USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER ELECTRON TRANSFER(CUPROPROTEIN) 06-SEP-94 1PZA 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 1PZA 1 VERSN REVDAT 1 30-NOV-94 1PZA 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 : 12660 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) : 0.178 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 : 97 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 1PZA 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 (%): 53.75 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.66 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 66.06667 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 33.03333 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 49.55000 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 16.51667 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 82.58333 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 ND2 ASN A 26 O HOH A 191 2.19 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 4 OE1 - CD - OE2 ANGL. DEV. = 8.1 DEGREES REMARK 500 ASP A 37 CB - CG - OD2 ANGL. DEV. = 7.6 DEGREES REMARK 500 GLU A 54 CB - CG - CD ANGL. DEV. = 20.6 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 75.97 57.86 REMARK 500 THR A 69 -63.51 -109.13 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 140.2 REMARK 620 3 HIS A 81 ND1 102.2 108.3 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: 1PZB 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 1PZA 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 *97(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 2.16 LINK CU CU A 124 SG CYS A 78 1555 1555 2.17 LINK CU CU A 124 ND1 HIS A 81 1555 1555 2.29 CISPEP 1 GLU A 19 PRO A 20 0 -1.29 SITE *** AC1 4 HIS A 40 CYS A 78 HIS A 81 MET A 86 CRYST1 49.900 49.900 99.100 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 0.020040 0.011570 0.000000 0.00000 SCALE2 0.000000 0.023140 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010091 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 NoAdj-H: A 81 HIS HD1 : A 81 HIS ND1 : A 124 CUCU :(H bumps) USER MOD Set 1.1: A 107 LYS NZ :NH3+ 148:sc= 2.48 (180deg=1.07) USER MOD Set 1.2: A 112 GLN : amide:sc= 0.721 K(o=3.2,f=-4.6!) USER MOD Set 2.1: A 41 ASN : amide:sc= 0.825 K(o=2.1,f=-3.3!) USER MOD Set 2.2: A 79 THR OG1 : rot -88:sc= 1.32 USER MOD Set 3.1: A 2 ASN : amide:sc= 1.81 X(o=4,f=3.6) USER MOD Set 3.2: A 30 THR OG1 : rot 91:sc= 0.883 USER MOD Set 3.3: A 32 THR OG1 : rot 90:sc= 1.26 USER MOD Single : A 1 GLU N :NH3+ -179:sc= 0.561 (180deg=0.56) USER MOD Single : A 6 HIS : no HD1:sc= 0.235 K(o=0.23,f=-1.7) USER MOD Single : A 7 MET CE :methyl 147:sc= -19.3! (180deg=-22.9!) USER MOD Single : A 9 ASN : amide:sc= 1.39 K(o=1.4,f=-1.5) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 161:sc= -0.165 (180deg=-0.375) USER MOD Single : A 26 ASN :FLIP amide:sc= -3.49! C(o=-5.3!,f=-3.5!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 26:sc= 0.28 USER MOD Single : A 46 LYS NZ :NH3+ 143:sc= 0.0111 (180deg=-0.095) USER MOD Single : A 48 MET CE :methyl -123:sc= -0.0252 (180deg=-0.171) USER MOD Single : A 55 LYS NZ :NH3+ -136:sc= -3.33! (180deg=-5.41!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 157:sc= 1.43 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -1.27 K(o=-1.3,f=-12!) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 64 TYR OH : rot 180: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= -0.0612 K(o=-0.061,f=-1) USER MOD Single : A 74 TYR OH : rot -4:sc= 2.58 USER MOD Single : A 77 LYS NZ :NH3+ -172:sc= 0.526 (180deg=0.488) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -115:sc= 0 (180deg=-0.815) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 2.21 K(o=2.2,f=-9.2!) USER MOD Single : A 101 GLN :FLIP amide:sc= 0.367 F(o=-0.55,f=0.37) USER MOD Single : A 104 SER OG : rot 66:sc= 0.047 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ B:NH3+ 139:sc= 0.263 (180deg=-0.401) USER MOD Single : A 117 LYS NZ :NH3+ -164:sc= -0.266 (180deg=-0.744!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -19.679 3.322 -31.766 1.00 27.62 N ATOM 2 CA GLU A 1 -19.105 4.678 -31.920 1.00 33.32 C ATOM 3 C GLU A 1 -19.889 5.409 -33.005 1.00 27.57 C ATOM 4 O GLU A 1 -20.634 4.817 -33.786 1.00 19.00 O ATOM 5 CB GLU A 1 -17.620 4.646 -32.178 1.00 25.05 C ATOM 6 CG GLU A 1 -16.960 4.269 -33.479 1.00 38.01 C ATOM 7 CD GLU A 1 -15.482 4.563 -33.563 1.00108.15 C ATOM 8 OE1 GLU A 1 -14.696 4.098 -32.747 1.00103.37 O ATOM 9 OE2 GLU A 1 -15.143 5.310 -34.513 1.00104.15 O ATOM 0 H1 GLU A 1 -19.242 2.885 -31.125 1.00 27.62 H new ATOM 0 H2 GLU A 1 -20.539 3.387 -31.547 1.00 27.62 H new ATOM 0 H3 GLU A 1 -19.601 2.878 -32.533 1.00 27.62 H new ATOM 0 HA GLU A 1 -19.194 5.168 -31.087 1.00 33.32 H new ATOM 0 HB2 GLU A 1 -17.297 5.536 -31.968 1.00 25.05 H new ATOM 0 HB3 GLU A 1 -17.250 4.046 -31.512 1.00 25.05 H new ATOM 0 HG2 GLU A 1 -17.095 3.320 -33.630 1.00 38.01 H new ATOM 0 HG3 GLU A 1 -17.409 4.737 -34.200 1.00 38.01 H new ATOM 10 N ASN A 2 -19.738 6.709 -33.026 1.00 18.57 N ATOM 11 CA ASN A 2 -20.369 7.634 -33.961 1.00 12.52 C ATOM 12 C ASN A 2 -19.286 8.295 -34.822 1.00 18.19 C ATOM 13 O ASN A 2 -18.182 8.612 -34.357 1.00 18.39 O ATOM 14 CB ASN A 2 -21.195 8.641 -33.179 1.00 18.16 C ATOM 15 CG ASN A 2 -21.978 9.629 -34.009 1.00 18.66 C ATOM 16 OD1 ASN A 2 -22.882 9.312 -34.790 1.00 20.41 O ATOM 17 ND2 ASN A 2 -21.653 10.911 -33.790 1.00 17.87 N ATOM 0 H ASN A 2 -19.232 7.113 -32.460 1.00 18.57 H new ATOM 0 HA ASN A 2 -20.971 7.169 -34.562 1.00 12.52 H new ATOM 0 HB2 ASN A 2 -21.815 8.156 -32.613 1.00 18.16 H new ATOM 0 HB3 ASN A 2 -20.602 9.135 -32.592 1.00 18.16 H new ATOM 0 HD21 ASN A 2 -22.078 11.538 -34.198 1.00 17.87 H new ATOM 0 HD22 ASN A 2 -21.020 11.106 -33.242 1.00 17.87 H new ATOM 18 N ILE A 3 -19.650 8.466 -36.082 1.00 14.69 N ATOM 19 CA ILE A 3 -18.810 9.117 -37.090 1.00 16.25 C ATOM 20 C ILE A 3 -19.594 10.322 -37.624 1.00 15.81 C ATOM 21 O ILE A 3 -20.716 10.135 -38.126 1.00 16.26 O ATOM 22 CB ILE A 3 -18.350 8.207 -38.277 1.00 13.96 C ATOM 23 CG1 ILE A 3 -17.701 