72 H new ATOM 0 HZ2 LYS B 15 31.831 41.641 26.313 1.00 37.72 H new ATOM 0 HZ3 LYS B 15 30.798 40.976 25.537 1.00 37.72 H new ATOM 1051 N SER B 16 27.750 42.964 29.277 1.00 18.58 N ATOM 1052 CA SER B 16 27.271 41.983 30.239 1.00 18.93 C ATOM 1053 C SER B 16 25.756 42.012 30.303 1.00 17.88 C ATOM 1054 O SER B 16 25.116 40.964 30.277 1.00 18.99 O ATOM 1055 CB SER B 16 27.832 42.264 31.625 1.00 21.21 C ATOM 1056 OG SER B 16 29.063 41.596 31.809 1.00 30.08 O ATOM 0 H SER B 16 28.172 43.625 29.629 1.00 18.58 H new ATOM 0 HA SER B 16 27.571 41.108 29.948 1.00 18.93 H new ATOM 0 HB2 SER B 16 27.956 43.219 31.741 1.00 21.21 H new ATOM 0 HB3 SER B 16 27.198 41.976 32.300 1.00 21.21 H new ATOM 0 HG SER B 16 29.694 42.105 31.588 1.00 30.08 H new ATOM 1057 N LEU B 17 25.191 43.213 30.403 1.00 16.35 N ATOM 1058 CA LEU B 17 23.742 43.395 30.460 1.00 16.11 C ATOM 1059 C LEU B 17 23.093 42.928 29.175 1.00 12.49 C ATOM 1060 O LEU B 17 22.091 42.236 29.218 1.00 16.45 O ATOM 1061 CB LEU B 17 23.367 44.866 30.657 1.00 15.84 C ATOM 1062 CG LEU B 17 23.433 45.525 32.025 1.00 14.06 C ATOM 1063 CD1 LEU B 17 23.073 46.991 31.861 1.00 7.69 C ATOM 1064 CD2 LEU B 17 22.513 44.832 33.014 1.00 11.58 C ATOM 0 H LEU B 17 25.638 43.947 30.440 1.00 16.35 H new ATOM 0 HA LEU B 17 23.427 42.871 31.213 1.00 16.11 H new ATOM 0 HB2 LEU B 17 23.936 45.384 30.067 1.00 15.84 H new ATOM 0 HB3 LEU B 17 22.457 44.970 30.337 1.00 15.84 H new ATOM 0 HG LEU B 17 24.330 45.449 32.386 1.00 14.06 H new ATOM 0 HD11 LEU B 17 23.109 47.432 32.724 1.00 7.69 H new ATOM 0 HD12 LEU B 17 23.703 47.413 31.256 1.00 7.69 H new ATOM 0 HD13 LEU B 17 22.177 47.066 31.497 1.00 7.69 H new ATOM 0 HD21 LEU B 17 22.575 45.272 33.876 1.00 11.58 H new ATOM 0 HD22 LEU B 17 21.599 44.878 32.693 1.00 11.58 H new ATOM 0 HD23 LEU B 17 22.777 43.903 33.106 1.00 11.58 H new ATOM 1065 N GLY B 18 23.650 43.317 28.037 1.00 10.15 N ATOM 1066 CA GLY B 18 23.070 42.914 26.771 1.00 9.43 C ATOM 1067 C GLY B 18 22.937 41.410 26.669 1.00 14.15 C ATOM 1068 O GLY B 18 21.876 40.885 26.292 1.00 14.03 O ATOM 0 H GLY B 18 24.354 43.807 27.978 1.00 10.15 H new ATOM 0 HA2 GLY B 18 22.197 43.324 26.670 1.00 9.43 H new ATOM 0 HA3 GLY B 18 23.622 43.240 26.043 1.00 9.43 H new ATOM 1069 N GLY B 19 24.022 40.712 26.992 1.00 15.11 N ATOM 1070 CA GLY B 19 24.006 39.259 26.962 1.00 16.01 C ATOM 1071 C GLY B 19 23.022 38.668 27.960 1.00 16.25 C ATOM 1072 O GLY B 19 22.414 37.642 27.699 1.00 20.82 O ATOM 0 H GLY B 19 24.772 41.060 27.229 1.00 15.11 H new ATOM 0 HA2 GLY B 19 23.776 38.959 26.069 1.00 16.01 H new ATOM 0 HA3 GLY B 19 24.896 38.924 27.153 1.00 16.01 H new ATOM 1073 N SER B 20 22.827 39.335 29.087 1.00 16.10 N ATOM 1074 CA SER B 20 21.900 38.863 30.109 1.00 18.66 C ATOM 1075 C SER B 20 20.475 38.961 29.563 1.00 19.32 C ATOM 1076 O SER B 20 19.748 37.960 29.490 1.00 19.12 O ATOM 1077 CB SER B 20 22.045 39.716 31.367 1.00 16.15 C ATOM 1078 OG SER B 20 21.404 39.107 32.460 1.00 19.14 O ATOM 0 H SER B 20 23.225 40.072 29.283 1.00 16.10 H new ATOM 0 HA SER B 20 22.096 37.941 30.337 1.00 18.66 H new ATOM 0 HB2 SER B 20 22.985 39.845 31.569 1.00 16.15 H new ATOM 0 HB3 SER B 20 21.665 40.595 31.212 1.00 16.15 H new ATOM 0 HG SER B 20 21.171 38.328 32.250 1.00 19.14 H new ATOM 1079 N MET B 21 20.096 40.170 29.158 1.00 20.44 N ATOM 1080 CA MET B 21 18.785 40.432 28.576 1.00 20.71 C ATOM 1081 C MET B 21 18.488 39.401 27.508 1.00 20.75 C ATOM 1082 O MET B 21 17.418 38.795 27.506 1.00 23.48 O ATOM 1083 CB MET B 21 18.763 41.823 27.940 1.00 18.79 C ATOM 1084 CG MET B 21 18.308 42.914 28.871 1.00 21.33 C ATOM 1085 SD MET B 21 16.585 42.710 29.376 1.00 20.26 S ATOM 1086 CE MET B 21 15.831 42.206 27.827 1.00 23.88 C ATOM 0 H MET B 21 20.597 40.866 29.214 1.00 20.44 H new ATOM 0 HA MET B 21 18.116 40.385 29.277 1.00 20.71 H new ATOM 0 HB2 MET B 21 19.653 42.035 27.618 1.00 18.79 H new ATOM 0 HB3 MET B 21 18.178 41.806 27.166 1.00 18.79 H new ATOM 0 HG2 MET B 21 18.875 42.922 29.658 1.00 21.33 H new ATOM 0 HG3 MET B 21 18.416 43.774 28.435 1.00 21.33 H new ATOM 0 HE1 MET B 21 14.873 42.348 27.872 1.00 23.88 H new ATOM 0 HE2 MET B 21 16.202 42.731 27.101 1.00 23.88 H new ATOM 0 HE3 MET B 21 16.011 41.266 27.670 1.00 23.88 H new ATOM 1087 N LYS B 22 19.453 39.195 26.615 1.00 19.34 N ATOM 1088 CA LYS B 22 19.325 38.231 25.526 1.00 22.03 C ATOM 1089 C LYS B 22 18.992 36.838 26.067 1.00 20.93 C ATOM 1090 O LYS B 22 18.018 36.193 25.671 1.00 21.25 O ATOM 1091 CB LYS B 22 20.653 38.137 24.791 1.00 26.37 C ATOM 1092 CG LYS B 22 20.558 37.695 23.351 1.00 32.63 C ATOM 1093 CD LYS B 22 20.485 38.914 22.433 1.00 38.42 C ATOM 1094 CE LYS B 22 21.510 39.986 22.851 1.00 43.79 C ATOM 1095 NZ LYS B 22 22.911 39.450 23.027 1.00 43.71 N ATOM 0 H LYS B 22 20.204 39.613 26.624 1.00 19.34 H new ATOM 0 HA LYS B 22 18.614 38.529 24.937 1.00 22.03 H new ATOM 0 HB2 LYS B 22 21.085 39.005 24.821 1.00 26.37 H new ATOM 0 HB3 LYS B 22 21.227 37.518 25.268 1.00 26.37 H new ATOM 0 HG2 LYS B 22 21.328 37.153 23.120 1.00 32.63 H new ATOM 0 HG3 LYS B 22 19.772 37.140 23.227 1.00 32.63 H new ATOM 0 HD2 LYS B 22 20.652 38.643 21.517 1.00 38.42 H new ATOM 0 HD3 LYS B 22 19.591 39.289 22.460 1.00 38.42 H new ATOM 0 HE2 LYS B 22 21.523 40.688 22.182 1.00 43.79 H new ATOM 0 HE3 LYS B 22 21.221 40.392 23.683 1.00 43.79 H new ATOM 0 HZ1 LYS B 22 23.492 40.008 22.649 1.00 43.71 H new ATOM 0 HZ2 LYS B 22 23.094 39.376 23.895 1.00 43.71 H new ATOM 0 HZ3 LYS B 22 22.974 38.650 22.641 1.00 43.71 H new ATOM 1096 N ALA B 23 19.811 36.370 26.994 1.00 19.97 N ATOM 1097 CA ALA B 23 19.589 35.053 27.547 1.00 17.22 C ATOM 1098 C ALA B 23 18.271 34.979 28.297 1.00 15.92 C ATOM 1099 O ALA B 23 17.673 33.909 28.373 1.00 14.73 O ATOM 1100 CB ALA B 23 20.749 34.655 28.443 1.00 17.78 C ATOM 0 H ALA B 23 20.490 36.793 27.311 1.00 19.97 H new ATOM 0 HA ALA B 23 19.537 34.423 26.811 1.00 17.22 H new ATOM 0 HB1 ALA B 23 20.588 33.771 28.807 1.00 17.78 H new ATOM 0 HB2 ALA B 23 21.570 34.647 27.926 1.00 17.78 H new ATOM 0 HB3 ALA B 23 20.831 35.293 29.169 1.00 17.78 H new ATOM 1101 N MET B 24 17.810 36.098 28.854 1.00 12.97 N ATOM 1102 CA MET B 24 16.554 36.074 29.608 1.00 16.17 C ATOM 1103 C MET B 24 15.295 36.078 28.758 1.00 17.71 C ATOM 1104 O MET B 24 14.275 35.510 29.159 1.00 13.96 O ATOM 1105 CB MET B 24 16.512 37.167 30.681 1.00 15.39 C ATOM 1106 CG MET B 24 17.231 36.719 31.951 1.00 18.10 C ATOM 1107 SD MET B 24 17.340 37.920 33.274 1.00 14.02 S ATOM 1108 CE MET B 24 17.585 39.460 32.365 1.00 16.09 C ATOM 0 H MET B 24 18.197 36.865 28.810 1.00 12.97 H new ATOM 0 HA MET B 24 16.553 35.210 30.049 1.00 16.17 H new ATOM 0 HB2 MET B 24 16.926 37.975 30.340 1.00 15.39 H new ATOM 0 HB3 MET B 24 15.590 37.386 30.888 1.00 15.39 H new ATOM 0 HG2 MET B 24 16.780 35.931 32.293 1.00 18.10 H new ATOM 0 HG3 MET B 24 18.131 36.449 31.711 1.00 18.10 H new ATOM 0 HE1 MET B 24 17.967 40.127 32.956 1.00 16.09 H new ATOM 0 HE2 MET B 24 18.187 39.304 31.621 1.00 16.09 H new ATOM 0 HE3 MET B 24 16.732 39.777 32.029 1.00 16.09 H new ATOM 1109 N THR B 25 15.376 36.697 27.576 1.00 20.23 N ATOM 1110 CA THR B 25 14.253 36.747 26.649 1.00 18.52 C ATOM 1111 C THR B 25 13.942 35.324 26.212 1.00 19.42 C ATOM 1112 O THR B 25 12.778 34.953 26.084 1.00 24.58 O ATOM 1113 CB THR B 25 14.583 37.610 25.424 1.00 17.39 C ATOM 1114 OG1 THR B 25 14.866 38.949 25.848 1.00 12.43 O ATOM 1115 CG2 THR B 25 13.399 37.632 24.450 1.00 22.12 C ATOM 0 H THR B 25 16.083 37.097 27.294 1.00 20.23 H new ATOM 0 HA THR B 25 13.487 37.147 27.090 1.00 18.52 H new ATOM 0 HB THR B 25 15.355 37.232 24.975 1.00 17.39 H new ATOM 0 HG1 THR B 25 15.566 38.954 26.313 1.00 12.43 H new ATOM 0 HG21 THR B 25 13.622 38.181 23.682 1.00 22.12 H new ATOM 0 HG22 THR B 25 13.205 36.728 24.156 1.00 22.12 H new ATOM 0 HG23 THR B 25 12.620 38.001 24.895 1.00 22.12 H new ATOM 1116 N GLY B 26 14.986 34.527 26.003 1.00 18.32 N ATOM 1117 CA GLY B 26 14.798 33.143 25.612 1.00 18.77 C ATOM 1118 C GLY B 26 14.244 32.324 26.768 1.00 22.02 C ATOM 1119 O GLY B 26 13.358 31.481 26.571 1.00 21.98 O ATOM 0 H GLY B 26 15.807 34.771 26.083 1.00 18.32 H new ATOM 0 HA2 GLY B 26 14.191 33.096 24.857 1.00 18.77 H new ATOM 0 HA3 GLY B 26 15.643 32.767 25.320 1.00 18.77 H new ATOM 1120 N VAL B 27 14.733 32.582 27.982 1.00 20.50 N ATOM 1121 CA VAL B 27 14.241 31.853 29.143 1.00 18.97 C ATOM 1122 C VAL B 27 12.755 32.164 29.293 1.00 21.35 C ATOM 1123 O VAL B 27 11.959 31.273 29.554 1.00 22.03 O ATOM 1124 CB VAL B 27 15.024 32.193 30.460 1.00 19.18 C ATOM 1125 CG1 VAL B 27 14.397 31.464 31.665 1.00 18.95 C ATOM 1126 CG2 VAL B 27 16.492 31.753 30.338 1.00 15.48 C ATOM 0 H VAL B 27 15.341 33.167 28.150 1.00 20.50 H new ATOM 0 HA VAL B 27 14.382 30.904 28.998 1.00 18.97 H new ATOM 0 HB VAL B 27 14.976 33.152 30.595 1.00 19.18 H new ATOM 0 HG11 VAL B 27 14.892 31.684 32.470 1.00 18.95 H new ATOM 0 HG12 VAL B 27 13.473 31.742 31.767 1.00 18.95 H new ATOM 0 HG13 VAL B 27 14.431 30.506 31.517 1.00 18.95 H new ATOM 0 HG21 VAL B 27 16.964 31.969 31.158 1.00 15.48 H new ATOM 0 HG22 VAL B 27 16.532 30.796 30.185 1.00 15.48 H new ATOM 0 HG23 VAL B 27 16.908 32.216 29.594 1.00 15.48 H new ATOM 1127 N ALA B 28 12.373 33.412 29.042 1.00 23.09 N ATOM 1128 CA ALA B 28 10.975 33.825 29.142 1.00 25.50 C ATOM 1129 C ALA B 28 10.060 33.111 28.124 1.00 26.59 C ATOM 1130 O ALA B 28 8.856 32.983 28.340 1.00 26.22 O ATOM 1131 CB ALA B 28 10.859 35.353 29.010 1.00 25.18 C ATOM 0 H ALA B 28 12.912 34.041 28.810 1.00 23.09 H new ATOM 0 HA ALA B 28 10.663 33.557 30.021 1.00 25.50 H new ATOM 0 HB1 ALA B 28 9.927 35.614 29.078 1.00 25.18 H new ATOM 0 HB2 ALA B 28 11.366 35.779 29.719 1.00 25.18 H new ATOM 0 HB3 ALA B 28 11.210 35.631 28.150 1.00 25.18 H new ATOM 1132 N LYS B 29 10.635 32.619 27.036 1.00 26.61 N ATOM 1133 CA LYS B 29 9.863 31.904 26.030 1.00 28.44 C ATOM 1134 C LYS B 29 9.692 30.402 26.349 1.00 28.30 C ATOM 1135 O LYS B 29 8.851 29.729 25.761 1.00 29.44 O ATOM 1136 CB LYS B 29 10.527 32.059 24.659 1.00 31.39 C ATOM 1137 CG LYS B 29 10.573 33.479 24.133 1.00 36.39 C ATOM 1138 CD LYS B 29 11.334 33.522 22.816 1.00 39.82 C ATOM 1139 CE LYS B 29 11.686 34.944 22.410 1.00 42.32 C ATOM 1140 NZ LYS B 29 12.619 34.958 21.253 1.00 43.63 N ATOM 0 H LYS B 29 11.474 32.688 26.860 1.00 26.61 H new ATOM 0 HA LYS B 29 8.977 32.298 26.028 1.00 28.44 H new ATOM 0 HB2 LYS B 29 11.433 31.718 24.712 1.00 31.39 H new ATOM 0 HB3 LYS B 29 10.052 31.506 24.019 1.00 31.39 H new ATOM 0 HG2 LYS B 29 9.672 33.814 24.005 1.00 36.39 H new ATOM 0 HG3 LYS B 29 11.002 34.059 24.782 1.00 36.39 H new ATOM 0 HD2 LYS B 29 12.147 32.998 22.895 1.00 39.82 H new ATOM 0 HD3 LYS B 29 10.798 33.111 22.120 1.00 39.82 H new ATOM 0 HE2 LYS B 29 10.877 35.428 22.182 1.00 42.32 H new ATOM 0 HE3 LYS B 29 12.091 35.406 23.161 1.00 42.32 H new ATOM 0 HZ1 LYS B 29 12.809 35.800 21.035 1.00 43.63 H new ATOM 0 HZ2 LYS B 29 13.369 34.532 21.471 1.00 43.63 H new ATOM 0 HZ3 LYS B 29 12.238 34.551 20.559 1.00 43.63 H new ATOM 1141 N ALA B 30 10.530 29.863 27.222 1.00 25.66 N ATOM 1142 CA ALA B 30 10.463 28.452 27.587 1.00 24.99 C ATOM 1143 C ALA B 30 10.928 28.426 29.032 1.00 25.91 C ATOM 1144 O ALA B 30 12.004 27.914 29.355 1.00 29.04 O ATOM 1145 CB ALA B 30 11.409 27.628 26.696 1.00 23.81 C ATOM 0 H ALA B 30 11.153 30.302 27.620 1.00 25.66 H new ATOM 0 HA ALA B 30 9.577 28.072 27.475 1.00 24.99 H new ATOM 0 HB1 ALA B 30 11.357 26.692 26.947 1.00 23.81 H new ATOM 0 HB2 ALA B 30 11.148 27.728 25.767 1.00 23.81 H new ATOM 0 HB3 ALA B 30 12.319 27.943 26.812 1.00 23.81 H new ATOM 1146 N PHE B 31 10.100 28.992 29.896 1.00 24.58 N ATOM 1147 CA PHE B 31 10.436 29.120 31.293 1.00 24.16 C ATOM 1148 C PHE B 31 10.823 27.867 32.027 1.00 25.30 C ATOM 1149 O PHE B 31 10.054 26.919 32.117 1.00 27.63 O ATOM 1150 CB PHE B 31 9.335 29.858 32.045 1.00 24.61 C ATOM 1151 CG PHE B 31 9.707 30.242 33.455 1.00 22.73 C ATOM 1152 CD1 PHE B 31 9.463 29.377 34.517 1.00 23.59 C ATOM 1153 CD2 PHE B 31 10.265 31.471 33.717 1.00 19.81 C ATOM 1154 CE1 PHE B 31 9.768 29.742 35.825 1.00 25.11 C ATOM 1155 CE2 PHE B 31 10.571 31.841 35.004 1.00 23.79 C ATOM 1156 CZ PHE B 31 10.321 30.976 36.068 1.00 26.38 C ATOM 0 H PHE B 31 9.330 29.311 29.685 1.00 24.58 H new ATOM 0 HA PHE B 31 11.257 29.636 31.277 1.00 24.16 H new ATOM 0 HB2 PHE B 31 9.101 30.660 31.552 1.00 24.61 H new ATOM 0 HB3 PHE B 31 8.543 29.299 32.070 1.00 24.61 H new ATOM 0 HD1 PHE B 31 9.090 28.542 34.350 1.00 23.59 H new ATOM 0 HD2 PHE B 31 10.437 32.058 33.016 1.00 19.81 H new ATOM 0 HE1 PHE B 31 9.599 29.156 36.528 1.00 25.11 H new ATOM 0 HE2 PHE B 31 10.948 32.675 35.167 1.00 23.79 H new ATOM 0 HZ PHE B 31 10.527 31.233 36.938 1.00 26.38 H new ATOM 1157 N ASP B 32 12.038 27.889 32.558 1.00 26.41 N ATOM 1158 CA ASP B 32 12.574 26.794 33.350 1.00 26.91 C ATOM 1159 C ASP B 32 13.067 27.519 34.580 1.00 23.92 C ATOM 1160 O ASP B 32 13.917 28.396 34.476 1.00 27.73 O ATOM 1161 CB ASP B 32 13.738 26.094 32.629 1.00 26.39 C ATOM 1162 CG ASP B 32 14.456 25.104 33.518 1.00 27.17 C ATOM 1163 OD1 ASP B 32 13.824 24.170 34.044 1.00 32.90 O ATOM 1164 OD2 ASP B 32 15.670 25.267 33.711 1.00 38.56 O ATOM 0 H ASP B 32 12.581 28.550 32.467 1.00 26.41 H new ATOM 0 HA ASP B 32 11.929 26.092 33.530 1.00 26.91 H new ATOM 0 HB2 ASP B 32 13.400 25.634 31.845 1.00 26.39 H new ATOM 0 HB3 ASP B 32 14.369 26.761 32.316 1.00 26.39 H new ATOM 1165 N ALA B 33 12.496 27.195 35.731 1.00 23.64 N ATOM 1166 CA ALA B 33 12.868 27.849 36.983 1.00 22.46 C ATOM 1167 C ALA B 33 14.343 27.816 37.287 1.00 18.83 C ATOM 1168 O ALA B 33 14.894 28.810 37.727 1.00 20.00 O ATOM 1169 CB ALA B 33 12.081 27.268 38.158 1.00 24.17 