USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER ELECTRON TRANSFER(CUPROPROTEIN) 03-AUG-94 1PZB TITLE THE CRYSTAL STRUCTURES OF REDUCED PSEUDOAZURIN FROM TITLE 2 ALCALIGENES FAECALIS S-6 AT TWO PH VALUES COMPND MOL_ID: 1; COMPND 2 MOLECULE: PSEUDOAZURIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; SOURCE 3 ORGANISM_TAXID: 511 KEYWDS ELECTRON TRANSFER(CUPROPROTEIN) EXPDTA X-RAY DIFFRACTION AUTHOR K.PETRATOS REVDAT 2 24-FEB-09 1PZB 1 VERSN REVDAT 1 30-NOV-94 1PZB 0 JRNL AUTH E.VAKOUFARI,K.S.WILSON,K.PETRATOS JRNL TITL THE CRYSTAL STRUCTURES OF REDUCED PSEUDOAZURIN JRNL TITL 2 FROM ALCALIGENES FAECALIS S-6 AT TWO PH VALUES. JRNL REF FEBS LETT. V. 347 203 1994 JRNL REFN ISSN 0014-5793 JRNL PMID 8034003 JRNL DOI 10.1016/0014-5793(94)00544-3 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH K.PETRATOS,Z.DAUTER,K.S.WILSON REMARK 1 TITL REFINEMENT OF THE STRUCTURE OF PSEUDOAZURIN FROM REMARK 1 TITL 2 ALCALIGENES FAECALIS S-6 AT 1.55 ANGSTROMS REMARK 1 TITL 3 RESOLUTION REMARK 1 REF ACTA CRYSTALLOGR.,SECT.B V. 44 628 1988 REMARK 1 REFN ISSN 0108-7681 REMARK 2 REMARK 2 RESOLUTION. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PROLSQ, PROTIN REMARK 3 AUTHORS : KONNERT,HENDRICKSON REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000 REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 12654 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 + TEST SET) : 0.177 REMARK 3 R VALUE (WORKING SET) : NULL REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA. REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL REMARK 3 FREE R VALUE (NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 917 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 1 REMARK 3 SOLVENT ATOMS : 92 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA REMARK 3 BOND LENGTH (A) : NULL ; NULL REMARK 3 ANGLE DISTANCE (A) : NULL ; NULL REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : NULL ; NULL REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : NULL ; NULL REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL REMARK 3 REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL REMARK 3 PLANAR (DEGREES) : NULL ; NULL REMARK 3 STAGGERED (DEGREES) : NULL ; NULL REMARK 3 TRANSVERSE (DEGREES) : NULL ; 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 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1PZB COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : NULL REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL REMARK 200 WAVELENGTH OR RANGE (A) : NULL REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : NULL REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 53.56 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.65 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 -X,-Y,Z+1/2 REMARK 290 5555 Y,-X+Y,Z+1/6 REMARK 290 6555 X-Y,X,Z+5/6 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 65.66667 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 32.83333 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 49.25000 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 16.41667 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 82.08333 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 SER A 121 REMARK 465 ALA A 122 REMARK 465 LYS A 123 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 OE1 GLU A 19 O HOH A 158 2.17 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 GLU A 1 CA - CB - CG ANGL. DEV. = 17.4 DEGREES REMARK 500 GLU A 62 CA - CB - CG ANGL. DEV. = 13.6 DEGREES REMARK 500 TYR A 64 CB - CG - CD2 ANGL. DEV. = 3.9 DEGREES REMARK 500 ASP A 100 CB - CG - OD2 ANGL. DEV. = -6.9 DEGREES REMARK 500 ARG A 114 NE - CZ - NH1 ANGL. DEV. = -3.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 MET A 16 76.06 55.45 REMARK 500 LYS A 57 112.67 -162.40 REMARK 500 THR A 69 -62.93 -108.90 REMARK 500 SER A 95 73.96 32.75 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 CU A 124 CU REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 40 ND1 REMARK 620 2 CYS A 78 SG 137.7 REMARK 620 3 MET A 86 SD 96.7 122.5 REMARK 620 N 1 2 REMARK 700 REMARK 700 SHEET REMARK 700 THE NINE-STRANDED SHEET DESCRIBED BELOW IS ACTUALLY AN REMARK 700 EIGHT-STRANDED BETA BARREL. THIS IS DENOTED BY THE FIRST REMARK 700 STRAND RECURRING AS THE LAST STRAND. STRAND 8 IS ADJACENT REMARK 700 TO STRAND 9 (STRAND 1) BUT THERE ARE NO INTERSTRAND REMARK 700 H-BONDS. REMARK 700 THE SHEET PRESENTED AS *S1* ON SHEET RECORDS BELOW IS REMARK 700 ACTUALLY AN EIGHT-STRANDED BETA-BARREL. THIS IS REMARK 700 REPRESENTED BY A NINE-STRANDED SHEET IN WHICH THE FIRST AND REMARK 700 LAST STRANDS ARE IDENTICAL. REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CU A 124 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1PZA RELATED DB: PDB REMARK 900 RELATED ID: 1PAZ RELATED DB: PDB REMARK 900 THE THREE CARBOXY-TERMINAL RESIDUES 121 - 123 COULD NOT BE REMARK 900 MODELED IN THE FRAGMENTED ELECTRON DENSITY LIKE IN THE REMARK 900 NATIVE, OXIDIZED (CU2+) STRUCTURE (PDB ENTRY: 1PAZ). DBREF 1PZB A 1 123 UNP P04377 AZUP_ALCFA 24 146 SEQRES 1 A 123 GLU ASN ILE GLU VAL HIS MET LEU ASN LYS GLY ALA GLU SEQRES 2 A 123 GLY ALA MET VAL PHE GLU PRO ALA TYR ILE LYS ALA ASN SEQRES 3 A 123 PRO GLY ASP THR VAL THR PHE ILE PRO VAL ASP LYS GLY SEQRES 4 A 123 HIS ASN VAL GLU SER ILE LYS ASP MET ILE PRO GLU GLY SEQRES 5 A 123 ALA GLU LYS PHE LYS SER LYS ILE ASN GLU ASN TYR VAL SEQRES 6 A 123 LEU THR VAL THR GLN PRO GLY ALA TYR LEU VAL LYS CYS SEQRES 7 A 123 THR PRO HIS TYR ALA MET GLY MET ILE ALA LEU ILE ALA SEQRES 8 A 123 VAL GLY ASP SER PRO ALA ASN LEU ASP GLN ILE VAL SER SEQRES 9 A 123 ALA LYS LYS PRO LYS ILE VAL GLN GLU ARG LEU GLU LYS SEQRES 10 A 123 VAL ILE ALA SER ALA LYS HET CU A 124 1 HETNAM CU COPPER (II) ION FORMUL 2 CU CU 2+ FORMUL 3 HOH *92(H2 O) HELIX 1 A1 ASN A 98 ALA A 105 1 8 HELIX 2 A2 PRO A 108 ALA A 120 1 13 SHEET 1 S1 9 GLU A 54 SER A 58 0 SHEET 2 S1 9 VAL A 42 ILE A 45 -1 O VAL A 42 N SER A 58 SHEET 3 S1 9 GLY A 72 LYS A 77 -1 O LYS A 77 N GLU A 43 SHEET 4 S1 9 ALA A 88 GLY A 93 -1 O VAL A 92 N GLY A 72 SHEET 5 S1 9 ALA A 15 ALA A 25 1 O ALA A 25 N GLY A 93 SHEET 6 S1 9 GLU A 1 ASN A 9 -1 O ASN A 9 N MET A 16 SHEET 7 S1 9 THR A 30 ASP A 37 1 N THR A 30 O GLU A 1 SHEET 8 S1 9 ASN A 63 THR A 67 -1 O LEU A 66 N VAL A 31 SHEET 9 S1 9 GLU A 54 SER A 58 -1 LINK CU CU A 124 ND1 HIS A 40 1555 1555 2.19 LINK CU CU A 124 SG CYS A 78 1555 1555 2.16 LINK CU CU A 124 SD MET A 86 1555 1555 2.42 CISPEP 1 GLU A 19 PRO A 20 0 -0.85 SITE *** AC1 4 HIS A 40 CYS A 78 HIS A 81 MET A 86 CRYST1 49.950 49.950 98.500 90.00 90.00 120.00 P 65 6 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 0.020020 0.011559 0.000000 0.00000 SCALE2 0.000000 0.023117 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010152 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 40 HIS HD1 : A 40 HIS ND1 : A 124 CUCU :(H bumps) USER MOD Set 1.1: A 107 LYS NZ :NH3+ 150:sc= 3.63 (180deg=1.25) USER MOD Set 1.2: A 112 GLN : amide:sc= 0.847 K(o=4.5,f=-14!) USER MOD Set 2.1: A 41 ASN : amide:sc= 1.22 K(o=2.5,f=-4.5!) USER MOD Set 2.2: A 79 THR OG1 : rot -98:sc= 1.27 USER MOD Set 3.1: A 2 ASN : amide:sc= 1.73 X(o=3.7,f=3.3) USER MOD Set 3.2: A 30 THR OG1 : rot 85:sc= 1.19 USER MOD Set 3.3: A 32 THR OG1 : rot 88:sc= 0.81 USER MOD Single : A 1 GLU N :NH3+ -177:sc= 1.01 (180deg=1) USER MOD Single : A 6 HIS : no HD1:sc= -0.524 K(o=-0.52,f=-3.1!) USER MOD Single : A 7 MET CE :methyl 142:sc= -1.8 (180deg=-2.41) USER MOD Single : A 9 ASN : amide:sc= 0.388 K(o=0.39,f=-1.7!) USER MOD Single : A 10 LYS NZ :NH3+ -138:sc= -1.12 (180deg=-4.11!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0145 X(o=-0.014,f=0) USER MOD Single : A 38 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 19:sc= 0.341 USER MOD Single : A 46 LYS NZ :NH3+ -143:sc= 1.25 (180deg=-0.545) USER MOD Single : A 48 MET CE :methyl -102:sc= -0.0263 (180deg=-0.374) USER MOD Single : A 55 LYS NZ :NH3+ -118:sc= -1.78 (180deg=-3.47!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 95:sc= 1.54 USER MOD Single : A 59 LYS NZ :NH3+ -154:sc= -0.069 (180deg=-0.677) USER MOD Single : A 61 ASN : amide:sc= -0.37 K(o=-0.37,f=-10!) USER MOD Single : A 63 ASN : amide:sc= -0.201 K(o=-0.2,f=-1.6) USER MOD Single : A 64 TYR OH : rot 30:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0381 K(o=-0.038,f=-1.2!) USER MOD Single : A 74 TYR OH : rot 7:sc= 2.16 USER MOD Single : A 77 LYS NZ :NH3+ -158:sc= 0.475 (180deg=0.265) USER MOD Single : A 81 HIS :FLIP no HE2:sc= -0.26 F(o=-1.6,f=-0.25) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl 164:sc= -0.0655 (180deg=-0.596) USER MOD Single : A 86 MET CE :methyl 150:sc= -0.0994 (180deg=-1.16) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 2.35 K(o=2.4,f=-11!) USER MOD Single : A 101 GLN : amide:sc= 0.0331 X(o=0.033,f=0.37) USER MOD Single : A 104 SER OG : rot 62:sc= 0.00171 USER MOD Single : A 106 LYS NZ :NH3+ 160:sc= -0.0752 (180deg=-0.461) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -19.762 3.232 -31.523 1.00 24.73 N ATOM 2 CA GLU A 1 -19.168 4.577 -31.573 1.00 23.34 C ATOM 3 C GLU A 1 -19.978 5.352 -32.616 1.00 22.08 C ATOM 4 O GLU A 1 -20.765 4.797 -33.377 1.00 22.88 O ATOM 5 CB GLU A 1 -17.701 4.630 -31.884 1.00 22.52 C ATOM 6 CG GLU A 1 -16.926 4.079 -33.042 1.00 43.00 C ATOM 7 CD GLU A 1 -15.429 4.012 -32.973 1.00102.82 C ATOM 8 OE1 GLU A 1 -14.797 3.355 -32.156 1.00 97.30 O ATOM 9 OE2 GLU A 1 -14.884 4.708 -33.863 1.00 91.50 O ATOM 0 H1 GLU A 1 -19.353 2.750 -30.896 1.00 24.73 H new ATOM 0 H2 GLU A 1 -20.628 3.297 -31.329 1.00 24.73 H new ATOM 0 H3 GLU A 1 -19.664 2.835 -32.313 1.00 24.73 H new ATOM 0 HA GLU A 1 -19.215 4.964 -30.685 1.00 23.34 H new ATOM 0 HB2 GLU A 1 -17.489 5.576 -31.881 1.00 22.52 H new ATOM 0 HB3 GLU A 1 -17.276 4.242 -31.104 1.00 22.52 H new ATOM 0 HG2 GLU A 1 -17.249 3.179 -33.204 1.00 43.00 H new ATOM 0 HG3 GLU A 1 -17.156 4.608 -33.822 1.00 43.00 H new ATOM 10 N ASN A 2 -19.765 6.632 -32.608 1.00 18.93 N ATOM 11 CA ASN A 2 -20.428 7.564 -33.518 1.00 15.49 C ATOM 12 C ASN A 2 -19.351 8.215 -34.400 1.00 31.71 C ATOM 13 O ASN A 2 -18.244 8.519 -33.927 1.00 20.08 O ATOM 14 CB ASN A 2 -21.240 8.564 -32.714 1.00 17.39 C ATOM 15 CG ASN A 2 -21.908 9.569 -33.637 1.00 18.92 C ATOM 16 OD1 ASN A 2 -22.765 9.215 -34.447 1.00 19.20 O ATOM 17 ND2 ASN A 2 -21.508 10.828 -33.473 1.00 19.56 N ATOM 0 H ASN A 2 -19.218 7.013 -32.064 1.00 18.93 H new ATOM 0 HA ASN A 2 -21.056 7.113 -34.104 1.00 15.49 H new ATOM 0 HB2 ASN A 2 -21.912 8.098 -32.192 1.00 17.39 H new ATOM 0 HB3 ASN A 2 -20.664 9.027 -32.086 1.00 17.39 H new ATOM 0 HD21 ASN A 2 -21.854 11.455 -33.950 1.00 19.56 H new ATOM 0 HD22 ASN A 2 -20.904 11.015 -32.890 1.00 19.56 H new ATOM 18 N ILE A 3 -19.725 8.374 -35.667 1.00 17.97 N ATOM 19 CA ILE A 3 -18.843 9.015 -36.657 1.00 17.62 C ATOM 20 C ILE A 3 -19.631 10.219 -37.192 1.00 13.80 C ATOM 21 O ILE A 3 -20.796 10.052 -37.596 1.00 18.09 O ATOM 22 CB ILE A 3 -18.311 8.098 -37.794 1.00 16.94 C ATOM 23 CG1 ILE A 3 -17.524 6.890 -37.243 1.00 18.95 C ATOM 24 CG2 ILE A 3 -17.450 8.954 -38.784 1.00 19.67 C ATOM 25 CD1 ILE A 3 -18.363 5.601 -37.177 1.00 24.53 C ATOM 0 H ILE A 3 -20.485 8.119 -35.979 1.00 17.97 H new ATOM 0 HA ILE A 3 -18.017 9.273 -36.220 1.00 17.62 H new ATOM 0 HB ILE A 3 -19.067 7.725 -38.275 1.00 16.94 H new ATOM 0 HG12 ILE A 3 -16.747 6.735 -37.802 1.00 18.95 H new ATOM 0 HG13 ILE A 3 -17.197 7.102 -36.355 1.00 18.95 H new ATOM 0 HG21 ILE A 3 -17.115 8.387 -39.496 1.00 19.67 H new ATOM 0 HG22 ILE A 3 -17.998 9.659 -39.163 1.00 19.67 H new ATOM 0 HG23 ILE A 3 -16.703 9.347 -38.306 1.00 19.67 H new ATOM 0 HD11 ILE A 3 -17.820 4.879 -36.825 1.00 24.53 H new ATOM 0 HD12 ILE A 3 -19.128 5.742 -36.597 1.00 24.53 H new ATOM 0 HD13 ILE A 3 -18.671 5.369 -38.067 1.00 24.53 H new ATOM 26 N GLU A 4 -19.010 11.387 -37.126 1.00 11.47 N ATOM 27 CA GLU A 4 -19.665 12.620 -37.582 1.00 15.00 C ATOM 28 C GLU A 4 -19.198 13.017 -38.995 1.00 15.36 C ATOM 29 O GLU A 4 -18.000 13.026 -39.329 1.00 16.75 O ATOM 30 CB GLU A 4 -19.379 13.743 -36.590 1.00 17.78 C ATOM 31 CG GLU A 4 -19.735 15.166 -36.937 1.00 22.99 C ATOM 32 CD GLU A 4 -19.594 16.096 -35.755 1.00 32.18 C ATOM 33 OE1 GLU A 4 -19.765 15.703 -34.622 1.00 32.59 O ATOM 34 OE2 GLU A 4 -19.289 17.249 -36.072 1.00 26.90 O ATOM 0 H GLU A 4 -18.212 11.495 -36.823 1.00 11.47 H new ATOM 0 HA GLU A 4 -20.621 12.462 -37.626 1.00 15.00 H new ATOM 0 HB2 GLU A 4 -19.840 13.523 -35.765 1.00 17.78 H new ATOM 0 HB3 GLU A 4 -18.428 13.722 -36.398 1.00 17.78 H new ATOM 0 HG2 GLU A 4 -19.164 15.474 -37.658 1.00 22.99 H new ATOM 0 HG3 GLU A 4 -20.647 15.198 -37.265 1.00 22.99 H new ATOM 35 N VAL A 5 -20.219 13.273 -39.810 1.00 11.55 N ATOM 36 CA VAL A 5 -20.024 13.630 -41.230 1.00 13.87 C ATOM 37 C VAL A 5 -20.658 14.975 -41.544 1.00 12.29 C ATOM 38 O VAL A 5 -21.823 15.198 -41.158 1.00 17.64 O ATOM 39 CB VAL A 5 -20.636 12.429 -42.043 1.00 15.27 C ATOM 40 CG1 VAL A 5 -20.606 12.707 -43.551 1.00 17.56 C ATOM 41 CG2 VAL A 5 -20.030 11.054 -41.761 1.00 10.14 C ATOM 0 H VAL A 5 -21.043 13.247 -39.564 1.00 11.55 H new ATOM 0 HA VAL A 5 -19.091 13.749 -41.467 1.00 13.87 H new ATOM 0 HB VAL A 5 -21.550 12.378 -41.722 1.00 15.27 H new ATOM 0 HG11 VAL A 5 -20.988 11.953 -44.027 1.00 17.56 H new ATOM 0 HG12 VAL A 5 -21.122 13.505 -43.743 1.00 17.56 H new ATOM 0 HG13 VAL A 5 -19.689 12.839 -43.838 1.00 17.56 H new ATOM 0 HG21 VAL A 5 -20.473 10.387 -42.308 1.00 10.14 H new ATOM 0 HG22 VAL A 5 -19.083 11.068 -41.972 1.00 10.14 H new ATOM 0 HG23 VAL A 5 -20.149 10.834 -40.824 1.00 10.14 H new ATOM 42 N HIS A 6 -19.923 15.823 -42.241 1.00 13.94 N ATOM 43 CA HIS A 6 -20.473 17.128 -42.629 1.00 15.67 C ATOM 44 C HIS A 6 -20.864 17.146 -44.111 1.00 19.04 C ATOM 45 O HIS A 6 -20.101 16.585 -44.913 1.00 16.54 O ATOM 46 CB HIS A 6 -19.478 18.305 -42.407 1.00 15.82 C ATOM 47 CG HIS A 6 -19.244 18.514 -40.938 1.00 22.56 C ATOM 48 ND1 HIS A 6 -18.552 19.563 -40.381 1.00 22.85 N ATOM 49 CD2 HIS A 6 -19.697 17.733 -39.916 1.00 22.50 C ATOM 50 CE1 HIS A 6 -18.576 19.386 -39.063 1.00 20.26 C ATOM 51 NE2 HIS A 6 -19.259 18.301 -38.760 1.00 25.27 N ATOM 0 H HIS A 6 -19.116 15.675 -42.500 1.00 13.94 H new ATOM 0 HA HIS A 6 -21.247 17.252 -42.058 1.00 15.67 H new ATOM 0 HB2 HIS A 6 -18.637 18.115 -42.852 1.00 15.82 H new ATOM 0 HB3 HIS A 6 -19.832 19.116 -42.804 1.00 15.82 H new ATOM 0 HD2 HIS A 6 -20.208 16.960 -39.994 1.00 22.50 H new ATOM 0 HE1 HIS A 6 -18.169 19.948 -38.444 1.00 20.26 H new ATOM 0 HE2 HIS A 6 -19.403 18.003 -37.966 1.00 25.27 H new ATOM 52 N MET A 7 -21.966 17.797 -44.407 1.00 15.33 N ATOM 53 CA MET A 7 -22.472 17.973 -45.783 1.00 12.72 C ATOM 54 C MET A 7 -22.192 19.457 -46.092 1.00 15.82 C ATOM 55 O MET A 7 -22.685 20.399 -45.462 1.00 16.33 O ATOM 56 CB MET A 7 -23.912 17.510 -45.886 1.00 16.20 C ATOM 57 CG MET A 7 -24.081 16.188 -45.105 1.00 18.65 C ATOM 58 SD MET A 7 -25.796 15.654 -45.373 1.00 37.51 S ATOM 59 CE MET A 7 -26.629 16.316 -43.935 1.00 41.18 C ATOM 0 H MET A 7 -22.465 18.164 -43.811 1.00 15.33 H new ATOM 0 HA MET A 7 -22.040 17.426 -46.457 1.00 12.72 H new ATOM 0 HB2 MET A 7 -24.507 18.187 -45.528 1.00 16.20 H new ATOM 0 HB3 MET A 7 -24.156 17.382 -46.816 1.00 16.20 H new ATOM 0 HG2 MET A 7 -23.456 15.517 -45.421 1.00 18.65 H new ATOM 0 HG3 MET A 7 -23.903 16.319 -44.161 1.00 18.65 H new ATOM 0 HE1 MET A 7 -27.508 16.638 -44.190 1.00 41.18 H new ATOM 0 HE2 MET A 7 -26.721 15.620 -43.265 