6.916 -37.738 1.00 16.97 C ATOM 24 CG2 ILE A 3 -17.438 8.978 -39.280 1.00 14.71 C ATOM 25 CD1 ILE A 3 -18.691 5.728 -37.599 1.00 24.52 C ATOM 0 H ILE A 3 -20.409 8.203 -36.388 1.00 14.69 H new ATOM 0 HA ILE A 3 -17.982 9.369 -36.652 1.00 16.25 H new ATOM 0 HB ILE A 3 -19.132 7.945 -38.788 1.00 13.96 H new ATOM 0 HG12 ILE A 3 -16.978 6.656 -38.330 1.00 16.97 H new ATOM 0 HG13 ILE A 3 -17.306 7.100 -36.871 1.00 16.97 H new ATOM 0 HG21 ILE A 3 -17.173 8.384 -40.000 1.00 14.71 H new ATOM 0 HG22 ILE A 3 -17.925 9.732 -39.647 1.00 14.71 H new ATOM 0 HG23 ILE A 3 -16.647 9.298 -38.818 1.00 14.71 H new ATOM 0 HD11 ILE A 3 -18.220 4.952 -37.257 1.00 24.52 H new ATOM 0 HD12 ILE A 3 -19.403 5.970 -36.986 1.00 24.52 H new ATOM 0 HD13 ILE A 3 -19.070 5.519 -38.467 1.00 24.52 H new ATOM 26 N GLU A 4 -19.054 11.512 -37.525 1.00 10.03 N ATOM 27 CA GLU A 4 -19.754 12.713 -38.037 1.00 13.86 C ATOM 28 C GLU A 4 -19.269 13.025 -39.453 1.00 10.11 C ATOM 29 O GLU A 4 -18.080 12.937 -39.767 1.00 16.03 O ATOM 30 CB GLU A 4 -19.541 13.852 -37.069 1.00 16.84 C ATOM 31 CG GLU A 4 -20.007 15.253 -37.388 1.00 35.01 C ATOM 32 CD GLU A 4 -19.819 16.121 -36.157 1.00 51.21 C ATOM 33 OE1 GLU A 4 -20.114 15.660 -35.064 1.00 28.16 O ATOM 34 OE2 GLU A 4 -19.341 17.224 -36.485 1.00 35.54 O ATOM 0 H GLU A 4 -18.286 11.667 -37.170 1.00 10.03 H new ATOM 0 HA GLU A 4 -20.710 12.561 -38.099 1.00 13.86 H new ATOM 0 HB2 GLU A 4 -19.965 13.597 -36.235 1.00 16.84 H new ATOM 0 HB3 GLU A 4 -18.587 13.903 -36.899 1.00 16.84 H new ATOM 0 HG2 GLU A 4 -19.502 15.614 -38.134 1.00 35.01 H new ATOM 0 HG3 GLU A 4 -20.940 15.245 -37.654 1.00 35.01 H new ATOM 35 N VAL A 5 -20.231 13.295 -40.310 1.00 11.39 N ATOM 36 CA VAL A 5 -20.077 13.582 -41.744 1.00 14.13 C ATOM 37 C VAL A 5 -20.748 14.916 -42.058 1.00 13.97 C ATOM 38 O VAL A 5 -21.907 15.151 -41.690 1.00 17.13 O ATOM 39 CB VAL A 5 -20.675 12.374 -42.562 1.00 12.57 C ATOM 40 CG1 VAL A 5 -20.659 12.574 -44.082 1.00 11.62 C ATOM 41 CG2 VAL A 5 -20.005 11.060 -42.150 1.00 8.36 C ATOM 0 H VAL A 5 -21.055 13.320 -40.064 1.00 11.39 H new ATOM 0 HA VAL A 5 -19.145 13.670 -41.997 1.00 14.13 H new ATOM 0 HB VAL A 5 -21.616 12.330 -42.330 1.00 12.57 H new ATOM 0 HG11 VAL A 5 -21.040 11.794 -44.515 1.00 11.62 H new ATOM 0 HG12 VAL A 5 -21.182 13.358 -44.311 1.00 11.62 H new ATOM 0 HG13 VAL A 5 -19.745 12.696 -44.383 1.00 11.62 H new ATOM 0 HG21 VAL A 5 -20.384 10.329 -42.662 1.00 8.36 H new ATOM 0 HG22 VAL A 5 -19.052 11.115 -42.322 1.00 8.36 H new ATOM 0 HG23 VAL A 5 -20.154 10.903 -41.204 1.00 8.36 H new ATOM 42 N HIS A 6 -20.045 15.801 -42.739 1.00 16.05 N ATOM 43 CA HIS A 6 -20.557 17.116 -43.141 1.00 20.51 C ATOM 44 C HIS A 6 -20.964 17.120 -44.617 1.00 13.83 C ATOM 45 O HIS A 6 -20.227 16.558 -45.435 1.00 14.08 O ATOM 46 CB HIS A 6 -19.526 18.262 -42.884 1.00 12.98 C ATOM 47 CG HIS A 6 -19.287 18.496 -41.411 1.00 19.94 C ATOM 48 ND1 HIS A 6 -18.542 19.507 -40.855 1.00 16.45 N ATOM 49 CD2 HIS A 6 -19.779 17.765 -40.371 1.00 21.25 C ATOM 50 CE1 HIS A 6 -18.588 19.350 -39.544 1.00 20.95 C ATOM 51 NE2 HIS A 6 -19.324 18.303 -39.215 1.00 24.65 N ATOM 0 H HIS A 6 -19.235 15.659 -42.991 1.00 16.05 H new ATOM 0 HA HIS A 6 -21.337 17.284 -42.589 1.00 20.51 H new ATOM 0 HB2 HIS A 6 -18.686 18.041 -43.315 1.00 12.98 H new ATOM 0 HB3 HIS A 6 -19.847 19.081 -43.292 1.00 12.98 H new ATOM 0 HD2 HIS A 6 -20.334 17.022 -40.443 1.00 21.25 H new ATOM 0 HE1 HIS A 6 -18.159 19.904 -38.933 1.00 20.95 H new ATOM 0 HE2 HIS A 6 -19.483 18.018 -38.419 1.00 24.65 H new ATOM 52 N MET A 7 -22.081 17.745 -44.915 1.00 12.77 N ATOM 53 CA MET A 7 -22.620 17.932 -46.278 1.00 9.21 C ATOM 54 C MET A 7 -22.278 19.397 -46.600 1.00 13.88 C ATOM 55 O MET A 7 -22.733 20.330 -45.919 1.00 14.94 O ATOM 56 CB MET A 7 -24.081 17.528 -46.278 1.00 14.06 C ATOM 57 CG MET A 7 -24.191 16.090 -45.692 1.00 22.70 C ATOM 58 SD MET A 7 -25.932 15.696 -45.360 1.00 37.65 S ATOM 59 CE MET A 7 -25.900 13.912 -45.238 1.00 79.52 C ATOM 0 H MET A 7 -22.582 18.095 -44.310 1.00 12.77 H new ATOM 0 HA MET A 7 -22.248 17.379 -46.983 1.00 9.21 H new ATOM 0 HB2 MET A 7 -24.603 18.150 -45.748 1.00 14.06 H new ATOM 0 HB3 MET A 7 -24.439 17.554 -47.179 1.00 14.06 H new ATOM 0 HG2 MET A 7 -23.818 15.448 -46.316 1.00 22.70 H new ATOM 0 HG3 MET A 7 -23.674 16.024 -44.874 1.00 22.70 H new ATOM 0 HE1 MET A 7 -26.564 13.620 -44.594 1.00 79.52 H new ATOM 0 HE2 MET A 7 -26.098 13.525 -46.105 1.00 79.52 H new ATOM 0 HE3 MET A 7 -25.021 13.623 -44.948 1.00 79.52 H new ATOM 60 N LEU A 8 -21.428 19.600 -47.583 1.00 17.51 N ATOM 61 CA LEU A 8 -20.949 20.902 -48.010 1.00 17.05 C ATOM 62 C LEU A 8 -21.089 21.193 -49.502 1.00 17.56 C ATOM 63 O LEU A 8 -20.982 20.340 -50.361 1.00 15.99 O ATOM 64 CB LEU A 8 -19.438 20.997 -47.707 1.00 15.17 C ATOM 65 CG LEU A 8 -18.997 20.731 -46.290 1.00 18.16 C ATOM 66 CD1 LEU A 8 -17.679 19.984 -46.272 1.00 23.66 C ATOM 67 CD2 LEU A 8 -18.817 22.075 -45.606 1.00 29.30 C ATOM 0 H LEU A 8 -21.096 18.954 -48.044 1.00 17.51 H new ATOM 0 HA LEU A 8 -21.499 21.539 -47.529 1.00 17.05 H new ATOM 0 HB2 LEU A 8 -18.976 20.372 -48.287 1.00 15.17 H new ATOM 0 HB3 LEU A 8 -19.138 21.886 -47.952 1.00 15.17 H new ATOM 0 HG LEU A 8 -19.660 20.189 -45.835 1.00 18.16 H new ATOM 0 HD11 LEU A 8 -17.411 19.822 -45.354 1.00 23.66 H new ATOM 0 HD12 LEU A 8 -17.781 19.137 -46.733 1.00 23.66 H new ATOM 0 HD13 LEU A 8 -17.000 20.515 -46.717 1.00 23.66 H new ATOM 0 HD21 LEU A 8 -18.532 21.936 -44.689 1.00 29.30 H new ATOM 0 HD22 LEU A 8 -18.145 22.591 -46.078 1.00 29.30 H new ATOM 0 HD23 LEU A 8 -19.659 22.557 -45.613 1.00 29.30 H new ATOM 68 N ASN A 9 -21.253 22.488 -49.743 1.00 23.47 N ATOM 69 CA ASN A 9 -21.370 23.087 -51.080 1.00 17.10 C ATOM 70 C ASN A 9 -20.006 23.002 -51.764 1.00 11.86 C ATOM 71 O ASN A 9 -19.931 22.745 -52.974 1.00 21.88 O ATOM 72 CB ASN A 9 -21.877 24.516 -51.027 1.00 19.43 C ATOM 73 CG ASN A 9 -23.359 24.683 -50.772 1.00 27.54 C ATOM 74 OD1 ASN A 9 -24.181 23.768 -50.935 1.00 27.15 O ATOM 75 ND2 ASN A 9 -23.732 25.906 -50.363 1.00 32.38 N ATOM 0 H ASN A 9 -21.302 23.070 -49.111 1.00 23.47 H new ATOM 