C ATOM 0 H ALA B 33 11.886 26.594 35.812 1.00 23.64 H new ATOM 0 HA ALA B 33 12.637 28.783 36.859 1.00 22.46 H new ATOM 0 HB1 ALA B 33 12.344 27.716 38.977 1.00 24.17 H new ATOM 0 HB2 ALA B 33 11.132 27.399 38.008 1.00 24.17 H new ATOM 0 HB3 ALA B 33 12.268 26.319 38.235 1.00 24.17 H new ATOM 1170 N GLU B 34 14.998 26.703 36.984 1.00 19.23 N ATOM 1171 CA GLU B 34 16.427 26.575 37.268 1.00 20.50 C ATOM 1172 C GLU B 34 17.327 27.480 36.419 1.00 18.57 C ATOM 1173 O GLU B 34 18.253 28.097 36.935 1.00 22.03 O ATOM 1174 CB GLU B 34 16.855 25.113 37.184 1.00 22.82 C ATOM 1175 CG GLU B 34 15.939 24.158 37.960 1.00 31.54 C ATOM 1176 CD GLU B 34 15.674 24.588 39.405 1.00 39.87 C ATOM 1177 OE1 GLU B 34 16.648 24.696 40.193 1.00 38.97 O ATOM 1178 OE2 GLU B 34 14.481 24.802 39.754 1.00 40.33 O ATOM 0 H GLU B 34 14.640 26.013 36.616 1.00 19.23 H new ATOM 0 HA GLU B 34 16.551 26.892 38.176 1.00 20.50 H new ATOM 0 HB2 GLU B 34 16.876 24.843 36.253 1.00 22.82 H new ATOM 0 HB3 GLU B 34 17.760 25.029 37.524 1.00 22.82 H new ATOM 0 HG2 GLU B 34 15.092 24.086 37.493 1.00 31.54 H new ATOM 0 HG3 GLU B 34 16.337 23.274 37.963 1.00 31.54 H new ATOM 1179 N ALA B 35 17.029 27.590 35.132 1.00 18.24 N ATOM 1180 CA ALA B 35 17.788 28.442 34.225 1.00 15.63 C ATOM 1181 C ALA B 35 17.484 29.921 34.535 1.00 14.92 C ATOM 1182 O ALA B 35 18.345 30.807 34.403 1.00 10.60 O ATOM 1183 CB ALA B 35 17.417 28.116 32.804 1.00 16.30 C ATOM 0 H ALA B 35 16.378 27.171 34.757 1.00 18.24 H new ATOM 0 HA ALA B 35 18.738 28.286 34.344 1.00 15.63 H new ATOM 0 HB1 ALA B 35 17.922 28.682 32.200 1.00 16.30 H new ATOM 0 HB2 ALA B 35 17.622 27.186 32.621 1.00 16.30 H new ATOM 0 HB3 ALA B 35 16.468 28.269 32.674 1.00 16.30 H new ATOM 1184 N ALA B 36 16.251 30.183 34.961 1.00 13.81 N ATOM 1185 CA ALA B 36 15.854 31.532 35.320 1.00 10.88 C ATOM 1186 C ALA B 36 16.706 31.967 36.522 1.00 12.47 C ATOM 1187 O ALA B 36 17.249 33.089 36.532 1.00 14.45 O ATOM 1188 CB ALA B 36 14.373 31.586 35.637 1.00 5.66 C ATOM 0 H ALA B 36 15.633 29.591 35.048 1.00 13.81 H new ATOM 0 HA ALA B 36 16.002 32.140 34.579 1.00 10.88 H new ATOM 0 HB1 ALA B 36 14.126 32.493 35.874 1.00 5.66 H new ATOM 0 HB2 ALA B 36 13.865 31.306 34.860 1.00 5.66 H new ATOM 0 HB3 ALA B 36 14.179 30.994 36.380 1.00 5.66 H new ATOM 1189 N LYS B 37 16.946 31.040 37.456 1.00 11.38 N ATOM 1190 CA LYS B 37 17.739 31.351 38.652 1.00 11.05 C ATOM 1191 C LYS B 37 19.179 31.602 38.269 1.00 12.82 C ATOM 1192 O LYS B 37 19.801 32.559 38.756 1.00 13.77 O ATOM 1193 CB LYS B 37 17.668 30.233 39.697 1.00 12.25 C ATOM 1194 CG LYS B 37 16.332 30.085 40.410 1.00 20.94 C ATOM 1195 CD LYS B 37 16.313 28.797 41.206 1.00 26.87 C ATOM 1196 CE LYS B 37 14.921 28.444 41.704 1.00 31.79 C ATOM 1197 NZ LYS B 37 14.904 27.094 42.348 1.00 34.44 N ATOM 0 H LYS B 37 16.660 30.230 37.417 1.00 11.38 H new ATOM 0 HA LYS B 37 17.361 32.151 39.050 1.00 11.05 H new ATOM 0 HB2 LYS B 37 17.880 29.392 39.263 1.00 12.25 H new ATOM 0 HB3 LYS B 37 18.356 30.390 40.362 1.00 12.25 H new ATOM 0 HG2 LYS B 37 16.185 30.841 41.000 1.00 20.94 H new ATOM 0 HG3 LYS B 37 15.609 30.085 39.763 1.00 20.94 H new ATOM 0 HD2 LYS B 37 16.649 28.074 40.654 1.00 26.87 H new ATOM 0 HD3 LYS B 37 16.914 28.879 41.963 1.00 26.87 H new ATOM 0 HE2 LYS B 37 14.623 29.113 42.340 1.00 31.79 H new ATOM 0 HE3 LYS B 37 14.296 28.460 40.963 1.00 31.79 H new ATOM 0 HZ1 LYS B 37 14.080 26.910 42.631 1.00 34.44 H new ATOM 0 HZ2 LYS B 37 15.158 26.479 41.757 1.00 34.44 H new ATOM 0 HZ3 LYS B 37 15.463 27.088 43.040 1.00 34.44 H new ATOM 1198 N VAL B 38 19.718 30.748 37.400 1.00 10.98 N ATOM 1199 CA VAL B 38 21.102 30.904 36.943 1.00 7.20 C ATOM 1200 C VAL B 38 21.286 32.268 36.254 1.00 4.18 C ATOM 1201 O VAL B 38 22.153 33.031 36.622 1.00 2.70 O ATOM 1202 CB VAL B 38 21.511 29.735 36.028 1.00 12.24 C ATOM 1203 CG1 VAL B 38 20.994 28.455 36.591 1.00 18.09 C ATOM 1204 CG2 VAL B 38 20.999 29.908 34.607 1.00 19.95 C ATOM 0 H VAL B 38 19.303 30.074 37.063 1.00 10.98 H new ATOM 0 HA VAL B 38 21.692 30.882 37.713 1.00 7.20 H new ATOM 0 HB VAL B 38 22.480 29.720 35.990 1.00 12.24 H new ATOM 0 HG11 VAL B 38 21.252 27.720 36.014 1.00 18.09 H new ATOM 0 HG12 VAL B 38 21.366 28.317 37.476 1.00 18.09 H new ATOM 0 HG13 VAL B 38 20.027 28.495 36.650 1.00 18.09 H new ATOM 0 HG21 VAL B 38 21.279 29.152 34.068 1.00 19.95 H new ATOM 0 HG22 VAL B 38 20.030 29.958 34.616 1.00 19.95 H new ATOM 0 HG23 VAL B 38 21.361 30.725 34.230 1.00 19.95 H new ATOM 1205 N GLU B 39 20.376 32.643 35.360 1.00 8.03 N ATOM 1206 CA GLU B 39 20.465 33.948 34.690 1.00 9.19 C ATOM 1207 C GLU B 39 20.308 35.129 35.642 1.00 11.77 C ATOM 1208 O GLU B 39 20.926 36.183 35.421 1.00 15.61 O ATOM 1209 CB GLU B 39 19.408 34.074 33.589 1.00 9.32 C ATOM 1210 CG GLU B 39 19.599 33.100 32.442 1.00 10.93 C ATOM 1211 CD GLU B 39 20.998 33.170 31.833 1.00 14.86 C ATOM 1212 OE1 GLU B 39 21.649 34.243 31.892 1.00 6.80 O ATOM 1213 OE2 GLU B 39 21.444 32.142 31.281 1.00 18.36 O ATOM 0 H GLU B 39 19.702 32.164 35.125 1.00 8.03 H new ATOM 0 HA GLU B 39 21.358 33.981 34.312 1.00 9.19 H new ATOM 0 HB2 GLU B 39 18.530 33.935 33.978 1.00 9.32 H new ATOM 0 HB3 GLU B 39 19.423 34.979 33.240 1.00 9.32 H new ATOM 0 HG2 GLU B 39 19.433 32.198 32.758 1.00 10.93 H new ATOM 0 HG3 GLU B 39 18.941 33.285 31.753 1.00 10.93 H new ATOM 1214 N ALA B 40 19.441 34.979 36.654 1.00 9.06 N ATOM 1215 CA ALA B 40 19.187 36.033 37.640 1.00 4.73 C ATOM 1216 C ALA B 40 20.403 36.205 38.537 1.00 7.15 C ATOM 1217 O ALA B 40 20.766 37.323 38.927 1.00 7.96 O ATOM 1218 CB ALA B 40 17.962 35.693 38.470 1.00 2.00 C ATOM 0 H ALA B 40 18.985 34.262 36.785 1.00 9.06 H new ATOM 0 HA ALA B 40 19.020 36.867 37.174 1.00 4.73 H new ATOM 0 HB1 ALA B 40 17.804 36.397 39.118 1.00 2.00 H new ATOM 0 HB2 ALA B 40 17.190 35.610 37.889 1.00 2.00 H new ATOM 0 HB3 ALA B 40 18.108 34.854 38.934 1.00 2.00 H new ATOM 1219 N ALA B 41 21.025 35.086 38.886 1.00 9.29 N ATOM 1220 CA ALA B 41 22.218 35.085 39.709 1.00 7.15 C ATOM 1221 C ALA B 41 23.265 35.951 38.977 1.00 9.05 C ATOM 1222 O ALA B 41 23.993 36.750 39.584 1.00 10.58 O ATOM 1223 CB ALA B 41 22.709 33.654 39.860 1.00 5.72 C ATOM 0 H ALA B 41 20.762 34.302 38.649 1.00 9.29 H new ATOM 0 HA ALA B 41 22.050 35.442 40.595 1.00 7.15 H new ATOM 0 HB1 ALA B 41 23.508 33.642 40.410 1.00 5.72 H new ATOM 0 HB2 ALA B 41 22.019 33.118 40.281 1.00 5.72 H new ATOM 0 HB3 ALA B 41 22.913 33.288 38.985 1.00 5.72 H new ATOM 1224 N LYS B 42 23.352 35.778 37.670 1.00 7.77 N ATOM 1225 CA LYS B 42 24.264 36.573 36.856 1.00 8.04 C ATOM 1226 C LYS B 42 23.790 38.023 36.844 1.00 7.77 C ATOM 1227 O LYS B 42 24.591 38.934 37.063 1.00 7.74 O ATOM 1228 CB LYS B 42 24.284 36.037 35.419 1.00 10.29 C ATOM 1229 CG LYS B 42 25.204 36.775 34.470 1.00 7.51 C ATOM 1230 CD LYS B 42 25.094 36.212 33.062 1.00 5.17 C ATOM 1231 CE LYS B 42 25.954 37.033 32.120 1.00 10.16 C ATOM 1232 NZ LYS B 42 25.977 36.505 30.738 1.00 3.01 N ATOM 0 H LYS B 42 22.890 35.202 37.229 1.00 7.77 H new ATOM 0 HA LYS B 42 25.157 36.519 37.230 1.00 8.04 H new ATOM 0 HB2 LYS B 42 24.546 35.103 35.441 1.00 10.29 H new ATOM 0 HB3 LYS B 42 23.382 36.070 35.064 1.00 10.29 H new ATOM 0 HG2 LYS B 42 24.979 37.719 34.464 1.00 7.51 H new ATOM 0 HG3 LYS B 42 26.120 36.704 34.780 1.00 7.51 H new ATOM 0 HD2 LYS B 42 25.379 35.285 33.051 1.00 5.17 H new ATOM 0 HD3 LYS B 42 24.170 36.228 32.768 1.00 5.17 H new ATOM 0 HE2 LYS B 42 25.626 37.946 32.105 1.00 10.16 H new ATOM 0 HE3 LYS B 42 26.861 37.063 32.463 1.00 10.16 H new ATOM 0 HZ1 LYS B 42 26.093 37.176 30.165 1.00 3.01 H new ATOM 0 HZ2 LYS B 42 26.646 35.924 30.653 1.00 3.01 H new ATOM 0 HZ3 LYS B 42 25.206 36.097 30.563 1.00 3.01 H new ATOM 1233 N LEU B 43 22.489 38.251 36.638 1.00 10.05 N ATOM 1234 CA LEU B 43 21.989 39.626 36.595 1.00 8.80 C ATOM 1235 C LEU B 43 22.241 40.359 37.898 1.00 8.02 C ATOM 1236 O LEU B 43 22.616 41.525 37.882 1.00 11.45 O ATOM 1237 CB LEU B 43 20.506 39.709 36.214 1.00 15.18 C ATOM 1238 CG LEU B 43 19.900 41.133 36.052 1.00 14.69 C ATOM 1239 CD1 LEU B 43 20.394 41.783 34.779 1.00 13.67 C ATOM 1240 CD2 LEU B 43 18.373 41.071 36.032 1.00 10.27 C ATOM 0 H LEU B 43 21.894 37.640 36.524 1.00 10.05 H new ATOM 0 HA LEU B 43 22.493 40.067 35.893 1.00 8.80 H new ATOM 0 HB2 LEU B 43 20.381 39.231 35.379 1.00 15.18 H new ATOM 0 HB3 LEU B 43 19.994 39.238 36.890 1.00 15.18 H new ATOM 0 HG LEU B 43 20.186 41.665 36.811 1.00 14.69 H new ATOM 0 HD11 LEU B 43 20.006 42.668 34.696 1.00 13.67 H new ATOM 0 HD12 LEU B 43 21.361 41.855 34.807 1.00 13.67 H new ATOM 0 HD13 LEU B 43 20.132 41.243 34.017 1.00 13.67 H new ATOM 0 HD21 LEU B 43 18.014 41.966 35.931 1.00 10.27 H new ATOM 0 HD22 LEU B 43 18.081 40.520 35.289 1.00 10.27 H new ATOM 0 HD23 LEU B 43 18.054 40.687 36.864 1.00 10.27 H new ATOM 1241 N GLU B 44 22.101 39.660 39.018 1.00 8.89 N ATOM 1242 CA GLU B 44 22.338 40.255 40.326 1.00 10.45 C ATOM 1243 C GLU B 44 23.738 40.828 40.445 1.00 11.66 C ATOM 1244 O GLU B 44 23.901 41.960 40.889 1.00 14.86 O ATOM 1245 CB GLU B 44 22.115 39.255 41.452 1.00 3.35 C ATOM 1246 CG GLU B 44 22.261 39.916 42.801 1.00 15.71 C ATOM 1247 CD GLU B 44 21.660 39.123 43.947 1.00 22.52 C ATOM 1248 OE1 GLU B 44 21.386 37.925 43.779 1.00 33.02 O ATOM 1249 OE2 GLU B 44 21.475 39.707 45.023 1.00 28.90 O ATOM 0 H GLU B 44 21.867 38.833 39.041 1.00 8.89 H new ATOM 0 HA GLU B 44 21.695 40.976 40.410 1.00 10.45 H new ATOM 0 HB2 GLU B 44 21.230 38.866 41.373 1.00 3.35 H new ATOM 0 HB3 GLU B 44 22.752 38.528 41.374 1.00 3.35 H new ATOM 0 HG2 GLU B 44 23.203 40.060 42.979 1.00 15.71 H new ATOM 0 HG3 GLU B 44 21.841 40.790 42.770 1.00 15.71 H new ATOM 1250 N LYS B 45 24.750 40.044 40.067 1.00 11.37 N ATOM 1251 CA LYS B 45 26.123 40.505 40.125 1.00 11.02 C ATOM 1252 C LYS B 45 26.376 41.682 39.184 1.00 11.42 C ATOM 1253 O LYS B 45 27.040 42.654 39.571 1.00 10.99 O ATOM 1254 CB LYS B 45 27.104 39.385 39.801 1.00 13.11 C ATOM 1255 CG LYS B 45 27.046 38.209 40.737 1.00 22.46 C ATOM 1256 CD LYS B 45 27.164 38.641 42.203 1.00 27.32 C ATOM 1257 CE LYS B 45 27.330 37.452 43.161 1.00 20.54 C ATOM 1258 NZ LYS B 45 28.695 36.900 43.005 1.00 22.41 N ATOM 0 H LYS B 45 24.655 39.241 39.774 1.00 11.37 H new ATOM 0 HA LYS B 45 26.268 40.802 41.037 1.00 11.02 H new ATOM 0 HB2 LYS B 45 26.934 39.073 38.898 1.00 13.11 H new ATOM 0 HB3 LYS B 45 28.004 39.747 39.811 1.00 13.11 H new ATOM 0 HG2 LYS B 45 26.211 37.733 40.606 1.00 22.46 H new ATOM 0 HG3 LYS B 45 27.762 37.590 40.524 1.00 22.46 H new ATOM 0 HD2 LYS B 45 27.922 39.238 42.300 1.00 27.32 H new ATOM 0 HD3 LYS B 45 26.373 39.144 42.452 1.00 27.32 H new ATOM 0 HE2 LYS B 45 27.185 37.736 44.077 1.00 20.54 H new ATOM 0 HE3 LYS B 45 26.668 36.770 42.968 1.00 20.54 H new ATOM 0 HZ1 LYS B 45 28.868 36.341 43.676 1.00 22.41 H new ATOM 0 HZ2 LYS B 45 28.752 36.462 42.232 1.00 22.41 H new ATOM 0 HZ3 LYS B 45 29.287 37.565 43.013 1.00 22.41 H new ATOM 1259 N ILE B 46 25.891 41.598 37.948 1.00 9.35 N ATOM 1260 CA ILE B 46 26.098 42.701 37.009 1.00 11.10 C ATOM 1261 C ILE B 46 25.537 43.977 37.637 1.00 10.57 C ATOM 1262 O ILE B 46 26.223 44.999 37.711 1.00 14.46 O ATOM 1263 CB ILE B 46 25.402 42.454 35.643 1.00 9.48 C ATOM 1264 CG1 ILE B 46 26.023 41.269 34.946 1.00 7.62 C ATOM 1265 CG2 ILE B 46 25.588 43.636 34.715 1.00 8.93 C ATOM 1266 CD1 ILE B 46 25.181 40.796 33.801 1.00 12.88 C ATOM 0 H ILE B 46 25.449 40.929 37.637 1.00 9.35 H new ATOM 0 HA ILE B 46 27.049 42.779 36.837 1.00 11.10 H new ATOM 0 HB ILE B 46 24.462 42.307 35.830 1.00 9.48 H new ATOM 0 HG12 ILE B 46 26.905 41.510 34.622 1.00 7.62 H new ATOM 0 HG13 ILE B 46 26.142 40.546 35.581 1.00 7.62 H new ATOM 0 HG21 ILE B 46 25.145 43.458 33.871 1.00 8.93 H new ATOM 0 HG22 ILE B 46 25.204 44.429 35.120 1.00 8.93 H new ATOM 0 HG23 ILE B 46 26.535 43.780 34.559 1.00 8.93 H new ATOM 0 HD11 ILE B 46 25.609 40.036 33.377 1.00 12.88 H new ATOM 0 HD12 ILE B 46 24.307 40.533 34.129 1.00 12.88 H new ATOM 0 HD13 ILE B 46 25.082 41.512 33.155 1.00 12.88 H new ATOM 1267 N LEU B 47 24.334 43.885 38.188 1.00 10.83 N ATOM 1268 CA LEU B 47 23.695 45.047 38.794 1.00 13.22 C ATOM 1269 C LEU B 47 24.335 45.546 40.060 1.00 17.28 C ATOM 1270 O LEU B 47 23.911 46.568 40.577 1.00 22.43 O ATOM 1271 CB LEU B 47 22.218 44.805 39.053 1.00 9.72 C ATOM 1272 CG LEU B 47 21.339 44.695 37.812 1.00 12.88 C ATOM 1273 CD1 LEU B 47 19.929 44.367 38.243 1.00 7.94 C ATOM 1274 CD2 LEU B 47 21.382 45.992 36.999 1.00 12.21 C ATOM 0 H LEU B 47 23.871 43.161 38.222 1.00 10.83 H new ATOM 0 HA LEU B 47 23.816 45.743 38.129 1.00 13.22 H new ATOM 0 HB2 LEU B 47 22.126 43.988 39.568 1.00 9.72 H new ATOM 0 HB3 LEU B 47 21.881 45.528 39.605 1.00 9.72 H new ATOM 0 HG LEU B 47 21.671 43.987 37.238 1.00 12.88 H new ATOM 0 HD11 LEU B 47 19.360 44.294 37.461 1.00 7.94 H new ATOM 0 HD12 LEU B 47 19.925 43.525 38.724 1.00 7.94 H new ATOM 0 HD13 LEU B 47 19.595 45.071 38.821 1.00 7.94 H new ATOM 0 HD21 LEU B 47 20.818 45.902 36.215 1.00 12.21 H new ATOM 0 HD22 LEU B 47 21.062 46.727 37.545 1.00 12.21 H new ATOM 0 HD23 LEU B 47 22.294 46.170 36.721 1.00 12.21 H new ATOM 1275 N ALA B 48 25.303 44.812 40.599 1.00 19.98 N ATOM 1276 CA ALA B 48 25.974 45.257 41.818 1.00 20.96 C ATOM 1277 C ALA B 48 27.091 46.198 41.430 1.00 25.14 C ATOM 1278 O ALA B 48 27.811 46.688 42.286 1.00 26.88 O ATOM 1279 CB ALA B 48 26.511 44.096 42.621 1.00 17.32 C ATOM 0 H ALA B 48 25.584 44.064 40.281 1.00 19.98 H new ATOM 0 HA ALA B 48 25.331 45.713 42.384 1.00 20.96 H new ATOM 0 HB1 ALA B 48 26.948 44.430 43.420 1.00 17.32 H new ATOM 0 HB2 ALA B 48 25.780 43.511 42.873 1.00 17.32 H new ATOM 0 HB3 ALA B 48 27.151 43.601 42.086 1.00 17.32 H new ATOM 1280 N