1.00 41.18 H new ATOM 0 HE3 MET A 7 -26.110 17.049 -43.569 1.00 41.18 H new ATOM 60 N LEU A 8 -21.328 19.643 -47.058 1.00 17.45 N ATOM 61 CA LEU A 8 -20.846 20.932 -47.540 1.00 22.07 C ATOM 62 C LEU A 8 -20.956 21.207 -49.042 1.00 24.10 C ATOM 63 O LEU A 8 -20.911 20.328 -49.904 1.00 19.67 O ATOM 64 CB LEU A 8 -19.333 20.998 -47.224 1.00 16.68 C ATOM 65 CG LEU A 8 -18.953 20.737 -45.781 1.00 21.45 C ATOM 66 CD1 LEU A 8 -17.553 20.169 -45.709 1.00 24.09 C ATOM 67 CD2 LEU A 8 -19.054 22.081 -45.075 1.00 29.06 C ATOM 0 H LEU A 8 -20.978 18.983 -47.484 1.00 17.45 H new ATOM 0 HA LEU A 8 -21.413 21.584 -47.100 1.00 22.07 H new ATOM 0 HB2 LEU A 8 -18.874 20.353 -47.784 1.00 16.68 H new ATOM 0 HB3 LEU A 8 -19.005 21.876 -47.474 1.00 16.68 H new ATOM 0 HG LEU A 8 -19.535 20.086 -45.359 1.00 21.45 H new ATOM 0 HD11 LEU A 8 -17.317 20.005 -44.782 1.00 24.09 H new ATOM 0 HD12 LEU A 8 -17.516 19.336 -46.204 1.00 24.09 H new ATOM 0 HD13 LEU A 8 -16.927 20.802 -46.094 1.00 24.09 H new ATOM 0 HD21 LEU A 8 -18.820 21.974 -44.140 1.00 29.06 H new ATOM 0 HD22 LEU A 8 -18.445 22.711 -45.490 1.00 29.06 H new ATOM 0 HD23 LEU A 8 -19.962 22.416 -45.144 1.00 29.06 H new ATOM 68 N ASN A 9 -21.012 22.501 -49.303 1.00 23.40 N ATOM 69 CA ASN A 9 -21.102 23.078 -50.653 1.00 21.24 C ATOM 70 C ASN A 9 -19.777 22.942 -51.400 1.00 19.30 C ATOM 71 O ASN A 9 -19.789 22.723 -52.627 1.00 23.93 O ATOM 72 CB ASN A 9 -21.544 24.546 -50.612 1.00 24.66 C ATOM 73 CG ASN A 9 -23.035 24.727 -50.395 1.00 34.44 C ATOM 74 OD1 ASN A 9 -23.801 23.749 -50.455 1.00 32.85 O ATOM 75 ND2 ASN A 9 -23.450 25.976 -50.157 1.00 51.74 N ATOM 0 H ASN A 9 -20.999 23.097 -48.683 1.00 23.40 H new ATOM 0 HA ASN A 9 -21.778 22.576 -51.134 1.00 21.24 H new ATOM 0 HB2 ASN A 9 -21.064 25.000 -49.902 1.00 24.66 H new ATOM 0 HB3 ASN A 9 -21.292 24.975 -51.445 1.00 24.66 H new ATOM 0 HD21 ASN A 9 -24.286 26.135 -50.036 1.00 51.74 H new ATOM 0 HD22 ASN A 9 -22.880 26.620 -50.125 1.00 51.74 H new ATOM 76 N LYS A 10 -18.703 23.055 -50.656 1.00 19.30 N ATOM 77 CA LYS A 10 -17.353 22.960 -51.224 1.00 28.35 C ATOM 78 C LYS A 10 -16.487 22.336 -50.134 1.00 24.23 C ATOM 79 O LYS A 10 -16.747 22.666 -48.963 1.00 43.22 O ATOM 80 CB LYS A 10 -16.731 24.309 -51.592 1.00 34.19 C ATOM 81 CG LYS A 10 -16.996 24.860 -52.985 1.00 95.50 C ATOM 82 CD LYS A 10 -18.244 25.729 -53.032 1.00104.71 C ATOM 83 CE LYS A 10 -18.944 25.750 -54.370 1.00 90.43 C ATOM 84 NZ LYS A 10 -19.770 24.540 -54.620 1.00 44.55 N ATOM 0 H LYS A 10 -18.721 23.189 -49.807 1.00 19.30 H new ATOM 0 HA LYS A 10 -17.405 22.447 -52.046 1.00 28.35 H new ATOM 0 HB2 LYS A 10 -17.042 24.965 -50.949 1.00 34.19 H new ATOM 0 HB3 LYS A 10 -15.770 24.234 -51.480 1.00 34.19 H new ATOM 0 HG2 LYS A 10 -16.231 25.380 -53.276 1.00 95.50 H new ATOM 0 HG3 LYS A 10 -17.093 24.124 -53.609 1.00 95.50 H new ATOM 0 HD2 LYS A 10 -18.868 25.416 -52.359 1.00104.71 H new ATOM 0 HD3 LYS A 10 -18.001 26.637 -52.793 1.00104.71 H new ATOM 0 HE2 LYS A 10 -19.510 26.536 -54.420 1.00 90.43 H new ATOM 0 HE3 LYS A 10 -18.281 25.833 -55.073 1.00 90.43 H new ATOM 0 HZ1 LYS A 10 -19.658 24.273 -55.462 1.00 44.55 H new ATOM 0 HZ2 LYS A 10 -19.519 23.890 -54.067 1.00 44.55 H new ATOM 0 HZ3 LYS A 10 -20.628 24.732 -54.482 1.00 44.55 H new ATOM 85 N GLY A 11 -15.542 21.526 -50.537 1.00 24.15 N ATOM 86 CA GLY A 11 -14.644 20.899 -49.526 1.00 18.79 C ATOM 87 C GLY A 11 -13.368 20.588 -50.297 1.00 20.89 C ATOM 88 O GLY A 11 -13.280 21.041 -51.450 1.00 29.49 O ATOM 0 H GLY A 11 -15.385 21.315 -51.356 1.00 24.15 H new ATOM 0 HA2 GLY A 11 -14.472 21.500 -48.784 1.00 18.79 H new ATOM 0 HA3 GLY A 11 -15.038 20.094 -49.154 1.00 18.79 H new ATOM 89 N ALA A 12 -12.480 19.826 -49.706 1.00 23.93 N ATOM 90 CA ALA A 12 -11.195 19.480 -50.326 1.00 33.47 C ATOM 91 C ALA A 12 -11.283 18.953 -51.748 1.00 45.31 C ATOM 92 O ALA A 12 -10.486 19.325 -52.622 1.00 37.46 O ATOM 93 CB ALA A 12 -10.454 18.510 -49.404 1.00 28.39 C ATOM 0 H ALA A 12 -12.594 19.484 -48.925 1.00 23.93 H new ATOM 0 HA ALA A 12 -10.697 20.307 -50.425 1.00 33.47 H new ATOM 0 HB1 ALA A 12 -9.602 18.272 -49.802 1.00 28.39 H new ATOM 0 HB2 ALA A 12 -10.302 18.932 -48.544 1.00 28.39 H new ATOM 0 HB3 ALA A 12 -10.987 17.709 -49.281 1.00 28.39 H new ATOM 94 N GLU A 13 -12.238 18.081 -51.986 1.00 29.47 N ATOM 95 CA GLU A 13 -12.538 17.401 -53.232 1.00 40.46 C ATOM 96 C GLU A 13 -13.304 18.191 -54.285 1.00 35.06 C ATOM 97 O GLU A 13 -13.454 17.665 -55.411 1.00 39.68 O ATOM 98 CB GLU A 13 -13.388 16.130 -52.971 1.00 45.36 C ATOM 99 CG GLU A 13 -12.693 14.880 -52.432 1.00 50.06 C ATOM 100 CD GLU A 13 -11.433 14.512 -53.176 1.00106.99 C ATOM 101 OE1 GLU A 13 -11.402 14.189 -54.356 1.00104.00 O ATOM 102 OE2 GLU A 13 -10.414 14.598 -52.450 1.00 54.31 O ATOM 0 H GLU A 13 -12.783 17.847 -51.363 1.00 29.47 H new ATOM 0 HA GLU A 13 -11.652 17.225 -53.584 1.00 40.46 H new ATOM 0 HB2 GLU A 13 -14.090 16.369 -52.346 1.00 45.36 H new ATOM 0 HB3 GLU A 13 -13.821 15.889 -53.805 1.00 45.36 H new ATOM 0 HG2 GLU A 13 -12.477 15.019 -51.497 1.00 50.06 H new ATOM 0 HG3 GLU A 13 -13.312 14.134 -52.472 1.00 50.06 H new ATOM 103 N GLY A 14 -13.787 19.369 -53.958 1.00 22.65 N ATOM 104 CA GLY A 14 -14.549 20.170 -54.913 1.00 19.94 C ATOM 105 C GLY A 14 -15.858 20.616 -54.276 1.00 26.58 C ATOM 106 O GLY A 14 -15.986 20.766 -53.055 1.00 26.62 O ATOM 0 H GLY A 14 -13.689 19.733 -53.185 1.00 22.65 H new ATOM 0 HA2 GLY A 14 -14.031 20.944 -55.186 1.00 19.94 H new ATOM 0 HA3 GLY A 14 -14.728 19.652 -55.713 1.00 19.94 H new ATOM 107 N ALA A 15 -16.798 20.820 -55.184 1.00 16.53 N ATOM 108 CA ALA A 15 -18.114 21.287 -54.769 1.00 21.48 C ATOM 109 C ALA A 15 -18.955 20.074 -54.373 1.00 25.91 C ATOM 110 O ALA A 15 -18.734 19.006 -54.956 1.00 21.85 O ATOM 111 CB ALA A 15 -18.804 22.054 -55.882 1.00 29.74 C ATOM 0 H ALA A 15 -16.701 20.698 -56.030 1.00 16.53 H new ATOM 0 HA ALA A 15 -18.013 21.891 -54.016 1.00 21.48 H new ATOM 0 HB1 ALA A 15 -19.676 22.352 -55.578 1.00 29.74 H new ATOM 0 HB2 ALA A 15 -18.267 22.824 -56.126 1.00 29.74 H new ATOM 0 HB3 ALA A 15 -18.911 21.477 -56.654 1.00 29.74 H new ATOM 112 N MET A 16 -19.854 20.341 -53.462 1.00 18.05 N ATOM 113 CA MET A 16 -20.841 19.380 -52.981 1.00 20.72 C ATOM 114 C MET A 16 -20.234 18.096 -52.451 1.00 18.08 C ATOM 115 O MET A 16 -20.300 17.082 -53.177 1.00 15.17 O ATOM 116 CB MET A 16 -21.767 19.066 -54.168 1.00 18.91 C ATOM 117 CG MET A 16 -22.284 20.317 -54.834 1.00 22.60 C ATOM 118 SD MET A 16 -23.255 21.265 -53.636 1.00 22.81 S ATOM 119 CE MET A 16 -23.557 22.842 -54.449 1.00 22.99 C ATOM 0 H MET A 16 -19.919 21.111 -53.085 1.00 18.05 H new ATOM 0 HA MET A 16 -21.315 19.772 -52.231 1.00 20.72 H new ATOM 0 HB2 MET A 16 -21.286 18.530 -54.818 1.00 18.91 H new ATOM 0 HB3 MET A 16 -22.516 18.533 -53.859 1.00 18.91 H new ATOM 0 HG2 MET A 16 -21.544 20.851 -55.163 1.00 22.60 H new ATOM 0 HG3 MET A 16 -22.831 20.086 -55.601 1.00 22.60 H new ATOM 0 HE1 MET A 16 -24.078 23.413 -53.864 1.00 22.99 H new ATOM 0 HE2 MET A 16 -22.710 23.271 -54.649 1.00 22.99 H new ATOM 0 HE3 MET A 16 -24.046 22.693 -55.274 1.00 22.99 H new ATOM 120 N VAL A 17 -19.677 18.147 -51.263 1.00 17.02 N ATOM 121 CA VAL A 17 -19.024 16.976 -50.691 1.00 12.74 C ATOM 122 C VAL A 17 -19.495 16.562 -49.294 1.00 19.35 C ATOM 123 O VAL A 17 -20.041 17.326 -48.503 1.00 18.38 O ATOM 124 CB VAL A 17 -17.497 17.215 -50.591 1.00 13.10 C ATOM 125 CG1 VAL A 17 -16.830 17.381 -51.938 1.00 18.95 C ATOM 126 CG2 VAL A 17 -17.305 18.375 -49.633 1.00 15.57 C ATOM 0 H VAL A 17 -19.662 18.847 -50.764 1.00 17.02 H new ATOM 0 HA VAL A 17 -19.264 16.260 -51.300 1.00 12.74 H new ATOM 0 HB VAL A 17 -17.043 16.433 -50.240 1.00 13.10 H new ATOM 0 HG11 VAL A 17 -15.879 17.527 -51.813 1.00 18.95 H new ATOM 0 HG12 VAL A 17 -16.967 16.580 -52.468 1.00 18.95 H new ATOM 0 HG13 VAL A 17 -17.216 18.143 -52.399 1.00 18.95 H new ATOM 0 HG21 VAL A 17 -16.358 18.563 -49.538 1.00 15.57 H new ATOM 0 HG22 VAL A 17 -17.757 19.160 -49.980 1.00 15.57 H new ATOM 0 HG23 VAL A 17 -17.677 18.145 -48.767 1.00 15.57 H new ATOM 127 N PHE A 18 -19.247 15.271 -49.050 1.00 18.57 N ATOM 128 CA PHE A 18 -19.503 14.659 -47.735 1.00 10.94 C ATOM 129 C PHE A 18 -18.082 14.677 -47.136 1.00 14.74 C ATOM 130 O PHE A 18 -17.158 14.288 -47.876 1.00 14.14 O ATOM 131 CB PHE A 18 -20.075 13.249 -47.765 1.00 8.82 C ATOM 132 CG PHE A 18 -21.535 13.086 -48.027 1.00 11.67 C ATOM 133 CD1 PHE A 18 -22.467 13.156 -46.971 1.00 20.25 C ATOM 134 CD2 PHE A 18 -22.010 12.803 -49.309 1.00 17.51 C ATOM 135 CE1 PHE A 18 -23.834 12.983 -47.213 1.00 23.05 C ATOM 136 CE2 PHE A 18 -23.362 12.630 -49.571 1.00 13.38 C ATOM 137 CZ PHE A 18 -24.272 12.710 -48.532 1.00 14.46 C ATOM 0 H PHE A 18 -18.928 14.728 -49.635 1.00 18.57 H new ATOM 0 HA PHE A 18 -20.187 15.134 -47.237 1.00 10.94 H new ATOM 0 HB2 PHE A 18 -19.595 12.749 -48.443 1.00 8.82 H new ATOM 0 HB3 PHE A 18 -19.879 12.831 -46.912 1.00 8.82 H new ATOM 0 HD1 PHE A 18 -22.170 13.319 -46.105 1.00 20.25 H new ATOM 0 HD2 PHE A 18 -21.402 12.728 -50.009 1.00 17.51 H new ATOM 0 HE1 PHE A 18 -24.447 13.046 -46.517 1.00 23.05 H new ATOM 0 HE2 PHE A 18 -23.654 12.462 -50.438 1.00 13.38 H new ATOM 0 HZ PHE A 18 -25.178 12.584 -48.701 1.00 14.46 H new ATOM 138 N GLU A 19 -17.917 15.080 -45.889 1.00 17.03 N ATOM 139 CA GLU A 19 -16.597 15.066 -45.233 1.00 15.31 C ATOM 140 C GLU A 19 -16.720 14.336 -43.893 1.00 10.48 C ATOM 141 O GLU A 19 -17.442 14.843 -43.035 1.00 14.18 O ATOM 142 CB GLU A 19 -16.000 16.481 -45.023 1.00 17.73 C ATOM 143 CG GLU A 19 -15.284 16.887 -46.317 1.00 28.95 C ATOM 144 CD GLU A 19 -14.646 18.234 -46.357 1.00 84.99 C ATOM 145 OE1 GLU A 19 -14.782 19.010 -45.427 1.00 26.28 O ATOM 146 OE2 GLU A 19 -14.004 18.435 -47.415 1.00 28.45 O ATOM 0 H GLU A 19 -18.556 15.370 -45.392 1.00 17.03 H new ATOM 0 HA GLU A 19 -15.982 14.602 -45.822 1.00 15.31 H new ATOM 0 HB2 GLU A 19 -16.701 17.117 -44.809 1.00 17.73 H new ATOM 0 HB3 GLU A 19 -15.380 16.481 -44.277 1.00 17.73 H new ATOM 0 HG2 GLU A 19 -14.599 16.226 -46.500 1.00 28.95 H new ATOM 0 HG3 GLU A 19 -15.926 16.838 -47.042 1.00 28.95 H new ATOM 147 N PRO A 20 -16.138 13.165 -43.743 1.00 11.62 N ATOM 148 CA PRO A 20 -15.366 12.419 -44.730 1.00 12.38 C ATOM 149 C PRO A 20 -16.268 11.710 -45.737 1.00 12.02 C ATOM 150 O PRO A 20 -17.476 11.506 -45.486 1.00 14.52 O ATOM 151 CB PRO A 20 -14.630 11.403 -43.849 1.00 14.41 C ATOM 152 CG PRO A 20 -15.667 11.089 -42.788 1.00 14.12 C ATOM 153 CD PRO A 20 -16.275 12.432 -42.468 1.00 14.67 C ATOM 0 HA PRO A 20 -14.784 12.979 -45.268 1.00 12.38 H new ATOM 0 HB2 PRO A 20 -14.370 10.612 -44.347 1.00 14.41 H new ATOM 0 HB3 PRO A 20 -13.820 11.775 -43.466 1.00 14.41 H new ATOM 0 HG2 PRO A 20 -16.334 10.466 -43.116 1.00 14.12 H new ATOM 0 HG3 PRO A 20 -15.263 10.686 -42.004 1.00 14.12 H new ATOM 0 HD2 PRO A 20 -17.203 12.352 -42.197 1.00 14.67 H new ATOM 0 HD3 PRO A 20 -15.806 12.877 -41.745 1.00 14.67 H new ATOM 154 N ALA A 21 -15.734 11.282 -46.863 1.00 15.17 N ATOM 155 CA ALA A 21 -16.473 10.593 -47.931 1.00 13.73 C ATOM 156 C ALA A 21 -16.236 9.089 -47.843 1.00 13.00 C ATOM 157 O ALA A 21 -16.876 8.323 -48.549 1.00 14.76 O ATOM 158 CB ALA A 21 -16.092 11.165 -49.291 1.00 14.93 C ATOM 0 H ALA A 21 -14.899 11.383 -47.044 1.00 15.17 H new ATOM 0 HA ALA A 21 -17.425 10.742 -47.817 1.00 13.73 H new ATOM 0 HB1 ALA A 21 -16.586 10.703 -49.986 1.00 14.93 H new ATOM 0 HB2 ALA A 21 -16.307 12.111 -49.316 1.00 14.93 H new ATOM 0 HB3 ALA A 21 -15.140 11.046 -49.437 1.00 14.93 H new ATOM 159 N TYR A 22 -15.306 8.724 -46.979 1.00 12.24 N ATOM 160 CA TYR A 22 -14.954 7.325 -46.702 1.00 12.12 C ATOM 161 C TYR A 22 -15.155 7.138 -45.183 1.00 20.39 C ATOM 162 O TYR A 22 -14.414 7.736 -44.403 1.00 17.80 O ATOM 163 CB TYR A 22 -13.570 6.799 -47.064 1.00 17.36 C ATOM 164 CG TYR A 22 -13.381 5.309 -46.836 1.00 25.75 C ATOM 165 CD1 TYR A 22 -14.030 4.320 -47.589 1.00 36.80 C ATOM 166 CD2 TYR A 22 -12.516 4.887 -45.816 1.00 34.88 C ATOM 167 CE1 TYR A 22 -13.831 2.963 -47.350 1.00 40.10 C ATOM 168 CE2 TYR A 22 -12.307 3.528 -45.561 1.00 32.07 C ATOM 169 CZ TYR A 22 -12.960 2.575 -46.330 1.00 29.80 C ATOM 170 OH TYR A 22 -12.718 1.263 -46.040 1.00 52.15 O ATOM 0 H TYR A 22 -14.846 9.289 -46.522 1.00 12.24 H new ATOM 0 HA TYR A 22 -15.524 6.810 -47.293 1.00 12.12 H new ATOM 0 HB2 TYR A 22 -13.396 6.996 -47.998 1.00 17.36 H new ATOM 0 HB3 TYR A 22 -12.908 7.281 -46.544 1.00 17.36 H new ATOM 0 HD1 TYR A 22 -14.611 4.578 -48.268 1.00 36.80 H new ATOM 0 HD2 TYR A 22 -12.074 5.522 -45.300 1.00 34.88 H new ATOM 0 HE1 TYR A 22 -14.272 2.324 -47.862 1.00 40.10 H new ATOM 0 HE2 TYR A 22 -11.733 3.264 -44.879 1.00 32.07 H new ATOM 0 HH TYR A 22 -12.172 1.213 -45.403 1.00 52.15 H new ATOM 171 N ILE A 23 -16.155 6.346 -44.845 1.00 13.94 N ATOM 172 CA ILE A 23 -16.479 6.104 -43.430 1.00 15.23 C ATOM 173 C ILE A 23 -16.302 4.629 -43.084 1.00 18.27 C ATOM 174 O ILE A 23 -16.932 3.776 -43.697 1.00 18.82 O ATOM 175 CB ILE A 23 -17.910 6.665 -43.145 1.00 16.59 C ATOM 176 CG1 ILE A 23 -18.012 8.167 -43.504 1.00 23.53 C ATOM 177 CG2 ILE A 23 -18.343 6.320 -41.695 1.00 17.16 C ATOM 178 CD1 ILE A 23 -19.208 8.444 -44.461 1.00 16.25 C ATOM 0 H ILE A 23 -16.662 5.937 -45.407 1.00 13.94 H new ATOM 0 HA ILE A 23 -15.865 6.574 -42.845 1.00 15.23 H new ATOM 0 HB ILE A 23 -18.550 6.228 -43.728 1.00 16.59 H new ATOM 0 HG12 ILE A 23 -18.117 8.688 -42.693 1.00 23.53 H new ATOM 0 HG13 ILE A 23 -17.187 8.458 -43.923 1.00 23.53 H new ATOM 0 HG21 ILE A 23 -19.231 6.673 -41.530 1.00 17.16 H new ATOM 0 HG22 ILE A 23 -18.351 5.357 -41.580 1.00 17.16 H new ATOM 0 HG23 ILE A 23 -17.717 6.715 -41.068 1.00 17.16 H new ATOM 0 HD11 ILE A 23 -19.245 9.391 -44.667 1.00 16.25 H new ATOM 0 HD12 ILE A 23 -19.090 7.940 -45.281 1.00 16.25 H new ATOM 0 HD13 ILE A 23 -20.035 8.174 -44.032 1.00 16.25 H new ATOM 179 N LYS A 24 -15.435 4.390 -42.112 1.00 16.39 N ATOM 180 CA LYS A 24 -15.174 2.996 -41.650 1.00 18.11 C ATOM 181 C LYS A 24 -16.003 2.812 -40.390 1.00 26.62 C ATOM 182 O LYS A 24 -15.822 3.626 -39.458 1.00 22.62 O ATOM 183 CB LYS A 24 -13.674 2.788 -41.467 1.00 19.43 C ATOM 184 CG LYS A 24 -13.254 1.317 -41.602 1.00 78.49 C ATOM 185 CD LYS A 24 -14.431 0.380 -41.400 1.00 93.31 C ATOM 186 CE LYS A 24 -14.093 -1.021 -40.966 1.00 58.74 C ATOM 187 NZ LYS A 24 -14.043 -1.153 -39.486 1.00 46.83 N ATOM 0 H LYS A 24 -14.985 4.997 -41.701 1.00 16.39 H new ATOM 0 HA LYS A 24 -15.437 2.317 -42.291 1.00 18.11 H new ATOM 0 HB2 LYS A 24 -13.196 3.318 -42.124 1.00 19.43 H new ATOM 0 HB3 LYS A 24 -13.411 3.116 -40.593 1.00 19.43 H new ATOM 0 HG2 LYS A 24 -12.868 1.169 -42.480 1.00 78.49 H new ATOM 0 HG3 LYS A 24 -12.564 1.116 -40.951 1.00 78.49 H new ATOM 0 HD2 LYS A 24 -15.023 0.771 -40.738 1.00 93.31 H new ATOM 0 HD3 LYS A 24 -14.929 0.331 -42.231 1.00 93.31 H new ATOM 0 HE2 LYS A 24 -14.753 -1.636 -41.322 1.00 58.74 H new ATOM 0 HE3 LYS A 24 -13.236 -1.276 -41.341 1.00 58.74 H new ATOM 0 HZ1 LYS A 24 -13.841 -1.992 -39.269 1.00 46.83 H new ATOM 0 HZ2 LYS A 24 -13.422 -0.605 -39.160 1.00 46.83 H new ATOM 0 HZ3 LYS A 24 -14.836 -0.941 -39.142 1.00 46.83 H new ATOM 188 N ALA A 25 -16.893 1.839 -40.332 1.00 17.49 N ATOM 189 CA ALA A 25 -17.739 1.629 -39.151 1.00 10.43 C ATOM 190 C ALA A 25 -17.851 0.151 -38.829 1.00 18.98 C ATOM 191 O ALA A 25 -17.373 -0.700 -39.586 1.00 20.18 O ATOM 192 CB ALA A 25 -19.111 2.251 -39.414 1.00 13.40 C ATOM 0 H ALA A 25 -17.031 1.278 -40.969 1.00 17.49 H new