0 HA ASN A 9 -22.028 22.593 -51.593 1.00 17.10 H new ATOM 0 HB2 ASN A 9 -21.392 24.987 -50.332 1.00 19.43 H new ATOM 0 HB3 ASN A 9 -21.660 24.949 -51.868 1.00 19.43 H new ATOM 0 HD21 ASN A 9 -24.561 26.073 -50.206 1.00 32.38 H new ATOM 0 HD22 ASN A 9 -23.142 26.523 -50.258 1.00 32.38 H new ATOM 76 N LYS A 10 -18.974 23.173 -50.969 1.00 17.15 N ATOM 77 CA LYS A 10 -17.590 23.124 -51.455 1.00 24.74 C ATOM 78 C LYS A 10 -16.693 22.562 -50.366 1.00 21.78 C ATOM 79 O LYS A 10 -16.812 22.959 -49.193 1.00 30.66 O ATOM 80 CB LYS A 10 -17.194 24.552 -51.840 1.00 27.36 C ATOM 81 CG LYS A 10 -16.036 24.702 -52.816 1.00 58.78 C ATOM 82 CD LYS A 10 -15.770 26.156 -53.190 1.00105.01 C ATOM 83 CE LYS A 10 -16.901 26.806 -53.961 1.00 99.69 C ATOM 84 NZ LYS A 10 -16.644 28.258 -54.177 1.00103.18 N ATOM 0 H LYS A 10 -19.044 23.322 -50.125 1.00 17.15 H new ATOM 0 HA LYS A 10 -17.499 22.546 -52.228 1.00 24.74 H new ATOM 0 HB2 LYS A 10 -17.971 24.989 -52.223 1.00 27.36 H new ATOM 0 HB3 LYS A 10 -16.970 25.033 -51.028 1.00 27.36 H new ATOM 0 HG2 LYS A 10 -15.235 24.321 -52.424 1.00 58.78 H new ATOM 0 HG3 LYS A 10 -16.227 24.194 -53.620 1.00 58.78 H new ATOM 0 HD2 LYS A 10 -15.607 26.665 -52.380 1.00105.01 H new ATOM 0 HD3 LYS A 10 -14.960 26.201 -53.721 1.00105.01 H new ATOM 0 HE2 LYS A 10 -17.008 26.363 -54.817 1.00 99.69 H new ATOM 0 HE3 LYS A 10 -17.733 26.691 -53.477 1.00 99.69 H new ATOM 0 HZ1 LYS A 10 -17.321 28.615 -54.631 1.00103.18 H new ATOM 0 HZ2 LYS A 10 -16.567 28.666 -53.390 1.00103.18 H new ATOM 0 HZ3 LYS A 10 -15.891 28.361 -54.639 1.00103.18 H new ATOM 85 N GLY A 11 -15.826 21.660 -50.764 1.00 17.37 N ATOM 86 CA GLY A 11 -14.880 21.044 -49.804 1.00 17.84 C ATOM 87 C GLY A 11 -13.570 20.787 -50.538 1.00 19.09 C ATOM 88 O GLY A 11 -13.352 21.333 -51.627 1.00 20.06 O ATOM 0 H GLY A 11 -15.753 21.379 -51.574 1.00 17.37 H new ATOM 0 HA2 GLY A 11 -14.735 21.631 -49.046 1.00 17.84 H new ATOM 0 HA3 GLY A 11 -15.242 20.215 -49.455 1.00 17.84 H new ATOM 89 N ALA A 12 -12.737 19.936 -49.978 1.00 15.13 N ATOM 90 CA ALA A 12 -11.440 19.587 -50.544 1.00 17.36 C ATOM 91 C ALA A 12 -11.478 19.032 -51.960 1.00 33.38 C ATOM 92 O ALA A 12 -10.582 19.368 -52.754 1.00 21.58 O ATOM 93 CB ALA A 12 -10.740 18.582 -49.625 1.00 20.57 C ATOM 0 H ALA A 12 -12.909 19.531 -49.239 1.00 15.13 H new ATOM 0 HA ALA A 12 -10.951 20.422 -50.606 1.00 17.36 H new ATOM 0 HB1 ALA A 12 -9.876 18.348 -49.999 1.00 20.57 H new ATOM 0 HB2 ALA A 12 -10.615 18.977 -48.748 1.00 20.57 H new ATOM 0 HB3 ALA A 12 -11.284 17.783 -49.545 1.00 20.57 H new ATOM 94 N GLU A 13 -12.449 18.179 -52.241 1.00 21.70 N ATOM 95 CA GLU A 13 -12.604 17.543 -53.546 1.00 23.09 C ATOM 96 C GLU A 13 -13.359 18.351 -54.588 1.00 23.60 C ATOM 97 O GLU A 13 -13.466 17.914 -55.749 1.00 26.16 O ATOM 98 CB GLU A 13 -13.317 16.190 -53.397 1.00 19.08 C ATOM 99 CG GLU A 13 -12.407 15.145 -52.713 1.00 26.97 C ATOM 100 CD GLU A 13 -11.206 14.800 -53.560 1.00 60.67 C ATOM 101 OE1 GLU A 13 -11.272 14.701 -54.778 1.00 58.97 O ATOM 102 OE2 GLU A 13 -10.186 14.646 -52.855 1.00 45.29 O ATOM 0 H GLU A 13 -13.049 17.947 -51.671 1.00 21.70 H new ATOM 0 HA GLU A 13 -11.695 17.451 -53.871 1.00 23.09 H new ATOM 0 HB2 GLU A 13 -14.128 16.305 -52.877 1.00 19.08 H new ATOM 0 HB3 GLU A 13 -13.585 15.866 -54.271 1.00 19.08 H new ATOM 0 HG2 GLU A 13 -12.109 15.488 -51.856 1.00 26.97 H new ATOM 0 HG3 GLU A 13 -12.918 14.340 -52.534 1.00 26.97 H new ATOM 103 N GLY A 14 -13.869 19.489 -54.175 1.00 17.59 N ATOM 104 CA GLY A 14 -14.610 20.387 -55.040 1.00 15.23 C ATOM 105 C GLY A 14 -15.978 20.736 -54.470 1.00 21.00 C ATOM 106 O GLY A 14 -16.190 20.836 -53.257 1.00 21.36 O ATOM 0 H GLY A 14 -13.795 19.772 -53.366 1.00 17.59 H new ATOM 0 HA2 GLY A 14 -14.099 21.201 -55.172 1.00 15.23 H new ATOM 0 HA3 GLY A 14 -14.720 19.976 -55.912 1.00 15.23 H new ATOM 107 N ALA A 15 -16.885 20.900 -55.433 1.00 13.98 N ATOM 108 CA ALA A 15 -18.259 21.278 -55.093 1.00 18.08 C ATOM 109 C ALA A 15 -19.146 20.087 -54.774 1.00 18.26 C ATOM 110 O ALA A 15 -18.928 19.045 -55.408 1.00 18.21 O ATOM 111 CB ALA A 15 -18.857 22.038 -56.278 1.00 18.84 C ATOM 0 H ALA A 15 -16.731 20.800 -56.273 1.00 13.98 H new ATOM 0 HA ALA A 15 -18.222 21.825 -54.293 1.00 18.08 H new ATOM 0 HB1 ALA A 15 -19.768 22.297 -56.070 1.00 18.84 H new ATOM 0 HB2 ALA A 15 -18.328 22.832 -56.454 1.00 18.84 H new ATOM 0 HB3 ALA A 15 -18.854 21.468 -57.063 1.00 18.84 H new ATOM 112 N MET A 16 -20.092 20.346 -53.885 1.00 20.38 N ATOM 113 CA MET A 16 -21.099 19.328 -53.512 1.00 18.06 C ATOM 114 C MET A 16 -20.431 18.066 -52.970 1.00 11.34 C ATOM 115 O MET A 16 -20.361 17.094 -53.741 1.00 13.71 O ATOM 116 CB MET A 16 -21.989 19.018 -54.718 1.00 15.11 C ATOM 117 CG MET A 16 -22.622 20.214 -55.366 1.00 18.31 C ATOM 118 SD MET A 16 -23.280 21.376 -54.123 1.00 23.03 S ATOM 119 CE MET A 16 -23.960 22.696 -55.126 1.00 28.47 C ATOM 0 H MET A 16 -20.179 21.100 -53.480 1.00 20.38 H new ATOM 0 HA MET A 16 -21.656 19.682 -52.801 1.00 18.06 H new ATOM 0 HB2 MET A 16 -21.459 18.551 -55.382 1.00 15.11 H new ATOM 0 HB3 MET A 16 -22.691 18.411 -54.437 1.00 15.11 H new ATOM 0 HG2 MET A 16 -21.968 20.667 -55.920 1.00 18.31 H new ATOM 0 HG3 MET A 16 -23.339 19.925 -55.952 1.00 18.31 H new ATOM 0 HE1 MET A 16 -24.341 23.377 -54.550 1.00 28.47 H new ATOM 0 HE2 MET A 16 -23.256 23.087 -55.666 1.00 28.47 H new ATOM 0 HE3 MET A 16 -24.651 22.339 -55.705 1.00 28.47 H new ATOM 120 N VAL A 17 -19.964 18.135 -51.745 1.00 12.07 N ATOM 121 CA VAL A 17 -19.264 16.985 -51.155 1.00 13.38 C ATOM 122 C VAL A 17 -19.708 16.571 -49.746 1.00 15.63 C ATOM 123 O VAL A 17 -20.274 17.351 -48.955 1.00 14.33 O ATOM 124 CB VAL A 17 -17.732 17.279 -51.093 1.00 16.03 C ATOM 125 CG1 VAL A 17 -17.086 17.407 -52.461 1.00 17.76 C ATOM 126 CG2 VAL A 17 -17.436 18.465 -50.191 1.00 13.97 C ATOM 0 H VAL A 17 -20.033 18.822 -51.233 1.00 12.07 H new ATOM 0 HA VAL A 17 -19.491 16.247 -51.742 1.00 13.38 H new ATOM 0 HB VAL A 17 -17.316 16.499 -50.693 1.00 16.03 H new ATOM 0 HG11 VAL A 17 -16.139 17.589 -52.356 1.00 17.76 H new ATOM 0 HG12 VAL A 17 -17.204 16.580 -52.953 