THR B 49 27.257 46.405 40.126 1.00 26.42 N ATOM 1281 CA THR B 49 28.262 47.315 39.617 1.00 30.86 C ATOM 1282 C THR B 49 27.696 48.730 39.788 1.00 34.00 C ATOM 1283 O THR B 49 26.501 48.951 39.615 1.00 28.92 O ATOM 1284 CB THR B 49 28.524 47.023 38.126 1.00 32.56 C ATOM 1285 OG1 THR B 49 29.213 45.775 38.002 1.00 37.13 O ATOM 1286 CG2 THR B 49 29.347 48.120 37.474 1.00 33.15 C ATOM 0 H THR B 49 26.788 46.020 39.517 1.00 26.42 H new ATOM 0 HA THR B 49 29.102 47.216 40.091 1.00 30.86 H new ATOM 0 HB THR B 49 27.667 46.983 37.673 1.00 32.56 H new ATOM 0 HG1 THR B 49 28.655 45.156 37.900 1.00 37.13 H new ATOM 0 HG21 THR B 49 29.492 47.904 36.540 1.00 33.15 H new ATOM 0 HG22 THR B 49 28.873 48.964 37.541 1.00 33.15 H new ATOM 0 HG23 THR B 49 30.203 48.194 37.925 1.00 33.15 H new ATOM 1287 N ASP B 50 28.523 49.678 40.203 1.00 40.58 N ATOM 1288 CA ASP B 50 28.029 51.041 40.358 1.00 47.09 C ATOM 1289 C ASP B 50 28.366 51.810 39.093 1.00 48.26 C ATOM 1290 O ASP B 50 29.528 51.917 38.702 1.00 50.10 O ATOM 1291 CB ASP B 50 28.644 51.736 41.578 1.00 51.80 C ATOM 1292 CG ASP B 50 27.901 53.014 41.962 1.00 59.14 C ATOM 1293 OD1 ASP B 50 26.873 53.337 41.312 1.00 63.83 O ATOM 1294 OD2 ASP B 50 28.335 53.693 42.921 1.00 61.69 O ATOM 0 H ASP B 50 29.353 49.561 40.396 1.00 40.58 H new ATOM 0 HA ASP B 50 27.070 51.016 40.501 1.00 47.09 H new ATOM 0 HB2 ASP B 50 28.639 51.124 42.331 1.00 51.80 H new ATOM 0 HB3 ASP B 50 29.572 51.949 41.391 1.00 51.80 H new ATOM 1295 N VAL B 51 27.340 52.344 38.459 1.00 49.08 N ATOM 1296 CA VAL B 51 27.514 53.089 37.225 1.00 52.09 C ATOM 1297 C VAL B 51 28.155 54.451 37.474 1.00 50.33 C ATOM 1298 O VAL B 51 28.748 55.039 36.574 1.00 51.21 O ATOM 1299 CB VAL B 51 26.147 53.304 36.539 1.00 57.07 C ATOM 1300 CG1 VAL B 51 25.386 51.987 36.474 1.00 61.19 C ATOM 1301 CG2 VAL B 51 25.311 54.350 37.291 1.00 58.74 C ATOM 0 H VAL B 51 26.525 52.287 38.728 1.00 49.08 H new ATOM 0 HA VAL B 51 28.101 52.569 36.654 1.00 52.09 H new ATOM 0 HB VAL B 51 26.308 53.630 35.640 1.00 57.07 H new ATOM 0 HG11 VAL B 51 24.529 52.129 36.042 1.00 61.19 H new ATOM 0 HG12 VAL B 51 25.900 51.341 35.966 1.00 61.19 H new ATOM 0 HG13 VAL B 51 25.243 51.651 37.373 1.00 61.19 H new ATOM 0 HG21 VAL B 51 24.459 54.467 36.842 1.00 58.74 H new ATOM 0 HG22 VAL B 51 25.158 54.049 38.200 1.00 58.74 H new ATOM 0 HG23 VAL B 51 25.787 55.195 37.306 1.00 58.74 H new ATOM 1302 N ALA B 52 28.062 54.914 38.715 1.00 47.67 N ATOM 1303 CA ALA B 52 28.565 56.219 39.126 1.00 46.96 C ATOM 1304 C ALA B 52 29.901 56.690 38.565 1.00 44.78 C ATOM 1305 O ALA B 52 29.957 57.673 37.827 1.00 44.71 O ATOM 1306 CB ALA B 52 28.553 56.332 40.655 1.00 48.88 C ATOM 0 H ALA B 52 27.697 54.470 39.355 1.00 47.67 H new ATOM 0 HA ALA B 52 27.938 56.832 38.711 1.00 46.96 H new ATOM 0 HB1 ALA B 52 28.889 57.203 40.918 1.00 48.88 H new ATOM 0 HB2 ALA B 52 27.646 56.224 40.981 1.00 48.88 H new ATOM 0 HB3 ALA B 52 29.117 55.640 41.035 1.00 48.88 H new ATOM 1307 N PRO B 53 30.993 55.996 38.895 1.00 43.26 N ATOM 1308 CA PRO B 53 32.307 56.407 38.391 1.00 40.22 C ATOM 1309 C PRO B 53 32.548 56.094 36.924 1.00 35.81 C ATOM 1310 O PRO B 53 33.599 56.434 36.390 1.00 37.42 O ATOM 1311 CB PRO B 53 33.273 55.590 39.261 1.00 43.86 C ATOM 1312 CG PRO B 53 32.438 55.195 40.483 1.00 44.23 C ATOM 1313 CD PRO B 53 31.132 54.871 39.834 1.00 43.47 C ATOM 0 HA PRO B 53 32.410 57.370 38.443 1.00 40.22 H new ATOM 0 HB2 PRO B 53 33.601 54.809 38.789 1.00 43.86 H new ATOM 0 HB3 PRO B 53 34.049 56.113 39.516 1.00 43.86 H new ATOM 0 HG2 PRO B 53 32.813 54.435 40.955 1.00 44.23 H new ATOM 0 HG3 PRO B 53 32.361 55.918 41.125 1.00 44.23 H new ATOM 0 HD2 PRO B 53 31.152 54.015 39.379 1.00 43.47 H new ATOM 0 HD3 PRO B 53 30.404 54.836 40.474 1.00 43.47 H new ATOM 1314 N LEU B 54 31.585 55.452 36.274 1.00 31.58 N ATOM 1315 CA LEU B 54 31.739 55.056 34.874 1.00 28.31 C ATOM 1316 C LEU B 54 31.443 56.134 33.860 1.00 25.48 C ATOM 1317 O LEU B 54 31.651 55.945 32.668 1.00 28.38 O ATOM 1318 CB LEU B 54 30.886 53.820 34.568 1.00 28.07 C ATOM 1319 CG LEU B 54 31.426 52.481 35.065 1.00 28.05 C ATOM 1320 CD1 LEU B 54 30.405 51.402 34.871 1.00 26.08 C ATOM 1321 CD2 LEU B 54 32.705 52.148 34.315 1.00 31.21 C ATOM 0 H LEU B 54 30.831 55.234 36.625 1.00 31.58 H new ATOM 0 HA LEU B 54 32.684 54.859 34.780 1.00 28.31 H new ATOM 0 HB2 LEU B 54 30.006 53.955 34.954 1.00 28.07 H new ATOM 0 HB3 LEU B 54 30.768 53.762 33.607 1.00 28.07 H new ATOM 0 HG LEU B 54 31.620 52.543 36.013 1.00 28.05 H new ATOM 0 HD11 LEU B 54 30.761 50.558 35.191 1.00 26.08 H new ATOM 0 HD12 LEU B 54 29.602 51.623 35.368 1.00 26.08 H new ATOM 0 HD13 LEU B 54 30.190 51.325 33.928 1.00 26.08 H new ATOM 0 HD21 LEU B 54 33.052 51.298 34.628 1.00 31.21 H new ATOM 0 HD22 LEU B 54 32.518 52.091 33.365 1.00 31.21 H new ATOM 0 HD23 LEU B 54 33.363 52.843 34.473 1.00 31.21 H new ATOM 1322 N PHE B 55 30.938 57.261 34.329 1.00 25.32 N ATOM 1323 CA PHE B 55 30.600 58.364 33.443 1.00 23.36 C ATOM 1324 C PHE B 55 31.279 59.641 33.926 1.00 23.47 C ATOM 1325 O PHE B 55 30.628 60.607 34.333 1.00 18.94 O ATOM 1326 CB PHE B 55 29.066 58.517 33.350 1.00 21.34 C ATOM 1327 CG PHE B 55 28.394 57.379 32.634 1.00 20.22 C ATOM 1328 CD1 PHE B 55 28.367 57.338 31.240 1.00 19.41 C ATOM 1329 CD2 PHE B 55 27.877 56.308 33.340 1.00 17.41 C ATOM 1330 CE1 PHE B 55 27.849 56.243 30.553 1.00 18.79 C ATOM 1331 CE2 PHE B 55 27.355 55.205 32.659 1.00 22.76 C ATOM 1332 CZ PHE B 55 27.346 55.175 31.261 1.00 15.40 C ATOM 0 H PHE B 55 30.782 57.410 35.161 1.00 25.32 H new ATOM 0 HA PHE B 55 30.926 58.180 32.548 1.00 23.36 H new ATOM 0 HB2 PHE B 55 28.700 58.588 34.246 1.00 21.34 H new ATOM 0 HB3 PHE B 55 28.858 59.346 32.892 1.00 21.34 H new ATOM 0 HD1 PHE B 55 28.703 58.059 30.758 1.00 19.41 H new ATOM 0 HD2 PHE B 55 27.877 56.322 34.270 1.00 17.41 H new ATOM 0 HE1 PHE B 55 27.843 56.233 29.623 1.00 18.79 H new ATOM 0 HE2 PHE B 55 27.011 54.486 33.139 1.00 22.76 H new ATOM 0 HZ PHE B 55 27.002 54.437 30.812 1.00 15.40 H new ATOM 1333 N PRO B 56 32.617 59.624 33.987 1.00 26.46 N ATOM 1334 CA PRO B 56 33.271 60.851 34.439 1.00 29.27 C ATOM 1335 C PRO B 56 33.203 61.876 33.303 1.00 30.43 C ATOM 1336 O PRO B 56 33.203 61.519 32.127 1.00 31.13 O ATOM 1337 CB PRO B 56 34.700 60.383 34.725 1.00 27.54 C ATOM 1338 CG PRO B 56 34.908 59.333 33.686 1.00 26.84 C ATOM 1339 CD PRO B 56 33.607 58.559 33.749 1.00 26.71 C ATOM 0 HA PRO B 56 32.874 61.278 35.214 1.00 29.27 H new ATOM 0 HB2 PRO B 56 35.341 61.106 34.641 1.00 27.54 H new ATOM 0 HB3 PRO B 56 34.791 60.026 35.622 1.00 27.54 H new ATOM 0 HG2 PRO B 56 35.059 59.717 32.808 1.00 26.84 H new ATOM 0 HG3 PRO B 56 35.674 58.772 33.886 1.00 26.84 H new ATOM 0 HD2 PRO B 56 33.431 58.080 32.924 1.00 26.71 H new ATOM 0 HD3 PRO B 56 33.611 57.903 34.463 1.00 26.71 H new ATOM 1340 N ALA B 57 33.074 63.143 33.666 1.00 33.55 N ATOM 1341 CA ALA B 57 32.998 64.208 32.689 1.00 34.03 C ATOM 1342 C ALA B 57 34.116 64.080 31.654 1.00 34.35 C ATOM 1343 O ALA B 57 35.228 63.637 31.968 1.00 35.91 O ATOM 1344 CB ALA B 57 33.062 65.538 33.383 1.00 34.49 C ATOM 0 H ALA B 57 33.028 63.406 34.483 1.00 33.55 H new ATOM 0 HA ALA B 57 32.153 64.140 32.218 1.00 34.03 H new ATOM 0 HB1 ALA B 57 33.011 66.249 32.725 1.00 34.49 H new ATOM 0 HB2 ALA B 57 32.319 65.616 34.002 1.00 34.49 H new ATOM 0 HB3 ALA B 57 33.897 65.609 33.871 1.00 34.49 H new ATOM 1345 N GLY B 58 33.781 64.416 30.415 1.00 32.33 N ATOM 1346 CA GLY B 58 34.736 64.349 29.336 1.00 33.93 C ATOM 1347 C GLY B 58 34.735 63.036 28.581 1.00 33.37 C ATOM 1348 O GLY B 58 35.633 62.798 27.768 1.00 37.00 O ATOM 0 H GLY B 58 32.998 64.687 30.183 1.00 32.33 H new ATOM 0 HA2 GLY B 58 34.553 65.069 28.712 1.00 33.93 H new ATOM 0 HA3 GLY B 58 35.624 64.503 29.694 1.00 33.93 H new ATOM 1349 N THR B 59 33.746 62.182 28.818 1.00 28.36 N ATOM 1350 CA THR B 59 33.709 60.911 28.111 1.00 25.99 C ATOM 1351 C THR B 59 32.534 60.749 27.144 1.00 23.19 C ATOM 1352 O THR B 59 32.039 59.642 26.949 1.00 29.50 O ATOM 1353 CB THR B 59 33.712 59.743 29.104 1.00 25.50 C ATOM 1354 OG1 THR B 59 32.747 60.002 30.129 1.00 28.97 O ATOM 1355 CG2 THR B 59 35.086 59.561 29.719 1.00 19.92 C ATOM 0 H THR B 59 33.101 62.315 29.371 1.00 28.36 H new ATOM 0 HA THR B 59 34.512 60.905 27.567 1.00 25.99 H new ATOM 0 HB THR B 59 33.484 58.926 28.633 1.00 25.50 H new ATOM 0 HG1 THR B 59 33.133 60.319 30.804 1.00 28.97 H new ATOM 0 HG21 THR B 59 35.066 58.819 30.343 1.00 19.92 H new ATOM 0 HG22 THR B 59 35.732 59.377 29.019 1.00 19.92 H new ATOM 0 HG23 THR B 59 35.340 60.371 30.189 1.00 19.92 H new ATOM 1356 N SER B 60 32.082 61.830 26.527 1.00 20.03 N ATOM 1357 CA SER B 60 30.964 61.712 25.597 1.00 19.08 C ATOM 1358 C SER B 60 31.491 61.380 24.216 1.00 19.71 C ATOM 1359 O SER B 60 32.683 61.534 23.952 1.00 19.19 O ATOM 1360 CB SER B 60 30.171 63.010 25.529 1.00 18.15 C ATOM 1361 OG SER B 60 30.975 64.035 24.987 1.00 20.08 O ATOM 0 H SER B 60 32.397 62.624 26.627 1.00 20.03 H new ATOM 0 HA SER B 60 30.378 61.006 25.912 1.00 19.08 H new ATOM 0 HB2 SER B 60 29.379 62.886 24.983 1.00 18.15 H new ATOM 0 HB3 SER B 60 29.868 63.260 26.416 1.00 18.15 H new ATOM 0 HG SER B 60 31.626 64.181 25.498 1.00 20.08 H new ATOM 1362 N SER B 61 30.587 60.987 23.321 1.00 22.95 N ATOM 1363 CA SER B 61 30.934 60.640 21.937 1.00 22.14 C ATOM 1364 C SER B 61 31.507 61.844 21.174 1.00 20.49 C ATOM 1365 O SER B 61 32.035 61.703 20.075 1.00 19.04 O ATOM 1366 CB SER B 61 29.705 60.103 21.215 1.00 20.65 C ATOM 1367 OG SER B 61 28.715 61.111 21.108 1.00 24.32 O ATOM 0 H SER B 61 29.749 60.913 23.498 1.00 22.95 H new ATOM 0 HA SER B 61 31.621 59.956 21.966 1.00 22.14 H new ATOM 0 HB2 SER B 61 29.953 59.790 20.331 1.00 20.65 H new ATOM 0 HB3 SER B 61 29.348 59.340 21.696 1.00 20.65 H new ATOM 0 HG SER B 61 28.015 60.858 21.497 1.00 24.32 H new ATOM 1368 N THR B 62 31.358 63.028 21.751 1.00 18.38 N ATOM 1369 CA THR B 62 31.889 64.238 21.160 1.00 23.18 C ATOM 1370 C THR B 62 33.310 64.531 21.658 1.00 24.72 C ATOM 1371 O THR B 62 34.110 65.146 20.938 1.00 26.24 O ATOM 1372 CB THR B 62 30.959 65.440 21.401 1.00 24.69 C ATOM 1373 OG1 THR B 62 30.416 65.380 22.723 1.00 26.20 O ATOM 1374 CG2 THR B 62 29.815 65.412 20.399 1.00 28.30 C ATOM 0 H THR B 62 30.946 63.149 22.496 1.00 18.38 H new ATOM 0 HA THR B 62 31.937 64.091 20.202 1.00 23.18 H new ATOM 0 HB THR B 62 31.471 66.257 21.295 1.00 24.69 H new ATOM 0 HG1 THR B 62 30.958 64.989 23.231 1.00 26.20 H new ATOM 0 HG21 THR B 62 29.231 66.171 20.553 1.00 28.30 H new ATOM 0 HG22 THR B 62 30.172 65.458 19.498 1.00 28.30 H new ATOM 0 HG23 THR B 62 29.311 64.590 20.505 1.00 28.30 H new ATOM 1375 N ASP B 63 33.631 64.107 22.882 1.00 23.64 N ATOM 1376 CA ASP B 63 34.985 64.304 23.401 1.00 20.09 C ATOM 1377 C ASP B 63 35.840 63.180 22.838 1.00 17.94 C ATOM 1378 O ASP B 63 36.995 63.360 22.496 1.00 21.89 O ATOM 1379 CB ASP B 63 35.018 64.187 24.916 1.00 22.09 C ATOM 1380 CG ASP B 63 34.131 65.188 25.599 1.00 28.13 C ATOM 1381 OD1 ASP B 63 34.351 66.400 25.425 1.00 33.33 O ATOM 1382 OD2 ASP B 63 33.220 64.766 26.340 1.00 32.98 O ATOM 0 H ASP B 63 33.090 63.710 23.419 1.00 23.64 H new ATOM 0 HA ASP B 63 35.301 65.186 23.149 1.00 20.09 H new ATOM 0 HB2 ASP B 63 34.746 63.292 25.173 1.00 22.09 H new ATOM 0 HB3 ASP B 63 35.930 64.306 25.225 1.00 22.09 H new ATOM 1383 N LEU B 64 35.237 62.012 22.730 1.00 16.95 N ATOM 1384 CA LEU B 64 35.910 60.812 22.254 1.00 18.40 C ATOM 1385 C LEU B 64 35.166 60.228 21.029 1.00 16.18 C ATOM 1386 O LEU B 64 34.538 59.178 21.139 1.00 16.89 O ATOM 1387 CB LEU B 64 35.926 59.798 23.426 1.00 16.22 C ATOM 1388 CG LEU B 64 36.569 60.344 24.716 1.00 17.74 C ATOM 1389 CD1 LEU B 64 36.055 59.673 25.973 1.00 20.98 C ATOM 1390 CD2 LEU B 64 38.066 60.188 24.620 1.00 17.05 C ATOM 0 H LEU B 64 34.411 61.888 22.934 1.00 16.95 H new ATOM 0 HA LEU B 64 36.816 61.013 21.971 1.00 18.40 H new ATOM 0 HB2 LEU B 64 35.015 59.526 23.619 1.00 16.22 H new ATOM 0 HB3 LEU B 64 36.406 59.003 23.147 1.00 16.22 H new ATOM 0 HG LEU B 64 36.324 61.280 24.790 1.00 17.74 H new ATOM 0 HD11 LEU B 64 36.494 60.057 26.748 1.00 20.98 H new ATOM 0 HD12 LEU B 64 35.097 59.809 26.044 1.00 20.98 H new ATOM 0 HD13 LEU B 64 36.244 58.722 25.933 1.00 20.98 H new ATOM 0 HD21 LEU B 64 38.480 60.529 25.428 1.00 17.05 H new ATOM 0 HD22 LEU B 64 38.288 59.249 24.515 1.00 17.05 H new ATOM 0 HD23 LEU B 64 38.395 60.685 23.854 1.00 17.05 H new ATOM 1391 N PRO B 65 35.261 60.881 19.849 1.00 16.42 N ATOM 1392 CA PRO B 65 34.607 60.461 18.592 1.00 16.29 C ATOM 1393 C PRO B 65 34.810 59.001 18.180 1.00 16.23 C ATOM 1394 O PRO B 65 35.933 58.559 17.952 1.00 18.65 O ATOM 1395 CB PRO B 65 35.209 61.408 17.560 1.00 13.59 C ATOM 1396 CG PRO B 65 35.488 62.632 18.367 1.00 14.21 C ATOM 1397 CD PRO B 65 36.099 62.070 19.615 1.00 14.17 C ATOM 0 HA PRO B 65 33.643 60.509 18.687 1.00 16.29 H new ATOM 0 HB2 PRO B 65 36.017 61.045 17.164 1.00 13.59 H new ATOM 0 HB3 PRO B 65 34.593 61.588 16.833 1.00 13.59 H new ATOM 0 HG2 PRO B 65 36.094 63.235 17.909 1.00 14.21 H new ATOM 0 HG3 PRO B 65 34.678 63.132 18.555 1.00 14.21 H new ATOM 0 HD2 PRO B 65 37.033 61.839 19.491 1.00 14.17 H new ATOM 0 HD3 PRO B 65 36.058 62.696 20.355 1.00 14.17 H new ATOM 1398 N GLY B 66 33.717 58.253 18.106 1.00 17.39 N ATOM 1399 CA GLY B 66 33.796 56.857 17.731 1.00 17.32 C ATOM 1400 C GLY B 66 34.248 55.905 18.821 1.00 21.33 C ATOM 1401 O GLY B 66 34.325 54.696 18.600 1.00 24.36 O ATOM 0 H GLY B 66 32.922 58.538 18.270 1.00 17.39 H new ATOM 0 HA2 GLY B 66 32.922 56.573 17.419 1.00 17.32 H new ATOM 0 HA3 GLY B 66 34.405 56.775 16.981 1.00 17.32 H new ATOM 1402 N GLN B 67 34.572 56.423 19.996 