ATOM 0 HA ALA A 25 -17.340 2.058 -38.378 1.00 10.43 H new ATOM 0 HB1 ALA A 25 -19.680 2.119 -38.640 1.00 13.40 H new ATOM 0 HB2 ALA A 25 -19.009 3.201 -39.581 1.00 13.40 H new ATOM 0 HB3 ALA A 25 -19.515 1.828 -40.188 1.00 13.40 H new ATOM 193 N ASN A 26 -18.475 -0.160 -37.702 1.00 17.85 N ATOM 194 CA ASN A 26 -18.705 -1.557 -37.273 1.00 17.58 C ATOM 195 C ASN A 26 -20.206 -1.649 -36.969 1.00 16.04 C ATOM 196 O ASN A 26 -20.823 -0.627 -36.674 1.00 14.58 O ATOM 197 CB ASN A 26 -17.846 -2.046 -36.127 1.00 29.44 C ATOM 198 CG ASN A 26 -16.416 -2.350 -36.552 1.00 37.85 C ATOM 199 OD1 ASN A 26 -15.536 -1.531 -36.247 1.00 42.56 O ATOM 200 ND2 ASN A 26 -16.223 -3.484 -37.228 1.00 50.53 N ATOM 0 H ASN A 26 -18.783 0.427 -37.154 1.00 17.85 H new ATOM 0 HA ASN A 26 -18.432 -2.157 -37.985 1.00 17.58 H new ATOM 0 HB2 ASN A 26 -17.835 -1.375 -35.427 1.00 29.44 H new ATOM 0 HB3 ASN A 26 -18.244 -2.845 -35.748 1.00 29.44 H new ATOM 0 HD21 ASN A 26 -15.433 -3.698 -37.491 1.00 50.53 H new ATOM 0 HD22 ASN A 26 -16.889 -4.000 -37.400 1.00 50.53 H new ATOM 201 N PRO A 27 -20.712 -2.873 -37.050 1.00 20.03 N ATOM 202 CA PRO A 27 -22.140 -3.115 -36.763 1.00 21.88 C ATOM 203 C PRO A 27 -22.505 -2.518 -35.416 1.00 22.56 C ATOM 204 O PRO A 27 -21.812 -2.779 -34.421 1.00 21.34 O ATOM 205 CB PRO A 27 -22.224 -4.632 -36.867 1.00 19.32 C ATOM 206 CG PRO A 27 -21.061 -5.063 -37.732 1.00 21.20 C ATOM 207 CD PRO A 27 -19.944 -4.090 -37.387 1.00 20.49 C ATOM 0 HA PRO A 27 -22.781 -2.696 -37.359 1.00 21.88 H new ATOM 0 HB2 PRO A 27 -22.173 -5.042 -35.990 1.00 19.32 H new ATOM 0 HB3 PRO A 27 -23.068 -4.906 -37.260 1.00 19.32 H new ATOM 0 HG2 PRO A 27 -20.802 -5.979 -37.544 1.00 21.20 H new ATOM 0 HG3 PRO A 27 -21.287 -5.020 -38.674 1.00 21.20 H new ATOM 0 HD2 PRO A 27 -19.406 -4.401 -36.642 1.00 20.49 H new ATOM 0 HD3 PRO A 27 -19.341 -3.947 -38.133 1.00 20.49 H new ATOM 208 N GLY A 28 -23.534 -1.704 -35.320 1.00 15.96 N ATOM 209 CA GLY A 28 -23.972 -1.038 -34.096 1.00 18.23 C ATOM 210 C GLY A 28 -23.539 0.423 -33.973 1.00 21.25 C ATOM 211 O GLY A 28 -24.108 1.166 -33.154 1.00 22.94 O ATOM 0 H GLY A 28 -24.027 -1.510 -35.997 1.00 15.96 H new ATOM 0 HA2 GLY A 28 -24.940 -1.081 -34.048 1.00 18.23 H new ATOM 0 HA3 GLY A 28 -23.628 -1.530 -33.334 1.00 18.23 H new ATOM 212 N ASP A 29 -22.583 0.857 -34.776 1.00 17.33 N ATOM 213 CA ASP A 29 -22.097 2.241 -34.782 1.00 15.12 C ATOM 214 C ASP A 29 -23.148 3.167 -35.377 1.00 17.60 C ATOM 215 O ASP A 29 -24.021 2.667 -36.089 1.00 16.32 O ATOM 216 CB ASP A 29 -20.852 2.363 -35.639 1.00 14.51 C ATOM 217 CG ASP A 29 -19.615 1.814 -34.969 1.00 22.69 C ATOM 218 OD1 ASP A 29 -19.727 1.576 -33.747 1.00 22.53 O ATOM 219 OD2 ASP A 29 -18.580 1.657 -35.620 1.00 21.43 O ATOM 0 H ASP A 29 -22.186 0.351 -35.347 1.00 17.33 H new ATOM 0 HA ASP A 29 -21.903 2.487 -33.864 1.00 15.12 H new ATOM 0 HB2 ASP A 29 -20.995 1.894 -36.476 1.00 14.51 H new ATOM 0 HB3 ASP A 29 -20.707 3.297 -35.858 1.00 14.51 H new ATOM 220 N THR A 30 -23.006 4.437 -35.100 1.00 13.97 N ATOM 221 CA THR A 30 -23.934 5.424 -35.653 1.00 12.30 C ATOM 222 C THR A 30 -23.086 6.365 -36.521 1.00 17.61 C ATOM 223 O THR A 30 -21.901 6.553 -36.281 1.00 13.94 O ATOM 224 CB THR A 30 -24.790 6.235 -34.623 1.00 15.02 C ATOM 225 OG1 THR A 30 -23.841 6.866 -33.746 1.00 17.18 O ATOM 226 CG2 THR A 30 -25.753 5.369 -33.827 1.00 15.63 C ATOM 0 H THR A 30 -22.387 4.761 -34.598 1.00 13.97 H new ATOM 0 HA THR A 30 -24.612 4.941 -36.151 1.00 12.30 H new ATOM 0 HB THR A 30 -25.353 6.872 -35.090 1.00 15.02 H new ATOM 0 HG1 THR A 30 -23.584 7.590 -34.085 1.00 17.18 H new ATOM 0 HG21 THR A 30 -26.253 5.925 -33.209 1.00 15.63 H new ATOM 0 HG22 THR A 30 -26.368 4.927 -34.433 1.00 15.63 H new ATOM 0 HG23 THR A 30 -25.254 4.702 -33.330 1.00 15.63 H new ATOM 227 N VAL A 31 -23.731 6.865 -37.547 1.00 14.81 N ATOM 228 CA VAL A 31 -23.148 7.833 -38.484 1.00 13.60 C ATOM 229 C VAL A 31 -24.126 9.017 -38.414 1.00 12.99 C ATOM 230 O VAL A 31 -25.324 8.870 -38.725 1.00 15.78 O ATOM 231 CB VAL A 31 -22.904 7.285 -39.891 1.00 17.76 C ATOM 232 CG1 VAL A 31 -22.188 8.374 -40.698 1.00 13.18 C ATOM 233 CG2 VAL A 31 -22.174 5.951 -39.876 1.00 15.35 C ATOM 0 H VAL A 31 -24.543 6.654 -37.735 1.00 14.81 H new ATOM 0 HA VAL A 31 -22.245 8.089 -38.240 1.00 13.60 H new ATOM 0 HB VAL A 31 -23.748 7.080 -40.323 1.00 17.76 H new ATOM 0 HG11 VAL A 31 -22.020 8.053 -41.598 1.00 13.18 H new ATOM 0 HG12 VAL A 31 -22.745 9.167 -40.737 1.00 13.18 H new ATOM 0 HG13 VAL A 31 -21.345 8.592 -40.271 1.00 13.18 H new ATOM 0 HG21 VAL A 31 -22.042 5.644 -40.787 1.00 15.35 H new ATOM 0 HG22 VAL A 31 -21.312 6.058 -39.443 1.00 15.35 H new ATOM 0 HG23 VAL A 31 -22.701 5.299 -39.388 1.00 15.35 H new ATOM 234 N THR A 32 -23.568 10.128 -37.983 1.00 12.80 N ATOM 235 CA THR A 32 -24.356 11.362 -37.852 1.00 15.38 C ATOM 236 C THR A 32 -24.046 12.314 -39.002 1.00 12.69 C ATOM 237 O THR A 32 -22.886 12.723 -39.131 1.00 15.01 O ATOM 238 CB THR A 32 -24.106 12.098 -36.470 1.00 20.20 C ATOM 239 OG1 THR A 32 -24.517 11.120 -35.455 1.00 16.13 O ATOM 240 CG2 THR A 32 -24.828 13.455 -36.434 1.00 17.47 C ATOM 0 H THR A 32 -22.741 10.202 -37.759 1.00 12.80 H new ATOM 0 HA THR A 32 -25.290 11.103 -37.881 1.00 15.38 H new ATOM 0 HB THR A 32 -23.183 12.350 -36.310 1.00 20.20 H new ATOM 0 HG1 THR A 32 -23.867 10.622 -35.266 1.00 16.13 H new ATOM 0 HG21 THR A 32 -24.662 13.887 -35.582 1.00 17.47 H new ATOM 0 HG22 THR A 32 -24.496 14.017 -37.151 1.00 17.47 H new ATOM 0 HG23 THR A 32 -25.782 13.317 -36.546 1.00 17.47 H new ATOM 241 N PHE A 33 -25.069 12.617 -39.768 1.00 13.88 N ATOM 242 CA PHE A 33 -24.880 13.520 -40.922 1.00 18.06 C ATOM 243 C PHE A 33 -25.374 14.913 -40.550 1.00 18.65 C ATOM 244 O PHE A 33 -26.565 15.028 -40.221 1.00 19.38 O ATOM 245 CB PHE A 33 -25.549 12.945 -42.160 1.00 14.99 C ATOM 246 CG PHE A 33 -25.043 11.621 -42.648 1.00 14.00 C ATOM 247 CD1 PHE A 33 -25.548 10.427 -42.122 1.00 17.22 C ATOM 248 CD2 PHE A 33 -24.070 11.566 -43.645 1.00 20.01 C ATOM 249 CE1 PHE A 33 -25.115 9.204 -42.601 1.00 16.32 C ATOM 250 CE2 PHE A 33 -23.586 10.353 -44.140 1.00 15.00 C ATOM 251 CZ PHE A 33 -24.142 9.166 -43.599 1.00 13.77 C ATOM 0 H PHE A 33 -25.871 12.327 -39.656 1.00 13.88 H new ATOM 0 HA PHE A 33 -23.939 13.600 -41.144 1.00 18.06 H new ATOM 0 HB2 PHE A 33 -26.498 12.858 -41.978 1.00 14.99 H new ATOM 0 HB3 PHE A 33 -25.456 13.588 -42.880 1.00 14.99 H new ATOM 0 HD1 PHE A 33 -26.182 10.456 -41.442 1.00 17.22 H new ATOM 0 HD2 PHE A 33 -23.733 12.361 -43.991 1.00 20.01 H new ATOM 0 HE1 PHE A 33 -25.469 8.414 -42.261 1.00 16.32 H new ATOM 0 HE2 PHE A 33 -22.927 10.325 -44.796 1.00 15.00 H new ATOM 0 HZ PHE A 33 -23.851 8.342 -43.918 1.00 13.77 H new ATOM 252 N ILE A 34 -24.460 15.874 -40.675 1.00 13.32 N ATOM 253 CA ILE A 34 -24.803 17.257 -40.340 1.00 16.69 C ATOM 254 C ILE A 34 -24.691 18.182 -41.535 1.00 12.67 C ATOM 255 O ILE A 34 -23.593 18.334 -42.070 1.00 18.03 O ATOM 256 CB ILE A 34 -23.808 17.700 -39.204 1.00 22.18 C ATOM 257 CG1 ILE A 34 -24.007 16.787 -37.972 1.00 20.57 C ATOM 258 CG2 ILE A 34 -23.980 19.190 -38.860 1.00 23.62 C ATOM 259 CD1 ILE A 34 -22.795 16.905 -37.018 1.00 21.80 C ATOM 0 H ILE A 34 -23.653 15.752 -40.946 1.00 13.32 H new ATOM 0 HA ILE A 34 -25.727 17.309 -40.050 1.00 16.69 H new ATOM 0 HB ILE A 34 -22.895 17.599 -39.516 1.00 22.18 H new ATOM 0 HG12 ILE A 34 -24.820 17.035 -37.505 1.00 20.57 H new ATOM 0 HG13 ILE A 34 -24.114 15.866 -38.257 1.00 20.57 H new ATOM 0 HG21 ILE A 34 -23.356 19.435 -38.159 1.00 23.62 H new ATOM 0 HG22 ILE A 34 -23.806 19.727 -39.649 1.00 23.62 H new ATOM 0 HG23 ILE A 34 -24.887 19.349 -38.555 1.00 23.62 H new ATOM 0 HD11 ILE A 34 -22.930 16.329 -36.250 1.00 21.80 H new ATOM 0 HD12 ILE A 34 -21.988 16.637 -37.485 1.00 21.80 H new ATOM 0 HD13 ILE A 34 -22.705 17.824 -36.721 1.00 21.80 H new ATOM 260 N PRO A 35 -25.801 18.763 -41.902 1.00 17.73 N ATOM 261 CA PRO A 35 -25.815 19.683 -43.045 1.00 17.59 C ATOM 262 C PRO A 35 -25.274 21.010 -42.562 1.00 27.38 C ATOM 263 O PRO A 35 -26.061 21.799 -42.026 1.00 35.78 O ATOM 264 CB PRO A 35 -27.276 19.773 -43.428 1.00 31.24 C ATOM 265 CG PRO A 35 -27.929 19.712 -42.062 1.00 48.28 C ATOM 266 CD PRO A 35 -27.125 18.646 -41.312 1.00 25.52 C ATOM 0 HA PRO A 35 -25.278 19.405 -43.803 1.00 17.59 H new ATOM 0 HB2 PRO A 35 -27.483 20.595 -43.899 1.00 31.24 H new ATOM 0 HB3 PRO A 35 -27.552 19.041 -44.001 1.00 31.24 H new ATOM 0 HG2 PRO A 35 -27.889 20.570 -41.611 1.00 48.28 H new ATOM 0 HG3 PRO A 35 -28.866 19.469 -42.127 1.00 48.28 H new ATOM 0 HD2 PRO A 35 -27.109 18.814 -40.357 1.00 25.52 H new ATOM 0 HD3 PRO A 35 -27.498 17.759 -41.438 1.00 25.52 H new ATOM 267 N VAL A 36 -23.996 21.200 -42.762 1.00 20.56 N ATOM 268 CA VAL A 36 -23.323 22.473 -42.372 1.00 28.62 C ATOM 269 C VAL A 36 -23.839 23.587 -43.272 1.00 39.11 C ATOM 270 O VAL A 36 -24.079 24.716 -42.828 1.00 28.22 O ATOM 271 CB VAL A 36 -21.832 22.135 -42.355 1.00 23.44 C ATOM 272 CG1 VAL A 36 -20.953 23.343 -42.166 1.00 27.52 C ATOM 273 CG2 VAL A 36 -21.606 21.078 -41.284 1.00 30.07 C ATOM 0 H VAL A 36 -23.475 20.618 -43.122 1.00 20.56 H new ATOM 0 HA VAL A 36 -23.517 22.831 -41.492 1.00 28.62 H new ATOM 0 HB VAL A 36 -21.574 21.786 -43.223 1.00 23.44 H new ATOM 0 HG11 VAL A 36 -20.022 23.069 -42.163 1.00 27.52 H new ATOM 0 HG12 VAL A 36 -21.103 23.969 -42.891 1.00 27.52 H new ATOM 0 HG13 VAL A 36 -21.166 23.770 -41.321 1.00 27.52 H new ATOM 0 HG21 VAL A 36 -20.665 20.845 -41.252 1.00 30.07 H new ATOM 0 HG22 VAL A 36 -21.881 21.427 -40.422 1.00 30.07 H new ATOM 0 HG23 VAL A 36 -22.127 20.288 -41.494 1.00 30.07 H new ATOM 274 N ASP A 37 -24.050 23.259 -44.530 1.00 28.35 N ATOM 275 CA ASP A 37 -24.595 24.118 -45.578 1.00 23.25 C ATOM 276 C ASP A 37 -25.996 23.577 -45.864 1.00 20.13 C ATOM 277 O ASP A 37 -26.228 22.360 -45.665 1.00 23.99 O ATOM 278 CB ASP A 37 -23.761 24.182 -46.852 1.00 20.50 C ATOM 279 CG ASP A 37 -22.409 24.855 -46.680 1.00 26.57 C ATOM 280 OD1 ASP A 37 -22.398 25.859 -45.932 1.00 48.34 O ATOM 281 OD2 ASP A 37 -21.371 24.441 -47.214 1.00 23.01 O ATOM 0 H ASP A 37 -23.867 22.471 -44.823 1.00 28.35 H new ATOM 0 HA ASP A 37 -24.599 25.037 -45.266 1.00 23.25 H new ATOM 0 HB2 ASP A 37 -23.622 23.280 -47.181 1.00 20.50 H new ATOM 0 HB3 ASP A 37 -24.263 24.658 -47.532 1.00 20.50 H new ATOM 282 N LYS A 38 -26.849 24.459 -46.344 1.00 22.84 N ATOM 283 CA LYS A 38 -28.226 24.032 -46.675 1.00 25.61 C ATOM 284 C LYS A 38 -28.255 23.424 -48.085 1.00 18.29 C ATOM 285 O LYS A 38 -27.357 23.641 -48.910 1.00 23.56 O ATOM 286 CB LYS A 38 -29.208 25.187 -46.518 1.00 61.34 C ATOM 287 CG LYS A 38 -29.189 25.810 -45.115 1.00 75.81 C ATOM 288 CD LYS A 38 -30.588 26.043 -44.565 1.00 51.94 C ATOM 289 CE LYS A 38 -30.617 26.223 -43.059 1.00 78.48 C ATOM 290 NZ ALYS A 38 -32.002 26.296 -42.526 0.50 40.21 N ATOM 291 NZ BLYS A 38 -30.640 24.925 -42.334 0.50 45.06 N ATOM 0 H LYS A 38 -26.674 25.289 -46.488 1.00 22.84 H new ATOM 0 HA LYS A 38 -28.509 23.345 -46.051 1.00 25.61 H new ATOM 0 HB2 LYS A 38 -29.000 25.872 -47.173 1.00 61.34 H new ATOM 0 HB3 LYS A 38 -30.104 24.871 -46.713 1.00 61.34 H new ATOM 0 HG2 LYS A 38 -28.700 25.228 -44.512 1.00 75.81 H new ATOM 0 HG3 LYS A 38 -28.711 26.654 -45.145 1.00 75.81 H new ATOM 0 HD2 LYS A 38 -30.968 26.830 -44.986 1.00 51.94 H new ATOM 0 HD3 LYS A 38 -31.153 25.292 -44.806 1.00 51.94 H new ATOM 0 HE2ALYS A 38 -30.149 25.485 -42.638 0.50 78.48 H new ATOM 0 HE2BLYS A 38 -29.839 26.732 -42.781 0.50 78.48 H new ATOM 0 HE3ALYS A 38 -30.139 27.033 -42.823 0.50 78.48 H new ATOM 0 HE3BLYS A 38 -31.398 26.742 -42.813 0.50 78.48 H new ATOM 0 HZ1ALYS A 38 -31.975 26.401 -41.643 0.50 45.06 H new ATOM 0 HZ1BLYS A 38 -30.657 25.075 -41.457 0.50 45.06 H new ATOM 0 HZ2ALYS A 38 -32.426 26.987 -42.894 0.50 45.06 H new ATOM 0 HZ2BLYS A 38 -31.365 24.466 -42.570 0.50 45.06 H new ATOM 0 HZ3ALYS A 38 -32.436 25.544 -42.722 0.50 45.06 H new ATOM 0 HZ3BLYS A 38 -29.912 24.456 -42.541 0.50 45.06 H new ATOM 292 N GLY A 39 -29.299 22.658 -48.338 1.00 20.92 N ATOM 293 CA GLY A 39 -29.550 22.004 -49.618 1.00 21.73 C ATOM 294 C GLY A 39 -29.038 20.582 -49.740 1.00 23.85 C ATOM 295 O GLY A 39 -28.892 20.101 -50.867 1.00 24.88 O ATOM 0 H GLY A 39 -29.906 22.495 -47.751 1.00 20.92 H new ATOM 0 HA2 GLY A 39 -30.507 22.001 -49.779 1.00 21.73 H new ATOM 0 HA3 GLY A 39 -29.146 22.537 -50.320 1.00 21.73 H new ATOM 296 N HIS A 40 -28.787 19.946 -48.619 1.00 21.06 N ATOM 297 CA HIS A 40 -28.261 18.581 -48.599 1.00 16.66 C ATOM 298 C HIS A 40 -29.056 17.597 -47.771 1.00 19.58 C ATOM 299 O HIS A 40 -29.666 17.990 -46.770 1.00 21.79 O ATOM 300 CB HIS A 40 -26.863 18.592 -47.919 1.00 17.57 C ATOM 301 CG HIS A 40 -25.962 19.583 -48.570 1.00 20.97 C ATOM 302 ND1 HIS A 40 -25.414 19.451 -49.821 1.00 23.58 N ATOM 303 CD2 HIS A 40 -25.532 20.775 -48.087 1.00 19.45 C ATOM 304 CE1 HIS A 40 -24.665 20.502 -50.104 1.00 20.59 C ATOM 305 NE2 HIS A 40 -24.730 21.302 -49.067 1.00 22.43 N ATOM 0 H HIS A 40 -28.914 20.286 -47.839 1.00 21.06 H new ATOM 0 HA HIS A 40 -28.274 18.304 -49.529 1.00 16.66 H new ATOM 0 HB2 HIS A 40 -26.959 18.806 -46.978 1.00 17.57 H new ATOM 0 HB3 HIS A 40 -26.468 17.708 -47.970 1.00 17.57 H new ATOM 0 HD2 HIS A 40 -25.738 21.155 -47.264 1.00 19.45 H new ATOM 0 HE1 HIS A 40 -24.185 20.646 -50.887 1.00 20.59 H new ATOM 0 HE2 HIS A 40 -24.323 22.058 -49.009 1.00 22.43 H new ATOM 306 N ASN A 41 -28.997 16.334 -48.160 1.00 14.62 N ATOM 307 CA ASN A 41 -29.651 15.212 -47.452 1.00 11.53 C ATOM 308 C ASN A 41 -28.726 13.988 -47.709 1.00 11.43 C ATOM 309 O ASN A 41 -27.628 14.137 -48.292 1.00 14.42 O ATOM 310 CB ASN A 41 -31.112 15.033 -47.795 1.00 11.38 C ATOM 311 CG ASN A 41 -31.331 14.188 -49.056 1.00 13.19 C ATOM 312 OD1 ASN A 41 -30.507 14.387 -49.972 1.00 18.51 O ATOM 313 ND2 ASN A 41 -32.338 13.335 -49.054 1.00 17.47 N ATOM 0 H ASN A 41 -28.566 16.085 -48.862 1.00 14.62 H new ATOM 0 HA ASN A 41 -29.728 15.373 -46.498 1.00 11.53 H new ATOM 0 HB2 ASN A 41 -31.566 14.613 -47.047 1.00 11.38 H new ATOM 0 HB3 ASN A 41 -31.519 15.905 -47.921 1.00 11.38 H new ATOM 0 HD21 ASN A 41 -32.482 12.838 -49.741 1.00 17.47 H new ATOM 0 HD22 ASN A 41 -32.850 13.276 -48.366 1.00 17.47 H new ATOM 314 N VAL A 42 -29.205 12.855 -47.253 1.00 12.40 N ATOM 315 CA VAL A 42 -28.497 11.569 -47.430 1.00 13.91 C ATOM 316 C VAL A 42 -29.566 10.531 -47.783 1.00 14.93 C ATOM 317 O VAL A 42 -30.677 10.489 -47.241 1.00 18.64 O ATOM 318 CB VAL A 42 -27.619 11.221 -46.224 1.00 18.70 C ATOM 319 CG1 VAL A 42 -28.437 10.926 -44.989 1.00 23.51 C ATOM 320 CG2 VAL A 42 -26.717 10.035 -46.530 1.00 24.60 C ATOM 0 H VAL A 42 -29.950 12.790 -46.829 1.00 12.40 H new ATOM 0 HA VAL A 42 -27.852 11.607 -48.153 1.00 13.91 H new ATOM 0 HB VAL A 42 -27.073 12.003 -46.045 1.00 18.70 H new ATOM 0 HG11 VAL A 42 -27.844 10.711 -44.252 1.00 23.51 H new ATOM 0 HG12 VAL A 42 -28.969 11.704 -44.760 1.00 23.51 H new ATOM 0 HG13 VAL A 42 -29.024 10.173 -45.161 1.00 23.51 H new ATOM 0 HG21 VAL A 42 -26.172 9.834 -45.753 1.00 24.60 H new ATOM 0 HG22 VAL A 42 -27.261 9.263 -46.751 1.00 24.60 H new ATOM 0 HG23 VAL A 42 -26.142 10.251 -47.281 1.00 24.60 H new ATOM 321 N GLU A 43 -29.203 9.707 -48.745 1.00 13.82 N ATOM 322 CA GLU A 43 -30.093 8.664 -49.244 1.00 13.41 C ATOM 323 C GLU A 43 -29.266 7.498 -49.758 1.00 13.59 C ATOM 324 O GLU A 43 -28.214 7.700 -50.367 1.00 14.33 O ATOM 325 CB GLU A 43 -30.908 9.257 -50.396 1.00 15.58 C ATOM 326 CG GLU A 43 -32.067 8.389 -50.784 1.00 22.01 C ATOM 327 CD GLU A 43 -32.807 8.619 -52.056 1.00 35.23 C ATOM 328 OE1 GLU A 43 -32.617 9.751 -52.546 1.00 22.68 O ATOM 329 OE2 GLU A 43 -33.531 7.767 -52.539 1.00 40.92 O ATOM 0 H GLU A 43 -28.435 9.731 -49.131 1.00 13.82 H new ATOM 0 HA GLU A 43 -30.679 8.349 -48.538 1.00 13.41 H new ATOM 0 HB2 GLU A 43 -31.235 10.133 -50.139 1.00 15.58 H new ATOM 0 HB3 GLU A 43 -30.331 9.384 -51.165 1.00 15.58 H new ATOM 0 HG2 GLU A 43 -31.743 7.475 -50.806 1.00 22.01 H new ATOM 0 HG3 GLU A 43 -32.715 8.443 -50.065 1.00 22.01 H new ATOM 330 N SER A 44 -29.769 6.300 -49.437 1.00 15.05 N ATOM 331 CA SER A 44 -29.116 5.051 -49.872 1.00 15.92 C ATOM 332 C SER A 44 -29.412 4.917 -51.388 1.00 18.53 C ATOM 333 O SER A 44 -30.477 5.329 -51.873 1.00 20.71 O ATOM 334 CB SER A 44 -29.537 3.786 -49.133 1.00 14.40 C ATOM 335 OG SER A 44 -30.939 3.660 -49.170 1.00 17.49 O ATOM 0 H SER A 44 -30.483 6.186 -48.971 1.00 15.05 H new ATOM 0 HA SER A 44 -28.171 5.123 -49.666 1.00 15.92 H new ATOM 0 HB2 SER A 44 -29.123 3.009 -49.541 1.00 14.40 H new ATOM 0 HB3 SER A 44 -29.231 3.821 -48.213 1.00 14.40 H new ATOM 0 HG SER A 44 -31.248 4.142 -49.785 1.00 17.49 H new ATOM 336 N ILE A 45 -28.401 4.446 -52.089 1.00 19.40 N ATOM 337 CA ILE A 45 -28.522 4.234 -53.539 1.00 20.93 C ATOM 338 C ILE A 45 -29.050 2.815 -53.744 1.00 32.31 C ATOM 339 O ILE A 45 -28.437 1.905 -53.141 1.00 20.58 O ATOM 340 CB ILE A 45 -27.175 4.460 -54.276 1.00 15.94 C ATOM 341 CG1 ILE A 45 -26.726 5.921 -54.055 1.00 17.31 C ATOM 342 CG2 ILE A 45 -27.321 4.136 -55.790 1.00 17.24 C ATOM 343 CD1 ILE A 45 -25.313 6.281 -54.602 1.00 14.70 C ATOM 0 H ILE A 45 -27.635 4.240 -51.757 1.00 19.40 H new ATOM 0 HA ILE A 45 -29.135 4.882 -53.921 1.00 20.93 H new ATOM 0 HB ILE A 45 -26.499 3.864 -53.918 1.00 15.94 H new ATOM 0 HG12 ILE A 45 -27.376 6.509 -54.471 1.00 17.31 H new ATOM 0 HG13 ILE A 45 -26.744 6.107 -53.103 1.00 17.31 H new ATOM 0 HG21 ILE A 45 -26.472 4.282 -56.236 1.00 17.24 H new ATOM 0 HG22 ILE A 45 -27.588 3.210 -55.899 1.00 17.24 H new ATOM 0 HG23 ILE A 45 -27.995 4.714 -56.181 1.00 17.24 H new ATOM 0 HD11 ILE A 45 -25.122 7.214 -54.417 1.00 14.70 H new ATOM 0 HD12 ILE A 45 -24.647 5.723 -54.171 1.00 14.70 H new ATOM 0 HD13 ILE A 45 -25.289 6.131 -55.560 1.00 14.70 H new ATOM 344 N LYS A 46 -30.095 2.644 -54.540 1.00 22.92 N ATOM 345 CA LYS A 46 -30.659 1.318 -54.829 1.00 22.41 C ATOM 346 C LYS A 46 -29.570 0.350 -55.326 1.00 17.92 C ATOM 347 O LYS A 46 -28.738 0.683 -56.186 1.00 22.16 O ATOM 348 CB LYS A 46 -31.745 1.340 -55.915 1.00 35.13 C ATOM 349 CG LYS A 46 -32.392 -0.018 -56.208 1.00 65.73 C ATOM 350 CD LYS A 46 -33.077 -0.092 -57.564 1.00 91.10 C ATOM 351 CE LYS A 46 -33.283 -1.521 -58.040 1.00 85.96 C ATOM 352 NZ LYS A 46 -32.141 -1.974 -58.886 1.00 89.16 N ATOM 0 H LYS A 46 -30.504 3.291 -54.933 1.00 22.92 H new ATOM 0 HA LYS A 46 -31.046 1.028 -53.988 1.00 22.41 H new ATOM 0 HB2 LYS A 46 -32.439 1.963 -55.648 1.00 35.13 H new ATOM 0 HB3 LYS A 46 -31.357 1.682 -56.735 1.00 35.13 H new ATOM 0 HG2 LYS A 46 -31.712 -0.708 -56.161 1.00 65.73 H new ATOM 0 HG3 LYS A 46 -33.042 -0.213 -55.515 1.00 65.73 H new ATOM 0 HD2 LYS A 46 -33.936 0.355 -57.513 1.00 91.10 H new ATOM 0 HD3 LYS A 46 -32.545 0.389 -58.217 1.00 91.10 H new ATOM 0 HE2 LYS A 46 -33.376 -2.110 -57.275 1.00 85.96 H new ATOM 0 HE3 LYS A 46 -34.108 -1.581 -58.546 1.00 85.96 H new ATOM 0 HZ1 LYS A 46 -32.445 -2.489 -59.545 1.00 89.16 H new ATOM 0 HZ2 LYS A 46 -31.728 -1.265 -59.231 1.00 89.16 H new ATOM 0 HZ3 LYS A 46 -31.568 -2.438 -58.388 1.00 89.16 H new ATOM 353 N ASP A 47 -29.585 -0.826 -54.723 1.00 23.35 N ATOM 354 CA ASP A 47 -28.642 -1.895 -55.029 1.00 28.28 C ATOM 355 C ASP A 47 -27.197 -1.576 -54.705 1.00 23.76 C ATOM 356 O ASP A 47 -26.326 -2.344 -55.161 1.00 22.60 O ATOM 357 CB ASP A 47 -28.887 -2.394 -56.473 1.00 31.64 C ATOM 358 CG ASP A 47 -30.035 -3.416 -56.317 1.00106.99 C ATOM 359 OD1 ASP A 47 -29.852 -4.328 -55.465 1.00 93.55 O ATOM 360 OD2 ASP A 47 -31.096 -3.330 -56.957 1.00 86.53 O ATOM 0 H ASP A 47 -30.153 -1.033 -54.112 1.00 23.35 H new ATOM 0 HA ASP A 47 -28.819 -2.633 -54.424 1.00 28.28 H new ATOM 0 HB2 ASP A 47 -29.136 -1.666 -57.064 1.00 31.64 H new ATOM 0 HB3 ASP A 47 -28.092 -2.805 -56.848 1.00 31.64 H new ATOM 361 N MET A 48 -26.989 -0.520 -53.932 1.00 13.43 N ATOM 362 CA MET A 48 -25.596 -0.203 -53.557 1.00 11.14 C ATOM 363 C MET A 48 -25.491 -0.241 -52.034 1.00 18.05 C ATOM 364 O MET A 48 -24.644 0.462 -51.505 1.00 15.04 O ATOM 365 CB MET A 48 -25.050 1.038 -54.213 1.00 10.29 C ATOM 366 CG MET A 48 -24.943 0.781 -55.722 1.00 17.79 C ATOM 367 SD MET A 48 -24.136 2.269 -56.384 1.00 25.93 S ATOM 368 CE MET A 48 -24.881 2.391 -58.018 1.00 34.62 C ATOM 0 H MET A 48 -27.595 0.006 -53.623 1.00 13.43 H new ATOM 0 HA MET A 48 -25.002 -0.881 -53.914 1.00 11.14 H new ATOM 0 HB2 MET A 48 -25.631 1.795 -54.040 1.00 10.29 H new ATOM 0 HB3 MET A 48 -24.180 1.259 -53.846 1.00 10.29 H new ATOM 0 HG2 MET A 48 -24.422 -0.016 -55.908 1.00 17.79 H new ATOM 0 HG3 MET A 48 -25.817 0.647 -56.120 1.00 17.79 H new ATOM 0 HE1 MET A 48 -24.256 2.063 -58.684 1.00 34.62 H new ATOM 0 HE2 MET A 48 -25.691 1.858 -58.045 1.00 34.62 H new ATOM 0 HE3 MET A 48 -25.098 3.317 -58.207 1.00 34.62 H new ATOM 369 N ILE A 49 -26.295 -1.038 -51.367 1.00 21.24 N ATOM 370 CA ILE A 49 -26.253 -1.252 -49.908 1.00 16.55 C ATOM 371 C ILE A 49 -26.318 -2.773 -49.785 1.00 21.22 C ATOM 372 O ILE A 49 -26.794 -3.427 -50.735 1.00 20.65 O ATOM 373 CB ILE A 49 -27.261 -0.415 -49.065 1.00 16.23 C ATOM 374 CG1 ILE A 49 -28.705 -0.907 -49.305 1.00 17.50 C ATOM 375 CG2 ILE A 49 -27.067 1.097 -49.349 1.00 14.48 C ATOM 376 CD1 ILE A 49 -29.749 -0.287 -48.342 1.00 18.98 C ATOM 0 H ILE A 49 -26.912 -1.496 -51.754 1.00 21.24 H new ATOM 0 HA ILE A 49 -25.448 -0.901 -49.496 1.00 16.55 H new ATOM 0 HB ILE A 49 -27.086 -0.543 -48.120 1.00 16.23 H new ATOM 0 HG12 ILE A 49 -28.959 -0.702 -50.218 1.00 17.50 H new ATOM 0 HG13 ILE A 49 -28.728 -1.872 -49.214 1.00 17.50 H new ATOM 0 HG21 ILE A 49 -27.698 1.609 -48.820 1.00 14.48 H new ATOM 0 HG22 ILE A 49 -26.163 1.357 -49.114 1.00 14.48 H new ATOM 0 HG23 ILE A 49 -27.218 1.272 -50.291 1.00 14.48 H new ATOM 0 HD11 ILE A 49 -30.629 -0.639 -48.549 1.00 18.98 H new ATOM 0 HD12 ILE A 49 -29.518 -0.511 -47.427 1.00 18.98 H new ATOM 0 HD13 ILE A 49 -29.754 0.677 -48.447 1.00 18.98 H new ATOM 377 N PRO A 50 -25.797 -3.300 -48.703 1.00 17.50 N ATOM 378 CA PRO A 50 -25.761 -4.745 -48.499 1.00 20.08 C ATOM 379 C PRO A 50 -27.126 -5.412 -48.474 1.00 29.15 C ATOM 380 O PRO A 50 -28.154 -4.810 -48.141 1.00 28.62 O ATOM 381 CB PRO A 50 -25.075 -4.982 -47.161 1.00 19.04 C ATOM 382 CG PRO A 50 -24.305 -3.716 -46.953 1.00 18.20 C ATOM 383 CD PRO A 50 -25.187 -2.619 -47.567 1.00 21.69 C ATOM 0 HA PRO A 50 -25.291 -5.138 -49.251 1.00 20.08 H new ATOM 0 HB2 PRO A 50 -25.717 -5.134 -46.450 1.00 19.04 H new ATOM 0 HB3 PRO A 50 -24.492 -5.757 -47.188 1.00 19.04 H new ATOM 0 HG2 PRO A 50 -24.144 -3.552 -46.011 1.00 18.20 H new ATOM 0 HG3 PRO A 50 -23.438 -3.755 -47.387 1.00 18.20 H new ATOM 0 HD2 PRO A 50 -25.853 -2.298 -46.939 1.00 21.69 H new ATOM 0 HD3 PRO A 50 -24.665 -1.850 -47.845 1.00 21.69 H new ATOM 384 N GLU A 51 -27.051 -6.686 -48.814 1.00 35.07 N ATOM 385 CA GLU A 51 -28.253 -7.550 -48.810 1.00 56.34 C ATOM 386 C GLU A 51 -28.721 -7.602 -47.358 1.00 55.11 C ATOM 387 O GLU A 51 -27.968 -7.939 -46.413 1.00 36.43 O ATOM 388 CB GLU A 51 -27.911 -8.899 -49.412 1.00 78.38 C ATOM 389 CG GLU A 51 -27.979 -8.947 -50.950 1.00 58.80 C ATOM 390 CD GLU A 51 -29.376 -9.183 -51.472 1.00106.99 C ATOM 391 OE1 GLU A 51 -29.778 -10.324 -51.122 1.00100.97 O ATOM 392 OE2 GLU A 51 -30.034 -8.395 -52.135 1.00102.90 O ATOM 0 H GLU A 51 -26.325 -7.082 -49.051 1.00 35.07 H new ATOM 0 HA GLU A 51 -28.979 -7.212 -49.358 1.00 56.34 H new ATOM 0 HB2 GLU A 51 -27.017 -9.149 -49.131 1.00 78.38 H new ATOM 0 HB3 GLU A 51 -28.518 -9.565 -49.052 1.00 78.38 H new ATOM 0 HG2 GLU A 51 -27.642 -8.112 -51.310 1.00 58.80 H new ATOM 0 HG3 GLU A 51 -27.395 -9.651 -51.273 1.00 58.80 H new ATOM 393 N GLY A 52 -29.968 -7.168 -47.193 1.00 36.89 N ATOM 394 CA GLY A 52 -30.568 -7.132 -45.853 1.00 55.45 C ATOM 395 C GLY A 52 -30.550 -5.824 -45.097 1.00 43.73 C ATOM 396 O GLY A 52 -31.116 -5.789 -43.980 1.00 34.82 O ATOM 0 H GLY A 52 -30.479 -6.894 -47.828 1.00 36.89 H new ATOM 0 HA2 GLY A 52 -31.492 -7.414 -45.935 1.00 55.45 H new ATOM 0 HA3 GLY A 52 -30.116 -7.795 -45.308 1.00 55.45 H new ATOM 397 N ALA A 53 -29.934 -4.792 -45.642 1.00 21.00 N ATOM 398 CA ALA A 53 -29.885 -3.473 -45.002 1.00 24.13 C ATOM 399 C ALA A 53 -31.169 -2.757 -45.436 1.00 24.33 C ATOM 400 O ALA A 53 -31.598 -3.053 -46.561 1.00 31.86 O ATOM 401 CB ALA A 53 -28.684 -2.667 -45.462 1.00 27.87 C ATOM 0 H ALA A 53 -29.527 -4.828 -46.399 1.00 21.00 H new ATOM 0 HA ALA A 53 -29.810 -3.566 -44.039 1.00 24.13 H new ATOM 0 HB1 ALA A 53 -28.685 -1.804 -45.019 1.00 27.87 H new ATOM 0 HB2 ALA A 53 -27.869 -3.144 -45.239 1.00 27.87 H new ATOM 0 HB3 ALA A 53 -28.729 -2.538 -46.422 1.00 27.87 H new ATOM 402 N GLU A 54 -31.653 -1.845 -44.616 1.00 28.64 N ATOM 403 CA GLU A 54 -32.875 -1.116 -44.990 1.00 36.37 C ATOM 404 C GLU A 54 -32.468 0.167 -45.719 1.00 25.12 C ATOM 405 O GLU A 54 -31.416 0.718 -45.418 1.00 25.39 O ATOM 406 CB GLU A 54 -33.784 -0.664 -43.847 1.00 44.75 C ATOM 407 CG GLU A 54 -33.767 -1.494 -42.574 1.00 98.42 C ATOM 408 CD GLU A 54 -35.020 -1.990 -41.919 1.00106.99 C ATOM 409 OE1 GLU A 54 -35.954 -2.590 -42.456 1.00 98.49 O ATOM 410 OE2 GLU A 54 -34.995 -1.745 -40.676 1.00103.96 O ATOM 0 H GLU A 54 -31.310 -1.629 -43.858 1.00 28.64 H new ATOM 0 HA GLU A 54 -33.378 -1.756 -45.517 1.00 36.37 H new ATOM 0 HB2 GLU A 54 -33.544 0.247 -43.615 1.00 44.75 H new ATOM 0 HB3 GLU A 54 -34.695 -0.642 -44.179 1.00 44.75 H new ATOM 0 HG2 GLU A 54 -33.223 -2.275 -42.760 1.00 98.42 H new ATOM 0 HG3 GLU A 54 -33.294 -0.971 -41.908 1.00 98.42 H new ATOM 411 N LYS A 55 -33.323 0.536 -46.636 1.00 24.24 N ATOM 412 CA LYS A 55 -33.198 1.741 -47.439 1.00 24.46 C ATOM 413 C LYS A 55 -33.472 2.906 -46.491 1.00 25.10 C ATOM 414 O LYS A 55 -34.194 2.784 -45.500 1.00 29.29 O ATOM 415 CB LYS A 55 -34.159 1.740 -48.624 1.00 30.70 C ATOM 416 CG LYS A 55 -33.469 1.038 -49.805 1.00 67.95 C ATOM 417 CD LYS A 55 -34.353 -0.006 -50.462 1.00 96.38 C ATOM 418 CE LYS A 55 -33.532 -1.272 -50.677 1.00106.99 C ATOM 419 NZ LYS A 55 -32.865 -1.663 -49.402 1.00103.26 N ATOM 0 H LYS A 55 -34.026 0.078 -46.823 1.00 24.24 H new ATOM 0 HA LYS A 55 -32.313 1.807 -47.831 1.00 24.46 H new ATOM 0 HB2 LYS A 55 -34.981 1.281 -48.392 1.00 30.70 H new ATOM 0 HB3 LYS A 55 -34.400 2.648 -48.865 1.00 30.70 H new ATOM 0 HG2 LYS A 55 -33.212 1.701 -50.465 1.00 67.95 H new ATOM 0 HG3 LYS A 55 -32.653 0.616 -49.494 1.00 67.95 H new ATOM 0 HD2 LYS A 55 -35.123 -0.195 -49.903 1.00 96.38 H new ATOM 0 HD3 LYS A 55 -34.691 0.324 -51.309 1.00 96.38 H new ATOM 0 HE2 LYS A 55 -34.105 -1.991 -50.986 1.00106.99 H new ATOM 0 HE3 LYS A 55 -32.867 -1.123 -51.367 1.00106.99 H new ATOM 0 HZ1 LYS A 55 -31.982 -1.639 -49.509 1.00103.26 H new ATOM 0 HZ2 LYS A 55 -33.101 -1.096 -48.758 1.00103.26 H new ATOM 0 HZ3 LYS A 55 -33.114 -2.487 -49.177 1.00103.26 H new ATOM 420 N PHE A 56 -32.854 4.033 -46.810 1.00 21.46 N ATOM 421 CA PHE A 56 -32.995 5.242 -45.978 1.00 23.76 C ATOM 422 C PHE A 56 -32.904 6.500 -46.835 1.00 25.70 C ATOM 423 O PHE A 56 -32.289 6.514 -47.905 1.00 23.37 O ATOM 424 CB PHE A 56 -31.989 5.236 -44.828 1.00 23.96 C ATOM 425 CG PHE A 56 -30.542 5.124 -45.181 1.00 18.10 C ATOM 426 CD1 PHE A 56 -29.799 6.293 -45.434 1.00 24.20 C ATOM 427 CD2 PHE A 56 -29.938 3.867 -45.231 1.00 19.96 C ATOM 428 CE1 PHE A 56 -28.441 6.170 -45.759 1.00 22.51 C ATOM 429 CE2 PHE A 56 -28.593 3.736 -45.552 1.00 22.60 C ATOM 430 CZ PHE A 56 -27.852 4.890 -45.809 1.00 20.49 C ATOM 0 H PHE A 56 -32.348 4.129 -47.499 1.00 21.46 H new ATOM 0 HA PHE A 56 -33.877 5.241 -45.573 1.00 23.76 H new ATOM 0 HB2 PHE A 56 -32.111 6.053 -44.319 1.00 23.96 H new ATOM 0 HB3 PHE A 56 -32.212 4.498 -44.239 1.00 23.96 H new ATOM 0 HD1 PHE A 56 -30.201 7.130 -45.386 1.00 24.20 H new ATOM 0 HD2 PHE A 56 -30.442 3.108 -45.047 1.00 19.96 H new ATOM 0 HE1 PHE A 56 -27.932 6.927 -45.940 1.00 22.51 H new ATOM 0 HE2 PHE A 56 -28.195 2.897 -45.595 1.00 22.60 H new ATOM 0 HZ PHE A 56 -26.949 4.813 -46.018 1.00 20.49 H new ATOM 431 N LYS A 57 -33.505 7.553 -46.307 1.00 20.61 N ATOM 432 CA LYS A 57 -33.524 8.861 -46.985 1.00 24.56 C ATOM 433 C LYS A 57 -33.883 9.930 -45.973 1.00 17.81 C ATOM 434 O LYS A 57 -35.026 9.936 -45.481 1.00 37.60 O ATOM 435 CB LYS A 57 -34.538 8.757 -48.129 1.00 21.37 C ATOM 436 CG LYS A 57 -34.657 10.033 -48.928 1.00 26.88 C ATOM 437 CD LYS A 57 -35.777 10.089 -49.953 1.00 48.14 C ATOM 438 CE LYS A 57 -35.875 11.495 -50.545 1.00 49.44 C ATOM 439 NZ LYS A 57 -36.571 11.512 -51.855 1.00 59.88 N ATOM 0 H LYS A 57 -33.914 7.541 -45.551 1.00 20.61 H new ATOM 0 HA LYS A 57 -32.662 9.104 -47.356 1.00 24.56 H new ATOM 0 HB2 LYS A 57 -34.278 8.034 -48.721 1.00 21.37 H new ATOM 0 HB3 LYS A 57 -35.407 8.527 -47.765 1.00 21.37 H new ATOM 0 HG2 LYS A 57 -34.776 10.769 -48.308 1.00 26.88 H new ATOM 0 HG3 LYS A 57 -33.816 10.182 -49.388 1.00 26.88 H new ATOM 0 HD2 LYS A 57 -35.612 9.444 -50.658 1.00 48.14 H new ATOM 0 HD3 LYS A 57 -36.619 9.846 -49.537 1.00 48.14 H new ATOM 0 HE2 LYS A 57 -36.346 12.072 -49.924 1.00 49.44 H new ATOM 0 HE3 LYS A 57 -34.983 11.861 -50.651 1.00 49.44 H new ATOM 0 HZ1 LYS A 57 -36.606 12.347 -52.162 1.00 59.88 H new ATOM 0 HZ2 LYS A 57 -36.128 11.001 -52.434 1.00 59.88 H new ATOM 0 HZ3 LYS A 57 -37.398 11.198 -51.756 1.00 59.88 H new ATOM 440 N SER A 58 -32.957 10.787 -45.673 1.00 20.16 N ATOM 441 CA SER A 58 -33.203 11.865 -44.705 1.00 17.60 C ATOM 442 C SER A 58 -33.811 13.057 -45.426 1.00 23.65 C ATOM 443 O SER A 58 -33.791 13.162 -46.664 1.00 25.74 O ATOM 444 CB SER A 58 -31.888 12.251 -44.074 1.00 15.08 C ATOM 445 OG SER A 58 -31.210 13.081 -45.007 1.00 18.25 O ATOM 0 H SER A 58 -32.165 10.781 -46.009 1.00 20.16 H new ATOM 0 HA SER A 58 -33.819 11.570 -44.016 1.00 17.60 H new ATOM 0 HB2 SER A 58 -32.033 12.721 -43.238 1.00 15.08 H new ATOM 0 HB3 SER A 58 -31.361 11.463 -43.869 1.00 15.08 H new ATOM 0 HG SER A 58 -31.369 13.887 -44.833 1.00 18.25 H new ATOM 446 N LYS A 59 -34.324 13.963 -44.616 1.00 28.29 N ATOM 447 CA LYS A 59 -34.932 15.208 -45.111 1.00 33.08 C ATOM 448 C LYS A 59 -33.836 16.237 -45.376 1.00 23.56 C ATOM 449 O LYS A 59 -32.853 16.278 -44.622 1.00 24.03 O ATOM 450 CB LYS A 59 -35.884 15.823 -44.108 1.00 30.36 C ATOM 451 CG LYS A 59 -36.973 14.963 -43.489 1.00 44.94 C ATOM 452 CD LYS A 59 -37.742 15.890 -42.528 1.00106.99 C ATOM 453 CE LYS A 59 -38.060 15.214 -41.213 1.00 99.13 C ATOM 454 NZ LYS A 59 -38.560 13.832 -41.451 1.00 93.07 N ATOM 0 H LYS A 59 -34.335 13.884 -43.760 1.00 28.29 H new ATOM 0 HA LYS A 59 -35.422 14.979 -45.916 1.00 33.08 H new ATOM 0 HB2 LYS A 59 -35.350 16.183 -43.383 1.00 30.36 H new ATOM 0 HB3 LYS A 59 -36.318 16.575 -44.541 1.00 30.36 H new ATOM 0 HG2 LYS A 59 -37.562 14.602 -44.171 1.00 44.94 H new ATOM 0 HG3 LYS A 59 -36.592 14.208 -43.014 1.00 44.94 H new ATOM 0 HD2 LYS A 59 -37.216 16.688 -42.361 1.00106.99 H new ATOM 0 HD3 LYS A 59 -38.567 16.178 -42.950 1.00106.99 H new ATOM 0 HE2 LYS A 59 -37.266 15.186 -40.656 1.00 99.13 H new ATOM 0 HE3 LYS A 59 -38.727 15.728 -40.731 1.00 99.13 H new ATOM 0 HZ1 LYS A 