1.00 17.76 H new ATOM 0 HG13 VAL A 17 -17.502 18.135 -52.949 1.00 17.76 H new ATOM 0 HG21 VAL A 17 -16.480 18.625 -50.170 1.00 13.97 H new ATOM 0 HG22 VAL A 17 -17.888 19.252 -50.532 1.00 13.97 H new ATOM 0 HG23 VAL A 17 -17.751 18.276 -49.293 1.00 13.97 H new ATOM 127 N PHE A 18 -19.376 15.299 -49.479 1.00 14.50 N ATOM 128 CA PHE A 18 -19.583 14.695 -48.149 1.00 10.15 C ATOM 129 C PHE A 18 -18.152 14.665 -47.576 1.00 12.95 C ATOM 130 O PHE A 18 -17.247 14.239 -48.332 1.00 12.84 O ATOM 131 CB PHE A 18 -20.201 13.308 -48.109 1.00 9.74 C ATOM 132 CG PHE A 18 -21.668 13.147 -48.338 1.00 10.36 C ATOM 133 CD1 PHE A 18 -22.575 13.169 -47.264 1.00 18.54 C ATOM 134 CD2 PHE A 18 -22.170 12.913 -49.636 1.00 13.85 C ATOM 135 CE1 PHE A 18 -23.945 12.981 -47.492 1.00 19.12 C ATOM 136 CE2 PHE A 18 -23.522 12.735 -49.873 1.00 10.80 C ATOM 137 CZ PHE A 18 -24.408 12.779 -48.806 1.00 15.35 C ATOM 0 H PHE A 18 -19.028 14.766 -50.057 1.00 14.50 H new ATOM 0 HA PHE A 18 -20.236 15.212 -47.652 1.00 10.15 H new ATOM 0 HB2 PHE A 18 -19.743 12.767 -48.771 1.00 9.74 H new ATOM 0 HB3 PHE A 18 -19.999 12.925 -47.241 1.00 9.74 H new ATOM 0 HD1 PHE A 18 -22.265 13.309 -46.399 1.00 18.54 H new ATOM 0 HD2 PHE A 18 -21.577 12.877 -50.351 1.00 13.85 H new ATOM 0 HE1 PHE A 18 -24.544 12.990 -46.780 1.00 19.12 H new ATOM 0 HE2 PHE A 18 -23.833 12.588 -50.737 1.00 10.80 H new ATOM 0 HZ PHE A 18 -25.319 12.674 -48.961 1.00 15.35 H new ATOM 138 N GLU A 19 -17.936 15.085 -46.340 1.00 13.87 N ATOM 139 CA GLU A 19 -16.606 15.045 -45.704 1.00 15.00 C ATOM 140 C GLU A 19 -16.749 14.375 -44.332 1.00 9.31 C ATOM 141 O GLU A 19 -17.440 14.942 -43.482 1.00 12.24 O ATOM 142 CB GLU A 19 -15.951 16.450 -45.573 1.00 13.63 C ATOM 143 CG GLU A 19 -15.448 16.926 -46.947 1.00 17.48 C ATOM 144 CD GLU A 19 -14.693 18.226 -46.951 1.00 21.65 C ATOM 145 OE1 GLU A 19 -14.716 18.915 -45.951 1.00 21.35 O ATOM 146 OE2 GLU A 19 -14.102 18.456 -48.015 1.00 18.86 O ATOM 0 H GLU A 19 -18.554 15.405 -45.835 1.00 13.87 H new ATOM 0 HA GLU A 19 -16.010 14.533 -46.273 1.00 15.00 H new ATOM 0 HB2 GLU A 19 -16.594 17.083 -45.219 1.00 13.63 H new ATOM 0 HB3 GLU A 19 -15.213 16.414 -44.945 1.00 13.63 H new ATOM 0 HG2 GLU A 19 -14.875 16.237 -47.320 1.00 17.48 H new ATOM 0 HG3 GLU A 19 -16.211 17.012 -47.540 1.00 17.48 H new ATOM 147 N PRO A 20 -16.179 13.213 -44.094 1.00 12.59 N ATOM 148 CA PRO A 20 -15.397 12.425 -45.053 1.00 12.53 C ATOM 149 C PRO A 20 -16.266 11.723 -46.091 1.00 13.50 C ATOM 150 O PRO A 20 -17.486 11.532 -45.829 1.00 14.43 O ATOM 151 CB PRO A 20 -14.728 11.419 -44.100 1.00 14.98 C ATOM 152 CG PRO A 20 -15.780 11.174 -43.036 1.00 11.37 C ATOM 153 CD PRO A 20 -16.340 12.559 -42.776 1.00 12.31 C ATOM 0 HA PRO A 20 -14.787 12.951 -45.593 1.00 12.53 H new ATOM 0 HB2 PRO A 20 -14.488 10.599 -44.559 1.00 14.98 H new ATOM 0 HB3 PRO A 20 -13.912 11.779 -43.718 1.00 14.98 H new ATOM 0 HG2 PRO A 20 -16.466 10.562 -43.345 1.00 11.37 H new ATOM 0 HG3 PRO A 20 -15.395 10.787 -42.234 1.00 11.37 H new ATOM 0 HD2 PRO A 20 -17.269 12.528 -42.498 1.00 12.31 H new ATOM 0 HD3 PRO A 20 -15.850 13.023 -42.079 1.00 12.31 H new ATOM 154 N ALA A 21 -15.723 11.300 -47.218 1.00 11.32 N ATOM 155 CA ALA A 21 -16.484 10.597 -48.267 1.00 9.80 C ATOM 156 C ALA A 21 -16.274 9.076 -48.187 1.00 13.50 C ATOM 157 O ALA A 21 -16.854 8.296 -48.936 1.00 13.27 O ATOM 158 CB ALA A 21 -16.152 11.106 -49.654 1.00 14.51 C ATOM 0 H ALA A 21 -14.892 11.409 -47.409 1.00 11.32 H new ATOM 0 HA ALA A 21 -17.421 10.786 -48.103 1.00 9.80 H new ATOM 0 HB1 ALA A 21 -16.673 10.618 -50.311 1.00 14.51 H new ATOM 0 HB2 ALA A 21 -16.363 12.051 -49.711 1.00 14.51 H new ATOM 0 HB3 ALA A 21 -15.207 10.975 -49.829 1.00 14.51 H new ATOM 159 N TYR A 22 -15.408 8.690 -47.272 1.00 16.70 N ATOM 160 CA TYR A 22 -15.074 7.290 -46.992 1.00 15.33 C ATOM 161 C TYR A 22 -15.262 7.090 -45.489 1.00 19.85 C ATOM 162 O TYR A 22 -14.511 7.657 -44.706 1.00 14.36 O ATOM 163 CB TYR A 22 -13.694 6.855 -47.495 1.00 18.62 C ATOM 164 CG TYR A 22 -13.480 5.373 -47.235 1.00 19.05 C ATOM 165 CD1 TYR A 22 -14.109 4.361 -47.968 1.00 30.10 C ATOM 166 CD2 TYR A 22 -12.651 5.014 -46.174 1.00 33.24 C ATOM 167 CE1 TYR A 22 -13.906 3.014 -47.667 1.00 32.20 C ATOM 168 CE2 TYR A 22 -12.426 3.667 -45.865 1.00 29.87 C ATOM 169 CZ TYR A 22 -13.054 2.685 -46.613 1.00 25.95 C ATOM 170 OH TYR A 22 -12.766 1.406 -46.238 1.00 48.28 O ATOM 0 H TYR A 22 -14.979 9.246 -46.776 1.00 16.70 H new ATOM 0 HA TYR A 22 -15.667 6.708 -47.493 1.00 15.33 H new ATOM 0 HB2 TYR A 22 -13.617 7.037 -48.445 1.00 18.62 H new ATOM 0 HB3 TYR A 22 -13.003 7.371 -47.050 1.00 18.62 H new ATOM 0 HD1 TYR A 22 -14.674 4.591 -48.670 1.00 30.10 H new ATOM 0 HD2 TYR A 22 -12.242 5.677 -45.665 1.00 33.24 H new ATOM 0 HE1 TYR A 22 -14.330 2.349 -48.159 1.00 32.20 H new ATOM 0 HE2 TYR A 22 -11.860 3.434 -45.164 1.00 29.87 H new ATOM 0 HH TYR A 22 -12.236 1.417 -45.587 1.00 48.28 H new ATOM 171 N ILE A 23 -16.264 6.304 -45.101 1.00 16.07 N ATOM 172 CA ILE A 23 -16.587 6.030 -43.697 1.00 13.90 C ATOM 173 C ILE A 23 -16.405 4.534 -43.395 1.00 12.43 C ATOM 174 O ILE A 23 -16.977 3.662 -44.036 1.00 15.85 O ATOM 175 CB ILE A 23 -18.005 6.590 -43.316 1.00 15.50 C ATOM 176 CG1 ILE A 23 -18.172 8.093 -43.667 1.00 17.22 C ATOM 177 CG2 ILE A 23 -18.375 6.351 -41.829 1.00 15.55 C ATOM 178 CD1 ILE A 23 -19.204 8.379 -44.789 1.00 13.88 C ATOM 0 H ILE A 23 -16.787 5.906 -45.656 1.00 16.07 H new ATOM 0 HA ILE A 23 -15.965 6.505 -43.124 1.00 13.90 H new ATOM 0 HB ILE A 23 -18.624 6.080 -43.862 1.00 15.50 H new ATOM 0 HG12 ILE A 23 -18.439 8.573 -42.867 1.00 17.22 H new ATOM 0 HG13 ILE A 23 -17.311 8.448 -43.937 1.00 17.22 H new ATOM 0 HG21 ILE A 23 -19.256 6.716 -41.652 1.00 15.55 H new ATOM 0 HG22 ILE A 23 -18.377 5.399 -41.645 1.00 15.55 H new ATOM 0 HG23 ILE A 23 -17.724 6.789 -41.259 1.00 15.55 H new ATOM 0 HD11 ILE A 23 -19.251 9.334 -44.950 1.00 13.88 H new ATOM 0 HD12 ILE A 23 -18.931 7.928 -45.603 1.00 13.88 H new ATOM 0 HD13 ILE A 23 -20.077 8.054 -44.517 1.00 13.88 H new ATOM 179 N LYS A 24 -15.568 4.278 -42.396 1.00 15.15 N ATOM 180 CA