1.00 21.22 N ATOM 1403 CA GLN B 67 35.015 55.568 21.085 1.00 22.42 C ATOM 1404 C GLN B 67 33.857 55.200 21.974 1.00 21.61 C ATOM 1405 O GLN B 67 33.970 54.279 22.770 1.00 23.20 O ATOM 1406 CB GLN B 67 36.012 56.306 21.968 1.00 29.77 C ATOM 1407 CG GLN B 67 37.152 56.937 21.220 1.00 35.34 C ATOM 1408 CD GLN B 67 38.179 55.931 20.884 1.00 37.80 C ATOM 1409 OE1 GLN B 67 38.980 55.551 21.746 1.00 39.87 O ATOM 1410 NE2 GLN B 67 38.152 55.435 19.640 1.00 39.81 N ATOM 0 H GLN B 67 34.543 57.262 20.183 1.00 21.22 H new ATOM 0 HA GLN B 67 35.414 54.780 20.684 1.00 22.42 H new ATOM 0 HB2 GLN B 67 35.542 56.996 22.462 1.00 29.77 H new ATOM 0 HB3 GLN B 67 36.372 55.685 22.621 1.00 29.77 H new ATOM 0 HG2 GLN B 67 36.821 57.352 20.408 1.00 35.34 H new ATOM 0 HG3 GLN B 67 37.547 57.641 21.758 1.00 35.34 H new ATOM 0 HE21 GLN B 67 37.577 55.729 19.072 1.00 39.81 H new ATOM 0 HE22 GLN B 67 38.710 54.822 19.409 1.00 39.81 H new ATOM 1411 N THR B 68 32.767 55.953 21.888 1.00 21.23 N ATOM 1412 CA THR B 68 31.614 55.718 22.749 1.00 19.10 C ATOM 1413 C THR B 68 30.329 56.297 22.153 1.00 20.64 C ATOM 1414 O THR B 68 30.371 57.116 21.233 1.00 19.33 O ATOM 1415 CB THR B 68 31.875 56.365 24.131 1.00 18.43 C ATOM 1416 OG1 THR B 68 30.709 56.271 24.959 1.00 12.89 O ATOM 1417 CG2 THR B 68 32.286 57.825 23.965 1.00 14.72 C ATOM 0 H THR B 68 32.674 56.606 21.337 1.00 21.23 H new ATOM 0 HA THR B 68 31.494 54.759 22.836 1.00 19.10 H new ATOM 0 HB THR B 68 32.599 55.884 24.561 1.00 18.43 H new ATOM 0 HG1 THR B 68 30.787 55.616 25.480 1.00 12.89 H new ATOM 0 HG21 THR B 68 32.446 58.217 24.837 1.00 14.72 H new ATOM 0 HG22 THR B 68 33.097 57.875 23.435 1.00 14.72 H new ATOM 0 HG23 THR B 68 31.577 58.312 23.517 1.00 14.72 H new ATOM 1418 N GLU B 69 29.190 55.876 22.696 1.00 20.14 N ATOM 1419 CA GLU B 69 27.891 56.352 22.240 1.00 19.95 C ATOM 1420 C GLU B 69 27.216 57.228 23.297 1.00 20.92 C ATOM 1421 O GLU B 69 26.127 57.771 23.070 1.00 23.99 O ATOM 1422 CB GLU B 69 26.988 55.171 21.874 1.00 22.62 C ATOM 1423 CG GLU B 69 27.460 54.361 20.679 1.00 26.37 C ATOM 1424 CD GLU B 69 26.673 53.066 20.475 1.00 35.26 C ATOM 1425 OE1 GLU B 69 25.499 52.949 20.915 1.00 35.36 O ATOM 1426 OE2 GLU B 69 27.236 52.150 19.843 1.00 41.54 O ATOM 0 H GLU B 69 29.150 55.306 23.339 1.00 20.14 H new ATOM 0 HA GLU B 69 28.035 56.895 21.449 1.00 19.95 H new ATOM 0 HB2 GLU B 69 26.918 54.582 22.642 1.00 22.62 H new ATOM 0 HB3 GLU B 69 26.096 55.506 21.691 1.00 22.62 H new ATOM 0 HG2 GLU B 69 27.388 54.905 19.879 1.00 26.37 H new ATOM 0 HG3 GLU B 69 28.399 54.147 20.793 1.00 26.37 H new ATOM 1427 N ALA B 70 27.861 57.380 24.447 1.00 18.36 N ATOM 1428 CA ALA B 70 27.312 58.194 25.514 1.00 15.67 C ATOM 1429 C ALA B 70 27.139 59.653 25.081 1.00 17.07 C ATOM 1430 O ALA B 70 28.110 60.326 24.750 1.00 19.82 O ATOM 1431 CB ALA B 70 28.202 58.109 26.700 1.00 12.25 C ATOM 0 H ALA B 70 28.620 57.018 24.627 1.00 18.36 H new ATOM 0 HA ALA B 70 26.432 57.854 25.738 1.00 15.67 H new ATOM 0 HB1 ALA B 70 27.839 58.652 27.417 1.00 12.25 H new ATOM 0 HB2 ALA B 70 28.263 57.186 26.993 1.00 12.25 H new ATOM 0 HB3 ALA B 70 29.086 58.433 26.465 1.00 12.25 H new ATOM 1432 N LYS B 71 25.900 60.125 25.027 1.00 19.02 N ATOM 1433 CA LYS B 71 25.620 61.512 24.644 1.00 23.15 C ATOM 1434 C LYS B 71 26.045 62.505 25.730 1.00 25.94 C ATOM 1435 O LYS B 71 25.916 62.228 26.927 1.00 27.19 O ATOM 1436 CB LYS B 71 24.128 61.728 24.397 1.00 22.28 C ATOM 1437 CG LYS B 71 23.592 61.078 23.174 1.00 23.62 C ATOM 1438 CD LYS B 71 22.246 61.685 22.846 1.00 28.89 C ATOM 1439 CE LYS B 71 21.696 61.108 21.562 1.00 34.83 C ATOM 1440 NZ LYS B 71 22.741 61.085 20.498 1.00 39.28 N ATOM 0 H LYS B 71 25.201 59.659 25.209 1.00 19.02 H new ATOM 0 HA LYS B 71 26.129 61.669 23.834 1.00 23.15 H new ATOM 0 HB2 LYS B 71 23.636 61.397 25.165 1.00 22.28 H new ATOM 0 HB3 LYS B 71 23.958 62.681 24.341 1.00 22.28 H new ATOM 0 HG2 LYS B 71 24.205 61.201 22.433 1.00 23.62 H new ATOM 0 HG3 LYS B 71 23.504 60.122 23.313 1.00 23.62 H new ATOM 0 HD2 LYS B 71 21.625 61.518 23.573 1.00 28.89 H new ATOM 0 HD3 LYS B 71 22.332 62.648 22.762 1.00 28.89 H new ATOM 0 HE2 LYS B 71 21.371 60.208 21.721 1.00 34.83 H new ATOM 0 HE3 LYS B 71 20.938 61.635 21.265 1.00 34.83 H new ATOM 0 HZ1 LYS B 71 22.371 60.853 19.723 1.00 39.28 H new ATOM 0 HZ2 LYS B 71 23.105 61.893 20.422 1.00 39.28 H new ATOM 0 HZ3 LYS B 71 23.372 60.495 20.714 1.00 39.28 H new ATOM 1441 N ALA B 72 26.476 63.690 25.305 1.00 26.48 N ATOM 1442 CA ALA B 72 26.899 64.740 26.221 1.00 25.45 C ATOM 1443 C ALA B 72 25.712 65.246 27.047 1.00 27.56 C ATOM 1444 O ALA B 72 25.892 65.952 28.058 1.00 29.31 O ATOM 1445 CB ALA B 72 27.510 65.873 25.438 1.00 30.04 C ATOM 0 H ALA B 72 26.531 63.906 24.474 1.00 26.48 H new ATOM 0 HA ALA B 72 27.560 64.378 26.832 1.00 25.45 H new ATOM 0 HB1 ALA B 72 27.792 66.573 26.048 1.00 30.04 H new ATOM 0 HB2 ALA B 72 28.278 65.547 24.943 1.00 30.04 H new ATOM 0 HB3 ALA B 72 26.854 66.229 24.819 1.00 30.04 H new ATOM 1446 N ALA B 73 24.500 64.891 26.614 1.00 24.83 N ATOM 1447 CA ALA B 73 23.280 65.285 27.312 1.00 23.28 C ATOM 1448 C ALA B 73 23.320 64.719 28.726 1.00 23.61 C ATOM 1449 O ALA B 73 22.842 65.343 29.664 1.00 25.62 O ATOM 1450 CB ALA B 73 22.056 64.777 26.563 1.00 20.14 C ATOM 0 H ALA B 73 24.365 64.417 25.909 1.00 24.83 H new ATOM 0 HA ALA B 73 23.223 66.252 27.354 1.00 23.28 H new ATOM 0 HB1 ALA B 73 21.253 65.045 27.036 1.00 20.14 H new ATOM 0 HB2 ALA B 73 22.045 65.153 25.669 1.00 20.14 H new ATOM 0 HB3 ALA B 73 22.090 63.809 26.506 1.00 20.14 H new ATOM 1451 N ILE B 74 23.919 63.542 28.865 1.00 24.00 N ATOM 1452 CA ILE B 74 24.058 62.855 30.148 1.00 23.73 C ATOM 1453 C ILE B 74 24.544 63.811 31.240 1.00 25.38 C ATOM 1454 O ILE B 74 23.888 64.003 32.269 1.00 24.97 O ATOM 1455 CB ILE B 74 25.082 61.663 30.028 1.00 17.41 C ATOM 1456 CG1 ILE B 74 24.469 60.530 29.214 1.00 17.89 C ATOM 1457 CG2 ILE B 74 25.531 61.164 31.410 1.00 14.71 C ATOM 1458 CD1 ILE B 74 25.434 59.412 28.922 1.00 20.12 C ATOM 0 H ILE B 74 24.263 63.111 28.205 1.00 24.00 H new ATOM 0 HA ILE B 74 23.182 62.515 30.389 1.00 23.73 H new ATOM 0 HB ILE B 74 25.872 61.988 29.569 1.00 17.41 H new ATOM 0 HG12 ILE B 74 23.706 60.172 29.694 1.00 17.89 H new ATOM 0 HG13 ILE B 74 24.135 60.887 28.376 1.00 17.89 H new ATOM 0 HG21 ILE B 74 26.159 60.433 31.302 1.00 14.71 H new ATOM 0 HG22 ILE B 74 25.959 61.888 31.892 1.00 14.71 H new ATOM 0 HG23 ILE B 74 24.759 60.856 31.909 1.00 14.71 H new ATOM 0 HD11 ILE B 74 24.986 58.725 28.404 1.00 20.12 H new ATOM 0 HD12 ILE B 74 26.187 59.758 28.418 1.00 20.12 H new ATOM 0 HD13 ILE B 74 25.751 59.032 29.756 1.00 20.12 H new ATOM 1459 N TRP B 75 25.683 64.438 30.979 1.00 26.52 N ATOM 1460 CA TRP B 75 26.300 65.332 31.935 1.00 24.49 C ATOM 1461 C TRP B 75 25.506 66.602 32.175 1.00 26.89 C ATOM 1462 O TRP B 75 25.769 67.336 33.129 1.00 28.32 O ATOM 1463 CB TRP B 75 27.741 65.592 31.515 1.00 24.68 C ATOM 1464 CG TRP B 75 28.602 64.335 31.623 1.00 26.21 C ATOM 1465 CD1 TRP B 75 29.323 63.928 32.714 1.00 28.79 C ATOM 1466 CD2 TRP B 75 28.772 63.303 30.630 1.00 25.13 C ATOM 1467 NE1 TRP B 75 29.920 62.710 32.466 1.00 30.18 N ATOM 1468 CE2 TRP B 75 29.597 62.306 31.199 1.00 26.84 C ATOM 1469 CE3 TRP B 75 28.302 63.129 29.323 1.00 26.02 C ATOM 1470 CZ2 TRP B 75 29.958 61.151 30.513 1.00 25.36 C ATOM 1471 CZ3 TRP B 75 28.661 61.976 28.637 1.00 26.26 C ATOM 1472 CH2 TRP B 75 29.479 61.004 29.235 1.00 29.82 C ATOM 0 H TRP B 75 26.117 64.355 30.241 1.00 26.52 H new ATOM 0 HA TRP B 75 26.304 64.897 32.802 1.00 24.49 H new ATOM 0 HB2 TRP B 75 27.757 65.917 30.601 1.00 24.68 H new ATOM 0 HB3 TRP B 75 28.119 66.291 32.072 1.00 24.68 H new ATOM 0 HD1 TRP B 75 29.399 64.405 33.509 1.00 28.79 H new ATOM 0 HE1 TRP B 75 30.415 62.275 33.018 1.00 30.18 H new ATOM 0 HE3 TRP B 75 27.761 63.771 28.923 1.00 26.02 H new ATOM 0 HZ2 TRP B 75 30.501 60.505 30.904 1.00 25.36 H new ATOM 0 HZ3 TRP B 75 28.355 61.846 27.768 1.00 26.26 H new ATOM 0 HH2 TRP B 75 29.702 60.241 28.753 1.00 29.82 H new ATOM 1473 N ALA B 76 24.503 66.828 31.332 1.00 29.46 N ATOM 1474 CA ALA B 76 23.625 67.988 31.447 1.00 31.51 C ATOM 1475 C ALA B 76 22.333 67.632 32.189 1.00 33.22 C ATOM 1476 O ALA B 76 21.594 68.530 32.611 1.00 32.26 O ATOM 1477 CB ALA B 76 23.294 68.539 30.062 1.00 30.71 C ATOM 0 H ALA B 76 24.312 66.309 30.673 1.00 29.46 H new ATOM 0 HA ALA B 76 24.092 68.667 31.958 1.00 31.51 H new ATOM 0 HB1 ALA B 76 22.711 69.309 30.151 1.00 30.71 H new ATOM 0 HB2 ALA B 76 24.113 68.804 29.615 1.00 30.71 H new ATOM 0 HB3 ALA B 76 22.848 67.854 29.539 1.00 30.71 H new ATOM 1478 N ASN B 77 22.078 66.326 32.341 1.00 35.68 N ATOM 1479 CA ASN B 77 20.877 65.795 33.008 1.00 37.77 C ATOM 1480 C ASN B 77 21.252 64.653 33.958 1.00 38.48 C ATOM 1481 O ASN B 77 20.553 63.632 34.031 1.00 35.99 O ATOM 1482 CB ASN B 77 19.908 65.235 31.966 1.00 38.73 C ATOM 1483 CG ASN B 77 19.552 66.238 30.897 1.00 41.11 C ATOM 1484 OD1 ASN B 77 18.541 66.925 30.999 1.00 46.87 O ATOM 1485 ND2 ASN B 77 20.361 66.307 29.851 1.00 38.13 N ATOM 0 H ASN B 77 22.608 65.712 32.054 1.00 35.68 H new ATOM 0 HA ASN B 77 20.465 66.520 33.504 1.00 37.77 H new ATOM 0 HB2 ASN B 77 20.304 64.453 31.550 1.00 38.73 H new ATOM 0 HB3 ASN B 77 19.097 64.941 32.410 1.00 38.73 H new ATOM 0 HD21 ASN B 77 20.186 66.850 29.207 1.00 38.13 H new ATOM 0 HD22 ASN B 77 21.061 65.809 29.815 1.00 38.13 H new ATOM 1486 N MET B 78 22.316 64.858 34.726 1.00 38.51 N ATOM 1487 CA MET B 78 22.833 63.841 35.639 1.00 39.68 C ATOM 1488 C MET B 78 21.865 63.180 36.616 1.00 39.67 C ATOM 1489 O MET B 78 21.981 61.984 36.883 1.00 42.47 O ATOM 1490 CB MET B 78 24.048 64.371 36.397 1.00 38.67 C ATOM 1491 CG MET B 78 24.956 63.276 36.846 1.00 42.68 C ATOM 1492 SD MET B 78 25.444 62.288 35.421 1.00 47.29 S ATOM 1493 CE MET B 78 26.741 63.276 34.817 1.00 48.04 C ATOM 0 H MET B 78 22.761 65.594 34.733 1.00 38.51 H new ATOM 0 HA MET B 78 23.061 63.119 35.033 1.00 39.68 H new ATOM 0 HB2 MET B 78 24.540 64.983 35.828 1.00 38.67 H new ATOM 0 HB3 MET B 78 23.750 64.878 37.168 1.00 38.67 H new ATOM 0 HG2 MET B 78 25.740 63.649 37.279 1.00 42.68 H new ATOM 0 HG3 MET B 78 24.508 62.719 37.502 1.00 42.68 H new ATOM 0 HE1 MET B 78 26.815 63.162 33.857 1.00 48.04 H new ATOM 0 HE2 MET B 78 26.560 64.207 35.019 1.00 48.04 H new ATOM 0 HE3 MET B 78 27.573 63.011 35.238 1.00 48.04 H new ATOM 1494 N ASP B 79 20.933 63.940 37.179 1.00 38.30 N ATOM 1495 CA ASP B 79 19.984 63.348 38.114 1.00 36.28 C ATOM 1496 C ASP B 79 18.956 62.451 37.427 1.00 32.68 C ATOM 1497 O ASP B 79 18.511 61.470 38.001 1.00 34.32 O ATOM 1498 CB ASP B 79 19.294 64.426 38.954 1.00 43.00 C ATOM 1499 CG ASP B 79 20.109 64.824 40.181 1.00 46.22 C ATOM 1500 OD1 ASP B 79 20.552 63.917 40.925 1.00 50.69 O ATOM 1501 OD2 ASP B 79 20.299 66.038 40.408 1.00 47.90 O ATOM 0 H ASP B 79 20.833 64.782 37.038 1.00 38.30 H new ATOM 0 HA ASP B 79 20.499 62.778 38.706 1.00 36.28 H new ATOM 0 HB2 ASP B 79 19.139 65.210 38.404 1.00 43.00 H new ATOM 0 HB3 ASP B 79 18.425 64.103 39.238 1.00 43.00 H new ATOM 1502 N ASP B 80 18.578 62.792 36.201 1.00 27.76 N ATOM 1503 CA ASP B 80 17.621 62.002 35.443 1.00 21.90 C ATOM 1504 C ASP B 80 18.322 60.740 34.963 1.00 19.85 C ATOM 1505 O ASP B 80 17.712 59.694 34.810 1.00 24.16 O ATOM 1506 CB ASP B 80 17.117 62.796 34.249 1.00 18.99 C ATOM 1507 CG ASP B 80 16.076 62.050 33.464 1.00 23.67 C ATOM 1508 OD1 ASP B 80 14.967 61.876 34.000 1.00 30.92 O ATOM 1509 OD2 ASP B 80 16.347 61.631 32.317 1.00 21.61 O ATOM 0 H ASP B 80 18.869 63.487 35.787 1.00 27.76 H new ATOM 0 HA ASP B 80 16.862 61.774 36.002 1.00 21.90 H new ATOM 0 HB2 ASP B 80 16.745 63.637 34.557 1.00 18.99 H new ATOM 0 HB3 ASP B 80 17.864 63.011 33.668 1.00 18.99 H new ATOM 1510 N PHE B 81 19.610 60.861 34.690 1.00 19.04 N ATOM 1511 CA PHE B 81 20.414 59.733 34.257 1.00 18.24 C ATOM 1512 C PHE B 81 20.462 58.748 35.441 1.00 19.22 C ATOM 1513 O PHE B 81 20.202 57.546 35.292 1.00 17.40 O ATOM 1514 CB PHE B 81 21.829 60.211 33.884 1.00 14.30 C ATOM 1515 CG PHE B 81 22.691 59.127 33.315 1.00 16.51 C ATOM 1516 CD1 PHE B 81 22.404 58.579 32.083 1.00 9.55 C ATOM 1517 CD2 PHE B 81 23.740 58.600 34.050 1.00 17.67 C ATOM 1518 CE1 PHE B 81 23.136 57.528 31.601 1.00 14.66 C ATOM 1519 CE2 PHE B 81 24.472 57.547 33.567 1.00 12.64 C ATOM 1520 CZ PHE B 81 24.167 57.009 32.343 1.00 13.28 C ATOM 0 H PHE B 81 20.044 61.601 34.751 1.00 19.04 H new ATOM 0 HA PHE B 81 20.037 59.306 33.472 1.00 18.24 H new ATOM 0 HB2 PHE B 81 21.760 60.932 33.239 1.00 14.30 H new ATOM 0 HB3 PHE B 81 22.259 60.576 34.673 1.00 14.30 H new ATOM 0 HD1 PHE B 81 21.707 58.927 31.575 1.00 9.55 H new ATOM 0 HD2 PHE B 81 23.950 58.964 34.880 1.00 17.67 H new ATOM 0 HE1 PHE B 81 22.934 57.165 30.769 1.00 14.66 H new ATOM 0 HE2 PHE B 81 25.174 57.198 34.068 1.00 12.64 H new ATOM 0 HZ PHE B 81 24.660 56.291 32.015 1.00 13.28 H new ATOM 1521 N GLY B 82 20.737 59.293 36.620 1.00 19.38 N ATOM 1522 CA GLY B 82 20.796 58.495 37.826 1.00 23.29 C ATOM 1523 C GLY B 82 19.455 57.866 38.134 1.00 23.94 C ATOM 1524 O GLY B 82 19.382 56.683 38.485 1.00 25.86 O ATOM 0 H GLY B 82 20.893 60.130 36.739 1.00 19.38 H new ATOM 0 HA2 GLY B 82 21.466 57.801 37.725 1.00 23.29 H new ATOM 0 HA3 GLY B 82 21.074 59.051 38.571 1.00 23.29 H new ATOM 1525 N ALA B 83 18.391 58.644 37.983 1.00 21.96 N ATOM 1526 CA ALA B 83 17.044 58.148 38.237 1.00 23.57 C ATOM 1527 C ALA B 83 16.755 56.993 37.278 1.00 21.43 C ATOM 1528 O ALA B 83 16.237 55.969 37.681 1.00 20.16 O ATOM 1529 CB ALA B 83 16.014 59.270 38.054 1.00 20.43 C ATOM 0 H ALA B 83 18.427 59.466 37.733 1.00 21.96 H new ATOM 0 HA ALA B 83 