59 -39.080 13.583 -40.773 1.00 93.07 H new ATOM 0 HZ2 LYS A 59 -39.029 13.812 -42.207 1.00 93.07 H new ATOM 0 HZ3 LYS A 59 -37.870 13.274 -41.516 1.00 93.07 H new ATOM 455 N ILE A 60 -34.029 17.046 -46.402 1.00 21.07 N ATOM 456 CA ILE A 60 -33.095 18.113 -46.783 1.00 28.12 C ATOM 457 C ILE A 60 -32.882 19.039 -45.582 1.00 24.22 C ATOM 458 O ILE A 60 -33.873 19.460 -44.959 1.00 28.87 O ATOM 459 CB ILE A 60 -33.630 18.923 -48.026 1.00 20.94 C ATOM 460 CG1 ILE A 60 -33.779 18.049 -49.293 1.00 36.53 C ATOM 461 CG2 ILE A 60 -32.768 20.155 -48.398 1.00 20.57 C ATOM 462 CD1 ILE A 60 -32.456 17.912 -50.094 1.00 52.17 C ATOM 0 H ILE A 60 -34.719 16.996 -46.913 1.00 21.07 H new ATOM 0 HA ILE A 60 -32.248 17.717 -47.042 1.00 28.12 H new ATOM 0 HB ILE A 60 -34.501 19.232 -47.730 1.00 20.94 H new ATOM 0 HG12 ILE A 60 -34.089 17.166 -49.036 1.00 36.53 H new ATOM 0 HG13 ILE A 60 -34.460 18.433 -49.867 1.00 36.53 H new ATOM 0 HG21 ILE A 60 -33.156 20.601 -49.167 1.00 20.57 H new ATOM 0 HG22 ILE A 60 -32.741 20.769 -47.648 1.00 20.57 H new ATOM 0 HG23 ILE A 60 -31.867 19.867 -48.612 1.00 20.57 H new ATOM 0 HD11 ILE A 60 -32.606 17.356 -50.875 1.00 52.17 H new ATOM 0 HD12 ILE A 60 -32.156 18.790 -50.376 1.00 52.17 H new ATOM 0 HD13 ILE A 60 -31.778 17.504 -49.533 1.00 52.17 H new ATOM 463 N ASN A 61 -31.682 19.405 -45.231 1.00 22.85 N ATOM 464 CA ASN A 61 -31.238 20.299 -44.165 1.00 29.57 C ATOM 465 C ASN A 61 -31.364 19.750 -42.737 1.00 23.14 C ATOM 466 O ASN A 61 -31.071 20.534 -41.811 1.00 37.88 O ATOM 467 CB ASN A 61 -31.929 21.682 -44.227 1.00 26.45 C ATOM 468 CG ASN A 61 -31.599 22.355 -45.550 1.00 27.03 C ATOM 469 OD1 ASN A 61 -30.450 22.212 -45.985 1.00 30.39 O ATOM 470 ND2 ASN A 61 -32.604 23.010 -46.116 1.00 34.73 N ATOM 0 H ASN A 61 -31.004 19.100 -45.664 1.00 22.85 H new ATOM 0 HA ASN A 61 -30.289 20.386 -44.348 1.00 29.57 H new ATOM 0 HB2 ASN A 61 -32.889 21.579 -44.136 1.00 26.45 H new ATOM 0 HB3 ASN A 61 -31.632 22.236 -43.488 1.00 26.45 H new ATOM 0 HD21 ASN A 61 -32.491 23.397 -46.876 1.00 34.73 H new ATOM 0 HD22 ASN A 61 -33.368 23.047 -45.723 1.00 34.73 H new ATOM 471 N GLU A 62 -31.730 18.496 -42.622 1.00 26.65 N ATOM 472 CA GLU A 62 -31.902 17.788 -41.356 1.00 54.46 C ATOM 473 C GLU A 62 -30.647 17.031 -40.901 1.00 27.72 C ATOM 474 O GLU A 62 -29.923 16.468 -41.735 1.00 22.94 O ATOM 475 CB GLU A 62 -33.015 16.719 -41.363 1.00 56.71 C ATOM 476 CG GLU A 62 -32.908 15.296 -41.867 1.00100.62 C ATOM 477 CD GLU A 62 -33.803 14.177 -41.434 1.00 87.78 C ATOM 478 OE1 GLU A 62 -33.924 14.062 -40.185 1.00 48.77 O ATOM 479 OE2 GLU A 62 -34.394 13.355 -42.134 1.00 33.84 O ATOM 0 H GLU A 62 -31.895 18.002 -43.306 1.00 26.65 H new ATOM 0 HA GLU A 62 -32.125 18.518 -40.758 1.00 54.46 H new ATOM 0 HB2 GLU A 62 -33.306 16.644 -40.441 1.00 56.71 H new ATOM 0 HB3 GLU A 62 -33.748 17.114 -41.861 1.00 56.71 H new ATOM 0 HG2 GLU A 62 -32.987 15.346 -42.833 1.00100.62 H new ATOM 0 HG3 GLU A 62 -32.003 15.008 -41.671 1.00100.62 H new ATOM 480 N ASN A 63 -30.429 17.060 -39.589 1.00 21.78 N ATOM 481 CA ASN A 63 -29.316 16.297 -38.991 1.00 19.07 C ATOM 482 C ASN A 63 -29.898 14.872 -39.151 1.00 34.29 C ATOM 483 O ASN A 63 -31.127 14.808 -38.973 1.00 34.45 O ATOM 484 CB ASN A 63 -29.064 16.582 -37.538 1.00 22.81 C ATOM 485 CG ASN A 63 -27.994 17.561 -37.171 1.00 29.34 C ATOM 486 OD1 ASN A 63 -27.724 18.441 -37.993 1.00 37.00 O ATOM 487 ND2 ASN A 63 -27.411 17.404 -35.984 1.00 99.96 N ATOM 0 H ASN A 63 -30.903 17.507 -39.028 1.00 21.78 H new ATOM 0 HA ASN A 63 -28.458 16.488 -39.400 1.00 19.07 H new ATOM 0 HB2 ASN A 63 -29.896 16.898 -37.152 1.00 22.81 H new ATOM 0 HB3 ASN A 63 -28.852 15.740 -37.106 1.00 22.81 H new ATOM 0 HD21 ASN A 63 -26.789 17.944 -35.736 1.00 99.96 H new ATOM 0 HD22 ASN A 63 -27.656 16.763 -35.466 1.00 99.96 H new ATOM 488 N TYR A 64 -29.116 13.874 -39.433 1.00 21.70 N ATOM 489 CA TYR A 64 -29.642 12.522 -39.604 1.00 13.50 C ATOM 490 C TYR A 64 -28.677 11.521 -38.965 1.00 14.90 C ATOM 491 O TYR A 64 -27.479 11.581 -39.291 1.00 22.30 O ATOM 492 CB TYR A 64 -29.760 12.247 -41.111 1.00 14.77 C ATOM 493 CG TYR A 64 -30.376 10.895 -41.340 1.00 15.00 C ATOM 494 CD1 TYR A 64 -31.738 10.746 -41.055 1.00 29.65 C ATOM 495 CD2 TYR A 64 -29.698 9.786 -41.808 1.00 17.32 C ATOM 496 CE1 TYR A 64 -32.390 9.536 -41.248 1.00 29.82 C ATOM 497 CE2 TYR A 64 -30.332 8.570 -42.003 1.00 23.06 C ATOM 498 CZ TYR A 64 -31.685 8.436 -41.726 1.00 29.04 C ATOM 499 OH TYR A 64 -32.315 7.233 -41.927 1.00 32.20 O ATOM 0 H TYR A 64 -28.265 13.942 -39.534 1.00 21.70 H new ATOM 0 HA TYR A 64 -30.510 12.434 -39.180 1.00 13.50 H new ATOM 0 HB2 TYR A 64 -30.302 12.933 -41.531 1.00 14.77 H new ATOM 0 HB3 TYR A 64 -28.883 12.285 -41.524 1.00 14.77 H new ATOM 0 HD1 TYR A 64 -32.217 11.474 -40.729 1.00 29.65 H new ATOM 0 HD2 TYR A 64 -28.790 9.858 -41.997 1.00 17.32 H new ATOM 0 HE1 TYR A 64 -33.297 9.461 -41.058 1.00 29.82 H new ATOM 0 HE2 TYR A 64 -29.849 7.841 -42.321 1.00 23.06 H new ATOM 0 HH TYR A 64 -33.120 7.368 -42.124 1.00 32.20 H new ATOM 500 N VAL A 65 -29.210 10.666 -38.123 1.00 15.90 N ATOM 501 CA VAL A 65 -28.382 9.653 -37.471 1.00 16.94 C ATOM 502 C VAL A 65 -28.788 8.303 -38.081 1.00 18.68 C ATOM 503 O VAL A 65 -29.960 7.946 -37.996 1.00 20.00 O ATOM 504 CB VAL A 65 -28.462 9.642 -35.943 1.00 19.88 C ATOM 505 CG1 VAL A 65 -27.472 8.655 -35.319 1.00 17.78 C ATOM 506 CG2 VAL A 65 -28.296 11.018 -35.343 1.00 21.32 C ATOM 0 H VAL A 65 -30.043 10.646 -37.909 1.00 15.90 H new ATOM 0 HA VAL A 65 -27.448 9.857 -37.635 1.00 16.94 H new ATOM 0 HB VAL A 65 -29.358 9.339 -35.728 1.00 19.88 H new ATOM 0 HG11 VAL A 65 -27.556 8.680 -34.353 1.00 17.78 H new ATOM 0 HG12 VAL A 65 -27.664 7.759 -35.637 1.00 17.78 H new ATOM 0 HG13 VAL A 65 -26.568 8.900 -35.571 1.00 17.78 H new ATOM 0 HG21 VAL A 65 -28.354 10.959 -34.377 1.00 21.32 H new ATOM 0 HG22 VAL A 65 -27.431 11.378 -35.593 1.00 21.32 H new ATOM 0 HG23 VAL A 65 -28.996 11.602 -35.673 1.00 21.32 H new ATOM 507 N LEU A 66 -27.812 7.650 -38.659 1.00 15.83 N ATOM 508 CA LEU A 66 -27.964 6.335 -39.274 1.00 17.24 C ATOM 509 C LEU A 66 -27.328 5.275 -38.379 1.00 18.31 C ATOM 510 O LEU A 66 -26.142 5.435 -38.007 1.00 16.66 O ATOM 511 CB LEU A 66 -27.275 6.370 -40.659 1.00 14.55 C ATOM 512 CG LEU A 66 -27.149 5.066 -41.440 1.00 18.68 C ATOM 513 CD1 LEU A 66 -28.538 4.615 -41.867 1.00 19.37 C ATOM 514 CD2 LEU A 66 -26.242 5.275 -42.649 1.00 21.98 C ATOM 0 H LEU A 66 -27.012 7.960 -38.712 1.00 15.83 H new ATOM 0 HA LEU A 66 -28.902 6.113 -39.383 1.00 17.24 H new ATOM 0 HB2 LEU A 66 -27.759 7.001 -41.214 1.00 14.55 H new ATOM 0 HB3 LEU A 66 -26.382 6.728 -40.536 1.00 14.55 H new ATOM 0 HG LEU A 66 -26.752 4.377 -40.884 1.00 18.68 H new ATOM 0 HD11 LEU A 66 -28.470 3.785 -42.365 1.00 19.37 H new ATOM 0 HD12 LEU A 66 -29.089 4.476 -41.081 1.00 19.37 H new ATOM 0 HD13 LEU A 66 -28.942 5.296 -42.427 1.00 19.37 H new ATOM 0 HD21 LEU A 66 -26.164 4.444 -43.143 1.00 21.98 H new ATOM 0 HD22 LEU A 66 -26.621 5.958 -43.224 1.00 21.98 H new ATOM 0 HD23 LEU A 66 -25.363 5.556 -42.350 1.00 21.98 H new ATOM 515 N THR A 67 -28.068 4.224 -38.073 1.00 15.33 N ATOM 516 CA THR A 67 -27.461 3.134 -37.276 1.00 15.75 C ATOM 517 C THR A 67 -27.037 2.079 -38.295 1.00 19.64 C ATOM 518 O THR A 67 -27.940 1.733 -39.098 1.00 20.58 O ATOM 519 CB THR A 67 -28.419 2.565 -36.168 1.00 24.36 C ATOM 520 OG1 THR A 67 -28.777 3.742 -35.382 1.00 29.09 O ATOM 521 CG2 THR A 67 -27.801 1.443 -35.337 1.00 22.24 C ATOM 0 H THR A 67 -28.890 4.110 -38.299 1.00 15.33 H new ATOM 0 HA THR A 67 -26.703 3.458 -36.765 1.00 15.75 H new ATOM 0 HB THR A 67 -29.196 2.127 -36.549 1.00 24.36 H new ATOM 0 HG1 THR A 67 -29.296 3.517 -34.761 1.00 29.09 H new ATOM 0 HG21 THR A 67 -28.442 1.139 -34.675 1.00 22.24 H new ATOM 0 HG22 THR A 67 -27.562 0.704 -35.918 1.00 22.24 H new ATOM 0 HG23 THR A 67 -27.006 1.772 -34.889 1.00 22.24 H new ATOM 522 N VAL A 68 -25.809 1.609 -38.328 1.00 13.04 N ATOM 523 CA VAL A 68 -25.377 0.591 -39.285 1.00 16.39 C ATOM 524 C VAL A 68 -25.280 -0.775 -38.582 1.00 17.20 C ATOM 525 O VAL A 68 -24.578 -0.961 -37.595 1.00 24.82 O ATOM 526 CB VAL A 68 -24.053 0.937 -39.988 1.00 18.62 C ATOM 527 CG1 VAL A 68 -24.237 2.141 -40.886 1.00 26.46 C ATOM 528 CG2 VAL A 68 -22.921 1.117 -39.014 1.00 25.04 C ATOM 0 H VAL A 68 -25.188 1.869 -37.793 1.00 13.04 H new ATOM 0 HA VAL A 68 -26.048 0.555 -39.984 1.00 16.39 H new ATOM 0 HB VAL A 68 -23.803 0.184 -40.546 1.00 18.62 H new ATOM 0 HG11 VAL A 68 -23.397 2.350 -41.324 1.00 26.46 H new ATOM 0 HG12 VAL A 68 -24.910 1.945 -41.556 1.00 26.46 H new ATOM 0 HG13 VAL A 68 -24.522 2.901 -40.355 1.00 26.46 H new ATOM 0 HG21 VAL A 68 -22.109 1.333 -39.498 1.00 25.04 H new ATOM 0 HG22 VAL A 68 -23.133 1.838 -38.401 1.00 25.04 H new ATOM 0 HG23 VAL A 68 -22.790 0.296 -38.514 1.00 25.04 H new ATOM 529 N THR A 69 -25.995 -1.706 -39.172 1.00 14.65 N ATOM 530 CA THR A 69 -26.073 -3.082 -38.668 1.00 20.08 C ATOM 531 C THR A 69 -25.338 -4.085 -39.546 1.00 16.63 C ATOM 532 O THR A 69 -24.369 -4.707 -39.104 1.00 24.23 O ATOM 533 CB THR A 69 -27.569 -3.579 -38.447 1.00 21.20 C ATOM 534 OG1 THR A 69 -28.230 -2.517 -37.691 1.00 31.76 O ATOM 535 CG2 THR A 69 -27.670 -4.919 -37.719 1.00 26.81 C ATOM 0 H THR A 69 -26.458 -1.568 -39.884 1.00 14.65 H new ATOM 0 HA THR A 69 -25.628 -3.045 -37.807 1.00 20.08 H new ATOM 0 HB THR A 69 -27.992 -3.742 -39.305 1.00 21.20 H new ATOM 0 HG1 THR A 69 -29.030 -2.731 -37.548 1.00 31.76 H new ATOM 0 HG21 THR A 69 -28.603 -5.163 -37.617 1.00 26.81 H new ATOM 0 HG22 THR A 69 -27.212 -5.602 -38.233 1.00 26.81 H new ATOM 0 HG23 THR A 69 -27.259 -4.844 -36.844 1.00 26.81 H new ATOM 536 N GLN A 70 -25.836 -4.189 -40.772 1.00 20.37 N ATOM 537 CA GLN A 70 -25.273 -5.124 -41.760 1.00 20.92 C ATOM 538 C GLN A 70 -23.881 -4.734 -42.255 1.00 23.97 C ATOM 539 O GLN A 70 -23.593 -3.602 -42.664 1.00 20.19 O ATOM 540 CB GLN A 70 -26.253 -5.305 -42.934 1.00 15.23 C ATOM 541 CG GLN A 70 -27.681 -5.588 -42.489 1.00 19.71 C ATOM 542 CD GLN A 70 -27.768 -6.999 -41.921 1.00 38.68 C ATOM 543 OE1 GLN A 70 -27.002 -7.884 -42.312 1.00 36.23 O ATOM 544 NE2 GLN A 70 -28.694 -7.152 -40.984 1.00 37.00 N ATOM 0 H GLN A 70 -26.503 -3.728 -41.060 1.00 20.37 H new ATOM 0 HA GLN A 70 -25.155 -5.972 -41.304 1.00 20.92 H new ATOM 0 HB2 GLN A 70 -26.244 -4.504 -43.481 1.00 15.23 H new ATOM 0 HB3 GLN A 70 -25.945 -6.034 -43.494 1.00 15.23 H new ATOM 0 HG2 GLN A 70 -27.955 -4.942 -41.819 1.00 19.71 H new ATOM 0 HG3 GLN A 70 -28.288 -5.493 -43.239 1.00 19.71 H new ATOM 0 HE21 GLN A 70 -29.194 -6.489 -40.761 1.00 37.00 H new ATOM 0 HE22 GLN A 70 -28.794 -7.914 -40.599 1.00 37.00 H new ATOM 545 N PRO A 71 -22.994 -5.714 -42.206 1.00 16.82 N ATOM 546 CA PRO A 71 -21.623 -5.618 -42.679 1.00 15.60 C ATOM 547 C PRO A 71 -21.718 -5.462 -44.207 1.00 22.66 C ATOM 548 O PRO A 71 -22.734 -5.919 -44.770 1.00 18.19 O ATOM 549 CB PRO A 71 -20.927 -6.917 -42.284 1.00 22.10 C ATOM 550 CG PRO A 71 -21.843 -7.458 -41.216 1.00 22.95 C ATOM 551 CD PRO A 71 -23.245 -7.106 -41.737 1.00 21.74 C ATOM 0 HA PRO A 71 -21.123 -4.875 -42.307 1.00 15.60 H new ATOM 0 HB2 PRO A 71 -20.845 -7.527 -43.034 1.00 22.10 H new ATOM 0 HB3 PRO A 71 -20.031 -6.760 -41.947 1.00 22.10 H new ATOM 0 HG2 PRO A 71 -21.734 -8.415 -41.102 1.00 22.95 H new ATOM 0 HG3 PRO A 71 -21.669 -7.048 -40.354 1.00 22.95 H new ATOM 0 HD2 PRO A 71 -23.535 -7.693 -42.452 1.00 21.74 H new ATOM 0 HD3 PRO A 71 -23.922 -7.149 -41.043 1.00 21.74 H new ATOM 552 N GLY A 72 -20.710 -4.865 -44.801 1.00 14.43 N ATOM 553 CA GLY A 72 -20.694 -4.661 -46.258 1.00 14.04 C ATOM 554 C GLY A 72 -20.517 -3.152 -46.486 1.00 18.96 C ATOM 555 O GLY A 72 -20.365 -2.325 -45.570 1.00 15.93 O ATOM 0 H GLY A 72 -20.017 -4.565 -44.390 1.00 14.43 H new ATOM 0 HA2 GLY A 72 -19.970 -5.159 -46.668 1.00 14.04 H new ATOM 0 HA3 GLY A 72 -21.519 -4.976 -46.660 1.00 14.04 H new ATOM 556 N ALA A 73 -20.540 -2.838 -47.773 1.00 13.87 N ATOM 557 CA ALA A 73 -20.383 -1.459 -48.266 1.00 13.19 C ATOM 558 C ALA A 73 -21.749 -0.871 -48.625 1.00 10.39 C ATOM 559 O ALA A 73 -22.716 -1.516 -49.069 1.00 13.31 O ATOM 560 CB ALA A 73 -19.396 -1.419 -49.436 1.00 13.16 C ATOM 0 H ALA A 73 -20.648 -3.419 -48.398 1.00 13.87 H new ATOM 0 HA ALA A 73 -20.008 -0.904 -47.565 1.00 13.19 H new ATOM 0 HB1 ALA A 73 -19.303 -0.506 -49.750 1.00 13.16 H new ATOM 0 HB2 ALA A 73 -18.532 -1.749 -49.143 1.00 13.16 H new ATOM 0 HB3 ALA A 73 -19.727 -1.976 -50.158 1.00 13.16 H new ATOM 561 N TYR A 74 -21.787 0.434 -48.406 1.00 11.19 N ATOM 562 CA TYR A 74 -22.949 1.264 -48.661 1.00 10.78 C ATOM 563 C TYR A 74 -22.539 2.524 -49.438 1.00 11.60 C ATOM 564 O TYR A 74 -21.672 3.210 -48.900 1.00 14.21 O ATOM 565 CB TYR A 74 -23.604 1.777 -47.369 1.00 12.79 C ATOM 566 CG TYR A 74 -24.073 0.778 -46.348 1.00 15.36 C ATOM 567 CD1 TYR A 74 -23.180 -0.120 -45.752 1.00 10.11 C ATOM 568 CD2 TYR A 74 -25.412 0.765 -45.959 1.00 13.78 C ATOM 569 CE1 TYR A 74 -23.636 -1.035 -44.798 1.00 15.05 C ATOM 570 CE2 TYR A 74 -25.892 -0.141 -45.017 1.00 15.19 C ATOM 571 CZ TYR A 74 -24.981 -1.024 -44.450 1.00 21.79 C ATOM 572 OH TYR A 74 -25.467 -1.903 -43.520 1.00 26.27 O ATOM 0 H TYR A 74 -21.116 0.874 -48.095 1.00 11.19 H new ATOM 0 HA TYR A 74 -23.568 0.703 -49.154 1.00 10.78 H new ATOM 0 HB2 TYR A 74 -22.970 2.367 -46.933 1.00 12.79 H new ATOM 0 HB3 TYR A 74 -24.368 2.319 -47.622 1.00 12.79 H new ATOM 0 HD1 TYR A 74 -22.281 -0.108 -45.991 1.00 10.11 H new ATOM 0 HD2 TYR A 74 -26.000 1.378 -46.339 1.00 13.78 H new ATOM 0 HE1 TYR A 74 -23.050 -1.640 -44.404 1.00 15.05 H new ATOM 0 HE2 TYR A 74 -26.790 -0.155 -44.776 1.00 15.19 H new ATOM 0 HH TYR A 74 -24.829 -2.325 -43.173 1.00 26.27 H new ATOM 573 N LEU A 75 -23.165 2.765 -50.566 1.00 14.69 N ATOM 574 CA LEU A 75 -22.870 4.018 -51.313 1.00 11.44 C ATOM 575 C LEU A 75 -24.130 4.846 -51.054 1.00 11.96 C ATOM 576 O LEU A 75 -25.228 4.366 -51.374 1.00 14.08 O ATOM 577 CB LEU A 75 -22.623 3.730 -52.786 1.00 15.15 C ATOM 578 CG LEU A 75 -21.910 4.895 -53.496 1.00 17.03 C ATOM 579 CD1 LEU A 75 -20.517 5.082 -52.917 1.00 21.04 C ATOM 580 CD2 LEU A 75 -21.827 4.560 -54.977 1.00 16.22 C ATOM 0 H LEU A 75 -23.750 2.248 -50.927 1.00 14.69 H new ATOM 0 HA LEU A 75 -22.063 4.478 -51.034 1.00 11.44 H new ATOM 0 HB2 LEU A 75 -22.088 2.926 -52.871 1.00 15.15 H new ATOM 0 HB3 LEU A 75 -23.470 3.555 -53.226 1.00 15.15 H new ATOM 0 HG LEU A 75 -22.401 5.722 -53.368 1.00 17.03 H new ATOM 0 HD11 LEU A 75 -20.074 5.817 -53.369 1.00 21.04 H new ATOM 0 HD12 LEU A 75 -20.584 5.279 -51.970 1.00 21.04 H new ATOM 0 HD13 LEU A 75 -20.002 4.269 -53.042 1.00 21.04 H new ATOM 0 HD21 LEU A 75 -21.380 5.281 -55.448 1.00 16.22 H new ATOM 0 HD22 LEU A 75 -21.326 3.738 -55.095 1.00 16.22 H new ATOM 0 HD23 LEU A 75 -22.722 4.447 -55.334 1.00 16.22 H new ATOM 581 N VAL A 76 -23.945 5.995 -50.451 1.00 10.77 N ATOM 582 CA VAL A 76 -25.018 6.936 -50.137 1.00 12.67 C ATOM 583 C VAL A 76 -24.817 8.169 -51.032 1.00 11.46 C ATOM 584 O VAL A 76 -23.675 8.527 -51.421 1.00 11.98 O ATOM 585 CB VAL A 76 -25.101 7.310 -48.623 1.00 15.34 C ATOM 586 CG1 VAL A 76 -25.261 6.090 -47.725 1.00 12.65 C ATOM 587 CG2 VAL A 76 -23.948 8.106 -48.069 1.00 16.29 C ATOM 0 H VAL A 76 -23.169 6.268 -50.200 1.00 10.77 H new ATOM 0 HA VAL A 76 -25.874 6.517 -50.318 1.00 12.67 H new ATOM 0 HB VAL A 76 -25.889 7.876 -48.609 1.00 15.34 H new ATOM 0 HG11 VAL A 76 -25.308 6.374 -46.799 1.00 12.65 H new ATOM 0 HG12 VAL A 76 -26.076 