LYS A 24 -15.263 2.901 -41.928 1.00 17.13 C ATOM 181 C LYS A 24 -16.079 2.729 -40.648 1.00 22.18 C ATOM 182 O LYS A 24 -15.938 3.544 -39.716 1.00 19.01 O ATOM 183 CB LYS A 24 -13.774 2.629 -41.756 1.00 17.81 C ATOM 184 CG LYS A 24 -13.367 1.192 -41.441 1.00 71.07 C ATOM 185 CD LYS A 24 -13.894 0.127 -42.374 1.00 62.35 C ATOM 186 CE LYS A 24 -13.819 -1.281 -41.827 1.00 54.23 C ATOM 187 NZ LYS A 24 -14.491 -1.393 -40.502 1.00 41.03 N ATOM 0 H LYS A 24 -15.153 4.892 -41.960 1.00 15.15 H new ATOM 0 HA LYS A 24 -15.511 2.238 -42.591 1.00 17.13 H new ATOM 0 HB2 LYS A 24 -13.322 2.899 -42.570 1.00 17.81 H new ATOM 0 HB3 LYS A 24 -13.443 3.199 -41.045 1.00 17.81 H new ATOM 0 HG2 LYS A 24 -12.398 1.143 -41.440 1.00 71.07 H new ATOM 0 HG3 LYS A 24 -13.663 0.982 -40.541 1.00 71.07 H new ATOM 0 HD2 LYS A 24 -14.818 0.330 -42.588 1.00 62.35 H new ATOM 0 HD3 LYS A 24 -13.395 0.166 -43.205 1.00 62.35 H new ATOM 0 HE2 LYS A 24 -14.234 -1.894 -42.454 1.00 54.23 H new ATOM 0 HE3 LYS A 24 -12.890 -1.547 -41.743 1.00 54.23 H new ATOM 0 HZ1 LYS A 24 -14.676 -2.247 -40.334 1.00 41.03 H new ATOM 0 HZ2 LYS A 24 -13.953 -1.076 -39.868 1.00 41.03 H new ATOM 0 HZ3 LYS A 24 -15.247 -0.923 -40.511 1.00 41.03 H new ATOM 188 N ALA A 25 -16.932 1.717 -40.626 1.00 18.67 N ATOM 189 CA ALA A 25 -17.793 1.495 -39.451 1.00 13.91 C ATOM 190 C ALA A 25 -17.914 0.008 -39.193 1.00 14.85 C ATOM 191 O ALA A 25 -17.473 -0.810 -40.004 1.00 16.86 O ATOM 192 CB ALA A 25 -19.130 2.188 -39.726 1.00 15.44 C ATOM 0 H ALA A 25 -17.035 1.150 -41.265 1.00 18.67 H new ATOM 0 HA ALA A 25 -17.422 1.876 -38.640 1.00 13.91 H new ATOM 0 HB1 ALA A 25 -19.723 2.061 -38.969 1.00 15.44 H new ATOM 0 HB2 ALA A 25 -18.981 3.137 -39.863 1.00 15.44 H new ATOM 0 HB3 ALA A 25 -19.535 1.807 -40.521 1.00 15.44 H new ATOM 193 N ASN A 26 -18.508 -0.300 -38.056 1.00 16.16 N ATOM 194 CA ASN A 26 -18.765 -1.683 -37.601 1.00 21.76 C ATOM 195 C ASN A 26 -20.254 -1.777 -37.287 1.00 15.74 C ATOM 196 O ASN A 26 -20.839 -0.724 -36.999 1.00 14.47 O ATOM 197 CB ASN A 26 -17.860 -2.059 -36.416 1.00 29.26 C ATOM 198 CG ASN A 26 -16.672 -2.859 -36.930 1.00 42.55 C ATOM 199 OD1 ASN A 26 -16.903 -4.117 -37.298 1.00 45.83 O flip ATOM 200 ND2 ASN A 26 -15.551 -2.370 -37.031 1.00 66.08 N flip ATOM 0 H ASN A 26 -18.786 0.296 -37.502 1.00 16.16 H new ATOM 0 HA ASN A 26 -18.545 -2.330 -38.289 1.00 21.76 H new ATOM 0 HB2 ASN A 26 -17.553 -1.258 -35.962 1.00 29.26 H new ATOM 0 HB3 ASN A 26 -18.358 -2.580 -35.767 1.00 29.26 H new ATOM 0 HD21 ASN A 26 -15.414 -1.556 -36.790 1.00 66.08 H new ATOM 0 HD22 ASN A 26 -14.903 -2.841 -37.343 1.00 66.08 H new ATOM 201 N PRO A 27 -20.788 -2.992 -37.328 1.00 16.29 N ATOM 202 CA PRO A 27 -22.213 -3.190 -37.011 1.00 15.73 C ATOM 203 C PRO A 27 -22.515 -2.555 -35.664 1.00 15.94 C ATOM 204 O PRO A 27 -21.787 -2.786 -34.677 1.00 17.89 O ATOM 205 CB PRO A 27 -22.391 -4.708 -37.043 1.00 14.20 C ATOM 206 CG PRO A 27 -21.296 -5.187 -37.963 1.00 19.13 C ATOM 207 CD PRO A 27 -20.119 -4.253 -37.644 1.00 16.50 C ATOM 0 HA PRO A 27 -22.833 -2.771 -37.629 1.00 15.73 H new ATOM 0 HB2 PRO A 27 -22.305 -5.094 -36.157 1.00 14.20 H new ATOM 0 HB3 PRO A 27 -23.268 -4.956 -37.376 1.00 14.20 H new ATOM 0 HG2 PRO A 27 -21.070 -6.115 -37.795 1.00 19.13 H new ATOM 0 HG3 PRO A 27 -21.560 -5.123 -38.894 1.00 19.13 H new ATOM 0 HD2 PRO A 27 -19.592 -4.579 -36.897 1.00 16.50 H new ATOM 0 HD3 PRO A 27 -19.516 -4.162 -38.398 1.00 16.50 H new ATOM 208 N GLY A 28 -23.569 -1.764 -35.624 1.00 14.07 N ATOM 209 CA GLY A 28 -23.978 -1.088 -34.395 1.00 13.60 C ATOM 210 C GLY A 28 -23.508 0.359 -34.353 1.00 18.61 C ATOM 211 O GLY A 28 -24.035 1.076 -33.483 1.00 20.71 O ATOM 0 H GLY A 28 -24.071 -1.600 -36.303 1.00 14.07 H new ATOM 0 HA2 GLY A 28 -24.945 -1.115 -34.319 1.00 13.60 H new ATOM 0 HA3 GLY A 28 -23.620 -1.565 -33.630 1.00 13.60 H new ATOM 212 N ASP A 29 -22.614 0.774 -35.220 1.00 16.53 N ATOM 213 CA ASP A 29 -22.150 2.185 -35.207 1.00 14.21 C ATOM 214 C ASP A 29 -23.188 3.120 -35.803 1.00 14.43 C ATOM 215 O ASP A 29 -24.057 2.684 -36.553 1.00 15.17 O ATOM 216 CB ASP A 29 -20.858 2.326 -36.001 1.00 15.05 C ATOM 217 CG ASP A 29 -19.622 1.802 -35.295 1.00 21.06 C ATOM 218 OD1 ASP A 29 -19.669 1.529 -34.076 1.00 19.76 O ATOM 219 OD2 ASP A 29 -18.614 1.666 -36.001 1.00 19.85 O ATOM 0 H ASP A 29 -22.255 0.279 -35.825 1.00 16.53 H new ATOM 0 HA ASP A 29 -22.002 2.428 -34.280 1.00 14.21 H new ATOM 0 HB2 ASP A 29 -20.958 1.857 -36.844 1.00 15.05 H new ATOM 0 HB3 ASP A 29 -20.723 3.263 -36.212 1.00 15.05 H new ATOM 220 N THR A 30 -23.053 4.405 -35.490 1.00 14.23 N ATOM 221 CA THR A 30 -23.973 5.384 -36.069 1.00 11.44 C ATOM 222 C THR A 30 -23.098 6.333 -36.901 1.00 17.11 C ATOM 223 O THR A 30 -21.911 6.539 -36.628 1.00 11.97 O ATOM 224 CB THR A 30 -24.863 6.183 -35.065 1.00 13.58 C ATOM 225 OG1 THR A 30 -23.876 6.802 -34.199 1.00 16.60 O ATOM 226 CG2 THR A 30 -25.833 5.325 -34.262 1.00 14.92 C ATOM 0 H THR A 30 -22.455 4.726 -34.961 1.00 14.23 H new ATOM 0 HA THR A 30 -24.633 4.901 -36.591 1.00 11.44 H new ATOM 0 HB THR A 30 -25.450 6.803 -35.525 1.00 13.58 H new ATOM 0 HG1 THR A 30 -23.669 7.557 -34.504 1.00 16.60 H new ATOM 0 HG21 THR A 30 -26.347 5.890 -33.665 1.00 14.92 H new ATOM 0 HG22 THR A 30 -26.434 4.864 -34.867 1.00 14.92 H new ATOM 0 HG23 THR A 30 -25.336 4.674 -33.742 1.00 14.92 H new ATOM 227 N VAL A 31 -23.720 6.825 -37.938 1.00 12.06 N ATOM 228 CA VAL A 31 -23.140 7.799 -38.866 1.00 10.09 C ATOM 229 C VAL A 31 -24.146 8.972 -38.783 1.00 19.97 C ATOM 230 O VAL A 31 -25.344 8.804 -39.090 1.00 15.73 O ATOM 231 CB VAL A 31 -22.855 7.282 -40.269 1.00 14.39 C ATOM 232 CG1 VAL A 31 -22.174 8.391 -41.098 1.00 12.41 C ATOM 233 CG2 VAL A 31 -22.025 6.011 -40.320 1.00 15.34 C ATOM 0 H VAL A 31 -24.525 6.602 -38.143 1.00 12.06 H new ATOM 0 HA VAL A 31 -22.238 8.058 -38.620 1.00 10.09 H new ATOM 0 HB VAL A 31 -23.716 7.044 -40.646 1.00 14.39 H new ATOM 0 HG11 VAL A 31 -21.992 8.062 -41.992 1.00 12.41 H new ATOM 0 HG12 VAL A 31 -22.760 9.162 -41.151 1.00 12.41 H new ATOM 0 HG13 VAL A 31 -21.341 8.648 -40.673 1.00 12.41 H new ATOM 0 HG21 