16.981 57.834 39.152 1.00 23.57 H new ATOM 0 HB1 ALA B 83 15.124 58.924 38.226 1.00 20.43 H new ATOM 0 HB2 ALA B 83 16.206 59.990 38.675 1.00 20.43 H new ATOM 0 HB3 ALA B 83 16.059 59.606 37.145 1.00 20.43 H new ATOM 1530 N LYS B 84 17.114 57.153 36.011 1.00 24.60 N ATOM 1531 CA LYS B 84 16.884 56.093 35.031 1.00 26.03 C ATOM 1532 C LYS B 84 17.697 54.849 35.374 1.00 24.02 C ATOM 1533 O LYS B 84 17.281 53.729 35.069 1.00 22.74 O ATOM 1534 CB LYS B 84 17.170 56.582 33.608 1.00 25.99 C ATOM 1535 CG LYS B 84 16.106 57.515 33.115 1.00 25.03 C ATOM 1536 CD LYS B 84 16.264 57.895 31.665 1.00 29.81 C ATOM 1537 CE LYS B 84 14.996 58.596 31.152 1.00 35.32 C ATOM 1538 NZ LYS B 84 14.413 59.562 32.153 1.00 35.67 N ATOM 0 H LYS B 84 17.489 57.860 35.697 1.00 24.60 H new ATOM 0 HA LYS B 84 15.946 55.848 35.067 1.00 26.03 H new ATOM 0 HB2 LYS B 84 18.029 57.032 33.587 1.00 25.99 H new ATOM 0 HB3 LYS B 84 17.234 55.820 33.011 1.00 25.99 H new ATOM 0 HG2 LYS B 84 15.238 57.100 33.240 1.00 25.03 H new ATOM 0 HG3 LYS B 84 16.116 58.320 33.656 1.00 25.03 H new ATOM 0 HD2 LYS B 84 17.029 58.481 31.560 1.00 29.81 H new ATOM 0 HD3 LYS B 84 16.439 57.102 31.134 1.00 29.81 H new ATOM 0 HE2 LYS B 84 15.204 59.072 30.333 1.00 35.32 H new ATOM 0 HE3 LYS B 84 14.330 57.927 30.929 1.00 35.32 H new ATOM 0 HZ1 LYS B 84 13.736 60.004 31.780 1.00 35.67 H new ATOM 0 HZ2 LYS B 84 14.118 59.113 32.863 1.00 35.67 H new ATOM 0 HZ3 LYS B 84 15.040 60.140 32.408 1.00 35.67 H new ATOM 1539 N GLY B 85 18.838 55.052 36.028 1.00 20.47 N ATOM 1540 CA GLY B 85 19.671 53.939 36.449 1.00 21.84 C ATOM 1541 C GLY B 85 19.075 53.189 37.638 1.00 22.05 C ATOM 1542 O GLY B 85 19.159 51.954 37.718 1.00 22.50 O ATOM 0 H GLY B 85 19.145 55.828 36.236 1.00 20.47 H new ATOM 0 HA2 GLY B 85 19.787 53.325 35.707 1.00 21.84 H new ATOM 0 HA3 GLY B 85 20.552 54.268 36.685 1.00 21.84 H new ATOM 1543 N LYS B 86 18.473 53.925 38.572 1.00 23.21 N ATOM 1544 CA LYS B 86 17.850 53.309 39.737 1.00 24.08 C ATOM 1545 C LYS B 86 16.586 52.559 39.325 1.00 21.40 C ATOM 1546 O LYS B 86 16.294 51.490 39.849 1.00 24.40 O ATOM 1547 CB LYS B 86 17.594 54.339 40.858 1.00 29.61 C ATOM 1548 CG LYS B 86 16.128 54.580 41.230 1.00 36.43 C ATOM 1549 CD LYS B 86 15.471 55.527 40.224 1.00 39.36 C ATOM 1550 CE LYS B 86 13.968 55.651 40.370 1.00 37.73 C ATOM 1551 NZ LYS B 86 13.462 56.502 39.257 1.00 37.26 N ATOM 0 H LYS B 86 18.416 54.783 38.548 1.00 23.21 H new ATOM 0 HA LYS B 86 18.466 52.659 40.110 1.00 24.08 H new ATOM 0 HB2 LYS B 86 18.067 54.048 41.653 1.00 29.61 H new ATOM 0 HB3 LYS B 86 17.984 55.186 40.590 1.00 29.61 H new ATOM 0 HG2 LYS B 86 15.650 53.736 41.248 1.00 36.43 H new ATOM 0 HG3 LYS B 86 16.072 54.957 42.122 1.00 36.43 H new ATOM 0 HD2 LYS B 86 15.868 56.407 40.318 1.00 39.36 H new ATOM 0 HD3 LYS B 86 15.673 55.219 39.327 1.00 39.36 H new ATOM 0 HE2 LYS B 86 13.552 54.775 40.343 1.00 37.73 H new ATOM 0 HE3 LYS B 86 13.743 56.045 41.227 1.00 37.73 H new ATOM 0 HZ1 LYS B 86 12.579 56.587 39.326 1.00 37.26 H new ATOM 0 HZ2 LYS B 86 13.841 57.306 39.302 1.00 37.26 H new ATOM 0 HZ3 LYS B 86 13.663 56.122 38.478 1.00 37.26 H new ATOM 1552 N ALA B 87 15.863 53.105 38.354 1.00 19.50 N ATOM 1553 CA ALA B 87 14.667 52.471 37.820 1.00 13.07 C ATOM 1554 C ALA B 87 15.028 51.056 37.356 1.00 13.88 C ATOM 1555 O ALA B 87 14.310 50.098 37.648 1.00 14.13 O ATOM 1556 CB ALA B 87 14.158 53.269 36.660 1.00 9.71 C ATOM 0 H ALA B 87 16.055 53.858 37.985 1.00 19.50 H new ATOM 0 HA ALA B 87 13.979 52.428 38.502 1.00 13.07 H new ATOM 0 HB1 ALA B 87 13.361 52.848 36.302 1.00 9.71 H new ATOM 0 HB2 ALA B 87 13.944 54.168 36.954 1.00 9.71 H new ATOM 0 HB3 ALA B 87 14.839 53.309 35.970 1.00 9.71 H new ATOM 1557 N MET B 88 16.162 50.929 36.656 1.00 16.71 N ATOM 1558 CA MET B 88 16.647 49.632 36.146 1.00 15.99 C ATOM 1559 C MET B 88 17.031 48.681 37.263 1.00 13.26 C ATOM 1560 O MET B 88 16.814 47.477 37.150 1.00 12.94 O ATOM 1561 CB MET B 88 17.841 49.775 35.183 1.00 15.64 C ATOM 1562 CG MET B 88 18.499 48.403 34.901 1.00 18.41 C ATOM 1563 SD MET B 88 20.112 48.396 34.103 1.00 26.15 S ATOM 1564 CE MET B 88 21.191 49.092 35.375 1.00 19.19 C ATOM 0 H MET B 88 16.674 51.592 36.462 1.00 16.71 H new ATOM 0 HA MET B 88 15.896 49.262 35.655 1.00 15.99 H new ATOM 0 HB2 MET B 88 17.542 50.171 34.349 1.00 15.64 H new ATOM 0 HB3 MET B 88 18.497 50.379 35.565 1.00 15.64 H new ATOM 0 HG2 MET B 88 18.582 47.933 35.745 1.00 18.41 H new ATOM 0 HG3 MET B 88 17.890 47.888 34.348 1.00 18.41 H new ATOM 0 HE1 MET B 88 22.105 48.812 35.213 1.00 19.19 H new ATOM 0 HE2 MET B 88 21.141 50.060 35.348 1.00 19.19 H new ATOM 0 HE3 MET B 88 20.907 48.778 36.248 1.00 19.19 H new ATOM 1565 N HIS B 89 17.649 49.205 38.314 1.00 12.77 N ATOM 1566 CA HIS B 89 17.999 48.365 39.428 1.00 16.08 C ATOM 1567 C HIS B 89 16.727 47.808 40.056 1.00 20.69 C ATOM 1568 O HIS B 89 16.606 46.592 40.278 1.00 18.72 O ATOM 1569 CB HIS B 89 18.801 49.141 40.456 1.00 25.97 C ATOM 1570 CG HIS B 89 20.269 49.125 40.190 1.00 30.83 C ATOM 1571 ND1 HIS B 89 20.837 49.792 39.123 1.00 35.40 N ATOM 1572 CD2 HIS B 89 21.282 48.479 40.815 1.00 34.31 C ATOM 1573 CE1 HIS B 89 22.134 49.555 39.101 1.00 37.90 C ATOM 1574 NE2 HIS B 89 22.432 48.762 40.114 1.00 39.03 N ATOM 0 H HIS B 89 17.868 50.033 38.394 1.00 12.77 H new ATOM 0 HA HIS B 89 18.550 47.632 39.112 1.00 16.08 H new ATOM 0 HB2 HIS B 89 18.491 50.060 40.473 1.00 25.97 H new ATOM 0 HB3 HIS B 89 18.634 48.769 41.336 1.00 25.97 H new ATOM 0 HD2 HIS B 89 21.214 47.946 41.574 1.00 34.31 H new ATOM 0 HE1 HIS B 89 22.737 49.890 38.477 1.00 37.90 H new ATOM 0 HE2 HIS B 89 23.218 48.470 40.305 1.00 39.03 H new ATOM 1575 N GLU B 90 15.773 48.701 40.322 1.00 21.70 N ATOM 1576 CA GLU B 90 14.503 48.311 40.903 1.00 19.40 C ATOM 1577 C GLU B 90 13.864 47.253 39.984 1.00 15.15 C ATOM 1578 O GLU B 90 13.500 46.183 40.454 1.00 13.95 O ATOM 1579 CB GLU B 90 13.614 49.551 41.108 1.00 24.65 C ATOM 1580 CG GLU B 90 14.193 50.577 42.135 1.00 37.80 C ATOM 1581 CD GLU B 90 13.607 52.033 42.053 1.00 45.28 C ATOM 1582 OE1 GLU B 90 12.698 52.311 41.229 1.00 49.96 O ATOM 1583 OE2 GLU B 90 14.074 52.911 42.827 1.00 44.57 O ATOM 0 H GLU B 90 15.849 49.544 40.169 1.00 21.70 H new ATOM 0 HA GLU B 90 14.621 47.917 41.781 1.00 19.40 H new ATOM 0 HB2 GLU B 90 13.490 49.995 40.254 1.00 24.65 H new ATOM 0 HB3 GLU B 90 12.737 49.264 41.409 1.00 24.65 H new ATOM 0 HG2 GLU B 90 14.040 50.235 43.030 1.00 37.80 H new ATOM 0 HG3 GLU B 90 15.154 50.626 42.011 1.00 37.80 H new ATOM 1584 N ALA B 91 13.839 47.496 38.673 1.00 15.90 N ATOM 1585 CA ALA B 91 13.260 46.529 37.713 1.00 14.25 C ATOM 1586 C ALA B 91 13.986 45.198 37.740 1.00 14.67 C ATOM 1587 O ALA B 91 13.369 44.151 37.574 1.00 14.37 O ATOM 1588 CB ALA B 91 13.271 47.080 36.293 1.00 12.32 C ATOM 0 H ALA B 91 14.150 48.212 38.312 1.00 15.90 H new ATOM 0 HA ALA B 91 12.342 46.385 37.991 1.00 14.25 H new ATOM 0 HB1 ALA B 91 12.887 46.426 35.689 1.00 12.32 H new ATOM 0 HB2 ALA B 91 12.749 47.897 36.259 1.00 12.32 H new ATOM 0 HB3 ALA B 91 14.184 47.269 36.026 1.00 12.32 H new ATOM 1589 N GLY B 92 15.303 45.248 37.933 1.00 14.65 N ATOM 1590 CA GLY B 92 16.096 44.035 37.987 1.00 12.73 C ATOM 1591 C GLY B 92 15.751 43.116 39.146 1.00 13.45 C ATOM 1592 O GLY B 92 15.659 41.903 38.945 1.00 18.00 O ATOM 0 H GLY B 92 15.751 45.975 38.034 1.00 14.65 H new ATOM 0 HA2 GLY B 92 15.981 43.548 37.156 1.00 12.73 H new ATOM 0 HA3 GLY B 92 17.034 44.276 38.047 1.00 12.73 H new ATOM 1593 N GLY B 93 15.582 43.669 40.350 1.00 9.71 N ATOM 1594 CA GLY B 93 15.256 42.873 41.522 1.00 5.69 C ATOM 1595 C GLY B 93 13.929 42.165 41.334 1.00 11.64 C ATOM 1596 O GLY B 93 13.721 41.040 41.782 1.00 10.63 O ATOM 0 H GLY B 93 15.654 44.512 40.504 1.00 9.71 H new ATOM 0 HA2 GLY B 93 15.956 42.221 41.681 1.00 5.69 H new ATOM 0 HA3 GLY B 93 15.216 43.443 42.306 1.00 5.69 H new ATOM 1597 N ALA B 94 13.027 42.804 40.604 1.00 15.25 N ATOM 1598 CA ALA B 94 11.736 42.203 40.378 1.00 16.65 C ATOM 1599 C ALA B 94 11.915 40.959 39.533 1.00 13.67 C ATOM 1600 O ALA B 94 11.237 39.964 39.741 1.00 19.48 O ATOM 1601 CB ALA B 94 10.774 43.198 39.732 1.00 14.61 C ATOM 0 H ALA B 94 13.144 43.573 40.238 1.00 15.25 H new ATOM 0 HA ALA B 94 11.341 41.949 41.227 1.00 16.65 H new ATOM 0 HB1 ALA B 94 9.914 42.772 39.590 1.00 14.61 H new ATOM 0 HB2 ALA B 94 10.662 43.965 40.315 1.00 14.61 H new ATOM 0 HB3 ALA B 94 11.134 43.490 38.880 1.00 14.61 H new ATOM 1602 N VAL B 95 12.886 40.983 38.632 1.00 14.36 N ATOM 1603 CA VAL B 95 13.138 39.834 37.768 1.00 13.82 C ATOM 1604 C VAL B 95 13.782 38.709 38.570 1.00 14.99 C ATOM 1605 O VAL B 95 13.357 37.560 38.484 1.00 15.87 O ATOM 1606 CB VAL B 95 14.036 40.211 36.562 1.00 13.13 C ATOM 1607 CG1 VAL B 95 14.336 38.964 35.724 1.00 15.69 C ATOM 1608 CG2 VAL B 95 13.348 41.261 35.690 1.00 7.23 C ATOM 0 H VAL B 95 13.411 41.652 38.503 1.00 14.36 H new ATOM 0 HA VAL B 95 12.285 39.533 37.418 1.00 13.82 H new ATOM 0 HB VAL B 95 14.867 40.580 36.900 1.00 13.13 H new ATOM 0 HG11 VAL B 95 14.898 39.207 34.972 1.00 15.69 H new ATOM 0 HG12 VAL B 95 14.796 38.309 36.272 1.00 15.69 H new ATOM 0 HG13 VAL B 95 13.505 38.586 35.397 1.00 15.69 H new ATOM 0 HG21 VAL B 95 13.922 41.486 34.941 1.00 7.23 H new ATOM 0 HG22 VAL B 95 12.508 40.907 35.359 1.00 7.23 H new ATOM 0 HG23 VAL B 95 13.177 42.058 36.216 1.00 7.23 H new ATOM 1609 N ILE B 96 14.777 39.070 39.386 1.00 18.30 N ATOM 1610 CA ILE B 96 15.522 38.128 40.231 1.00 16.39 C ATOM 1611 C ILE B 96 14.530 37.443 41.163 1.00 18.15 C ATOM 1612 O ILE B 96 14.547 36.223 41.300 1.00 18.55 O ATOM 1613 CB ILE B 96 16.636 38.851 41.071 1.00 12.85 C ATOM 1614 CG1 ILE B 96 17.625 39.573 40.152 1.00 11.98 C ATOM 1615 CG2 ILE B 96 17.404 37.847 41.933 1.00 13.67 C ATOM 1616 CD1 ILE B 96 18.623 40.470 40.892 1.00 3.28 C ATOM 0 H ILE B 96 15.043 39.884 39.466 1.00 18.30 H new ATOM 0 HA ILE B 96 15.969 37.480 39.664 1.00 16.39 H new ATOM 0 HB ILE B 96 16.196 39.498 41.644 1.00 12.85 H new ATOM 0 HG12 ILE B 96 18.117 38.913 39.639 1.00 11.98 H new ATOM 0 HG13 ILE B 96 17.128 40.113 39.518 1.00 11.98 H new ATOM 0 HG21 ILE B 96 18.086 38.312 42.443 1.00 13.67 H new ATOM 0 HG22 ILE B 96 16.790 37.407 42.541 1.00 13.67 H new ATOM 0 HG23 ILE B 96 17.824 37.185 41.362 1.00 13.67 H new ATOM 0 HD11 ILE B 96 19.215 40.893 40.251 1.00 3.28 H new ATOM 0 HD12 ILE B 96 18.141 41.152 41.386 1.00 3.28 H new ATOM 0 HD13 ILE B 96 19.145 39.933 41.509 1.00 3.28 H new ATOM 1617 N ALA B 97 13.659 38.256 41.767 1.00 19.28 N ATOM 1618 CA ALA B 97 12.611 37.831 42.679 1.00 13.31 C ATOM 1619 C ALA B 97 11.605 36.915 41.992 1.00 14.16 C ATOM 1620 O ALA B 97 11.132 35.953 42.583 1.00 16.12 O ATOM 1621 CB ALA B 97 11.903 39.044 43.196 1.00 15.95 C ATOM 0 H ALA B 97 13.669 39.107 41.646 1.00 19.28 H new ATOM 0 HA ALA B 97 13.019 37.334 43.405 1.00 13.31 H new ATOM 0 HB1 ALA B 97 11.200 38.773 43.807 1.00 15.95 H new ATOM 0 HB2 ALA B 97 12.535 39.613 43.663 1.00 15.95 H new ATOM 0 HB3 ALA B 97 11.515 39.533 42.454 1.00 15.95 H new ATOM 1622 N ALA B 98 11.278 37.213 40.737 1.00 15.91 N ATOM 1623 CA ALA B 98 10.325 36.404 39.968 1.00 15.33 C ATOM 1624 C ALA B 98 10.894 35.018 39.703 1.00 15.01 C ATOM 1625 O ALA B 98 10.231 33.997 39.986 1.00 20.48 O ATOM 1626 CB ALA B 98 9.970 37.092 38.648 1.00 9.90 C ATOM 0 H ALA B 98 11.598 37.885 40.307 1.00 15.91 H new ATOM 0 HA ALA B 98 9.515 36.312 40.493 1.00 15.33 H new ATOM 0 HB1 ALA B 98 9.340 36.542 38.156 1.00 9.90 H new ATOM 0 HB2 ALA B 98 9.570 37.957 38.831 1.00 9.90 H new ATOM 0 HB3 ALA B 98 10.774 37.214 38.120 1.00 9.90 H new ATOM 1627 N ALA B 99 12.139 34.991 39.223 1.00 7.80 N ATOM 1628 CA ALA B 99 12.840 33.756 38.900 1.00 7.56 C ATOM 1629 C ALA B 99 13.005 32.822 40.085 1.00 9.66 C ATOM 1630 O ALA B 99 12.826 31.618 39.963 1.00 9.62 O ATOM 1631 CB ALA B 99 14.178 34.061 38.305 1.00 4.94 C ATOM 0 H ALA B 99 12.602 35.700 39.076 1.00 7.80 H new ATOM 0 HA ALA B 99 12.284 33.291 38.256 1.00 7.56 H new ATOM 0 HB1 ALA B 99 14.635 33.232 38.094 1.00 4.94 H new ATOM 0 HB2 ALA B 99 14.061 34.580 37.494 1.00 4.94 H new ATOM 0 HB3 ALA B 99 14.707 34.569 38.940 1.00 4.94 H new ATOM 1632 N ASN B 100 13.309 33.379 41.248 1.00 13.42 N ATOM 1633 CA ASN B 100 13.499 32.557 42.431 1.00 12.08 C ATOM 1634 C ASN B 100 12.179 32.024 42.967 1.00 14.81 C ATOM 1635 O ASN B 100 12.134 30.963 43.582 1.00 13.64 O ATOM 1636 CB ASN B 100 14.361 33.296 43.466 1.00 14.92 C ATOM 1637 CG ASN B 100 15.853 33.223 43.119 1.00 15.71 C ATOM 1638 OD1 ASN B 100 16.511 32.224 43.397 1.00 23.69 O ATOM 1639 ND2 ASN B 100 16.368 34.242 42.442 1.00 21.53 N ATOM 0 H ASN B 100 13.409 34.224 41.373 1.00 13.42 H new ATOM 0 HA ASN B 100 13.999 31.762 42.189 1.00 12.08 H new ATOM 0 HB2 ASN B 100 14.085 34.225 43.513 1.00 14.92 H new ATOM 0 HB3 ASN B 100 14.214 32.911 44.344 1.00 14.92 H new ATOM 0 HD21 ASN B 100 17.188 34.216 42.183 1.00 21.53 H new ATOM 0 HD22 ASN B 100 15.882 34.928 42.262 1.00 21.53 H new ATOM 1640 N ALA B 101 11.089 32.703 42.608 1.00 17.56 N ATOM 1641 CA ALA B 101 9.749 32.289 42.989 1.00 13.19 C ATOM 1642 C ALA B 101 9.327 31.185 42.052 1.00 15.66 C ATOM 1643 O ALA B 101 8.313 30.537 42.271 1.00 14.88 O ATOM 1644 CB ALA B 101 8.794 33.423 42.857 1.00 15.23 C ATOM 0 H ALA B 101 11.112 33.420 42.134 1.00 17.56 H new ATOM 0 HA ALA B 101 9.748 31.990 43.912 1.00 13.19 H new ATOM 0 HB1 ALA B 101 7.906 33.130 43.115 1.00 15.23 H new ATOM 0 HB2 ALA B 101 9.074 34.151 43.434 1.00 15.23 H new ATOM 0 HB3 ALA B 101 8.779 33.728 41.936 1.00 15.23 H new ATOM 1645 N GLY B 102 10.074 31.016 40.971 1.00 18.20 N ATOM 1646 CA GLY B 102 9.761 29.980 40.012 1.00 22.48 C ATOM 1647 C GLY