5.620 -47.960 1.00 12.65 H new ATOM 0 HG13 VAL A 76 -24.501 5.499 -47.844 1.00 12.65 H new ATOM 0 HG21 VAL A 76 -24.100 8.283 -47.127 1.00 16.29 H new ATOM 0 HG22 VAL A 76 -23.126 7.602 -48.175 1.00 16.29 H new ATOM 0 HG23 VAL A 76 -23.875 8.946 -48.548 1.00 16.29 H new ATOM 588 N LYS A 77 -25.898 8.850 -51.334 1.00 12.63 N ATOM 589 CA LYS A 77 -25.746 10.092 -52.128 1.00 12.82 C ATOM 590 C LYS A 77 -26.541 11.208 -51.455 1.00 16.07 C ATOM 591 O LYS A 77 -27.316 10.962 -50.518 1.00 15.18 O ATOM 592 CB LYS A 77 -26.333 9.847 -53.516 1.00 10.57 C ATOM 593 CG LYS A 77 -27.843 9.662 -53.401 1.00 13.78 C ATOM 594 CD LYS A 77 -28.477 9.568 -54.794 1.00 20.17 C ATOM 595 CE LYS A 77 -29.813 8.856 -54.689 1.00 24.52 C ATOM 596 NZ LYS A 77 -30.501 8.976 -56.011 1.00 29.19 N ATOM 0 H LYS A 77 -26.702 8.641 -51.111 1.00 12.63 H new ATOM 0 HA LYS A 77 -24.810 10.340 -52.191 1.00 12.82 H new ATOM 0 HB2 LYS A 77 -26.132 10.595 -54.100 1.00 10.57 H new ATOM 0 HB3 LYS A 77 -25.930 9.060 -53.914 1.00 10.57 H new ATOM 0 HG2 LYS A 77 -28.039 8.858 -52.895 1.00 13.78 H new ATOM 0 HG3 LYS A 77 -28.230 10.406 -52.913 1.00 13.78 H new ATOM 0 HD2 LYS A 77 -28.600 10.456 -55.166 1.00 20.17 H new ATOM 0 HD3 LYS A 77 -27.889 9.087 -55.397 1.00 20.17 H new ATOM 0 HE2 LYS A 77 -29.684 7.923 -54.457 1.00 24.52 H new ATOM 0 HE3 LYS A 77 -30.354 9.251 -53.987 1.00 24.52 H new ATOM 0 HZ1 LYS A 77 -31.377 8.864 -55.901 1.00 29.19 H new ATOM 0 HZ2 LYS A 77 -30.346 9.782 -56.354 1.00 29.19 H new ATOM 0 HZ3 LYS A 77 -30.190 8.353 -56.565 1.00 29.19 H new ATOM 597 N CYS A 78 -26.295 12.382 -51.973 1.00 16.34 N ATOM 598 CA CYS A 78 -27.078 13.564 -51.588 1.00 13.02 C ATOM 599 C CYS A 78 -28.125 13.530 -52.737 1.00 21.42 C ATOM 600 O CYS A 78 -27.725 13.452 -53.927 1.00 14.95 O ATOM 601 CB CYS A 78 -26.235 14.804 -51.618 1.00 9.56 C ATOM 602 SG CYS A 78 -27.310 16.275 -51.480 1.00 17.91 S ATOM 0 H CYS A 78 -25.679 12.534 -52.554 1.00 16.34 H new ATOM 0 HA CYS A 78 -27.448 13.564 -50.691 1.00 13.02 H new ATOM 0 HB2 CYS A 78 -25.595 14.789 -50.889 1.00 9.56 H new ATOM 0 HB3 CYS A 78 -25.725 14.840 -52.442 1.00 9.56 H new ATOM 603 N THR A 79 -29.406 13.563 -52.438 1.00 18.75 N ATOM 604 CA THR A 79 -30.422 13.523 -53.519 1.00 25.66 C ATOM 605 C THR A 79 -30.276 14.658 -54.538 1.00 19.13 C ATOM 606 O THR A 79 -30.094 14.356 -55.741 1.00 21.56 O ATOM 607 CB THR A 79 -31.889 13.319 -52.982 1.00 25.60 C ATOM 608 OG1 THR A 79 -31.874 12.220 -52.012 1.00 23.96 O ATOM 609 CG2 THR A 79 -32.882 13.050 -54.129 1.00 21.57 C ATOM 0 H THR A 79 -29.723 13.608 -51.640 1.00 18.75 H new ATOM 0 HA THR A 79 -30.232 12.720 -54.028 1.00 25.66 H new ATOM 0 HB THR A 79 -32.193 14.132 -52.549 1.00 25.60 H new ATOM 0 HG1 THR A 79 -32.123 11.511 -52.388 1.00 23.96 H new ATOM 0 HG21 THR A 79 -33.773 12.929 -53.764 1.00 21.57 H new ATOM 0 HG22 THR A 79 -32.882 13.803 -54.740 1.00 21.57 H new ATOM 0 HG23 THR A 79 -32.617 12.248 -54.605 1.00 21.57 H new ATOM 610 N PRO A 80 -30.325 15.913 -54.118 1.00 23.13 N ATOM 611 CA PRO A 80 -30.195 17.049 -55.023 1.00 15.88 C ATOM 612 C PRO A 80 -28.889 17.067 -55.785 1.00 23.83 C ATOM 613 O PRO A 80 -28.899 17.415 -56.971 1.00 24.08 O ATOM 614 CB PRO A 80 -30.290 18.324 -54.165 1.00 18.89 C ATOM 615 CG PRO A 80 -30.392 17.862 -52.736 1.00 19.32 C ATOM 616 CD PRO A 80 -30.554 16.341 -52.729 1.00 23.29 C ATOM 0 HA PRO A 80 -30.898 16.989 -55.688 1.00 15.88 H new ATOM 0 HB2 PRO A 80 -29.510 18.886 -54.292 1.00 18.89 H new ATOM 0 HB3 PRO A 80 -31.064 18.852 -54.414 1.00 18.89 H new ATOM 0 HG2 PRO A 80 -29.598 18.119 -52.241 1.00 19.32 H new ATOM 0 HG3 PRO A 80 -31.148 18.284 -52.298 1.00 19.32 H new ATOM 0 HD2 PRO A 80 -29.918 15.925 -52.126 1.00 23.29 H new ATOM 0 HD3 PRO A 80 -31.440 16.086 -52.427 1.00 23.29 H new ATOM 617 N HIS A 81 -27.775 16.760 -55.118 1.00 17.76 N ATOM 618 CA HIS A 81 -26.475 16.831 -55.772 1.00 13.67 C ATOM 619 C HIS A 81 -25.704 15.583 -56.159 1.00 17.95 C ATOM 620 O HIS A 81 -24.485 15.743 -56.389 1.00 15.94 O ATOM 621 CB HIS A 81 -25.504 17.664 -54.881 1.00 12.79 C ATOM 622 CG HIS A 81 -26.179 18.969 -54.585 1.00 22.56 C ATOM 623 ND1 HIS A 81 -26.211 20.103 -55.332 1.00 32.19 N flip ATOM 624 CD2 HIS A 81 -26.891 19.215 -53.434 1.00 14.91 C flip ATOM 625 CE1 HIS A 81 -26.947 21.002 -54.618 1.00 27.20 C flip ATOM 626 NE2 HIS A 81 -27.343 20.455 -53.484 1.00 21.33 N flip ATOM 0 H HIS A 81 -27.753 16.511 -54.295 1.00 17.76 H new ATOM 0 HA HIS A 81 -26.741 17.207 -56.626 1.00 13.67 H new ATOM 0 HB2 HIS A 81 -25.302 17.190 -54.059 1.00 12.79 H new ATOM 0 HB3 HIS A 81 -24.661 17.811 -55.338 1.00 12.79 H new ATOM 0 HD1 HIS A 81 -25.842 20.228 -56.099 1.00 32.19 H new ATOM 0 HD2 HIS A 81 -27.030 18.612 -52.740 1.00 14.91 H new ATOM 0 HE1 HIS A 81 -27.141 21.870 -54.889 1.00 27.20 H new ATOM 627 N TYR A 82 -26.363 14.456 -56.299 1.00 16.22 N ATOM 628 CA TYR A 82 -25.722 13.204 -56.701 1.00 14.20 C ATOM 629 C TYR A 82 -24.934 13.313 -57.999 1.00 21.47 C ATOM 630 O TYR A 82 -23.763 12.930 -58.155 1.00 22.88 O ATOM 631 CB TYR A 82 -26.860 12.197 -56.897 1.00 21.84 C ATOM 632 CG TYR A 82 -26.385 10.833 -57.332 1.00 22.01 C ATOM 633 CD1 TYR A 82 -25.325 10.203 -56.678 1.00 18.58 C ATOM 634 CD2 TYR A 82 -27.024 10.160 -58.367 1.00 22.68 C ATOM 635 CE1 TYR A 82 -24.925 8.916 -57.061 1.00 22.94 C ATOM 636 CE2 TYR A 82 -26.628 8.877 -58.754 1.00 21.95 C ATOM 637 CZ TYR A 82 -25.580 8.256 -58.103 1.00 21.27 C ATOM 638 OH TYR A 82 -25.196 7.007 -58.477 1.00 24.86 O ATOM 0 H TYR A 82 -27.209 14.384 -56.164 1.00 16.22 H new ATOM 0 HA TYR A 82 -25.082 12.943 -56.020 1.00 14.20 H new ATOM 0 HB2 TYR A 82 -27.353 12.111 -56.066 1.00 21.84 H new ATOM 0 HB3 TYR A 82 -27.479 12.543 -57.559 1.00 21.84 H new ATOM 0 HD1 TYR A 82 -24.883 10.639 -55.986 1.00 18.58 H new ATOM 0 HD2 TYR A 82 -27.730 10.572 -58.811 1.00 22.68 H new ATOM 0 HE1 TYR A 82 -24.220 8.499 -56.619 1.00 22.94 H new ATOM 0 HE2 TYR A 82 -27.069 8.442 -59.448 1.00 21.95 H new ATOM 0 HH TYR A 82 -25.680 6.743 -59.111 1.00 24.86 H new ATOM 639 N ALA A 83 -25.634 13.909 -58.960 1.00 36.57 N ATOM 640 CA ALA A 83 -25.101 14.156 -60.324 1.00 39.50 C ATOM 641 C ALA A 83 -23.866 15.042 -60.321 1.00 26.60 C ATOM 642 O ALA A 83 -23.073 14.928 -61.278 1.00 45.14 O ATOM 643 CB ALA A 83 -26.252 14.620 -61.212 1.00 59.79 C ATOM 0 H ALA A 83 -26.440 14.188 -58.849 1.00 36.57 H new ATOM 0 HA ALA A 83 -24.758 13.335 -60.710 1.00 39.50 H new ATOM 0 HB1 ALA A 83 -25.922 14.787 -62.109 1.00 59.79 H new ATOM 0 HB2 ALA A 83 -26.935 13.932 -61.242 1.00 59.79 H new ATOM 0 HB3 ALA A 83 -26.631 15.436 -60.851 1.00 59.79 H new ATOM 644 N MET A 84 -23.640 15.863 -59.300 1.00 21.18 N ATOM 645 CA MET A 84 -22.457 16.718 -59.150 1.00 16.48 C ATOM 646 C MET A 84 -21.378 15.956 -58.374 1.00 17.10 C ATOM 647 O MET A 84 -20.291 16.500 -58.122 1.00 22.76 O ATOM 648 CB MET A 84 -22.767 18.093 -58.531 1.00 22.62 C ATOM 649 CG MET A 84 -23.999 18.626 -59.229 1.00 32.24 C ATOM 650 SD MET A 84 -24.650 20.071 -58.339 1.00 53.66 S ATOM 651 CE MET A 84 -23.210 21.171 -58.471 1.00 63.41 C ATOM 0 H MET A 84 -24.193 15.943 -58.646 1.00 21.18 H new ATOM 0 HA MET A 84 -22.123 16.924 -60.037 1.00 16.48 H new ATOM 0 HB2 MET A 84 -22.921 18.013 -57.577 1.00 22.62 H new ATOM 0 HB3 MET A 84 -22.018 18.698 -58.647 1.00 22.62 H new ATOM 0 HG2 MET A 84 -23.781 18.871 -60.142 1.00 32.24 H new ATOM 0 HG3 MET A 84 -24.677 17.934 -59.276 1.00 32.24 H new ATOM 0 HE1 MET A 84 -23.477 22.080 -58.264 1.00 63.41 H new ATOM 0 HE2 MET A 84 -22.526 20.885 -57.846 1.00 63.41 H new ATOM 0 HE3 MET A 84 -22.857 21.136 -59.374 1.00 63.41 H new ATOM 652 N GLY A 85 -21.686 14.705 -58.024 1.00 19.02 N ATOM 653 CA GLY A 85 -20.776 13.806 -57.343 1.00 18.95 C ATOM 654 C GLY A 85 -20.819 13.741 -55.825 1.00 21.32 C ATOM 655 O GLY A 85 -19.829 13.275 -55.235 1.00 18.77 O ATOM 0 H GLY A 85 -22.454 14.353 -58.184 1.00 19.02 H new ATOM 0 HA2 GLY A 85 -20.938 12.911 -57.681 1.00 18.95 H new ATOM 0 HA3 GLY A 85 -19.873 14.048 -57.602 1.00 18.95 H new ATOM 656 N MET A 86 -21.884 14.196 -55.215 1.00 13.53 N ATOM 657 CA MET A 86 -21.974 14.204 -53.745 1.00 9.97 C ATOM 658 C MET A 86 -22.331 12.793 -53.274 1.00 10.27 C ATOM 659 O MET A 86 -23.518 12.424 -53.249 1.00 16.19 O ATOM 660 CB MET A 86 -22.998 15.234 -53.240 1.00 10.65 C ATOM 661 CG MET A 86 -22.756 15.421 -51.758 1.00 12.23 C ATOM 662 SD MET A 86 -23.376 17.043 -51.216 1.00 18.74 S ATOM 663 CE MET A 86 -23.140 16.906 -49.427 1.00 20.71 C ATOM 0 H MET A 86 -22.576 14.509 -55.619 1.00 13.53 H new ATOM 0 HA MET A 86 -21.117 14.468 -53.375 1.00 9.97 H new ATOM 0 HB2 MET A 86 -22.897 16.076 -53.712 1.00 10.65 H new ATOM 0 HB3 MET A 86 -23.903 14.924 -53.402 1.00 10.65 H new ATOM 0 HG2 MET A 86 -23.199 14.716 -51.260 1.00 12.23 H new ATOM 0 HG3 MET A 86 -21.808 15.350 -51.567 1.00 12.23 H new ATOM 0 HE1 MET A 86 -22.971 17.786 -49.054 1.00 20.71 H new ATOM 0 HE2 MET A 86 -23.938 16.532 -49.023 1.00 20.71 H new ATOM 0 HE3 MET A 86 -22.384 16.327 -49.244 1.00 20.71 H new ATOM 664 N ILE A 87 -21.310 12.048 -52.907 1.00 12.36 N ATOM 665 CA ILE A 87 -21.484 10.660 -52.420 1.00 14.12 C ATOM 666 C ILE A 87 -20.514 10.385 -51.262 1.00 12.60 C ATOM 667 O ILE A 87 -19.556 11.133 -51.066 1.00 12.60 O ATOM 668 CB ILE A 87 -21.311 9.611 -53.587 1.00 14.30 C ATOM 669 CG1 ILE A 87 -19.916 9.792 -54.243 1.00 15.34 C ATOM 670 CG2 ILE A 87 -22.417 9.685 -54.666 1.00 17.08 C ATOM 671 CD1 ILE A 87 -18.867 8.707 -53.987 1.00 29.20 C ATOM 0 H ILE A 87 -20.493 12.315 -52.926 1.00 12.36 H new ATOM 0 HA ILE A 87 -22.390 10.561 -52.089 1.00 14.12 H new ATOM 0 HB ILE A 87 -21.390 8.733 -53.183 1.00 14.30 H new ATOM 0 HG12 ILE A 87 -20.044 9.864 -55.202 1.00 15.34 H new ATOM 0 HG13 ILE A 87 -19.551 10.638 -53.941 1.00 15.34 H new ATOM 0 HG21 ILE A 87 -22.249 9.016 -55.348 1.00 17.08 H new ATOM 0 HG22 ILE A 87 -23.280 9.519 -54.257 1.00 17.08 H new ATOM 0 HG23 ILE A 87 -22.416 10.567 -55.071 1.00 17.08 H new ATOM 0 HD11 ILE A 87 -18.045 8.936 -54.449 1.00 29.20 H new ATOM 0 HD12 ILE A 87 -18.695 8.641 -53.035 1.00 29.20 H new ATOM 0 HD13 ILE A 87 -19.195 7.855 -54.315 1.00 29.20 H new ATOM 672 N ALA A 88 -20.772 9.295 -50.529 1.00 15.67 N ATOM 673 CA ALA A 88 -19.932 8.820 -49.433 1.00 16.08 C ATOM 674 C ALA A 88 -20.053 7.278 -49.482 1.00 12.54 C ATOM 675 O ALA A 88 -21.102 6.725 -49.863 1.00 12.37 O ATOM 676 CB ALA A 88 -20.246 9.341 -48.039 1.00 10.42 C ATOM 0 H ALA A 88 -21.462 8.800 -50.664 1.00 15.67 H new ATOM 0 HA ALA A 88 -19.035 9.163 -49.573 1.00 16.08 H new ATOM 0 HB1 ALA A 88 -19.624 8.956 -47.402 1.00 10.42 H new ATOM 0 HB2 ALA A 88 -20.163 10.307 -48.028 1.00 10.42 H new ATOM 0 HB3 ALA A 88 -21.152 9.092 -47.797 1.00 10.42 H new ATOM 677 N LEU A 89 -18.961 6.661 -49.094 1.00 14.87 N ATOM 678 CA LEU A 89 -18.880 5.185 -49.024 1.00 9.96 C ATOM 679 C LEU A 89 -18.737 4.822 -47.539 1.00 13.91 C ATOM 680 O LEU A 89 -17.819 5.324 -46.888 1.00 12.81 O ATOM 681 CB LEU A 89 -17.670 4.665 -49.808 1.00 12.51 C ATOM 682 CG LEU A 89 -17.516 3.137 -49.741 1.00 15.37 C ATOM 683 CD1 LEU A 89 -18.601 2.464 -50.568 1.00 15.73 C ATOM 684 CD2 LEU A 89 -16.136 2.767 -50.256 1.00 22.24 C ATOM 0 H LEU A 89 -18.239 7.066 -48.861 1.00 14.87 H new ATOM 0 HA LEU A 89 -19.671 4.782 -49.414 1.00 9.96 H new ATOM 0 HB2 LEU A 89 -17.753 4.935 -50.736 1.00 12.51 H new ATOM 0 HB3 LEU A 89 -16.865 5.081 -49.462 1.00 12.51 H new ATOM 0 HG LEU A 89 -17.610 2.832 -48.825 1.00 15.37 H new ATOM 0 HD11 LEU A 89 -18.495 1.501 -50.519 1.00 15.73 H new ATOM 0 HD12 LEU A 89 -19.473 2.711 -50.221 1.00 15.73 H new ATOM 0 HD13 LEU A 89 -18.528 2.750 -51.492 1.00 15.73 H new ATOM 0 HD21 LEU A 89 -16.024 1.804 -50.220 1.00 22.24 H new ATOM 0 HD22 LEU A 89 -16.041 3.069 -51.173 1.00 22.24 H new ATOM 0 HD23 LEU A 89 -15.460 3.192 -49.705 1.00 22.24 H new ATOM 685 N ILE A 90 -19.606 3.990 -47.035 1.00 11.74 N ATOM 686 CA ILE A 90 -19.579 3.502 -45.652 1.00 12.97 C ATOM 687 C ILE A 90 -19.106 2.036 -45.740 1.00 12.83 C ATOM 688 O ILE A 90 -19.761 1.288 -46.496 1.00 12.77 O ATOM 689 CB ILE A 90 -20.942 3.632 -44.895 1.00 15.25 C ATOM 690 CG1 ILE A 90 -21.520 5.073 -44.922 1.00 16.18 C ATOM 691 CG2 ILE A 90 -20.807 3.110 -43.428 1.00 15.94 C ATOM 692 CD1 ILE A 90 -23.016 5.125 -44.484 1.00 23.44 C ATOM 0 H ILE A 90 -20.260 3.671 -47.493 1.00 11.74 H new ATOM 0 HA ILE A 90 -18.980 4.051 -45.122 1.00 12.97 H new ATOM 0 HB ILE A 90 -21.579 3.076 -45.371 1.00 15.25 H new ATOM 0 HG12 ILE A 90 -20.995 5.640 -44.336 1.00 16.18 H new ATOM 0 HG13 ILE A 90 -21.436 5.435 -45.818 1.00 16.18 H new ATOM 0 HG21 ILE A 90 -21.659 3.198 -42.973 1.00 15.94 H new ATOM 0 HG22 ILE A 90 -20.541 2.177 -43.439 1.00 15.94 H new ATOM 0 HG23 ILE A 90 -20.136 3.631 -42.959 1.00 15.94 H new ATOM 0 HD11 ILE A 90 -23.331 6.042 -44.517 1.00 23.44 H new ATOM 0 HD12 ILE A 90 -23.548 4.579 -45.084 1.00 23.44 H new ATOM 0 HD13 ILE A 90 -23.100 4.787 -43.579 1.00 23.44 H new ATOM 693 N ALA A 91 -18.030 1.685 -45.070 1.00 10.29 N ATOM 694 CA ALA A 91 -17.547 0.282 -45.126 1.00 12.28 C ATOM 695 C ALA A 91 -17.829 -0.267 -43.725 1.00 13.52 C ATOM 696 O ALA A 91 -17.221 0.300 -42.800 1.00 16.34 O ATOM 697 CB ALA A 91 -16.089 0.142 -45.503 1.00 11.04 C ATOM 0 H ALA A 91 -17.561 2.215 -44.582 1.00 10.29 H new ATOM 0 HA ALA A 91 -18.000 -0.211 -45.828 1.00 12.28 H new ATOM 0 HB1 ALA A 91 -15.847 -0.797 -45.519 1.00 11.04 H new ATOM 0 HB2 ALA A 91 -15.943 0.528 -46.381 1.00 11.04 H new ATOM 0 HB3 ALA A 91 -15.540 0.606 -44.851 1.00 11.04 H new ATOM 698 N VAL A 92 -18.696 -1.249 -43.627 1.00 14.53 N ATOM 699 CA VAL A 92 -19.029 -1.819 -42.292 1.00 11.95 C ATOM 700 C VAL A 92 -18.374 -3.187 -42.201 1.00 20.25 C ATOM 701 O VAL A 92 -18.711 -4.074 -42.985 1.00 17.75 O ATOM 702 CB VAL A 92 -20.538 -1.776 -42.052 1.00 16.96 C ATOM 703 CG1 VAL A 92 -20.977 -2.418 -40.732 1.00 22.62 C ATOM 704 CG2 VAL A 92 -21.152 -0.388 -42.124 1.00 11.88 C ATOM 0 H VAL A 92 -19.107 -1.609 -44.291 1.00 14.53 H new ATOM 0 HA VAL A 92 -18.671 -1.292 -41.560 1.00 11.95 H new ATOM 0 HB VAL A 92 -20.873 -2.303 -42.794 1.00 16.96 H new ATOM 0 HG11 VAL A 92 -21.941 -2.355 -40.646 1.00 22.62 H new ATOM 0 HG12 VAL A 92 -20.712 -3.351 -40.722 1.00 22.62 H new ATOM 0 HG13 VAL A 92 -20.556 -1.955 -39.991 1.00 22.62 H new ATOM 0 HG21 VAL A 92 -22.106 -0.447 -41.962 1.00 11.88 H new ATOM 0 HG22 VAL A 92 -20.745 0.181 -41.452 1.00 11.88 H new ATOM 0 HG23 VAL A 92 -20.997 -0.011 -43.004 1.00 11.88 H new ATOM 705 N GLY A 93 -17.453 -3.339 -41.267 1.00 19.97 N ATOM 706 CA GLY A 93 -16.755 -4.625 -41.051 1.00 23.52 C ATOM 707 C GLY A 93 -15.601 -4.697 -42.042 1.00 24.47 C ATOM 708 O GLY A 93 -15.428 -3.730 -42.804 1.00 29.37 O ATOM 0 H GLY A 93 -17.205 -2.710 -40.735 1.00 19.97 H new ATOM 0 HA2 GLY A 93 -16.426 -4.685 -40.140 1.00 23.52 H new ATOM 0 HA3 GLY A 93 -17.363 -5.369 -41.182 1.00 23.52 H new ATOM 709 N ASP A 94 -14.857 -5.787 -42.019 1.00 27.57 N ATOM 710 CA ASP A 94 -13.712 -5.978 -42.920 1.00 29.02 C ATOM 711 C ASP A 94 -14.116 -6.598 -44.275 1.00 21.56 C ATOM 712 O ASP A 94 -15.093 -7.363 -44.405 1.00 31.50 O ATOM 713 CB ASP A 94 -12.627 -6.847 -42.281 1.00 69.02 C ATOM 714 CG ASP A 94 -12.033 -6.456 -40.955 1.00106.99 C ATOM 715 OD1 ASP A 94 -12.158 -5.280 -40.547 1.00 89.86 O ATOM 716 OD2 ASP A 94 -11.413 -7.307 -40.282 1.00100.70 O ATOM 0 H ASP A 94 -14.994 -6.445 -41.482 1.00 27.57 H new ATOM 0 HA ASP A 94 -13.361 -5.089 -43.082 1.00 29.02 H new ATOM 0 HB2 ASP A 94 -12.994 -7.739 -42.181 1.00 69.02 H new ATOM 0 HB3 ASP A 94 -11.897 -6.910 -42.917 1.00 69.02 H new ATOM 717 N SER A 95 -13.285 -6.269 -45.259 1.00 33.65 N ATOM 718 CA SER A 95 -13.456 -6.777 -46.638 1.00 42.12 C ATOM 719 C SER A 95 -14.923 -6.984 -47.024 1.00 21.43 C ATOM 720 O SER A 95 -15.470 -8.108 -47.135 1.00 23.76 O ATOM 721 CB SER A 95 -12.583 -8.009 -46.864 1.00 36.38 C ATOM 722 OG SER A 95 -12.348 -8.783 -45.709 1.00 77.53 O ATOM 0 H SER A 95 -12.608 -5.749 -45.157 1.00 33.65 H new ATOM 0 HA SER A 95 -13.145 -6.090 -47.248 1.00 42.12 H new ATOM 0 HB2 SER A 95 -13.003 -8.570 -47.535 1.00 36.38 H new ATOM 0 HB3 SER A 95 -11.730 -7.724 -47.227 1.00 36.38 H new ATOM 0 HG SER A 95 -11.865 -9.441 -45.906 1.00 77.53 H new ATOM 723 N PRO A 96 -15.558 -5.820 -47.248 1.00 22.47 N ATOM 724 CA PRO A 96 -16.981 -5.777 -47.625 1.00 17.95 C ATOM 725 C PRO A 96 -17.186 -6.629 -48.869 1.00 9.03 C ATOM 726 O PRO A 96 -16.532 -6.330 -49.876 1.00 19.81 O ATOM 727 CB PRO A 96 -17.331 -4.319 -47.794 1.00 16.45 C ATOM 728 CG PRO A 96 -16.069 -3.523 -47.603 1.00 26.17 C ATOM 729 CD PRO A 96 -14.995 -4.470 -47.123 1.00 20.02 C ATOM 0 HA PRO A 96 -17.576 -6.151 -46.957 1.00 17.95 H new ATOM 0 HB2 PRO A 96 -17.705 -4.158 -48.674 1.00 16.45 H new ATOM 0 HB3 PRO A 96 -18.003 -4.053 -47.147 1.00 16.45 H new ATOM 0 HG2 PRO A 96 -15.804 -3.102 -48.435 1.00 26.17 H new ATOM 0 HG3 PRO A 96 -16.209 -2.813 -46.958 1.00 26.17 H new ATOM 0 HD2 PRO A 96 -14.189 -4.379 -47.656 1.00 20.02 H new ATOM 0 HD3 PRO A 96 -14.750 -4.280 -46.204 1.00 20.02 H new ATOM 730 N ALA A 97 -18.061 -7.590 -48.778 1.00 15.30 N ATOM 731 CA ALA A 97 -18.308 -8.492 -49.907 1.00 19.79 C ATOM 732 C ALA A 97 -18.851 -7.814 -51.166 1.00 26.86 C ATOM 733 O ALA A 97 -18.578 -8.350 -52.259 1.00 19.95 O ATOM 734 CB ALA A 97 -19.297 -9.547 -49.428 1.00 13.43 C ATOM 0 H ALA A 97 -18.533 -7.752 -48.077 1.00 15.30 H new ATOM 0 HA ALA A 97 -17.454 -8.866 -50.174 1.00 19.79 H new ATOM 0 HB1 ALA A 97 -19.486 -10.165 -50.151 1.00 13.43 H new ATOM 0 HB2 ALA A 97 -18.916 -10.032 -48.680 1.00 13.43 H new ATOM 0 HB3 ALA A 97 -20.120 -9.116 -49.148 1.00 13.43 H new ATOM 735 N ASN A 98 -19.557 -6.703 -51.014 1.00 12.24 N ATOM 736 CA ASN A 98 -20.166 -6.047 -52.175 1.00 9.31 C ATOM 737 C ASN A 98 -19.391 -4.851 -52.653 1.00 10.27 C ATOM 738 O ASN A 98 -19.976 -4.157 -53.500 1.00 13.00 O ATOM 739 CB ASN A 98 -21.640 -5.759 -51.815 1.00 11.84 C ATOM 740 CG ASN A 98 -21.706 -4.728 -50.684 1.00 14.24 C ATOM 741 OD1 ASN A 98 -20.810 -4.750 -49.846 1.00 15.55 O ATOM 742 ND2 ASN A 98 -22.702 -3.857 -50.654 1.00 13.15 N ATOM 0 H ASN A 98 -19.697 -6.313 -50.261 1.00 12.24 H new ATOM 0 HA ASN A 98 -20.140 -6.632 -52.948 1.00 9.31 H new ATOM 0 HB2 ASN A 98 -22.113 -5.427 -52.594 1.00 11.84 H new ATOM 0 HB3 ASN A 98 -22.081 -6.579 -51.543 1.00 11.84 H new ATOM 0 HD21 ASN A 98 -22.742 -3.271 -50.026 1.00 13.15 H new ATOM 0 HD22 ASN A 98 -23.310 -3.877 -51.262 1.00 13.15 H new ATOM 743 N LEU A 99 -18.184 -4.624 -52.196 1.00 10.58 N ATOM 744 CA LEU A 99 -17.425 -3.448 -52.629 1.00 12.01 C ATOM 745 C LEU A 99 -17.130 -3.432 -54.136 1.00 15.62 C ATOM 746 O LEU A 99 -17.318 -2.394 -54.780 1.00 14.14 O ATOM 747 CB LEU A 99 -16.156 -3.215 -51.772 1.00 15.15 C ATOM 748 CG LEU A 99 -15.282 -2.007 -52.155 1.00 20.51 C ATOM 749 CD1 LEU A 99 -15.915 -0.633 -51.994 1.00 18.77 C ATOM 750 CD2 LEU A 99 -14.011 -2.025 -51.311 1.00 23.91 C ATOM 0 H LEU A 99 -17.775 -5.130 -51.634 1.00 10.58 H new ATOM 0 HA LEU A 99 -18.008 -2.689 -52.472 1.00 12.01 H new ATOM 0 HB2 LEU A 99 -16.429 -3.111 -50.847 1.00 15.15 H new ATOM 0 HB3 LEU A 99 -15.607 -4.014 -51.818 1.00 15.15 H new ATOM 0 HG LEU A 99 -15.124 -2.119 -53.106 1.00 20.51 H new ATOM 0 HD11 LEU A 99 -15.280 0.049 -52.262 1.00 18.77 H new ATOM 0 HD12 LEU A 99 -16.707 -0.574 -52.551 1.00 18.77 H new ATOM 0 HD13 LEU A 99 -16.162 -0.497 -51.066 1.00 18.77 H new ATOM 0 HD21 LEU A 99 -13.455 -1.266 -51.547 1.00 23.91 H new ATOM 0 HD22 LEU A 99 -14.246 -1.974 -50.371 1.00 23.91 H new ATOM 0 HD23 LEU A 99 -13.523 -2.847 -51.478 1.00 23.91 H new ATOM 751 N ASP A 100 -16.666 -4.527 -54.686 1.00 13.99 N ATOM 752 CA ASP A 100 -16.327 -4.663 -56.102 1.00 17.23 C ATOM 753 C ASP A 100 -17.594 -4.470 -56.940 1.00 14.21 C ATOM 754 O ASP A 100 -17.491 -3.788 -57.992 1.00 14.42 O ATOM 755 CB ASP A 100 -15.590 -5.983 -56.373 1.00 18.01 C ATOM 756 CG ASP A 100 -14.140 -5.893 -55.878 1.00 26.47 C ATOM 757 OD1 ASP A 100 -13.528 -4.821 -55.910 1.00 39.49 O ATOM 758 OD2 ASP A 100 -13.728 -7.001 -55.466 1.00 34.03 O ATOM 0 H ASP A 100 -16.530 -5.248 -54.237 1.00 13.99 H new ATOM 0 HA ASP A 100 -15.701 -3.971 -56.366 1.00 17.23 H new ATOM 0 HB2 ASP A 100 -16.046 -6.713 -55.926 1.00 18.01 H new ATOM 0 HB3 ASP A 100 -15.603 -6.179 -57.323 1.00 18.01 H new ATOM 759 N GLN A 101 -18.699 -5.016 -56.479 1.00 10.74 N ATOM 760 CA GLN A 101 -19.978 -4.840 -57.197 1.00 13.04 C ATOM 761 C GLN A 101 -20.341 -3.348 -57.280 1.00 21.04 C ATOM 762 O GLN A 101 -20.797 -2.848 -58.330 1.00 17.69 O ATOM 763 CB GLN A 101 -21.063 -5.705 -56.559 1.00 14.24 C ATOM 764 CG GLN A 101 -22.463 -5.460 -57.053 1.00 12.24 C ATOM 765 CD GLN A 101 -23.267 -4.405 -56.335 1.00 22.56 C ATOM 766 OE1 GLN A 101 -23.875 -3.480 -56.863 1.00 22.51 O ATOM 767 NE2 GLN A 101 -23.297 -4.599 -55.033 1.00 15.25 N ATOM 0 H GLN A 101 -18.747 -5.489 -55.763 1.00 10.74 H new ATOM 0 HA GLN A 101 -19.891 -5.147 -58.113 1.00 13.04 H new ATOM 0 HB2 GLN A 101 -20.842 -6.637 -56.711 1.00 14.24 H new ATOM 0 HB3 GLN A 101 -21.046 -5.562 -55.600 1.00 14.24 H new ATOM 0 HG2 GLN A 101 -22.414 -5.216 -57.990 1.00 12.24 H new ATOM 0 HG3 GLN A 101 -22.951 -6.297 -57.003 1.00 12.24 H new ATOM 0 HE21 GLN A 101 -22.862 -5.255 -54.686 1.00 15.25 H new ATOM 0 HE22 GLN A 101 -23.751 -4.070 -54.530 1.00 15.25 H new ATOM 768 N ILE A 102 -20.194 -2.561 -56.228 1.00 16.36 N ATOM 769 CA ILE A 102 -20.523 -1.126 -56.183 1.00 15.16 C ATOM 770 C ILE A 102 -19.627 -0.319 -57.118 1.00 12.52 C ATOM 771 O ILE A 102 -20.080 0.575 -57.851 1.00 18.00 O ATOM 772 CB ILE A 102 -20.479 -0.544 -54.717 1.00 18.55 C ATOM 773 CG1 ILE A 102 -21.653 -1.097 -53.879 1.00 18.23 C ATOM 774 CG2 ILE A 102 -20.439 1.010 -54.684 1.00 20.64 C ATOM 775 CD1 ILE A 102 -21.465 -0.730 -52.376 1.00 16.51 C ATOM 0 H ILE A 102 -19.886 -2.853 -55.480 1.00 16.36 H new ATOM 0 HA ILE A 102 -21.438 -1.042 -56.495 1.00 15.16 H new ATOM 0 HB ILE A 102 -19.647 -0.842 -54.318 1.00 18.55 H new ATOM 0 HG12 ILE A 102 -22.491 -0.733 -54.205 1.00 18.23 H new ATOM 0 HG13 ILE A 102 -21.704 -2.060 -53.979 1.00 18.23 H new ATOM 0 HG21 ILE A 102 -20.413 1.314 -53.763 1.00 20.64 H new ATOM 0 HG22 ILE A 102 -19.648 1.324 -55.150 1.00 20.64 H new ATOM 0 HG23 ILE A 102 -21.231 1.364 -55.118 1.00 20.64 H new ATOM 0 HD11 ILE A 102 -22.208 -1.082 -51.861 1.00 16.51 H new ATOM 0 HD12 ILE A 102 -20.636 -1.113 -52.050 1.00 16.51 H new ATOM 0 HD13 ILE A 102 -21.434 0.235 -52.280 1.00 16.51 H new ATOM 776 N VAL A 103 -18.355 -0.690 -57.063 1.00 14.96 N ATOM 777 CA VAL A 103 -17.353 0.004 -57.930 1.00 17.23 C ATOM 778 C VAL A 103 -17.776 -0.185 -59.390 1.00 21.18 C ATOM 779 O VAL A 103 -17.736 0.777 -60.163 1.00 18.24 O ATOM 780 CB VAL A 103 -15.900 -0.354 -57.575 1.00 21.38 C ATOM 781 CG1 VAL A 103 -14.893 0.183 -58.612 1.00 20.66 C ATOM 782 CG2 VAL A 103 -15.451 0.126 -56.193 1.00 17.34 C ATOM 0 H VAL A 103 -18.042 -1.313 -56.559 1.00 14.96 H new ATOM 0 HA VAL A 103 -17.351 0.960 -57.764 1.00 17.23 H new ATOM 0 HB VAL A 103 -15.902 -1.324 -57.575 1.00 21.38 H new ATOM 0 HG11 VAL A 103 -13.993 -0.065 -58.348 1.00 20.66 H new ATOM 0 HG12 VAL A 103 -15.091 -0.197 -59.482 1.00 20.66 H new ATOM 0 HG13 VAL A 103 -14.961 1.150 -58.659 1.00 20.66 H new ATOM 0 HG21 VAL A 103 -14.529 -0.136 -56.043 1.00 17.34 H new ATOM 0 HG22 VAL A 103 -15.524 1.092 -56.146 1.00 17.34 H new ATOM 0 HG23 VAL A 103 -16.015 -0.273 -55.512 1.00 17.34 H new ATOM 783 N SER A 104 -18.180 -1.373 -59.773 1.00 16.22 N ATOM 784 CA SER A 104 -18.621 -1.775 -61.097 1.00 20.84 C ATOM 785 C SER A 104 -19.991 -1.237 -61.521 1.00 31.44 C ATOM 786 O SER A 104 -20.233 -1.174 -62.733 1.00 23.87 O ATOM 787 CB SER A 104 -18.791 -3.329 -61.210 1.00 15.17 C ATOM 788 OG SER A 104 -17.592 -3.989 -61.516 1.00 61.43 O ATOM 0 H SER A 104 -18.208 -2.029 -59.218 1.00 16.22 H new ATOM 0 HA SER A 104 -17.921 -1.411 -61.661 1.00 20.84 H new ATOM 0 HB2 SER A 104 -19.140 -3.673 -60.373 1.00 15.17 H new ATOM 0 HB3 SER A 104 -19.449 -3.529 -61.895 1.00 15.17 H new ATOM 0 HG SER A 104 -17.035 -3.858 -60.901 1.00 61.43 H new ATOM 789 N ALA A 105 -20.857 -0.935 -60.574 1.00 16.46 N ATOM 790 CA ALA A 105 -22.224 -0.488 -60.858 1.00 19.20 C ATOM 791 C ALA A 105 -22.243 0.814 -61.685 1.00 24.27 C ATOM 792 O ALA A 105 -21.326 1.644 -61.696 1.00 20.19 O ATOM 793 CB ALA A 105 -23.030 -0.438 -59.566 1.00 15.46 C ATOM 0 H ALA A 105 -20.674 -0.981 -59.735 1.00 16.46 H new ATOM 0 HA ALA A 105 -22.666 -1.135 -61.430 1.00 19.20 H new ATOM 0 HB1 ALA A 105 -23.933 -0.142 -59.759 1.00 15.46 H new ATOM 0 HB2 ALA A 105 -23.058 -1.322 -59.168 1.00 15.46 H new ATOM 0 HB3 ALA A 105 -22.612 0.182 -58.948 1.00 15.46 H new ATOM 794 N LYS A 106 -23.345 0.895 -62.429 1.00 22.40 N ATOM 795 CA LYS A 106 -23.621 2.036 -63.308 1.00 28.93 C ATOM 796 C LYS A 106 -23.915 3.278 -62.462 1.00 20.67 C ATOM 797 O LYS A 106 -24.804 3.177 -61.586 1.00 24.86 O ATOM 798 CB LYS A 106 -24.852 1.778 -64.171 1.00 26.63 C ATOM 799 CG LYS A 106 -25.112 2.884 -65.236 1.00 31.08 C ATOM 800 CD LYS A 106 -26.463 2.560 -65.891 1.00 58.73 C ATOM 801 CE LYS A 106 -26.890 3.614 -66.888 1.00 88.13 C ATOM 802 NZ LYS A 106 -25.746 3.974 -67.771 1.00 94.61 N ATOM 0 H LYS A 106 -23.956 0.290 -62.440 1.00 22.40 H new ATOM 0 HA LYS A 106 -22.842 2.167 -63.871 1.00 28.93 H new ATOM 0 HB2 LYS A 106 -24.749 0.925 -64.621 1.00 26.63 H new ATOM 0 HB3 LYS A 106 -25.630 1.704 -63.597 1.00 26.63 H new ATOM 0 HG2 LYS A 106 -25.131 3.761 -64.823 1.00 31.08 H new ATOM 0 HG3 LYS A 106 -24.403 2.898 -65.898 1.00 31.08 H new ATOM 0 HD2 LYS A 106 -26.405 1.701 -66.338 1.00 58.73 H new ATOM 0 HD3 LYS A 106 -27.141 2.476 -65.203 1.00 58.73 H new ATOM 0 HE2 LYS A 106 -27.629 3.284 -67.422 1.00 88.13 H new ATOM 0 HE3 LYS A 106 -27.208 4.402 -66.420 1.00 88.13 H new ATOM 0 HZ1 LYS A 106 -26.053 4.355 -68.514 1.00 94.61 H new ATOM 0 HZ2 LYS A 106 -25.210 4.543 -67.346 1.00 94.61 H new ATOM 0 HZ3 LYS A 106 -25.290 3.239 -67.982 1.00 94.61 H new ATOM 803 N LYS A 107 -23.204 4.340 -62.759 1.00 19.70 N ATOM 804 CA LYS A 107 -23.392 5.611 -62.036 1.00 29.45 C ATOM 805 C LYS A 107 -22.766 6.714 -62.904 1.00 36.63 C ATOM 806 O LYS A 107 -21.935 6.408 -63.777 1.00 23.68 O ATOM 807 CB LYS A 107 -22.815 5.605 -60.617 1.00 22.56 C ATOM 808 CG LYS A 107 -21.379 5.169 -60.451 1.00 18.95 C ATOM 809 CD LYS A 107 -20.928 4.831 -59.036 1.00 20.16 C ATOM 810 CE LYS A 107 -21.000 3.351 -58.705 1.00 16.04 C ATOM 811 NZ LYS A 107 -19.984 2.595 -59.490 1.00 15.90 N ATOM 0 H LYS A 107 -22.603 4.363 -63.374 1.00 19.70 H new ATOM 0 HA LYS A 107 -24.340 5.765 -61.902 1.00 29.45 H new ATOM 0 HB2 LYS A 107 -22.900 6.501 -60.256 1.00 22.56 H new ATOM 0 HB3 LYS A 107 -23.369 5.025 -60.071 1.00 22.56 H new ATOM 0 HG2 LYS A 107 -21.232 4.390 -61.010 1.00 18.95 H new ATOM 0 HG3 LYS A 107 -20.807 5.874 -60.791 1.00 18.95 H new ATOM 0 HD2 LYS A 107 -20.015 5.136 -58.915 1.00 20.16 H new ATOM 0 HD3 LYS A 107 -21.477 5.322 -58.405 1.00 20.16 H new ATOM 0 HE2 LYS A 107 -20.849 3.218 -57.756 1.00 16.04 H new ATOM 0 HE3 LYS A 107 -21.887 3.012 -58.902 1.00 16.04 H new ATOM 0 HZ1 LYS A 107 -19.722 1.881 -59.028 1.00 15.90 H new ATOM 0 HZ2 LYS A 107 -20.340 2.334 -60.263 1.00 15.90 H new ATOM 0 HZ3 LYS A 107 -19.282 3.118 -59.649 1.00 15.90 H new ATOM 812 N PRO A 108 -23.183 7.952 -62.661 1.00 29.89 N ATOM 813 CA PRO A 108 -22.669 9.115 -63.391 1.00 27.96 C ATOM 814 C PRO A 108 -21.154 9.101 -63.355 1.00 33.31 C ATOM 815 O PRO A 108 -20.552 8.702 -62.331 1.00 23.12 O ATOM 816 CB PRO A 108 -23.286 10.309 -62.656 1.00 26.47 C ATOM 817 CG PRO A 108 -24.537 9.763 -62.006 1.00 31.74 C ATOM 818 CD PRO A 108 -24.172 8.332 -61.629 1.00 26.88 C ATOM 0 HA PRO A 108 -22.901 9.137 -64.333 1.00 27.96 H new ATOM 0 HB2 PRO A 108 -22.675 10.669 -61.994 1.00 26.47 H new ATOM 0 HB3 PRO A 108 -23.495 11.030 -63.270 1.00 26.47 H new ATOM 0 HG2 PRO A 108 -24.786 10.282 -61.225 1.00 31.74 H new ATOM 0 HG3 PRO A 108 -25.292 9.787 -62.615 1.00 31.74 H new ATOM 0 HD2 PRO A 108 -23.796 8.282 -60.736 1.00 26.88 H new ATOM 0 HD3 PRO A 108 -24.947 7.749 -61.644 1.00 26.88 H new ATOM 819 N LYS A 109 -20.518 9.559 -64.416 1.00 28.28 N ATOM 820 CA LYS A 109 -19.047 9.605 -64.523 1.00 30.52 C ATOM 821 C LYS A 109 -18.408 10.368 -63.366 1.00 21.32 C ATOM 822 O LYS A 109 -17.356 9.953 -62.817 1.00 22.66 O ATOM 823 CB LYS A 109 -18.535 10.215 -65.837 1.00 46.05 C ATOM 824 CG LYS A 109 -17.019 10.278 -66.081 1.00 35.00 C ATOM 825 CD LYS A 109 -16.641 10.979 -67.378 1.00100.94 C ATOM 826 CE LYS A 109 -15.217 11.459 -67.516 1.00102.28 C ATOM 827 NZ LYS A 109 -14.982 12.289 -68.730 1.00 97.75 N ATOM 0 H LYS A 109 -20.923 9.860 -65.112 1.00 28.28 H new ATOM 0 HA LYS A 109 -18.783 8.672 -64.497 1.00 30.52 H new ATOM 0 HB2 LYS A 109 -18.930 9.713 -66.567 1.00 46.05 H new ATOM 0 HB3 LYS A 109 -18.880 11.120 -65.895 1.00 46.05 H new ATOM 0 HG2 LYS A 109 -16.598 10.739 -65.338 1.00 35.00 H new ATOM 0 HG3 LYS A 109 -16.663 9.376 -66.094 1.00 35.00 H new ATOM 0 HD2 LYS A 109 -16.826 10.372 -68.112 1.00100.94 H new ATOM 0 HD3 LYS A 109 -17.227 11.744 -67.488 1.00100.94 H new ATOM 0 HE2 LYS A 109 -14.980 11.975 -66.730 1.00102.28 H new ATOM 0 HE3 LYS A 109 -14.626 10.691 -67.539 1.00102.28 H new ATOM 0 HZ1 LYS A 109 -14.129 12.541 -68.757 1.00 97.75 H new ATOM 0 HZ2 LYS A 109 -15.173 11.813 -69.457 1.00 97.75 H new ATOM 0 HZ3 LYS A 109 -15.503 13.010 -68.703 1.00 97.75 H new ATOM 828 N ILE A 110 -19.047 11.496 -63.047 1.00 26.54 N ATOM 829 CA ILE A 110 -18.522 12.358 -61.958 1.00 30.09 C ATOM 830 C ILE A 110 -18.477 11.607 -60.628 1.00 20.23 C ATOM 831 O ILE A 110 -17.503 11.649 -59.848 1.00 25.93 O ATOM 832 CB ILE A 110 -19.318 13.704 -61.953 1.00 36.17 C ATOM 833 CG1 ILE A 110 -18.814 14.553 -60.776 1.00 23.93 C ATOM 834 CG2 ILE A 110 -20.847 13.473 -61.909 1.00 34.67 C ATOM 835 CD1 ILE A 110 -17.289 14.459 -60.468 1.00 39.35 C ATOM 0 H ILE A 110 -19.763 11.781 -63.429 1.00 26.54 H new ATOM 0 HA ILE A 110 -17.594 12.593 -62.114 1.00 30.09 H new ATOM 0 HB ILE A 110 -19.160 14.183 -62.782 1.00 36.17 H new ATOM 0 HG12 ILE A 110 -19.033 15.481 -60.953 1.00 23.93 H new ATOM 0 HG13 ILE A 110 -19.303 14.293 -59.980 1.00 23.93 H new ATOM 0 HG21 ILE A 110 -21.304 14.329 -61.907 1.00 34.67 H new ATOM 0 HG22 ILE A 110 -21.120 12.963 -62.688 1.00 34.67 H new ATOM 0 HG23 ILE A 110 -21.077 12.982 -61.105 1.00 34.67 H new ATOM 0 HD11 ILE A 110 -17.076 15.029 -59.713 1.00 39.35 H new ATOM 0 HD12 ILE A 110 -17.058 13.541 -60.256 1.00 39.35 H new ATOM 0 HD13 ILE A 110 -16.784 14.748 -61.244 1.00 39.35 H new ATOM 836 N VAL A 111 -19.566 10.886 -60.403 1.00 20.48 N ATOM 837 CA VAL A 111 -19.722 10.053 -59.194 1.00 16.40 C ATOM 838 C VAL A 111 -18.607 9.012 -59.186 1.00 20.17 C ATOM 839 O VAL A 111 -17.822 8.864 -58.229 1.00 22.37 O ATOM 840 CB VAL A 111 -21.153 9.467 -59.121 1.00 17.97 C ATOM 841 CG1 VAL A 111 -21.259 8.377 -58.057 1.00 15.01 C ATOM 842 CG2 VAL A 111 -22.188 10.570 -58.911 1.00 19.05 C