VAL A 31 -21.889 5.750 -41.244 1.00 15.34 H new ATOM 0 HG22 VAL A 31 -21.165 6.169 -39.899 1.00 15.34 H new ATOM 0 HG23 VAL A 31 -22.490 5.302 -39.849 1.00 15.34 H new ATOM 234 N THR A 32 -23.634 10.111 -38.346 1.00 13.53 N ATOM 235 CA THR A 32 -24.425 11.343 -38.214 1.00 12.75 C ATOM 236 C THR A 32 -24.110 12.285 -39.383 1.00 16.16 C ATOM 237 O THR A 32 -22.947 12.697 -39.507 1.00 14.19 O ATOM 238 CB THR A 32 -24.198 12.082 -36.842 1.00 17.88 C ATOM 239 OG1 THR A 32 -24.494 11.107 -35.802 1.00 17.60 O ATOM 240 CG2 THR A 32 -25.028 13.371 -36.764 1.00 19.63 C ATOM 0 H THR A 32 -22.811 10.200 -38.113 1.00 13.53 H new ATOM 0 HA THR A 32 -25.360 11.085 -38.234 1.00 12.75 H new ATOM 0 HB THR A 32 -23.285 12.390 -36.733 1.00 17.88 H new ATOM 0 HG1 THR A 32 -23.794 10.687 -35.604 1.00 17.60 H new ATOM 0 HG21 THR A 32 -24.871 13.806 -35.912 1.00 19.63 H new ATOM 0 HG22 THR A 32 -24.768 13.967 -37.484 1.00 19.63 H new ATOM 0 HG23 THR A 32 -25.970 13.155 -36.847 1.00 19.63 H new ATOM 241 N PHE A 33 -25.097 12.589 -40.190 1.00 17.50 N ATOM 242 CA PHE A 33 -24.979 13.469 -41.379 1.00 14.86 C ATOM 243 C PHE A 33 -25.461 14.872 -41.018 1.00 20.43 C ATOM 244 O PHE A 33 -26.648 15.009 -40.690 1.00 16.90 O ATOM 245 CB PHE A 33 -25.727 12.884 -42.589 1.00 17.06 C ATOM 246 CG PHE A 33 -25.138 11.623 -43.160 1.00 15.50 C ATOM 247 CD1 PHE A 33 -24.135 11.681 -44.127 1.00 19.58 C ATOM 248 CD2 PHE A 33 -25.605 10.357 -42.731 1.00 18.33 C ATOM 249 CE1 PHE A 33 -23.577 10.522 -44.669 1.00 12.04 C ATOM 250 CE2 PHE A 33 -25.089 9.179 -43.235 1.00 14.27 C ATOM 251 CZ PHE A 33 -24.074 9.284 -44.208 1.00 15.31 C ATOM 0 H PHE A 33 -25.894 12.288 -40.075 1.00 17.50 H new ATOM 0 HA PHE A 33 -24.048 13.526 -41.644 1.00 14.86 H new ATOM 0 HB2 PHE A 33 -26.644 12.706 -42.328 1.00 17.06 H new ATOM 0 HB3 PHE A 33 -25.756 13.556 -43.288 1.00 17.06 H new ATOM 0 HD1 PHE A 33 -23.831 12.511 -44.417 1.00 19.58 H new ATOM 0 HD2 PHE A 33 -26.279 10.317 -42.091 1.00 18.33 H new ATOM 0 HE1 PHE A 33 -22.904 10.564 -45.309 1.00 12.04 H new ATOM 0 HE2 PHE A 33 -25.398 8.351 -42.945 1.00 14.27 H new ATOM 0 HZ PHE A 33 -23.716 8.502 -44.562 1.00 15.31 H new ATOM 252 N ILE A 34 -24.577 15.875 -41.081 1.00 19.17 N ATOM 253 CA ILE A 34 -24.918 17.262 -40.746 1.00 14.85 C ATOM 254 C ILE A 34 -24.847 18.171 -41.963 1.00 15.47 C ATOM 255 O ILE A 34 -23.729 18.375 -42.464 1.00 18.75 O ATOM 256 CB ILE A 34 -23.885 17.754 -39.668 1.00 17.60 C ATOM 257 CG1 ILE A 34 -23.984 16.879 -38.397 1.00 17.17 C ATOM 258 CG2 ILE A 34 -24.064 19.265 -39.364 1.00 21.07 C ATOM 259 CD1 ILE A 34 -22.729 17.057 -37.486 1.00 26.62 C ATOM 0 H ILE A 34 -23.758 15.768 -41.321 1.00 19.17 H new ATOM 0 HA ILE A 34 -25.828 17.296 -40.413 1.00 14.85 H new ATOM 0 HB ILE A 34 -22.988 17.652 -40.024 1.00 17.60 H new ATOM 0 HG12 ILE A 34 -24.783 17.116 -37.900 1.00 17.17 H new ATOM 0 HG13 ILE A 34 -24.073 15.947 -38.650 1.00 17.17 H new ATOM 0 HG21 ILE A 34 -23.415 19.540 -38.697 1.00 21.07 H new ATOM 0 HG22 ILE A 34 -23.929 19.777 -40.177 1.00 21.07 H new ATOM 0 HG23 ILE A 34 -24.960 19.424 -39.028 1.00 21.07 H new ATOM 0 HD11 ILE A 34 -22.819 16.498 -36.699 1.00 26.62 H new ATOM 0 HD12 ILE A 34 -21.933 16.798 -37.977 1.00 26.62 H new ATOM 0 HD13 ILE A 34 -22.654 17.986 -37.216 1.00 26.62 H new ATOM 260 N PRO A 35 -25.972 18.684 -42.387 1.00 21.22 N ATOM 261 CA PRO A 35 -26.011 19.582 -43.553 1.00 17.48 C ATOM 262 C PRO A 35 -25.539 20.943 -43.094 1.00 35.01 C ATOM 263 O PRO A 35 -26.344 21.777 -42.672 1.00 28.62 O ATOM 264 CB PRO A 35 -27.460 19.528 -43.998 1.00 29.72 C ATOM 265 CG PRO A 35 -28.150 19.463 -42.654 1.00 51.57 C ATOM 266 CD PRO A 35 -27.309 18.482 -41.836 1.00 30.24 C ATOM 0 HA PRO A 35 -25.438 19.345 -44.299 1.00 17.48 H new ATOM 0 HB2 PRO A 35 -27.719 20.310 -44.510 1.00 29.72 H new ATOM 0 HB3 PRO A 35 -27.649 18.753 -44.549 1.00 29.72 H new ATOM 0 HG2 PRO A 35 -28.184 20.336 -42.232 1.00 51.57 H new ATOM 0 HG3 PRO A 35 -29.066 19.155 -42.742 1.00 51.57 H new ATOM 0 HD2 PRO A 35 -27.343 18.680 -40.887 1.00 30.24 H new ATOM 0 HD3 PRO A 35 -27.611 17.567 -41.946 1.00 30.24 H new ATOM 267 N VAL A 36 -24.240 21.128 -43.170 1.00 27.77 N ATOM 268 CA VAL A 36 -23.553 22.374 -42.784 1.00 30.84 C ATOM 269 C VAL A 36 -23.996 23.523 -43.683 1.00 30.40 C ATOM 270 O VAL A 36 -24.138 24.658 -43.217 1.00 27.53 O ATOM 271 CB VAL A 36 -22.049 22.074 -42.755 1.00 20.92 C ATOM 272 CG1 VAL A 36 -21.200 23.293 -43.013 1.00 28.53 C ATOM 273 CG2 VAL A 36 -21.684 21.422 -41.427 1.00 25.52 C ATOM 0 H VAL A 36 -23.702 20.521 -43.455 1.00 27.77 H new ATOM 0 HA VAL A 36 -23.792 22.681 -41.895 1.00 30.84 H new ATOM 0 HB VAL A 36 -21.859 21.460 -43.481 1.00 20.92 H new ATOM 0 HG11 VAL A 36 -20.262 23.047 -42.983 1.00 28.53 H new ATOM 0 HG12 VAL A 36 -21.411 23.655 -43.888 1.00 28.53 H new ATOM 0 HG13 VAL A 36 -21.380 23.962 -42.334 1.00 28.53 H new ATOM 0 HG21 VAL A 36 -20.733 21.233 -41.410 1.00 25.52 H new ATOM 0 HG22 VAL A 36 -21.907 22.023 -40.699 1.00 25.52 H new ATOM 0 HG23 VAL A 36 -22.180 20.594 -41.326 1.00 25.52 H new ATOM 274 N ASP A 37 -24.214 23.206 -44.934 1.00 25.29 N ATOM 275 CA ASP A 37 -24.704 24.102 -45.983 1.00 20.40 C ATOM 276 C ASP A 37 -26.123 23.607 -46.238 1.00 19.09 C ATOM 277 O ASP A 37 -26.298 22.387 -46.006 1.00 20.52 O ATOM 278 CB ASP A 37 -23.898 24.112 -47.285 1.00 19.39 C ATOM 279 CG ASP A 37 -22.537 24.745 -47.077 1.00 20.02 C ATOM 280 OD1 ASP A 37 -22.561 25.701 -46.265 1.00 31.53 O ATOM 281 OD2 ASP A 37 -21.481 24.382 -47.605 1.00 21.25 O ATOM 0 H ASP A 37 -24.074 22.410 -45.227 1.00 25.29 H new ATOM 0 HA ASP A 37 -24.635 25.023 -45.685 1.00 20.40 H new ATOM 0 HB2 ASP A 37 -23.790 23.204 -47.609 1.00 19.39 H new ATOM 0 HB3 ASP A 37 -24.385 24.601 -47.967 1.00 19.39 H new ATOM 282 N LYS A 38 -27.038 24.436 -46.693 1.00 21.68 N ATOM 283 CA LYS A 38 -28.403 23.967 -46.958 1.00 20.57 C ATOM 284 C LYS A 38 -28.499 23.421 -48.385 1.00 19.55 C ATOM 285 O LYS A 38 -27.675 23.734 -49.250 1.00 24.62 O ATOM 286 CB LYS A 38 -29.479 25.048 -46.818 1.00 33.00 C ATOM 287 CG LYS A 38 -29.304 25.811 -45.490 1.00 46.86 