B 102 8.499 30.290 39.240 1.00 27.04 C ATOM 1648 O GLY B 102 7.918 29.389 38.628 1.00 29.93 O ATOM 0 H GLY B 102 10.764 31.491 40.778 1.00 18.20 H new ATOM 0 HA2 GLY B 102 10.501 29.878 39.394 1.00 22.48 H new ATOM 0 HA3 GLY B 102 9.658 29.133 40.473 1.00 22.48 H new ATOM 1649 N ASP B 103 8.100 31.564 39.232 1.00 29.37 N ATOM 1650 CA ASP B 103 6.871 32.009 38.555 1.00 26.58 C ATOM 1651 C ASP B 103 7.114 32.478 37.112 1.00 23.99 C ATOM 1652 O ASP B 103 7.676 33.551 36.877 1.00 21.32 O ATOM 1653 CB ASP B 103 6.204 33.122 39.381 1.00 25.04 C ATOM 1654 CG ASP B 103 4.844 33.559 38.821 1.00 30.68 C ATOM 1655 OD1 ASP B 103 4.439 33.114 37.728 1.00 30.60 O ATOM 1656 OD2 ASP B 103 4.162 34.369 39.488 1.00 33.08 O ATOM 0 H ASP B 103 8.533 32.198 39.619 1.00 29.37 H new ATOM 0 HA ASP B 103 6.280 31.242 38.494 1.00 26.58 H new ATOM 0 HB2 ASP B 103 6.087 32.814 40.293 1.00 25.04 H new ATOM 0 HB3 ASP B 103 6.795 33.890 39.414 1.00 25.04 H new ATOM 1657 N GLY B 104 6.628 31.692 36.159 1.00 20.59 N ATOM 1658 CA GLY B 104 6.798 32.022 34.760 1.00 20.66 C ATOM 1659 C GLY B 104 6.182 33.348 34.348 1.00 22.01 C ATOM 1660 O GLY B 104 6.853 34.184 33.756 1.00 25.82 O ATOM 0 H GLY B 104 6.197 30.963 36.306 1.00 20.59 H new ATOM 0 HA2 GLY B 104 7.746 32.041 34.557 1.00 20.66 H new ATOM 0 HA3 GLY B 104 6.407 31.315 34.223 1.00 20.66 H new ATOM 1661 N ALA B 105 4.909 33.551 34.667 1.00 20.53 N ATOM 1662 CA ALA B 105 4.208 34.779 34.316 1.00 15.94 C ATOM 1663 C ALA B 105 4.947 35.978 34.847 1.00 14.57 C ATOM 1664 O ALA B 105 5.282 36.889 34.100 1.00 22.28 O ATOM 1665 CB ALA B 105 2.803 34.761 34.884 1.00 20.83 C ATOM 0 H ALA B 105 4.427 32.980 35.093 1.00 20.53 H new ATOM 0 HA ALA B 105 4.163 34.837 33.349 1.00 15.94 H new ATOM 0 HB1 ALA B 105 2.346 35.583 34.644 1.00 20.83 H new ATOM 0 HB2 ALA B 105 2.317 34.004 34.522 1.00 20.83 H new ATOM 0 HB3 ALA B 105 2.845 34.685 35.850 1.00 20.83 H new ATOM 1666 N ALA B 106 5.175 35.984 36.150 1.00 14.45 N ATOM 1667 CA ALA B 106 5.890 37.058 36.818 1.00 14.44 C ATOM 1668 C ALA B 106 7.219 37.368 36.146 1.00 15.73 C ATOM 1669 O ALA B 106 7.557 38.535 35.948 1.00 19.49 O ATOM 1670 CB ALA B 106 6.133 36.684 38.233 1.00 9.00 C ATOM 0 H ALA B 106 4.916 35.357 36.678 1.00 14.45 H new ATOM 0 HA ALA B 106 5.339 37.854 36.765 1.00 14.44 H new ATOM 0 HB1 ALA B 106 6.610 37.400 38.680 1.00 9.00 H new ATOM 0 HB2 ALA B 106 5.285 36.534 38.679 1.00 9.00 H new ATOM 0 HB3 ALA B 106 6.663 35.872 38.267 1.00 9.00 H new ATOM 1671 N PHE B 107 7.976 36.324 35.815 1.00 17.21 N ATOM 1672 CA PHE B 107 9.266 36.491 35.157 1.00 18.08 C ATOM 1673 C PHE B 107 9.069 37.249 33.848 1.00 19.31 C ATOM 1674 O PHE B 107 9.774 38.222 33.589 1.00 23.05 O ATOM 1675 CB PHE B 107 9.928 35.133 34.911 1.00 16.07 C ATOM 1676 CG PHE B 107 11.364 35.228 34.490 1.00 17.01 C ATOM 1677 CD1 PHE B 107 12.342 35.652 35.391 1.00 15.20 C ATOM 1678 CD2 PHE B 107 11.742 34.909 33.193 1.00 14.61 C ATOM 1679 CE1 PHE B 107 13.676 35.757 35.013 1.00 10.26 C ATOM 1680 CE2 PHE B 107 13.076 35.013 32.805 1.00 16.71 C ATOM 1681 CZ PHE B 107 14.041 35.436 33.721 1.00 16.75 C ATOM 0 H PHE B 107 7.757 35.506 35.965 1.00 17.21 H new ATOM 0 HA PHE B 107 9.856 37.003 35.732 1.00 18.08 H new ATOM 0 HB2 PHE B 107 9.872 34.603 35.722 1.00 16.07 H new ATOM 0 HB3 PHE B 107 9.430 34.659 34.227 1.00 16.07 H new ATOM 0 HD1 PHE B 107 12.097 35.869 36.261 1.00 15.20 H new ATOM 0 HD2 PHE B 107 11.102 34.625 32.581 1.00 14.61 H new ATOM 0 HE1 PHE B 107 14.316 36.041 35.625 1.00 10.26 H new ATOM 0 HE2 PHE B 107 13.324 34.800 31.934 1.00 16.71 H new ATOM 0 HZ PHE B 107 14.931 35.502 33.460 1.00 16.75 H new ATOM 1682 N GLY B 108 8.068 36.845 33.068 1.00 20.00 N ATOM 1683 CA GLY B 108 7.759 37.519 31.811 1.00 21.50 C ATOM 1684 C GLY B 108 7.338 38.990 31.933 1.00 20.71 C ATOM 1685 O GLY B 108 7.769 39.839 31.150 1.00 23.07 O ATOM 0 H GLY B 108 7.555 36.180 33.251 1.00 20.00 H new ATOM 0 HA2 GLY B 108 8.538 37.469 31.236 1.00 21.50 H new ATOM 0 HA3 GLY B 108 7.047 37.031 31.368 1.00 21.50 H new ATOM 1686 N ALA B 109 6.472 39.311 32.885 1.00 20.59 N ATOM 1687 CA ALA B 109 6.042 40.697 33.077 1.00 17.28 C ATOM 1688 C ALA B 109 7.201 41.564 33.578 1.00 20.27 C ATOM 1689 O ALA B 109 7.390 42.712 33.124 1.00 16.54 O ATOM 1690 CB ALA B 109 4.916 40.750 34.063 1.00 17.92 C ATOM 0 H ALA B 109 6.120 38.747 33.430 1.00 20.59 H new ATOM 0 HA ALA B 109 5.743 41.043 32.222 1.00 17.28 H new ATOM 0 HB1 ALA B 109 4.636 41.671 34.186 1.00 17.92 H new ATOM 0 HB2 ALA B 109 4.170 40.227 33.731 1.00 17.92 H new ATOM 0 HB3 ALA B 109 5.212 40.387 34.912 1.00 17.92 H new ATOM 1691 N ALA B 110 7.974 41.012 34.522 1.00 19.75 N ATOM 1692 CA ALA B 110 9.111 41.728 35.088 1.00 15.42 C ATOM 1693 C ALA B 110 10.151 42.020 34.021 1.00 16.98 C ATOM 1694 O ALA B 110 10.673 43.133 33.962 1.00 16.25 O ATOM 1695 CB ALA B 110 9.713 40.954 36.225 1.00 15.40 C ATOM 0 H ALA B 110 7.852 40.224 34.844 1.00 19.75 H new ATOM 0 HA ALA B 110 8.792 42.576 35.435 1.00 15.42 H new ATOM 0 HB1 ALA B 110 10.467 41.445 36.588 1.00 15.40 H new ATOM 0 HB2 ALA B 110 9.047 40.826 36.918 1.00 15.40 H new ATOM 0 HB3 ALA B 110 10.015 40.090 35.904 1.00 15.40 H new ATOM 1696 N LEU B 111 10.413 41.045 33.147 1.00 19.18 N ATOM 1697 CA LEU B 111 11.399 41.209 32.071 1.00 18.80 C ATOM 1698 C LEU B 111 10.963 42.330 31.147 1.00 19.28 C ATOM 1699 O LEU B 111 11.758 43.174 30.745 1.00 18.94 O ATOM 1700 CB LEU B 111 11.556 39.919 31.267 1.00 17.90 C ATOM 1701 CG LEU B 111 12.794 39.931 30.344 1.00 22.97 C ATOM 1702 CD1 LEU B 111 14.081 39.986 31.182 1.00 14.77 C ATOM 1703 CD2 LEU B 111 12.807 38.708 29.424 1.00 14.45 C ATOM 0 H LEU B 111 10.029 40.276 33.159 1.00 19.18 H new ATOM 0 HA LEU B 111 12.255 41.426 32.473 1.00 18.80 H new ATOM 0 HB2 LEU B 111 11.622 39.169 31.878 1.00 17.90 H new ATOM 0 HB3 LEU B 111 10.760 39.779 30.731 1.00 17.90 H new ATOM 0 HG LEU B 111 12.748 40.724 29.787 1.00 22.97 H new ATOM 0 HD11 LEU B 111 14.851 39.993 30.592 1.00 14.77 H new ATOM 0 HD12 LEU B 111 14.081 40.791 31.723 1.00 14.77 H new ATOM 0 HD13 LEU B 111 14.124 39.208 31.760 1.00 14.77 H new ATOM 0 HD21 LEU B 111 13.592 38.739 28.856 1.00 14.45 H new ATOM 0 HD22 LEU B 111 12.828 37.900 29.960 1.00 14.45 H new ATOM 0 HD23 LEU B 111 12.009 38.709 28.872 1.00 14.45 H new ATOM 1704 N GLN B 112 9.676 42.339 30.840 1.00 20.39 N ATOM 1705 CA GLN B 112 9.070 43.353 29.988 1.00 21.61 C ATOM 1706 C GLN B 112 9.339 44.761 30.582 1.00 20.53 C ATOM 1707 O GLN B 112 9.624 45.722 29.847 1.00 19.00 O ATOM 1708 CB GLN B 112 7.571 43.061 29.892 1.00 17.49 C ATOM 1709 CG GLN B 112 6.904 43.452 28.609 1.00 27.46 C ATOM 1710 CD GLN B 112 7.353 42.647 27.393 1.00 30.88 C ATOM 1711 OE1 GLN B 112 7.398 43.169 26.272 1.00 34.92 O ATOM 1712 NE2 GLN B 112 7.648 41.380 27.595 1.00 34.56 N ATOM 0 H GLN B 112 9.120 41.748 31.124 1.00 20.39 H new ATOM 0 HA GLN B 112 9.454 43.333 29.097 1.00 21.61 H new ATOM 0 HB2 GLN B 112 7.436 42.110 30.029 1.00 17.49 H new ATOM 0 HB3 GLN B 112 7.124 43.519 30.621 1.00 17.49 H new ATOM 0 HG2 GLN B 112 5.945 43.352 28.713 1.00 27.46 H new ATOM 0 HG3 GLN B 112 7.075 44.392 28.442 1.00 27.46 H new ATOM 0 HE21 GLN B 112 7.606 41.050 28.388 1.00 34.56 H new ATOM 0 HE22 GLN B 112 7.883 40.882 26.934 1.00 34.56 H new ATOM 1713 N LYS B 113 9.286 44.871 31.908 1.00 19.46 N ATOM 1714 CA LYS B 113 9.549 46.143 32.580 1.00 22.13 C ATOM 1715 C LYS B 113 11.042 46.505 32.539 1.00 23.91 C ATOM 1716 O LYS B 113 11.406 47.620 32.179 1.00 28.86 O ATOM 1717 CB LYS B 113 9.031 46.109 34.023 1.00 26.51 C ATOM 1718 CG LYS B 113 7.500 45.994 34.126 1.00 34.45 C ATOM 1719 CD LYS B 113 7.008 45.680 35.549 1.00 41.04 C ATOM 1720 CE LYS B 113 6.928 44.166 35.804 1.00 45.18 C ATOM 1721 NZ LYS B 113 6.572 43.782 37.209 1.00 44.26 N ATOM 0 H LYS B 113 9.099 44.220 32.438 1.00 19.46 H new ATOM 0 HA LYS B 113 9.070 46.836 32.100 1.00 22.13 H new ATOM 0 HB2 LYS B 113 9.436 45.359 34.486 1.00 26.51 H new ATOM 0 HB3 LYS B 113 9.319 46.914 34.481 1.00 26.51 H new ATOM 0 HG2 LYS B 113 7.099 46.825 33.828 1.00 34.45 H new ATOM 0 HG3 LYS B 113 7.193 45.299 33.524 1.00 34.45 H new ATOM 0 HD2 LYS B 113 7.607 46.086 36.195 1.00 41.04 H new ATOM 0 HD3 LYS B 113 6.134 46.077 35.684 1.00 41.04 H new ATOM 0 HE2 LYS B 113 6.271 43.784 35.201 1.00 45.18 H new ATOM 0 HE3 LYS B 113 7.784 43.768 35.580 1.00 45.18 H new ATOM 0 HZ1 LYS B 113 6.560 42.895 37.281 1.00 44.26 H new ATOM 0 HZ2 LYS B 113 7.176 44.116 37.771 1.00 44.26 H new ATOM 0 HZ3 LYS B 113 5.768 44.107 37.411 1.00 44.26 H new ATOM 1722 N LEU B 114 11.915 45.566 32.894 1.00 22.67 N ATOM 1723 CA LEU B 114 13.349 45.823 32.854 1.00 17.91 C ATOM 1724 C LEU B 114 13.697 46.314 31.438 1.00 14.68 C ATOM 1725 O LEU B 114 14.385 47.320 31.270 1.00 13.37 O ATOM 1726 CB LEU B 114 14.144 44.540 33.185 1.00 14.76 C ATOM 1727 CG LEU B 114 15.684 44.597 33.131 1.00 11.66 C ATOM 1728 CD1 LEU B 114 16.230 45.597 34.149 1.00 9.58 C ATOM 1729 CD2 LEU B 114 16.272 43.229 33.378 1.00 11.92 C ATOM 0 H LEU B 114 11.698 44.777 33.160 1.00 22.67 H new ATOM 0 HA LEU B 114 13.586 46.492 33.515 1.00 17.91 H new ATOM 0 HB2 LEU B 114 13.890 44.257 34.077 1.00 14.76 H new ATOM 0 HB3 LEU B 114 13.852 43.846 32.573 1.00 14.76 H new ATOM 0 HG LEU B 114 15.942 44.893 32.244 1.00 11.66 H new ATOM 0 HD11 LEU B 114 17.198 45.616 34.097 1.00 9.58 H new ATOM 0 HD12 LEU B 114 15.879 46.480 33.956 1.00 9.58 H new ATOM 0 HD13 LEU B 114 15.960 45.331 35.042 1.00 9.58 H new ATOM 0 HD21 LEU B 114 17.240 43.281 33.341 1.00 11.92 H new ATOM 0 HD22 LEU B 114 15.999 42.912 34.253 1.00 11.92 H new ATOM 0 HD23 LEU B 114 15.956 42.613 32.699 1.00 11.92 H new ATOM 1730 N GLY B 115 13.172 45.618 30.435 1.00 10.96 N ATOM 1731 CA GLY B 115 13.418 45.976 29.058 1.00 11.62 C ATOM 1732 C GLY B 115 13.117 47.438 28.809 1.00 14.49 C ATOM 1733 O GLY B 115 13.918 48.146 28.196 1.00 14.45 O ATOM 0 H GLY B 115 12.667 44.930 30.539 1.00 10.96 H new ATOM 0 HA2 GLY B 115 14.343 45.791 28.834 1.00 11.62 H new ATOM 0 HA3 GLY B 115 12.870 45.427 28.476 1.00 11.62 H new ATOM 1734 N GLY B 116 11.997 47.917 29.332 1.00 13.37 N ATOM 1735 CA GLY B 116 11.649 49.309 29.142 1.00 15.80 C ATOM 1736 C GLY B 116 12.608 50.318 29.768 1.00 20.70 C ATOM 1737 O GLY B 116 12.803 51.431 29.236 1.00 19.18 O ATOM 0 H GLY B 116 11.434 47.458 29.793 1.00 13.37 H new ATOM 0 HA2 GLY B 116 11.595 49.486 28.190 1.00 15.80 H new ATOM 0 HA3 GLY B 116 10.763 49.458 29.509 1.00 15.80 H new ATOM 1738 N THR B 117 13.205 49.967 30.907 1.00 21.92 N ATOM 1739 CA THR B 117 14.114 50.906 31.559 1.00 19.87 C ATOM 1740 C THR B 117 15.387 51.070 30.728 1.00 19.42 C ATOM 1741 O THR B 117 16.049 52.108 30.788 1.00 19.28 O ATOM 1742 CB THR B 117 14.446 50.485 33.010 1.00 18.26 C ATOM 1743 OG1 THR B 117 15.219 49.286 33.004 1.00 18.45 O ATOM 1744 CG2 THR B 117 13.176 50.242 33.809 1.00 15.45 C ATOM 0 H THR B 117 13.102 49.213 31.308 1.00 21.92 H new ATOM 0 HA THR B 117 13.663 51.763 31.614 1.00 19.87 H new ATOM 0 HB THR B 117 14.949 51.205 33.422 1.00 18.26 H new ATOM 0 HG1 THR B 117 14.901 48.750 32.440 1.00 18.45 H new ATOM 0 HG21 THR B 117 13.408 49.980 34.714 1.00 15.45 H new ATOM 0 HG22 THR B 117 12.648 51.056 33.834 1.00 15.45 H new ATOM 0 HG23 THR B 117 12.660 49.535 33.390 1.00 15.45 H new ATOM 1745 N CYS B 118 15.716 50.047 29.939 1.00 21.16 N ATOM 1746 CA CYS B 118 16.900 50.086 29.077 1.00 17.56 C ATOM 1747 C CYS B 118 16.598 51.119 28.026 1.00 17.25 C ATOM 1748 O CYS B 118 17.345 52.092 27.867 1.00 19.97 O ATOM 1749 CB CYS B 118 17.138 48.748 28.379 1.00 16.84 C ATOM 1750 SG CYS B 118 17.075 47.281 29.425 1.00 19.36 S ATOM 0 H CYS B 118 15.264 49.317 29.888 1.00 21.16 H new ATOM 0 HA CYS B 118 17.690 50.286 29.603 1.00 17.56 H new ATOM 0 HB2 CYS B 118 16.477 48.649 27.676 1.00 16.84 H new ATOM 0 HB3 CYS B 118 18.007 48.779 27.949 1.00 16.84 H new ATOM 1751 N LYS B 119 15.465 50.912 27.355 1.00 15.83 N ATOM 1752 CA LYS B 119 14.969 51.787 26.312 1.00 17.03 C ATOM 1753 C LYS B 119 14.839 53.247 26.761 1.00 19.84 C ATOM 1754 O LYS B 119 15.340 54.159 26.088 1.00 22.38 O ATOM 1755 CB LYS B 119 13.610 51.292 25.836 1.00 20.00 C ATOM 1756 CG LYS B 119 13.095 52.058 24.644 1.00 22.35 C ATOM 1757 CD LYS B 119 11.581 51.996 24.539 1.00 29.37 C ATOM 1758 CE LYS B 119 11.097 52.874 23.388 1.00 30.88 C ATOM 1759 NZ LYS B 119 11.990 52.717 22.182 1.00 33.32 N ATOM 0 H LYS B 119 14.954 50.237 27.504 1.00 15.83 H new ATOM 0 HA LYS B 119 15.620 51.763 25.594 1.00 17.03 H new ATOM 0 HB2 LYS B 119 13.675 50.351 25.608 1.00 20.00 H new ATOM 0 HB3 LYS B 119 12.971 51.364 26.562 1.00 20.00 H new ATOM 0 HG2 LYS B 119 13.376 52.984 24.709 1.00 22.35 H new ATOM 0 HG3 LYS B 119 13.490 51.698 23.834 1.00 22.35 H new ATOM 0 HD2 LYS B 119 11.297 51.079 24.397 1.00 29.37 H new ATOM 0 HD3 LYS B 119 11.180 52.292 25.371 1.00 29.37 H new ATOM 0 HE2 LYS B 119 10.186 52.635 23.155 1.00 30.88 H new ATOM 0 HE3 LYS B 119 11.084 53.803 23.667 1.00 30.88 H new ATOM 0 HZ1 LYS B 119 11.556 52.988 21.454 1.00 33.32 H new ATOM 0 HZ2 LYS B 119 12.724 53.209 22.290 1.00 33.32 H new ATOM 0 HZ3 LYS B 119 12.218 51.862 22.090 1.00 33.32 H new ATOM 1760 N ALA B 120 14.186 53.471 27.903 1.00 19.44 N ATOM 1761 CA ALA B 120 13.986 54.826 28.443 1.00 19.04 C ATOM 1762 C ALA B 120 15.280 55.644 28.524 1.00 19.47 C ATOM 1763 O ALA B 120 15.287 56.842 28.266 1.00 22.53 O ATOM 1764 CB ALA B 120 13.321 54.760 29.816 1.00 16.13 C ATOM 0 H ALA B 120 13.846 52.847 28.387 1.00 19.44 H new ATOM 0 HA ALA B 120 13.404 55.286 27.818 1.00 19.04 H new ATOM 0 HB1 ALA B 120 13.196 55.659 30.159 1.00 16.13 H new ATOM 0 HB2 ALA B 120 12.459 54.321 29.738 1.00 16.13 