ATOM 0 H VAL A 111 -20.239 10.859 -60.938 1.00 20.48 H new ATOM 0 HA VAL A 111 -19.629 10.578 -58.384 1.00 16.40 H new ATOM 0 HB VAL A 111 -21.345 9.048 -59.974 1.00 17.97 H new ATOM 0 HG11 VAL A 111 -22.165 8.031 -58.037 1.00 15.01 H new ATOM 0 HG12 VAL A 111 -20.644 7.657 -58.268 1.00 15.01 H new ATOM 0 HG13 VAL A 111 -21.036 8.749 -57.189 1.00 15.01 H new ATOM 0 HG21 VAL A 111 -23.074 10.178 -58.869 1.00 19.05 H new ATOM 0 HG22 VAL A 111 -22.001 11.036 -58.081 1.00 19.05 H new ATOM 0 HG23 VAL A 111 -22.147 11.197 -59.650 1.00 19.05 H new ATOM 843 N GLN A 112 -18.566 8.254 -60.281 1.00 22.25 N ATOM 844 CA GLN A 112 -17.571 7.176 -60.439 1.00 14.84 C ATOM 845 C GLN A 112 -16.185 7.717 -60.155 1.00 17.14 C ATOM 846 O GLN A 112 -15.361 7.145 -59.422 1.00 21.91 O ATOM 847 CB GLN A 112 -17.705 6.476 -61.801 1.00 16.58 C ATOM 848 CG GLN A 112 -16.636 5.373 -61.891 1.00 18.08 C ATOM 849 CD GLN A 112 -17.082 4.205 -61.018 1.00 21.98 C ATOM 850 OE1 GLN A 112 -18.228 4.134 -60.595 1.00 24.15 O ATOM 851 NE2 GLN A 112 -16.145 3.307 -60.769 1.00 23.30 N ATOM 0 H GLN A 112 -19.103 8.343 -60.947 1.00 22.25 H new ATOM 0 HA GLN A 112 -17.740 6.478 -59.787 1.00 14.84 H new ATOM 0 HB2 GLN A 112 -18.592 6.095 -61.898 1.00 16.58 H new ATOM 0 HB3 GLN A 112 -17.591 7.116 -62.521 1.00 16.58 H new ATOM 0 HG2 GLN A 112 -16.524 5.085 -62.810 1.00 18.08 H new ATOM 0 HG3 GLN A 112 -15.777 5.710 -61.593 1.00 18.08 H new ATOM 0 HE21 GLN A 112 -15.355 3.409 -61.093 1.00 23.30 H new ATOM 0 HE22 GLN A 112 -16.325 2.621 -60.283 1.00 23.30 H new ATOM 852 N GLU A 113 -15.871 8.895 -60.683 1.00 22.88 N ATOM 853 CA GLU A 113 -14.549 9.491 -60.461 1.00 23.05 C ATOM 854 C GLU A 113 -14.257 9.726 -58.987 1.00 24.22 C ATOM 855 O GLU A 113 -13.160 9.332 -58.537 1.00 23.72 O ATOM 856 CB GLU A 113 -14.388 10.819 -61.186 1.00 32.24 C ATOM 857 CG GLU A 113 -14.246 10.760 -62.707 1.00 51.55 C ATOM 858 CD GLU A 113 -13.822 12.070 -63.320 1.00106.99 C ATOM 859 OE1 GLU A 113 -13.586 12.949 -62.458 1.00 89.86 O ATOM 860 OE2 GLU A 113 -13.714 12.272 -64.517 1.00 92.71 O ATOM 0 H GLU A 113 -16.401 9.366 -61.170 1.00 22.88 H new ATOM 0 HA GLU A 113 -13.920 8.844 -60.817 1.00 23.05 H new ATOM 0 HB2 GLU A 113 -15.155 11.374 -60.975 1.00 32.24 H new ATOM 0 HB3 GLU A 113 -13.607 11.267 -60.826 1.00 32.24 H new ATOM 0 HG2 GLU A 113 -13.597 10.077 -62.938 1.00 51.55 H new ATOM 0 HG3 GLU A 113 -15.093 10.489 -63.094 1.00 51.55 H new ATOM 861 N ARG A 114 -15.215 10.338 -58.293 1.00 21.00 N ATOM 862 CA ARG A 114 -14.990 10.598 -56.854 1.00 19.69 C ATOM 863 C ARG A 114 -14.883 9.284 -56.064 1.00 18.03 C ATOM 864 O ARG A 114 -14.044 9.218 -55.145 1.00 26.62 O ATOM 865 CB ARG A 114 -16.083 11.428 -56.228 1.00 23.48 C ATOM 866 CG ARG A 114 -16.245 12.823 -56.747 1.00 35.48 C ATOM 867 CD ARG A 114 -16.621 13.668 -55.565 1.00 27.73 C ATOM 868 NE ARG A 114 -16.387 15.057 -55.958 1.00 31.09 N ATOM 869 CZ ARG A 114 -17.266 16.007 -55.622 1.00 28.73 C ATOM 870 NH1 ARG A 114 -18.337 15.625 -54.925 1.00 28.76 N ATOM 871 NH2 ARG A 114 -17.044 17.266 -56.001 1.00 29.67 N ATOM 0 H ARG A 114 -15.970 10.603 -58.609 1.00 21.00 H new ATOM 0 HA ARG A 114 -14.157 11.094 -56.809 1.00 19.69 H new ATOM 0 HB2 ARG A 114 -16.925 10.961 -56.347 1.00 23.48 H new ATOM 0 HB3 ARG A 114 -15.918 11.477 -55.273 1.00 23.48 H new ATOM 0 HG2 ARG A 114 -15.422 13.140 -57.152 1.00 35.48 H new ATOM 0 HG3 ARG A 114 -16.931 12.860 -57.432 1.00 35.48 H new ATOM 0 HD2 ARG A 114 -17.550 13.529 -55.323 1.00 27.73 H new ATOM 0 HD3 ARG A 114 -16.088 13.434 -54.789 1.00 27.73 H new ATOM 0 HE ARG A 114 -15.683 15.263 -56.406 1.00 31.09 H new ATOM 0 HH11 ARG A 114 -18.438 14.798 -54.711 1.00 28.76 H new ATOM 0 HH12 ARG A 114 -18.926 16.206 -54.689 1.00 28.76 H new ATOM 0 HH21 ARG A 114 -16.341 17.460 -56.457 1.00 29.67 H new ATOM 0 HH22 ARG A 114 -17.604 17.884 -55.790 1.00 29.67 H new ATOM 872 N LEU A 115 -15.717 8.319 -56.434 1.00 18.23 N ATOM 873 CA LEU A 115 -15.721 7.000 -55.783 1.00 15.53 C ATOM 874 C LEU A 115 -14.296 6.430 -55.836 1.00 21.71 C ATOM 875 O LEU A 115 -13.751 5.873 -54.866 1.00 23.67 O ATOM 876 CB LEU A 115 -16.788 6.103 -56.406 1.00 18.07 C ATOM 877 CG LEU A 115 -16.725 4.652 -55.926 1.00 24.61 C ATOM 878 CD1 LEU A 115 -16.891 4.647 -54.403 1.00 20.58 C ATOM 879 CD2 LEU A 115 -17.829 3.864 -56.617 1.00 17.37 C ATOM 0 H LEU A 115 -16.295 8.403 -57.065 1.00 18.23 H new ATOM 0 HA LEU A 115 -15.966 7.066 -54.847 1.00 15.53 H new ATOM 0 HB2 LEU A 115 -17.664 6.466 -56.202 1.00 18.07 H new ATOM 0 HB3 LEU A 115 -16.692 6.121 -57.371 1.00 18.07 H new ATOM 0 HG LEU A 115 -15.876 4.237 -56.146 1.00 24.61 H new ATOM 0 HD11 LEU A 115 -16.854 3.734 -54.076 1.00 20.58 H new ATOM 0 HD12 LEU A 115 -16.177 5.164 -53.998 1.00 20.58 H new ATOM 0 HD13 LEU A 115 -17.747 5.039 -54.169 1.00 20.58 H new ATOM 0 HD21 LEU A 115 -17.801 2.940 -56.322 1.00 17.37 H new ATOM 0 HD22 LEU A 115 -18.691 4.249 -56.393 1.00 17.37 H new ATOM 0 HD23 LEU A 115 -17.700 3.900 -57.578 1.00 17.37 H new ATOM 880 N GLU A 116 -13.694 6.623 -57.005 1.00 29.60 N ATOM 881 CA GLU A 116 -12.331 6.153 -57.261 1.00 28.91 C ATOM 882 C GLU A 116 -11.332 6.904 -56.398 1.00 19.73 C ATOM 883 O GLU A 116 -10.466 6.166 -55.885 1.00 28.52 O ATOM 884 CB GLU A 116 -11.963 6.222 -58.736 1.00 32.16 C ATOM 885 CG GLU A 116 -12.367 4.956 -59.510 1.00 48.33 C ATOM 886 CD GLU A 116 -12.553 5.212 -60.979 1.00 98.82 C ATOM 887 OE1 GLU A 116 -12.098 6.297 -61.397 1.00 88.23 O ATOM 888 OE2 GLU A 116 -13.129 4.373 -61.641 1.00 54.40 O ATOM 0 H GLU A 116 -14.059 7.027 -57.670 1.00 29.60 H new ATOM 0 HA GLU A 116 -12.297 5.215 -57.015 1.00 28.91 H new ATOM 0 HB2 GLU A 116 -12.394 6.993 -59.137 1.00 32.16 H new ATOM 0 HB3 GLU A 116 -11.006 6.356 -58.821 1.00 32.16 H new ATOM 0 HG2 GLU A 116 -11.687 4.275 -59.387 1.00 48.33 H new ATOM 0 HG3 GLU A 116 -13.191 4.604 -59.140 1.00 48.33 H new ATOM 889 N LYS A 117 -11.473 8.200 -56.240 1.00 28.26 N ATOM 890 CA LYS A 117 -10.530 8.917 -55.366 1.00 27.41 C ATOM 891 C LYS A 117 -10.749 8.479 -53.913 1.00 42.90 C ATOM 892 O LYS A 117 -9.714 8.220 -53.288 1.00 41.06 O ATOM 893 CB LYS A 117 -10.610 10.421 -55.337 1.00 36.84 C ATOM 894 CG LYS A 117 -9.747 11.163 -56.350 1.00 92.42 C ATOM 895 CD LYS A 117 -10.485 11.253 -57.681 1.00 88.28 C ATOM 896 CE LYS A 117 -9.828 12.219 -58.643 1.00106.99 C ATOM 897 NZ LYS A 117 -8.521 11.699 -59.130 1.00106.15 N ATOM 0 H LYS A 117 -12.081 8.683 -56.609 1.00 28.26 H new ATOM 0 HA LYS A 117 -9.670 8.685 -55.750 1.00 27.41 H new ATOM 0 HB2 LYS A 117 -11.534 10.679 -55.477 1.00 36.84 H new ATOM 0 HB3 LYS A 117 -10.363 10.722 -54.448 1.00 36.84 H new ATOM 0 HG2 LYS A 117 -9.541 12.053 -56.023 1.00 92.42 H new ATOM 0 HG3 LYS A 117 -8.902 10.702 -56.469 1.00 92.42 H new ATOM 0 HD2 LYS A 117 -10.523 10.373 -58.087 1.00 88.28 H new ATOM 0 HD3 LYS A 117 -11.400 11.532 -57.522 1.00 88.28 H new ATOM 0 HE2 LYS A 117 -10.417 12.376 -59.398 1.00106.99 H new ATOM 0 HE3 LYS A 117 -9.694 13.074 -58.204 1.00106.99 H new ATOM 0 HZ1 LYS A 117 -8.159 12.286 -59.692 1.00106.15 H new ATOM 0 HZ2 LYS A 117 -7.975 11.575 -58.439 1.00106.15 H new ATOM 0 HZ3 LYS A 117 -8.647 10.925 -59.551 1.00106.15 H new ATOM 898 N VAL A 118 -11.992 8.410 -53.457 1.00 33.80 N ATOM 899 CA VAL A 118 -12.269 8.017 -52.062 1.00 51.29 C ATOM 900 C VAL A 118 -11.686 6.638 -51.744 1.00 35.04 C ATOM 901 O VAL A 118 -11.070 6.524 -50.667 1.00 52.04 O ATOM 902 CB VAL A 118 -13.729 8.157 -51.589 1.00 41.68 C ATOM 903 CG1 VAL A 118 -14.346 9.483 -52.028 1.00 41.91 C ATOM 904 CG2 VAL A 118 -14.644 7.014 -51.940 1.00 38.20 C ATOM 0 H VAL A 118 -12.691 8.583 -53.927 1.00 33.80 H new ATOM 0 HA VAL A 118 -11.804 8.684 -51.533 1.00 51.29 H new ATOM 0 HB VAL A 118 -13.654 8.136 -50.622 1.00 41.68 H new ATOM 0 HG11 VAL A 118 -15.262 9.534 -51.713 1.00 41.91 H new ATOM 0 HG12 VAL A 118 -13.834 10.218 -51.654 1.00 41.91 H new ATOM 0 HG13 VAL A 118 -14.334 9.541 -52.996 1.00 41.91 H new ATOM 0 HG21 VAL A 118 -15.534 7.196 -51.601 1.00 38.20 H new ATOM 0 HG22 VAL A 118 -14.680 6.913 -52.904 1.00 38.20 H new ATOM 0 HG23 VAL A 118 -14.308 6.196 -51.542 1.00 38.20 H new ATOM 905 N ILE A 119 -11.865 5.680 -52.626 1.00 34.69 N ATOM 906 CA ILE A 119 -11.289 4.343 -52.384 1.00 34.11 C ATOM 907 C ILE A 119 -9.763 4.488 -52.338 1.00 94.02 C ATOM 908 O ILE A 119 -9.090 3.679 -51.659 1.00 50.25 O ATOM 909 CB ILE A 119 -11.927 3.319 -53.378 1.00 28.35 C ATOM 910 CG1 ILE A 119 -13.462 3.192 -53.136 1.00 28.41 C ATOM 911 CG2 ILE A 119 -11.286 1.914 -53.342 1.00 49.04 C ATOM 912 CD1 ILE A 119 -14.101 2.219 -54.168 1.00 31.92 C ATOM 0 H ILE A 119 -12.304 5.763 -53.361 1.00 34.69 H new ATOM 0 HA ILE A 119 -11.509 3.956 -51.522 1.00 34.11 H new ATOM 0 HB ILE A 119 -11.752 3.683 -54.260 1.00 28.35 H new ATOM 0 HG12 ILE A 119 -13.627 2.870 -52.236 1.00 28.41 H new ATOM 0 HG13 ILE A 119 -13.879 4.065 -53.206 1.00 28.41 H new ATOM 0 HG21 ILE A 119 -11.733 1.338 -53.982 1.00 49.04 H new ATOM 0 HG22 ILE A 119 -10.345 1.981 -53.569 1.00 49.04 H new ATOM 0 HG23 ILE A 119 -11.377 1.539 -52.452 1.00 49.04 H new ATOM 0 HD11 ILE A 119 -15.054 2.152 -54.003 1.00 31.92 H new ATOM 0 HD12 ILE A 119 -13.952 2.555 -55.066 1.00 31.92 H new ATOM 0 HD13 ILE A 119 -13.696 1.342 -54.080 1.00 31.92 H new ATOM 913 N ALA A 120 -9.183 5.497 -52.973 1.00 98.05 N ATOM 914 CA ALA A 120 -7.729 5.731 -52.987 1.00 65.60 C ATOM 915 C ALA A 120 -7.308 6.944 -52.164 1.00104.27 C ATOM 916 O ALA A 120 -7.222 6.986 -50.925 1.00 59.15 O ATOM 917 CB ALA A 120 -7.269 5.832 -54.445 1.00 28.66 C ATOM 0 H ALA A 120 -9.627 6.082 -53.420 1.00 98.05 H new ATOM 0 HA ALA A 120 -7.290 4.981 -52.557 1.00 65.60 H new ATOM 0 HB1 ALA A 120 -6.312 5.986 -54.473 1.00 28.66 H new ATOM 0 HB2 ALA A 120 -7.476 5.005 -54.908 1.00 28.66 H new ATOM 0 HB3 ALA A 120 -7.727 6.569 -54.879 1.00 28.66 H new TER 918 ALA A 120 HETATM 919 CU CU A 124 -25.713 17.657 -51.041 1.00 21.90 CU HETATM 920 O HOH A 125 -15.540 12.321 -38.544 1.00 17.34 O HETATM 921 O HOH A 126 -18.456 13.490 -51.410 1.00 17.92 O HETATM 922 O HOH A 127 -17.927 -6.492 -44.098 1.00 21.50 O HETATM 923 O HOH A 128 -13.834 16.837 -49.770 1.00 31.45 O HETATM 924 O HOH A 129 -25.406 -0.976 -62.234 1.00 26.16 O HETATM 925 O HOH A 130 -15.983 -7.160 -53.046 1.00 26.44 O HETATM 926 O HOH A 131 -19.120 -7.980 -46.109 1.00 20.65 O HETATM 927 O HOH A 132 -24.691 -4.107 -52.773 1.00 25.70 O HETATM 928 O HOH A 133 -27.711 23.678 -55.364 1.00 50.90 O HETATM 929 O HOH A 134 -26.885 23.669 -51.884 1.00 40.06 O HETATM 930 O HOH A 135 -26.423 -11.071 -42.406 1.00 42.17 O HETATM 931 O HOH A 136 -14.935 14.485 -49.557 1.00 27.01 O HETATM 932 O HOH A 137 -36.390 13.775 -48.363 1.00 46.48 O HETATM 933 O HOH A 138 -21.847 -8.138 -47.092 1.00 38.08 O HETATM 934 O HOH A 139 -30.464 15.312 -44.189 1.00 20.94 O HETATM 935 O HOH A 140 -24.598 -8.286 -44.743 1.00 41.37 O HETATM 936 O HOH A 141 -15.144 -3.633 -59.397 1.00 29.80 O HETATM 937 O HOH A 142 -23.997 -7.761 -48.966 1.00 33.83 O HETATM 938 O HOH A 143 -19.579 -2.977 -32.325 1.00 42.89 O HETATM 939 O HOH A 144 -30.599 11.974 -57.053 1.00 32.96 O HETATM 940 O HOH A 145 -27.661 -1.570 -41.671 1.00 19.86 O HETATM 941 O HOH A 146 -27.263 5.390 -59.857 1.00 52.61 O HETATM 942 O HOH A 147 -31.697 10.827 -37.423 1.00 36.98 O HETATM 943 O HOH A 148 -11.301 15.271 -48.613 1.00 71.39 O HETATM 944 O HOH A 149 -31.184 5.129 -56.600 1.00 45.76 O HETATM 945 O HOH A 150 -12.946 -8.646 -57.448 1.00 39.99 O HETATM 946 O HOH A 151 -13.434 23.399 -53.125 1.00 40.25 O HETATM 947 O HOH A 152 -15.185 8.001 -34.099 1.00 40.81 O HETATM 948 O HOH A 153 -15.825 13.565 -52.183 1.00 29.94 O HETATM 949 O HOH A 154 -18.867 25.204 -48.224 1.00 41.86 O HETATM 950 O HOH A 155 -26.353 26.198 -49.561 1.00 34.32 O HETATM 951 O HOH A 156 -12.751 11.398 -47.242 0.50 19.82 O HETATM 952 O HOH A 157 -16.109 20.558 -58.656 1.00 61.92 O HETATM 953 O HOH A 158 -15.499 19.013 -43.378 1.00 30.46 O HETATM 954 O HOH A 159 -21.139 3.919 -65.244 1.00 38.76 O HETATM 955 O HOH A 160 -10.949 9.318 -60.085 1.00 50.61 O HETATM 956 O HOH A 161 -34.128 4.860 -51.025 1.00 59.05 O HETATM 957 O HOH A 162 -29.607 6.737 -57.793 1.00 39.57 O HETATM 958 O HOH A 163 -36.729 16.627 -47.919 1.00 41.24 O HETATM 959 O HOH A 164 -22.611 10.486 -66.784 1.00 38.65 O HETATM 960 O HOH A 165 -17.515 -10.703 -45.901 1.00 47.45 O HETATM 961 O HOH A 166 -13.608 11.903 -53.305 1.00 43.76 O HETATM 962 O HOH A 167 -23.309 5.988 -31.288 1.00 44.04 O HETATM 963 O HOH A 168 -13.626 -5.690 -50.199 1.00 37.67 O HETATM 964 O HOH A 169 -28.848 2.339 -59.091 1.00 38.17 O HETATM 965 O HOH A 170 -12.950 -2.004 -44.591 1.00 45.34 O HETATM 966 O HOH A 171 -20.626 11.368 -30.371 1.00 45.09 O HETATM 967 O HOH A 172 -9.446 3.481 -56.865 1.00 51.66 O HETATM 968 O HOH A 173 -14.135 -10.615 -40.570 1.00 96.91 O HETATM 969 O HOH A 174 -29.758 -3.991 -51.470 1.00 52.45 O HETATM 970 O HOH A 175 -31.163 1.508 -51.429 1.00 37.85 O HETATM 971 O HOH A 176 -30.348 1.294 -41.050 1.00 55.00 O HETATM 972 O HOH A 177 -21.392 12.856 -64.682 1.00 30.56 O HETATM 973 O HOH A 178 -30.490 -2.147 -41.507 1.00 34.02 O HETATM 974 O HOH A 179 -15.029 18.287 -59.087 1.00 91.08 O HETATM 975 O HOH A 180 -23.639 10.558 -30.105 1.00 38.32 O HETATM 976 O HOH A 181 -35.950 10.331 -42.403 1.00 85.14 O HETATM 977 O HOH A 182 -26.258 -5.964 -52.265 1.00 48.05 O HETATM 978 O HOH A 183 -11.741 11.993 -51.308 1.00 58.28 O HETATM 979 O HOH A 184 -26.534 28.010 -46.521 1.00 64.34 O HETATM 980 O HOH A 185 -17.624 -8.851 -41.486 1.00 47.18 O HETATM 981 O HOH A 186 -29.099 0.464 -43.821 1.00 46.16 O HETATM 982 O HOH A 187 -34.165 -5.727 -43.265 1.00 65.76 O HETATM 983 O HOH A 188 -15.540 24.487 -46.986 1.00 52.64 O HETATM 984 O HOH A 189 -26.701 5.870 -63.567 1.00 58.83 O HETATM 985 O HOH A 190 -26.621 -2.086 -59.260 0.50 25.57 O HETATM 986 O HOH A 191 -28.884 -5.581 -53.418 1.00 44.03 O HETATM 987 O HOH A 192 -31.232 -1.723 -52.278 1.00 47.91 O HETATM 988 O HOH A 193 -12.541 -5.224 -52.593 1.00 55.65 O HETATM 989 O HOH A 194 -13.567 -6.364 -59.716 1.00 46.93 O HETATM 990 O HOH A 195 -33.300 8.011 -55.852 1.00 56.05 O HETATM 991 O HOH A 196 -29.281 4.541 -62.828 1.00 69.46 O HETATM 992 O HOH A 197 -16.630 0.644 -33.560 1.00 64.18 O HETATM 993 O HOH A 198 -35.903 21.172 -43.513 1.00 87.68 O HETATM 994 O HOH A 199 -27.610 17.722 -59.844 1.00 64.94 O HETATM 995 O HOH A 200 -22.508 3.261 -31.168 1.00 45.63 O HETATM 996 O HOH A 201 -13.276 -4.152 -38.550 1.00 58.59 O HETATM 997 O HOH A 202 -13.020 15.870 -62.970 1.00 88.52 O HETATM 998 O HOH A 203 -18.170 5.821 -65.266 1.00 49.69 O HETATM 999 O HOH A 204 -18.454 18.802 -59.917 1.00 69.94 O HETATM 1000 O HOH A 205 -23.717 17.173 -33.171 1.00 50.69 O HETATM 1001 O HOH A 206 -15.166 -9.935 -43.106 1.00 79.29 O HETATM 1002 O HOH A 207 -19.143 7.572 -29.387 1.00 58.98 O HETATM 1003 O HOH A 208 -25.139 12.318 -32.730 1.00 60.91 O HETATM 1004 O HOH A 209 -35.805 4.577 -43.289 1.00 66.00 O HETATM 1005 O HOH A 210 -28.490 3.410 -32.270 1.00 58.06 O HETATM 1006 O HOH A 211 -27.393 21.038 -38.300 1.00 76.16 O HETATM 1007 O HOH A 212 -30.942 4.232 -38.798 1.00 33.28 O HETATM 1008 O HOH A 213 -16.885 21.356 -41.729 0.50 19.08 O HETATM 1009 O HOH A 214 -29.674 25.540 -50.516 1.00 35.19 O HETATM 1010 O HOH A 215 -21.680 14.188 -33.835 1.00 37.74 O HETATM 1011 O HOH A 216 -13.147 12.774 -47.998 0.50 23.46 O CONECT 302 919 CONECT 602 919 CONECT 662 919 CONECT 919 302 602 662 END