H new ATOM 0 HB3 ALA B 120 13.885 54.258 30.425 1.00 16.13 H new ATOM 1765 N CYS B 121 16.371 54.988 28.881 1.00 16.45 N ATOM 1766 CA CYS B 121 17.649 55.665 28.999 1.00 16.53 C ATOM 1767 C CYS B 121 18.343 55.868 27.664 1.00 17.00 C ATOM 1768 O CYS B 121 18.831 56.945 27.356 1.00 19.25 O ATOM 1769 CB CYS B 121 18.577 54.879 29.918 1.00 12.55 C ATOM 1770 SG CYS B 121 19.962 55.854 30.402 1.00 14.39 S ATOM 0 H CYS B 121 16.393 54.147 29.060 1.00 16.45 H new ATOM 0 HA CYS B 121 17.458 56.541 29.368 1.00 16.53 H new ATOM 0 HB2 CYS B 121 18.089 54.591 30.705 1.00 12.55 H new ATOM 0 HB3 CYS B 121 18.884 54.078 29.465 1.00 12.55 H new ATOM 1771 N HIS B 122 18.441 54.794 26.902 1.00 19.86 N ATOM 1772 CA HIS B 122 19.083 54.823 25.604 1.00 20.52 C ATOM 1773 C HIS B 122 18.436 55.869 24.709 1.00 21.64 C ATOM 1774 O HIS B 122 19.119 56.550 23.963 1.00 21.85 O ATOM 1775 CB HIS B 122 18.989 53.440 24.952 1.00 18.01 C ATOM 1776 CG HIS B 122 19.757 52.375 25.680 1.00 16.21 C ATOM 1777 ND1 HIS B 122 19.303 51.088 25.866 1.00 12.55 N ATOM 1778 CD2 HIS B 122 21.002 52.403 26.218 1.00 13.01 C ATOM 1779 CE1 HIS B 122 20.267 50.402 26.475 1.00 13.58 C ATOM 1780 NE2 HIS B 122 21.315 51.164 26.711 1.00 15.36 N ATOM 0 H HIS B 122 18.135 54.022 27.125 1.00 19.86 H new ATOM 0 HA HIS B 122 20.016 55.059 25.722 1.00 20.52 H new ATOM 0 HB2 HIS B 122 18.056 53.178 24.902 1.00 18.01 H new ATOM 0 HB3 HIS B 122 19.317 53.498 24.041 1.00 18.01 H new ATOM 0 HD1 HIS B 122 18.534 50.783 25.631 1.00 12.55 H new ATOM 0 HD2 HIS B 122 21.557 53.148 26.248 1.00 13.01 H new ATOM 0 HE1 HIS B 122 20.208 49.503 26.704 1.00 13.58 H new ATOM 1781 N ASP B 123 17.128 56.049 24.849 1.00 23.18 N ATOM 1782 CA ASP B 123 16.420 57.008 24.017 1.00 23.32 C ATOM 1783 C ASP B 123 16.932 58.416 24.174 1.00 24.46 C ATOM 1784 O ASP B 123 17.185 59.118 23.190 1.00 23.01 O ATOM 1785 CB ASP B 123 14.922 56.953 24.285 1.00 20.30 C ATOM 1786 CG ASP B 123 14.258 55.759 23.618 1.00 24.37 C ATOM 1787 OD1 ASP B 123 14.918 55.042 22.822 1.00 22.15 O ATOM 1788 OD2 ASP B 123 13.067 55.537 23.892 1.00 25.86 O ATOM 0 H ASP B 123 16.636 55.629 25.416 1.00 23.18 H new ATOM 0 HA ASP B 123 16.589 56.750 23.097 1.00 23.32 H new ATOM 0 HB2 ASP B 123 14.768 56.913 25.242 1.00 20.30 H new ATOM 0 HB3 ASP B 123 14.508 57.770 23.966 1.00 20.30 H new ATOM 1789 N ASP B 124 17.133 58.807 25.422 1.00 26.64 N ATOM 1790 CA ASP B 124 17.605 60.142 25.726 1.00 24.33 C ATOM 1791 C ASP B 124 19.094 60.280 25.814 1.00 23.87 C ATOM 1792 O ASP B 124 19.615 61.350 25.544 1.00 28.75 O ATOM 1793 CB ASP B 124 17.041 60.604 27.062 1.00 27.68 C ATOM 1794 CG ASP B 124 15.542 60.696 27.061 1.00 28.70 C ATOM 1795 OD1 ASP B 124 14.936 60.746 25.964 1.00 28.80 O ATOM 1796 OD2 ASP B 124 14.979 60.726 28.176 1.00 33.60 O ATOM 0 H ASP B 124 17.000 58.309 26.111 1.00 26.64 H new ATOM 0 HA ASP B 124 17.300 60.682 24.980 1.00 24.33 H new ATOM 0 HB2 ASP B 124 17.323 59.989 27.757 1.00 27.68 H new ATOM 0 HB3 ASP B 124 17.414 61.472 27.283 1.00 27.68 H new ATOM 1797 N TYR B 125 19.788 59.198 26.150 1.00 24.53 N ATOM 1798 CA TYR B 125 21.217 59.289 26.368 1.00 22.18 C ATOM 1799 C TYR B 125 22.251 58.554 25.560 1.00 23.47 C ATOM 1800 O TYR B 125 23.423 58.606 25.916 1.00 25.45 O ATOM 1801 CB TYR B 125 21.481 59.074 27.849 1.00 24.24 C ATOM 1802 CG TYR B 125 20.665 60.023 28.684 1.00 24.46 C ATOM 1803 CD1 TYR B 125 20.824 61.394 28.543 1.00 23.12 C ATOM 1804 CD2 TYR B 125 19.729 59.557 29.602 1.00 21.45 C ATOM 1805 CE1 TYR B 125 20.082 62.268 29.292 1.00 23.87 C ATOM 1806 CE2 TYR B 125 18.995 60.425 30.351 1.00 21.15 C ATOM 1807 CZ TYR B 125 19.181 61.780 30.192 1.00 21.95 C ATOM 1808 OH TYR B 125 18.506 62.669 30.970 1.00 27.52 O ATOM 0 H TYR B 125 19.452 58.413 26.255 1.00 24.53 H new ATOM 0 HA TYR B 125 21.377 60.173 26.002 1.00 22.18 H new ATOM 0 HB2 TYR B 125 21.267 58.159 28.090 1.00 24.24 H new ATOM 0 HB3 TYR B 125 22.424 59.203 28.035 1.00 24.24 H new ATOM 0 HD1 TYR B 125 21.443 61.724 27.932 1.00 23.12 H new ATOM 0 HD2 TYR B 125 19.603 58.641 29.705 1.00 21.45 H new ATOM 0 HE1 TYR B 125 20.191 63.186 29.188 1.00 23.87 H new ATOM 0 HE2 TYR B 125 18.373 60.106 30.965 1.00 21.15 H new ATOM 0 HH TYR B 125 17.861 62.282 31.344 1.00 27.52 H new ATOM 1809 N ARG B 126 21.867 57.826 24.525 1.00 22.87 N ATOM 1810 CA ARG B 126 22.888 57.178 23.725 1.00 29.33 C ATOM 1811 C ARG B 126 22.514 57.246 22.268 1.00 35.11 C ATOM 1812 O ARG B 126 21.330 57.234 21.914 1.00 35.25 O ATOM 1813 CB ARG B 126 23.174 55.739 24.180 1.00 27.72 C ATOM 1814 CG ARG B 126 22.400 54.650 23.491 1.00 25.31 C ATOM 1815 CD ARG B 126 23.334 53.649 22.853 1.00 23.28 C ATOM 1816 NE ARG B 126 22.963 52.256 23.120 1.00 29.57 N ATOM 1817 CZ ARG B 126 21.779 51.700 22.843 1.00 28.76 C ATOM 1818 NH1 ARG B 126 20.807 52.406 22.281 1.00 30.69 N ATOM 1819 NH2 ARG B 126 21.565 50.418 23.122 1.00 31.13 N ATOM 0 H ARG B 126 21.054 57.697 24.276 1.00 22.87 H new ATOM 0 HA ARG B 126 23.719 57.660 23.855 1.00 29.33 H new ATOM 0 HB2 ARG B 126 24.120 55.564 24.056 1.00 27.72 H new ATOM 0 HB3 ARG B 126 22.997 55.681 25.132 1.00 27.72 H new ATOM 0 HG2 ARG B 126 21.826 54.201 24.131 1.00 25.31 H new ATOM 0 HG3 ARG B 126 21.822 55.036 22.814 1.00 25.31 H new ATOM 0 HD2 ARG B 126 23.348 53.795 21.894 1.00 23.28 H new ATOM 0 HD3 ARG B 126 24.235 53.805 23.177 1.00 23.28 H new ATOM 0 HE ARG B 126 23.558 51.754 23.486 1.00 29.57 H new ATOM 0 HH11 ARG B 126 20.933 53.235 22.089 1.00 30.69 H new ATOM 0 HH12 ARG B 126 20.051 52.035 22.109 1.00 30.69 H new ATOM 0 HH21 ARG B 126 22.188 49.946 23.481 1.00 31.13 H new ATOM 0 HH22 ARG B 126 20.803 50.060 22.944 1.00 31.13 H new ATOM 1820 N GLU B 127 23.525 57.400 21.428 1.00 42.73 N ATOM 1821 CA GLU B 127 23.302 57.479 19.998 1.00 52.18 C ATOM 1822 C GLU B 127 23.715 56.186 19.347 1.00 58.67 C ATOM 1823 O GLU B 127 24.045 55.223 20.030 1.00 62.27 O ATOM 1824 CB GLU B 127 24.100 58.629 19.412 1.00 52.93 C ATOM 1825 CG GLU B 127 25.579 58.603 19.735 1.00 55.00 C ATOM 1826 CD GLU B 127 26.187 59.988 19.647 1.00 58.65 C ATOM 1827 OE1 GLU B 127 25.617 60.907 20.278 1.00 58.89 O ATOM 1828 OE2 GLU B 127 27.216 60.168 18.948 1.00 58.29 O ATOM 0 H GLU B 127 24.349 57.461 21.667 1.00 42.73 H new ATOM 0 HA GLU B 127 22.359 57.633 19.832 1.00 52.18 H new ATOM 0 HB2 GLU B 127 23.992 58.623 18.448 1.00 52.93 H new ATOM 0 HB3 GLU B 127 23.726 59.464 19.735 1.00 52.93 H new ATOM 0 HG2 GLU B 127 25.711 58.246 20.627 1.00 55.00 H new ATOM 0 HG3 GLU B 127 26.036 58.007 19.121 1.00 55.00 H new ATOM 1829 N GLU B 128 23.668 56.168 18.021 1.00 67.44 N ATOM 1830 CA GLU B 128 24.061 55.021 17.207 1.00 73.97 C ATOM 1831 C GLU B 128 23.862 55.402 15.746 1.00 78.06 C ATOM 1832 O GLU B 128 23.168 56.386 15.454 1.00 79.04 O ATOM 1833 CB GLU B 128 23.241 53.776 17.567 1.00 75.04 C ATOM 1834 CG GLU B 128 21.764 54.041 17.855 1.00 76.48 C ATOM 1835 CD GLU B 128 21.240 53.198 19.005 1.00 76.39 C ATOM 1836 OE1 GLU B 128 21.880 52.169 19.338 1.00 75.59 O ATOM 1837 OE2 GLU B 128 20.192 53.575 19.578 1.00 74.75 O ATOM 0 H GLU B 128 23.400 56.840 17.556 1.00 67.44 H new ATOM 0 HA GLU B 128 24.990 54.798 17.373 1.00 73.97 H new ATOM 0 HB2 GLU B 128 23.306 53.140 16.838 1.00 75.04 H new ATOM 0 HB3 GLU B 128 23.639 53.356 18.346 1.00 75.04 H new ATOM 0 HG2 GLU B 128 21.641 54.980 18.063 1.00 76.48 H new ATOM 0 HG3 GLU B 128 21.243 53.856 17.058 1.00 76.48 H new ATOM 1838 N ASP B 129 24.484 54.654 14.839 1.00 82.52 N ATOM 1839 CA ASP B 129 24.366 54.957 13.424 1.00 85.14 C ATOM 1840 C ASP B 129 24.487 53.704 12.554 1.00 85.33 C ATOM 1841 O ASP B 129 23.435 53.255 12.047 1.00 85.36 O ATOM 1842 CB ASP B 129 25.433 55.980 13.031 1.00 88.42 C ATOM 1843 CG ASP B 129 25.135 56.640 11.720 1.00 91.50 C ATOM 1844 OD1 ASP B 129 24.194 57.468 11.697 1.00 93.62 O ATOM 1845 OD2 ASP B 129 25.826 56.323 10.723 1.00 92.54 O ATOM 1846 OXT ASP B 129 25.618 53.197 12.377 1.00 84.93 O ATOM 0 H ASP B 129 24.975 53.972 15.024 1.00 82.52 H new ATOM 0 HA ASP B 129 23.482 55.326 13.270 1.00 85.14 H new ATOM 0 HB2 ASP B 129 25.500 56.656 13.723 1.00 88.42 H new ATOM 0 HB3 ASP B 129 26.296 55.540 12.980 1.00 88.42 H new TER 1847 ASP B 129 HETATM 1848 FE HEM A 130 27.346 17.453 28.435 1.00 15.00 FE HETATM 1849 CHA HEM A 130 24.831 16.841 26.353 1.00 19.89 C HETATM 1850 CHB HEM A 130 27.686 20.616 27.319 1.00 14.25 C HETATM 1851 CHC HEM A 130 29.782 18.096 30.742 1.00 13.60 C HETATM 1852 CHD HEM A 130 27.259 14.188 29.629 1.00 14.41 C HETATM 1853 NA HEM A 130 26.470 18.484 27.092 1.00 15.94 N HETATM 1854 C1A HEM A 130 25.476 18.071 26.222 1.00 18.80 C HETATM 1855 C2A HEM A 130 25.171 19.109 25.294 1.00 19.52 C HETATM 1856 C3A HEM A 130 25.899 20.190 25.669 1.00 18.57 C HETATM 1857 C4A HEM A 130 26.721 19.796 26.751 1.00 17.02 C HETATM 1858 CMA HEM A 130 25.730 21.630 25.201 1.00 17.29 C HETATM 1859 CAA HEM A 130 24.042 19.213 24.350 1.00 26.24 C HETATM 1860 CBA HEM A 130 23.821 18.186 23.270 1.00 42.52 C HETATM 1861 CGA HEM A 130 24.552 18.512 21.982 1.00 48.93 C HETATM 1862 O1A HEM A 130 24.154 19.484 21.294 1.00 51.96 O HETATM 1863 O2A HEM A 130 25.511 17.780 21.649 1.00 55.20 O HETATM 1864 NB HEM A 130 28.410 19.048 28.950 1.00 11.11 N HETATM 1865 C1B HEM A 130 28.454 20.278 28.377 1.00 8.77 C HETATM 1866 C2B HEM A 130 29.473 21.126 28.969 1.00 8.63 C HETATM 1867 C3B HEM A 130 30.114 20.421 29.915 1.00 12.32 C HETATM 1868 C4B HEM A 130 29.405 19.128 29.925 1.00 12.27 C HETATM 1869 CMB HEM A 130 29.943 22.471 28.491 1.00 4.69 C HETATM 1870 CAB HEM A 130 31.325 20.873 30.752 1.00 10.17 C HETATM 1871 CBB HEM A 130 31.083 22.152 31.571 1.00 7.54 C HETATM 1872 NC HEM A 130 28.282 16.396 29.841 1.00 12.08 N HETATM 1873 C1C HEM A 130 29.291 16.822 30.701 1.00 12.71 C HETATM 1874 C2C HEM A 130 29.608 15.848 31.728 1.00 12.13 C HETATM 1875 C3C HEM A 130 28.878 14.745 31.438 1.00 15.40 C HETATM 1876 C4C HEM A 130 28.052 15.106 30.277 1.00 12.75 C HETATM 1877 CMC HEM A 130 30.454 16.028 32.966 1.00 13.92 C HETATM 1878 CAC HEM A 130 28.983 13.283 31.965 1.00 18.34 C HETATM 1879 CBC HEM A 130 29.196 13.097 33.454 1.00 16.11 C HETATM 1880 ND HEM A 130 26.338 15.834 28.046 1.00 17.35 N HETATM 1881 C1D HEM A 130 26.447 14.538 28.573 1.00 16.45 C HETATM 1882 C2D HEM A 130 25.435 13.662 28.076 1.00 17.84 C HETATM 1883 C3D HEM A 130 24.680 14.450 27.225 1.00 22.13 C HETATM 1884 C4D HEM A 130 25.252 15.778 27.186 1.00 20.94 C HETATM 1885 CMD HEM A 130 25.271 12.173 28.417 1.00 16.84 C HETATM 1886 CAD HEM A 130 23.474 14.052 26.391 1.00 24.83 C HETATM 1887 CBD HEM A 130 22.158 14.312 27.098 1.00 27.76 C HETATM 1888 CGD HEM A 130 20.962 14.169 26.176 1.00 32.80 C HETATM 1889 O1D HEM A 130 21.131 14.342 24.945 1.00 29.50 O HETATM 1890 O2D HEM A 130 19.847 13.892 26.687 1.00 33.70 O HETATM 0 HMA1 HEM A 130 25.550 21.642 24.248 1.00 17.29 H new HETATM 0 HMA2 HEM A 130 26.543 22.127 25.382 1.00 17.29 H new HETATM 0 HMA3 HEM A 130 24.989 22.040 25.675 1.00 17.29 H new HETATM 0 HMB1 HEM A 130 30.237 23.000 29.249 1.00 4.69 H new HETATM 0 HMB2 HEM A 130 29.215 22.928 28.042 1.00 4.69 H new HETATM 0 HMB3 HEM A 130 30.681 22.355 27.873 1.00 4.69 H new HETATM 0 HMC1 HEM A 130 31.138 16.694 32.797 1.00 13.92 H new HETATM 0 HMC2 HEM A 130 30.875 15.185 33.196 1.00 13.92 H new HETATM 0 HMC3 HEM A 130 29.893 16.321 33.702 1.00 13.92 H new HETATM 0 HMD1 HEM A 130 26.140 11.787 28.608 1.00 16.84 H new HETATM 0 HMD2 HEM A 130 24.871 11.711 27.664 1.00 16.84 H new HETATM 0 HMD3 HEM A 130 24.699 12.080 29.195 1.00 16.84 H new HETATM 0 HBB1 HEM A 130 31.790 22.512 32.129 1.00 7.54 H new HETATM 0 HBB2 HEM A 130 30.223 22.599 31.530 1.00 7.54 H new HETATM 0 HBC1 HEM A 130 29.267 12.204 33.826 1.00 16.11 H new HETATM 0 HBC2 HEM A 130 29.261 13.871 34.035 1.00 16.11 H new HETATM 0 HBA1 HEM A 130 22.871 18.115 23.088 1.00 42.52 H new HETATM 0 HBA2 HEM A 130 24.113 17.319 23.591 1.00 42.52 H new HETATM 0 HAA1 HEM A 130 24.122 20.073 23.909 1.00 26.24 H new HETATM 0 HAA2 HEM A 130 23.231 19.241 24.882 1.00 26.24 H new HETATM 0 HBD1 HEM A 130 22.168 15.206 27.473 1.00 27.76 H new HETATM 0 HBD2 HEM A 130 22.066 13.694 27.840 1.00 27.76 H new HETATM 0 HAD1 HEM A 130 23.536 13.110 26.169 1.00 24.83 H new HETATM 0 HAD2 HEM A 130 23.489 14.542 25.554 1.00 24.83 H new HETATM 0 HHA HEM A 130 24.060 16.709 25.851 1.00 19.89 H new HETATM 0 HHB HEM A 130 27.813 21.458 26.944 1.00 14.25 H new HETATM 0 HHC HEM A 130 30.431 18.279 31.383 1.00 13.60 H new HETATM 0 HHD HEM A 130 27.271 13.303 29.913 1.00 14.41 H new HETATM 0 HAB HEM A 130 32.168 20.393 30.762 1.00 10.17 H new HETATM 0 HAC HEM A 130 28.915 12.524 31.365 1.00 18.34 H new HETATM 1891 C NBN A 131 25.901 17.975 29.627 1.00 20.27 C HETATM 1892 N NBN A 131 24.992 17.846 30.344 1.00 22.22 N HETATM 1893 C1 NBN A 131 23.907 17.398 31.231 1.00 24.91 C HETATM 1894 C2 NBN A 131 24.402 16.268 32.135 1.00 26.96 C HETATM 1895 C3 NBN A 131 25.497 16.776 33.085 1.00 30.90 C HETATM 1896 C4 NBN A 131 26.110 15.669 33.943 1.00 30.95 C HETATM 0 H43 NBN A 131 25.418 15.259 34.486 1.00 30.95 H new HETATM 0 H42 NBN A 131 26.509 14.997 33.368 1.00 30.95 H new HETATM 0 H41 NBN A 131 26.792 16.047 34.520 1.00 30.95 H new HETATM 0 H32 NBN A 131 26.198 17.200 32.565 1.00 30.90 H new HETATM 0 H31 NBN A 131 25.123 17.458 33.665 1.00 30.90 H new HETATM 0 H22 NBN A 131 23.661 15.910 32.649 1.00 26.96 H new HETATM 0 H21 NBN A 131 24.748 15.542 31.593 1.00 26.96 H new HETATM 0 H12 NBN A 131 23.593 18.140 31.771 1.00 24.91 H new HETATM 0 H11 NBN A 131 23.153 17.093 30.703 1.00 24.91 H new HETATM 1897 FE HEM B 130 22.615 50.555 28.023 1.00 16.79 FE HETATM 1898 CHA HEM B 130 25.077 51.179 25.731 1.00 19.87 C HETATM 1899 CHB HEM B 130 22.458 47.233 26.851 1.00 17.27 C HETATM 1900 CHC HEM B 130 20.228 49.862 30.189 1.00 12.04 C HETATM 1901 CHD HEM B 130 22.833 53.771 29.116 1.00 17.50 C HETATM 1902 NA HEM B 130 23.553 49.440 26.631 1.00 18.81 N HETATM 1903 C1A HEM B 130 24.541 49.882 25.733 1.00 18.59 C HETATM 1904 C2A HEM B 130 24.928 48.832 24.821 1.00 19.49 C HETATM 1905 C3A HEM B 130 24.211 47.727 25.187 1.00 17.82 C HETATM 1906 C4A HEM B 130 23.366 48.100 26.275 1.00 16.81 C HETATM 1907 CMA HEM B 130 24.183 46.368 24.498 1.00 13.75 C HETATM 1908 CAA HEM B 130 25.897 48.932 23.655 1.00 25.50 C HETATM 1909 CBA HEM B 130 25.743 49.981 22.526 1.00 41.77 C HETATM 1910 CGA HEM B 130 24.739 49.595 21.424 1.00 45.99 C HETATM 1911 O1A HEM B 130 24.283 50.498 20.673 1.00 49.33 O HETATM 1912 O2A HEM B 130 24.424 48.392 21.291 1.00 46.09 O HETATM 1913 NB HEM B 130 21.642 48.873 28.449 1.00 15.61 N HETATM 1914 C1B HEM B 130 21.626 47.603 27.856 1.00 16.36 C HETATM 1915 C2B HEM B 130 20.526 46.802 28.345 1.00 14.20 C HETATM 1916 C3B HEM B 130 19.908 47.529 29.311 1.00 16.00 C HETATM 1917 C4B HEM B 130 20.629 48.798 29.381 1.00 12.71 C HETATM 1918 CMB HEM B 130 20.011 45.507 27.777 1.00 14.46 C HETATM 1919 CAB HEM B 130 18.692 47.218 30.222 1.00 15.54 C HETATM 1920 CBB HEM B 130 18.883 46.057 31.166 1.00 10.42 C HETATM 1921 NC HEM B 130 21.715 51.590 29.358 1.00 13.80 N HETATM 1922 C1C HEM B 130 20.657 51.148 30.151 1.00 10.78 C HETATM 1923 C2C HEM B 130 20.185 52.152 31.085 1.00 14.22 C HETATM 1924 C3C HEM B 130 20.982 53.312 30.871 1.00 15.69 C HETATM 1925 C4C HEM B 130 21.924 52.905 29.740 1.00 16.92 C HETATM 1926 CMC HEM B 130 19.045 51.952 32.067 1.00 6.22 C HETATM 1927 CAC HEM B 130 20.865 54.747 31.443 1.00 11.95 C HETATM 1928 CBC HEM B 130 20.414 54.862 32.869 1.00 16.89 C HETATM 1929 ND HEM B 130 23.690 52.159 27.533 1.00 20.83 N HETATM 1930 C1D HEM B 130 23.633 53.440 28.067 1.00 18.63 C HETATM 1931 C2D HEM B 130 24.514 54.349 27.381 1.00 18.85 C HETATM 1932 C3D HEM B 130 25.256 53.588 26.492 1.00 20.52 C HETATM 1933 C4D HEM B 130 24.696 52.241 26.553 1.00 19.40 C HETATM 1934 CMD HEM B 130 24.525 55.874 27.606 1.00 20.15 C HETATM 1935 CAD HEM B 130 26.540 53.969 25.714 1.00 20.64 C HETATM 1936 CBD HEM B 130 27.804 53.530 26.444 1.00 20.19 C HETATM 1937 CGD HEM B 130 29.087 53.790 25.662 1.00 27.36 C HETATM 1938 O1D HEM B 130 29.101 53.591 24.408 1.00 25.09 O HETATM 1939 O2D HEM B 130 30.097 54.173 26.314 1.00 21.81 O HETATM 0 HMA1 HEM B 130 23.910 45.688 25.134 1.00 13.75 H new HETATM 0 HMA2 HEM B 130 25.068 46.158 24.161 1.00 13.75 H new HETATM 0 HMA3 HEM B 130 23.554 46.392 23.760 1.00 13.75 H new HETATM 0 HMB1 HEM B 130 20.163 45.490 26.819 1.00 14.46 H new HETATM 0 HMB2 HEM B 130 19.060 45.431 27.954 1.00 14.46 H new HETATM 0 HMB3 HEM B 130 20.477 44.764 28.191 1.00 14.46 H new HETATM 0 HMC1 HEM B 130 18.407 51.322 31.698 1.00 6.22 H new HETATM 0 HMC2 HEM B 130 18.604 52.801 32.229 1.00 6.22 H new HETATM 0 HMC3 HEM B 130 19.395 51.606 32.903 1.00 6.22 H new HETATM 0 HMD1 HEM B 130 23.636 56.171 27.855 1.00 20.15 H new HETATM 0 HMD2 HEM B 130 24.797 56.320 26.789 1.00 20.15 H new HETATM 0 HMD3 HEM B 130 25.149 56.092 28.316 1.00 20.15 H new HETATM 0 HBB1 HEM B 130 18.168 45.799 31.769 1.00 10.42 H new HETATM 0 HBB2 HEM B 130 19.721 45.568 31.170 1.00 10.42 H new HETATM 0 HBC1 HEM B 130 20.323 55.736 33.280 1.00 16.89 H new HETATM 0 HBC2 HEM B 130 20.214 54.062 33.380 1.00 16.89 H new HETATM 0 HBA1 HEM B 130 26.611 50.130 22.119 1.00 41.77 H new HETATM 0 HBA2 HEM B 130 25.466 50.823 22.919 1.00 41.77 H new HETATM 0 HAA1 HEM B 130 25.903 48.062 23.225 1.00 25.50 H new HETATM 0 HAA2 HEM B 130 26.778 49.066 24.038 1.00 25.50 H new HETATM 0 HBD1 HEM B 130 27.741 52.582 26.641 1.00 20.19 H new HETATM 0 HBD2 HEM B 130 27.854 53.994 27.295 1.00 20.19 H new HETATM 0 HAD1 HEM B 130 26.562 54.929 25.580 1.00 20.64 H new HETATM 0 HAD2 HEM B 130 26.517 53.560 24.835 1.00 20.64 H new HETATM 0 HHA HEM B 130 25.756 51.348 25.119 1.00 19.87 H new HETATM 0 HHB HEM B 130 22.415 46.359 26.536 1.00 17.27 H new HETATM 0 HHC HEM B 130 19.587 49.665 30.834 1.00 12.04 H new HETATM 0 HHD HEM B 130 22.894 54.639 29.445 1.00 17.50 H new HETATM 0 HAB HEM B 130 17.870 47.732 30.187 1.00 15.54 H new HETATM 0 HAC HEM B 130 21.072 55.529 30.908 1.00 11.95 H new HETATM 1940 C NBN B 131 23.909 50.177 29.363 1.00 20.20 C HETATM 1941 N NBN B 131 24.648 50.154 30.242 1.00 23.96 N HETATM 1942 C1 NBN B 131 25.565 50.258 31.402 1.00 29.02 C HETATM 1943 C2 NBN B 131 25.302 51.561 32.159 1.00 35.20 C HETATM 1944 C3 NBN B 131 23.900 51.562 32.795 1.00 39.81 C HETATM 1945 C4 NBN B 131 23.560 52.896 33.468 1.00 41.06 C HETATM 0 H43 NBN B 131 24.205 53.079 34.169 1.00 41.06 H new HETATM 0 H42 NBN B 131 23.589 53.608 32.809 1.00 41.06 H new HETATM 0 H41 NBN B 131 22.671 52.847 33.852 1.00 41.06 H new HETATM 0 H32 NBN B 131 23.238 51.370 32.112 1.00 39.81 H new HETATM 0 H31 NBN B 131 23.845 50.849 33.451 1.00 39.81 H new HETATM 0 H22 NBN B 131 25.973 51.678 32.849 1.00 35.20 H new HETATM 0 H21 NBN B 131 25.385 52.313 31.552 1.00 35.20 H new HETATM 0 H12 NBN B 131 25.438 49.500 31.994 1.00 29.02 H new HETATM 0 H11 NBN B 131 26.486 50.231 31.100 1.00 29.02 H new HETATM 1946 O HOH A 132 26.154 33.068 30.444 1.00 11.99 O HETATM 1947 O HOH A 133 28.443 31.492 33.377 1.00 15.14 O HETATM 1948 O HOH A 134 23.819 -2.775 34.968 1.00 43.12 O HETATM 1949 O HOH A 135 30.307 39.264 29.409 1.00 40.85 O HETATM 1950 O HOH A 136 31.639 36.678 27.525 1.00 26.59 O HETATM 1951 O HOH A 137 26.533 32.326 26.332 1.00 31.20 O HETATM 1952 O HOH A 138 23.492 28.977 29.047 1.00 55.63 O HETATM 1953 O HOH A 139 19.400 25.198 34.628 1.00 39.85 O HETATM 1954 O HOH A 140 20.842 25.576 37.056 1.00 66.45 O HETATM 1955 O HOH A 141 17.868 20.673 34.993 1.00 36.49 O HETATM 1956 O HOH A 142 29.604 25.554 42.817 1.00 38.72 O HETATM 1957 O HOH A 143 25.204 31.839 42.515 1.00 12.66 O HETATM 1958 O HOH A 144 34.515 14.757 33.595 1.00 18.71 O HETATM 1959 O HOH A 145 34.154 26.837 24.765 1.00 27.46 O HETATM 1960 O HOH A 146 35.088 24.189 25.383 1.00 22.39 O HETATM 1961 O HOH A 147 43.035 22.842 26.272 1.00 38.40 O HETATM 1962 O HOH A 148 36.681 9.596 28.244 1.00 38.10 O HETATM 1963 O HOH A 149 33.088 17.715 23.650 1.00 24.31 O HETATM 1964 O HOH A 150 22.451 1.211 35.084 1.00 81.18 O HETATM 1965 O HOH A 151 19.879 22.665 35.521 1.00 31.27 O HETATM 1966 O HOH A 152 31.401 23.308 42.599 1.00 21.22 O HETATM 1967 O HOH A 153 30.798 27.297 44.738 1.00 40.54 O HETATM 1968 O HOH A 154 35.348 46.024 34.414 1.00 36.67 O HETATM 1969 O HOH A 155 11.246 8.872 19.338 1.00 19.92 O HETATM 1970 O HOH A 156 10.456 6.425 20.361 1.00 22.58 O HETATM 1971 O HOH A 157 18.663 2.590 29.580 1.00 32.53 O HETATM 1972 O HOH A 158 22.357 4.310 23.288 1.00 32.69 O HETATM 1973 O HOH A 159 11.728 4.914 27.755 1.00 33.94 O HETATM 1974 O HOH A 160 17.060 3.219 37.153 1.00 33.88 O HETATM 1975 O HOH A 161 29.589 38.253 31.792 1.00 27.45 O HETATM 1976 O HOH A 162 42.222 37.741 28.566 1.00 47.00 O HETATM 1977 O HOH A 163 40.249 18.210 33.440 1.00 45.28 O HETATM 1978 O HOH A 164 30.122 25.385 24.911 1.00 32.49 O HETATM 1979 O HOH A 165 20.766 24.457 39.633 1.00 59.90 O HETATM 1980 O HOH A 166 27.200 23.322 43.540 1.00 28.77 O HETATM 1981 O HOH A 167 35.348 11.743 40.546 1.00 28.12 O HETATM 1982 O HOH A 168 45.853 31.287 32.139 1.00 34.19 O HETATM 1983 O HOH A 169 32.505 32.574 23.207 1.00 42.60 O HETATM 1984 O HOH A 170 41.901 41.659 39.506 1.00 46.84 O HETATM 1985 O HOH A 171 26.092 0.318 35.523 1.00 49.29 O HETATM 1986 O HOH A 172 38.913 24.126 36.898 1.00 24.32 O HETATM 1987 O HOH A 173 30.010 42.179 36.796 1.00 30.79 O HETATM 1988 O HOH A 174 43.584 27.844 38.206 1.00 33.40 O HETATM 1989 O HOH A 175 23.455 26.097 25.043 1.00 26.97 O HETATM 1990 O HOH A 176 30.533 35.526 41.536 1.00 29.97 O HETATM 1991 O HOH A 177 10.550 11.885 19.247 1.00 35.28 O HETATM 1992 O HOH A 178 28.764 12.690 40.922 1.00 39.05 O HETATM 1993 O HOH A 179 29.828 43.482 40.213 1.00 49.78 O HETATM 1994 O HOH A 180 30.177 32.983 43.200 1.00 19.81 O HETATM 1995 O HOH B 132 23.700 35.023 30.097 1.00 13.33 O HETATM 1996 O HOH B 133 21.671 36.683 32.767 1.00 16.44 O HETATM 1997 O HOH B 134 26.555 38.331 29.180 1.00 20.37 O HETATM 1998 O HOH B 135 20.500 29.469 31.637 1.00 24.60 O HETATM 1999 O HOH B 136 19.132 33.422 41.552 1.00 17.08 O HETATM 2000 O HOH B 137 18.488 30.444 44.375 1.00 31.60 O HETATM 2001 O HOH B 138 18.005 27.725 44.791 1.00 26.45 O HETATM 2002 O HOH B 139 2.608 38.304 33.349 1.00 42.96 O HETATM 2003 O HOH B 140 24.522 36.575 42.323 1.00 26.33 O HETATM 2004 O HOH B 141 22.978 41.614 45.617 1.00 29.05 O HETATM 2005 O HOH B 142 15.699 53.943 32.764 1.00 23.20 O HETATM 2006 O HOH B 143 10.600 52.364 27.810 1.00 27.43 O HETATM 2007 O HOH B 144 17.366 49.117 24.458 1.00 32.40 O HETATM 2008 O HOH B 145 8.790 39.961 40.975 1.00 33.00 O HETATM 2009 O HOH B 146 32.706 47.063 34.620 1.00 29.28 O HETATM 2010 O HOH B 147 27.227 67.086 35.495 1.00 56.04 O HETATM 2011 O HOH B 148 34.827 68.574 27.654 1.00 51.44 O HETATM 2012 O HOH B 149 32.547 52.753 25.831 1.00 35.87 O HETATM 2013 O HOH B 150 31.346 65.022 29.316 1.00 44.63 O HETATM 2014 O HOH B 151 20.118 47.382 24.094 1.00 35.93 O HETATM 2015 O HOH B 152 23.331 35.868 25.968 1.00 21.40 O HETATM 2016 O HOH B 153 10.553 36.749 25.852 1.00 31.17 O HETATM 2017 O HOH B 154 3.012 31.395 36.382 1.00 40.06 O HETATM 2018 O HOH B 155 18.391 41.835 44.479 1.00 51.50 O HETATM 2019 O HOH B 156 22.357 43.462 43.147 1.00 31.36 O HETATM 2020 O HOH B 157 24.686 49.387 38.221 1.00 40.34 O HETATM 2021 O HOH B 158 19.336 70.507 31.893 1.00 61.17 O HETATM 2022 O HOH B 159 14.526 22.886 42.663 1.00 50.28 O HETATM 2023 O HOH B 160 11.221 50.878 37.640 1.00 52.81 O HETATM 2024 O HOH B 161 8.916 39.303 28.129 1.00 42.00 O HETATM 2025 O HOH B 162 18.055 31.326 27.441 1.00 44.51 O HETATM 2026 O HOH B 163 25.832 34.483 28.006 1.00 51.06 O HETATM 2027 O HOH B 164 12.861 54.491 33.907 1.00 32.18 O HETATM 2028 O HOH B 165 10.786 43.912 36.788 1.00 34.87 O HETATM 2029 O HOH B 166 8.143 33.770 31.223 1.00 51.10 O HETATM 2030 O HOH B 167 7.501 35.438 26.639 1.00 67.92 O HETATM 2031 O HOH B 168 17.228 66.303 33.226 1.00 41.57 O HETATM 2032 O HOH B 169 31.590 47.916 21.420 1.00 56.14 O HETATM 2033 O HOH B 170 14.118 25.309 45.080 1.00 29.77 O HETATM 2034 O HOH B 171 14.695 41.299 44.377 1.00 33.81 O HETATM 2035 O HOH B 172 22.635 46.709 20.927 1.00 35.12 O HETATM 2036 O HOH B 173 19.850 35.764 42.607 1.00 30.93 O HETATM 2037 O HOH B 174 18.951 26.684 39.391 1.00 76.57 O HETATM 2038 O HOH B 175 10.476 53.161 35.293 1.00 48.19 O HETATM 2039 O HOH B 176 38.622 51.151 26.289 1.00 25.77 O HETATM 2040 O HOH B 177 11.702 56.187 25.879 1.00 31.87 O HETATM 2041 O HOH B 178 19.216 55.208 21.583 1.00 33.54 O HETATM 2042 O HOH B 179 27.656 53.926 14.180 1.00 29.59 O HETATM 2043 O HOH B 180 23.837 65.077 23.774 1.00 52.45 O HETATM 2044 O HOH B 181 25.619 69.178 26.627 1.00 47.37 O HETATM 2045 O HOH B 182 30.010 42.628 34.212 1.00 40.79 O HETATM 2046 O HOH B 183 6.355 40.796 38.060 1.00 28.11 O CONECT 829 1870 CONECT 849 1878 CONECT 859 1848 CONECT 1750 1919 CONECT 1770 1927 CONECT 1780 1897 CONECT 1848 859 1853 1864 1872 CONECT 1848 1880 1891 1892 CONECT 1849 1854 1884 CONECT 1850 1857 1865 CONECT 1851 1868 1873 CONECT 1852 1876 1881 CONECT 1853 1848 1854 1857 CONECT 1854 1849 1853 1855 CONECT 1855 1854 1856 1859 CONECT 1856 1855 1857 1858 CONECT 1857 1850 1853 1856 CONECT 1858 1856 CONECT 1859 1855 1860 CONECT 1860 1859 1861 CONECT 1861 1860 1862 1863 CONECT 1862 1861 CONECT 1863 1861 CONECT 1864 1848 1865 1868 CONECT 1865 1850 1864 1866 CONECT 1866 1865 1867 1869 CONECT 1867 1866 1868 1870 CONECT 1868 1851 1864 1867 CONECT 1869 1866 CONECT 1870 829 1867 1871 CONECT 1871 1870 CONECT 1872 1848 1873 1876 CONECT 1873 1851 1872 1874 CONECT 1874 1873 1875 1877 CONECT 1875 1874 1876 1878 CONECT 1876 1852 1872 1875 CONECT 1877 1874 CONECT 1878 849 1875 1879 CONECT 1879 1878 CONECT 1880 1848 1881 1884 CONECT 1881 1852 1880 1882 CONECT 1882 1881 1883 1885 CONECT 1883 1882 1884 1886 CONECT 1884 1849 1880 1883 CONECT 1885 1882 CONECT 1886 1883 1887 CONECT 1887 1886 1888 CONECT 1888 1887 1889 1890 CONECT 1889 1888 CONECT 1890 1888 CONECT 1891 1848 1892 CONECT 1892 1848 1891 1893 CONECT 1893 1892 1894 CONECT 1894 1893 1895 CONECT 1895 1894 1896 CONECT 1896 1895 CONECT 1897 1780 1902 1913 1921 CONECT 1897 1929 1940 1941 CONECT 1898 1903 1933 CONECT 1899 1906 1914 CONECT 1900 1917 1922 CONECT 1901 1925 1930 CONECT 1902 1897 1903 1906 CONECT 1903 1898 1902 1904 CONECT 1904 1903 1905 1908 CONECT 1905 1904 1906 1907 CONECT 1906 1899 1902 1905 CONECT 1907 1905 CONECT 1908 1904 1909 CONECT 1909 1908 1910 CONECT 1910 1909 1911 1912 CONECT 1911 1910 CONECT 1912 1910 CONECT 1913 1897 1914 1917 CONECT 1914 1899 1913 1915 CONECT 1915 1914 1916 1918 CONECT 1916 1915 1917 1919 CONECT 1917 1900 1913 1916 CONECT 1918 1915 CONECT 1919 1750 1916 1920 CONECT 1920 1919 CONECT 1921 1897 1922 1925 CONECT 1922 1900 1921 1923 CONECT 1923 1922 1924 1926 CONECT 1924 1923 1925 1927 CONECT 1925 1901 1921 1924 CONECT 1926 1923 CONECT 1927 1770 1924 1928 CONECT 1928 1927 CONECT 1929 1897 1930 1933 CONECT 1930 1901 1929 1931 CONECT 1931 1930 1932 1934 CONECT 1932 1931 1933 1935 CONECT 1933 1898 1929 1932 CONECT 1934 1931 CONECT 1935 1932 1936 CONECT 1936 1935 1937 CONECT 1937 1936 1938 1939 CONECT 1938 1937 CONECT 1939 1937 CONECT 1940 1897 1941 CONECT 1941 1897 1940 1942 CONECT 1942 1941 1943 CONECT 1943 1942 1944 CONECT 1944 1943 1945 CONECT 1945 1944 END