C ATOM 288 CD LYS A 38 -28.215 26.859 -45.739 1.00101.55 C ATOM 289 CE LYS A 38 -27.225 27.071 -44.617 1.00108.15 C ATOM 290 NZ LYS A 38 -26.215 28.122 -44.957 1.00106.54 N ATOM 0 H LYS A 38 -26.902 25.269 -46.857 1.00 21.68 H new ATOM 0 HA LYS A 38 -28.571 23.287 -46.287 1.00 20.57 H new ATOM 0 HB2 LYS A 38 -29.423 25.667 -47.563 1.00 33.00 H new ATOM 0 HB3 LYS A 38 -30.360 24.642 -46.851 1.00 33.00 H new ATOM 0 HG2 LYS A 38 -30.135 26.232 -45.221 1.00 46.86 H new ATOM 0 HG3 LYS A 38 -29.047 25.208 -44.775 1.00 46.86 H new ATOM 0 HD2 LYS A 38 -27.723 26.605 -46.536 1.00101.55 H new ATOM 0 HD3 LYS A 38 -28.646 27.707 -45.930 1.00101.55 H new ATOM 0 HE2 LYS A 38 -27.700 27.328 -43.811 1.00108.15 H new ATOM 0 HE3 LYS A 38 -26.770 26.236 -44.425 1.00108.15 H new ATOM 0 HZ1 LYS A 38 -25.649 28.221 -44.277 1.00106.54 H new ATOM 0 HZ2 LYS A 38 -25.764 27.877 -45.684 1.00106.54 H new ATOM 0 HZ3 LYS A 38 -26.630 28.894 -45.112 1.00106.54 H new ATOM 291 N GLY A 39 -29.546 22.640 -48.565 1.00 16.24 N ATOM 292 CA GLY A 39 -29.838 22.061 -49.872 1.00 23.57 C ATOM 293 C GLY A 39 -29.385 20.621 -50.041 1.00 23.91 C ATOM 294 O GLY A 39 -29.490 20.143 -51.174 1.00 21.09 O ATOM 0 H GLY A 39 -30.104 22.429 -47.946 1.00 16.24 H new ATOM 0 HA2 GLY A 39 -30.794 22.107 -50.027 1.00 23.57 H new ATOM 0 HA3 GLY A 39 -29.414 22.603 -50.555 1.00 23.57 H new ATOM 295 N HIS A 40 -28.938 19.999 -48.971 1.00 22.52 N ATOM 296 CA HIS A 40 -28.436 18.612 -48.991 1.00 17.16 C ATOM 297 C HIS A 40 -29.205 17.618 -48.137 1.00 18.85 C ATOM 298 O HIS A 40 -29.829 18.001 -47.138 1.00 20.74 O ATOM 299 CB HIS A 40 -26.979 18.633 -48.439 1.00 14.15 C ATOM 300 CG HIS A 40 -26.092 19.618 -49.143 1.00 15.47 C ATOM 301 ND1 HIS A 40 -25.713 19.526 -50.455 1.00 18.86 N ATOM 302 CD2 HIS A 40 -25.484 20.723 -48.672 1.00 16.10 C ATOM 303 CE1 HIS A 40 -24.914 20.540 -50.765 1.00 14.62 C ATOM 304 NE2 HIS A 40 -24.764 21.275 -49.703 1.00 15.26 N ATOM 0 H HIS A 40 -28.911 20.364 -48.193 1.00 22.52 H new ATOM 0 HA HIS A 40 -28.524 18.316 -49.911 1.00 17.16 H new ATOM 0 HB2 HIS A 40 -27.001 18.846 -47.493 1.00 14.15 H new ATOM 0 HB3 HIS A 40 -26.596 17.746 -48.521 1.00 14.15 H new ATOM 0 HD2 HIS A 40 -25.541 21.053 -47.804 1.00 16.10 H new ATOM 0 HE1 HIS A 40 -24.529 20.697 -51.597 1.00 14.62 H new ATOM 0 HE2 HIS A 40 -24.290 21.991 -49.654 1.00 15.26 H new ATOM 305 N ASN A 41 -29.156 16.337 -48.484 1.00 17.71 N ATOM 306 CA ASN A 41 -29.775 15.210 -47.762 1.00 18.29 C ATOM 307 C ASN A 41 -28.820 13.998 -47.980 1.00 11.96 C ATOM 308 O ASN A 41 -27.717 14.114 -48.544 1.00 15.93 O ATOM 309 CB ASN A 41 -31.221 14.944 -48.146 1.00 11.99 C ATOM 310 CG ASN A 41 -31.471 14.147 -49.422 1.00 13.00 C ATOM 311 OD1 ASN A 41 -30.694 14.348 -50.385 1.00 17.47 O ATOM 312 ND2 ASN A 41 -32.483 13.298 -49.461 1.00 20.91 N ATOM 0 H ASN A 41 -28.737 16.079 -49.189 1.00 17.71 H new ATOM 0 HA ASN A 41 -29.862 15.412 -46.817 1.00 18.29 H new ATOM 0 HB2 ASN A 41 -31.645 14.474 -47.411 1.00 11.99 H new ATOM 0 HB3 ASN A 41 -31.670 15.799 -48.233 1.00 11.99 H new ATOM 0 HD21 ASN A 41 -32.638 12.846 -50.176 1.00 20.91 H new ATOM 0 HD22 ASN A 41 -32.987 13.197 -48.771 1.00 20.91 H new ATOM 313 N VAL A 42 -29.286 12.853 -47.550 1.00 12.38 N ATOM 314 CA VAL A 42 -28.540 11.580 -47.720 1.00 15.66 C ATOM 315 C VAL A 42 -29.576 10.523 -48.089 1.00 15.75 C ATOM 316 O VAL A 42 -30.671 10.462 -47.498 1.00 19.16 O ATOM 317 CB VAL A 42 -27.663 11.218 -46.514 1.00 19.80 C ATOM 318 CG1 VAL A 42 -28.460 10.945 -45.256 1.00 21.46 C ATOM 319 CG2 VAL A 42 -26.786 10.023 -46.880 1.00 22.16 C ATOM 0 H VAL A 42 -30.041 12.767 -47.148 1.00 12.38 H new ATOM 0 HA VAL A 42 -27.883 11.657 -48.429 1.00 15.66 H new ATOM 0 HB VAL A 42 -27.109 11.987 -46.308 1.00 19.80 H new ATOM 0 HG11 VAL A 42 -27.855 10.723 -44.531 1.00 21.46 H new ATOM 0 HG12 VAL A 42 -28.971 11.734 -45.019 1.00 21.46 H new ATOM 0 HG13 VAL A 42 -29.065 10.203 -45.411 1.00 21.46 H new ATOM 0 HG21 VAL A 42 -26.228 9.787 -46.123 1.00 22.16 H new ATOM 0 HG22 VAL A 42 -27.348 9.268 -47.114 1.00 22.16 H new ATOM 0 HG23 VAL A 42 -26.224 10.253 -47.636 1.00 22.16 H new ATOM 320 N GLU A 43 -29.258 9.695 -49.055 1.00 13.67 N ATOM 321 CA GLU A 43 -30.149 8.652 -49.535 1.00 13.04 C ATOM 322 C GLU A 43 -29.354 7.465 -50.041 1.00 14.20 C ATOM 323 O GLU A 43 -28.358 7.705 -50.737 1.00 13.83 O ATOM 324 CB GLU A 43 -30.973 9.180 -50.721 1.00 19.21 C ATOM 325 CG GLU A 43 -32.120 8.305 -51.147 1.00 25.10 C ATOM 326 CD GLU A 43 -32.879 8.596 -52.395 1.00 29.20 C ATOM 327 OE1 GLU A 43 -32.744 9.732 -52.892 1.00 23.23 O ATOM 328 OE2 GLU A 43 -33.598 7.749 -52.881 1.00 36.79 O ATOM 0 H GLU A 43 -28.502 9.718 -49.464 1.00 13.67 H new ATOM 0 HA GLU A 43 -30.721 8.388 -48.798 1.00 13.04 H new ATOM 0 HB2 GLU A 43 -31.322 10.055 -50.489 1.00 19.21 H new ATOM 0 HB3 GLU A 43 -30.380 9.302 -51.479 1.00 19.21 H new ATOM 0 HG2 GLU A 43 -31.775 7.402 -51.227 1.00 25.10 H new ATOM 0 HG3 GLU A 43 -32.761 8.300 -50.419 1.00 25.10 H new ATOM 329 N SER A 44 -29.820 6.267 -49.676 1.00 13.57 N ATOM 330 CA SER A 44 -29.118 5.052 -50.142 1.00 12.90 C ATOM 331 C SER A 44 -29.419 4.887 -51.642 1.00 18.22 C ATOM 332 O SER A 44 -30.528 5.187 -52.099 1.00 18.92 O ATOM 333 CB SER A 44 -29.505 3.794 -49.386 1.00 16.91 C ATOM 334 OG SER A 44 -30.904 3.597 -49.494 1.00 16.56 O ATOM 0 H SER A 44 -30.510 6.132 -49.181 1.00 13.57 H new ATOM 0 HA SER A 44 -28.169 5.169 -49.976 1.00 12.90 H new ATOM 0 HB2 SER A 44 -29.031 3.028 -49.746 1.00 16.91 H new ATOM 0 HB3 SER A 44 -29.250 3.873 -48.454 1.00 16.91 H new ATOM 0 HG SER A 44 -31.184 3.958 -50.199 1.00 16.56 H new ATOM 335 N ILE A 45 -28.394 4.462 -52.370 1.00 17.50 N ATOM 336 CA ILE A 45 -28.534 4.225 -53.811 1.00 20.01 C ATOM 337 C ILE A 45 -29.033 2.789 -53.984 1.00 27.35 C ATOM 338 O ILE A 45 -28.506 1.843 -53.376 1.00 18.95 O ATOM 339 CB ILE A 45 -27.231 4.447 -54.617 1.00 14.88 C ATOM 340 CG1 ILE A 45 -26.804 5.929 -54.469 1.00 19.01 C ATOM 341 CG2 ILE A 45 -27.389 4.069 -56.116 1.00 17.10 C ATOM 342 CD1 ILE A 45 -25.364 6.265 -54.926 1.00 12.97 C ATOM 0 H ILE A 45 -27.610 4.304 -52.055 1.00 17.50 H new ATOM 0 HA ILE A 45 -29.160 4.874 -54.168 1.00 20.01 H new ATOM 0 HB ILE A 45 -26.545 3.862 -54.259 1.00 14.88 H new ATOM 0 HG12 ILE A 45 -27.422 6.478 -54.976 1.00 19.01 H new ATOM 0 HG13 ILE A 45 -26.897 6.183 -53.538 1.00 19.01 H new ATOM 0 HG21 ILE A 45 -26.551 4.224 -56.579 1.00 17.10 H new ATOM 0 HG22 ILE A 45 -27.630 3.132 -56.190 1.00 17.10 H new ATOM 0 HG23 ILE A 45 -28.084 4.614 -56.516 1.00 17.10 H new ATOM 0 HD11 ILE A 45 -25.195 7.211 -54.794 1.00 12.97 H new ATOM 0 HD12 ILE A 45 -24.730 5.748 -54.405 1.00 12.97 H new ATOM 0 HD13 ILE A 45 -25.263 6.047 -55.866 1.00 12.97 H new ATOM 343 N LYS A 46 -30.038 2.642 -54.820 1.00 24.86 N ATOM 344 CA LYS A 46 -30.640 1.337 -55.126 1.00 19.29 C ATOM 345 C LYS A 46 -29.572 0.400 -55.706 1.00 15.13 C ATOM 346 O LYS A 46 -28.777 0.716 -56.617 1.00 17.28 O ATOM 347 CB LYS A 46 -31.764 1.488 -56.137 1.00 31.52 C ATOM 348 CG LYS A 46 -33.014 0.650 -55.914 1.00102.43 C ATOM 349 CD LYS A 46 -34.069 0.916 -56.982 1.00105.27 C ATOM 350 CE LYS A 46 -33.616 0.466 -58.359 1.00107.12 C ATOM 351 NZ LYS A 46 -33.507 -1.019 -58.425 1.00 86.29 N ATOM 0 H LYS A 46 -30.404 3.299 -55.238 1.00 24.86 H new ATOM 0 HA LYS A 46 -31.000 0.966 -54.305 1.00 19.29 H new ATOM 0 HB2 LYS A 46 -32.027 2.421 -56.157 1.00 31.52 H new ATOM 0 HB3 LYS A 46 -31.410 1.274 -57.014 1.00 31.52 H new ATOM 0 HG2 LYS A 46 -32.778 -0.291 -55.919 1.00102.43 H new ATOM 0 HG3 LYS A 46 -33.383 0.845 -55.038 1.00102.43 H new ATOM 0 HD2 LYS A 46 -34.889 0.455 -56.746 1.00105.27 H new ATOM 0 HD3 LYS A 46 -34.273 1.864 -57.004 1.00105.27 H new ATOM 0 HE2 LYS A 46 -34.245 0.778 -59.028 1.00107.12 H new ATOM 0 HE3 LYS A 46 -32.758 0.867 -58.568 1.00107.12 H new ATOM 0 HZ1 LYS A 46 -33.771 -1.301 -59.227 1.00 86.29 H new ATOM 0 HZ2 LYS A 46 -32.661 -1.261 -58.290 1.00 86.29 H new ATOM 0 HZ3 LYS A 46 -34.023 -1.383 -57.798 1.00 86.29 H new ATOM 352 N ASP A 47 -29.582 -0.766 -55.088 1.00 19.86 N ATOM 353 CA ASP A 47 -28.692 -1.883 -55.414 1.00 25.53 C ATOM 354 C ASP A 47 -27.244 -1.597 -55.030 1.00 24.97 C ATOM 355 O ASP A 47 -26.397 -2.431 -55.400 1.00 22.35 O ATOM 356 CB ASP A 47 -28.905 -2.315 -56.868 1.00 28.32 C ATOM 357 CG ASP A 47 -30.229 -3.064 -57.039 1.00101.97 C ATOM 358 OD1 ASP A 47 -30.613 -3.871 -56.150 1.00 54.94 O ATOM 359 OD2 ASP A 47 -30.921 -2.863 -58.060 1.00 71.73 O ATOM 0 H ASP A 47 -30.123 -0.943 -54.443 1.00 19.86 H new ATOM 0 HA ASP A 47 -28.925 -2.650 -54.868 1.00 25.53 H new ATOM 0 HB2 ASP A 47 -28.896 -1.534 -57.444 1.00 28.32 H new ATOM 0 HB3 ASP A 47 -28.171 -2.883 -57.149 1.00 28.32 H new ATOM 360 N MET A 48 -27.005 -0.524 -54.299 1.00 13.82 N ATOM 361 CA MET A 48 -25.645 -0.197 -53.850 1.00 10.89 C ATOM 362 C MET A 48 -25.573 -0.253 -52.329 1.00 17.91 C ATOM 363 O MET A 48 -24.730 0.429 -51.763 1.00 16.57 O ATOM 364 CB MET A 48 -25.086 1.088 -54.466 1.00 11.25 C ATOM 365 CG MET A 48 -25.134 0.995 -55.976 1.00 17.88 C ATOM 366 SD MET A 48 -24.170 2.268 -56.814 1.00 23.33 S ATOM 367 CE MET A 48 -25.011 2.403 -58.395 1.00 25.62 C ATOM 0 H MET A 48 -27.609 0.034 -54.047 1.00 13.82 H new ATOM 0 HA MET A 48 -25.043 -0.877 -54.190 1.00 10.89 H new ATOM 0 HB2 MET A 48 -25.601 1.852 -54.164 1.00 11.25 H new ATOM 0 HB3 MET A 48 -24.173 1.227 -54.171 1.00 11.25 H new ATOM 0 HG2 MET A 48 -24.809 0.123 -56.249 1.00 17.88 H new ATOM 0 HG3 MET A 48 -26.057 1.057 -56.266 1.00 17.88 H new ATOM 0 HE1 MET A 48 -24.379 2.239 -59.113 1.00 25.62 H new ATOM 0 HE2 MET A 48 -25.726 1.749 -58.438 1.00 25.62 H new ATOM 0 HE3 MET A 48 -25.382 3.294 -58.489 1.00 25.62 H new ATOM 368 N ILE A 49 -26.371 -1.054 -51.650 1.00 17.17 N ATOM 369 CA ILE A 49 -26.345 -1.272 -50.195 1.00 14.97 C ATOM 370 C ILE A 49 -26.382 -2.809 -50.063 1.00 19.85 C ATOM 371 O ILE A 49 -26.846 -3.499 -50.997 1.00 18.90 O ATOM 372 CB ILE A 49 -27.362 -0.458 -49.366 1.00 20.60 C ATOM 373 CG1 ILE A 49 -28.828 -0.886 -49.627 1.00 21.13 C ATOM 374 CG2 ILE A 49 -27.183 1.081 -49.594 1.00 16.35 C ATOM 375 CD1 ILE A 49 -29.755 -0.086 -48.655 1.00 21.92 C ATOM 0 H ILE A 49 -26.982 -1.518 -52.039 1.00 17.17 H new ATOM 0 HA ILE A 49 -25.549 -0.907 -49.778 1.00 14.97 H new ATOM 0 HB ILE A 49 -27.172 -0.654 -48.435 1.00 20.60 H new ATOM 0 HG12 ILE A 49 -29.072 -0.709 -50.549 1.00 21.13 H new ATOM 0 HG13 ILE A 49 -28.932 -1.840 -49.484 1.00 21.13 H new ATOM 0 HG21 ILE A 49 -27.834 1.565 -49.062 1.00 16.35 H new ATOM 0 HG22 ILE A 49 -26.288 1.346 -49.329 1.00 16.35 H new ATOM 0 HG23 ILE A 49 -27.316 1.287 -50.532 1.00 16.35 H new ATOM 0 HD11 ILE A 49 -30.679 -0.342 -48.805 1.00 21.92 H new ATOM 0 HD12 ILE A 49 -29.510 -0.284 -47.738 1.00 21.92 H new ATOM 0 HD13 ILE A 49 -29.653 0.865 -48.819 1.00 21.92 H new ATOM 376 N PRO A 50 -25.832 -3.289 -48.976 1.00 13.84 N ATOM 377 CA PRO A 50 -25.728 -4.726 -48.719 1.00 19.23 C ATOM 378 C PRO A 50 -27.074 -5.422 -48.793 1.00 31.86 C ATOM 379 O PRO A 50 -28.114 -4.788 -48.567 1.00 25.91 O ATOM 380 CB PRO A 50 -25.095 -4.877 -47.338 1.00 21.11 C ATOM 381 CG PRO A 50 -24.358 -3.604 -47.152 1.00 14.21 C ATOM 382 CD PRO A 50 -25.253 -2.573 -47.840 1.00 14.20 C ATOM 0 HA PRO A 50 -25.184 -5.151 -49.400 1.00 19.23 H new ATOM 0 HB2 PRO A 50 -25.766 -5.005 -46.650 1.00 21.11 H new ATOM 0 HB3 PRO A 50 -24.500 -5.642 -47.300 1.00 21.11 H new ATOM 0 HG2 PRO A 50 -24.232 -3.398 -46.213 1.00 14.21 H new ATOM 0 HG3 PRO A 50 -23.477 -3.639 -47.556 1.00 14.21 H new ATOM 0 HD2 PRO A 50 -25.942 -2.247 -47.240 1.00 14.20 H new ATOM 0 HD3 PRO A 50 -24.743 -1.801 -48.132 1.00 14.20 H new ATOM 383 N GLU A 51 -26.980 -6.709 -49.111 1.00 55.40 N ATOM 384 CA GLU A 51 -28.226 -7.520 -49.183 1.00 93.24 C ATOM 385 C GLU A 51 -28.648 -7.639 -47.714 1.00 89.18 C ATOM 386 O GLU A 51 -27.902 -7.976 -46.768 1.00 37.37 O ATOM 387 CB GLU A 51 -28.039 -8.795 -49.970 1.00108.15 C ATOM 388 CG GLU A 51 -28.140 -8.747 -51.500 1.00 66.80 C ATOM 389 CD GLU A 51 -29.369 -9.295 -52.167 1.00108.15 C ATOM 390 OE1 GLU A 51 -29.608 -10.478 -51.797 1.00 95.77 O ATOM 391 OE2 GLU A 51 -30.076 -8.717 -52.989 1.00 91.93 O ATOM 0 H GLU A 51 -26.249 -7.129 -49.284 1.00 55.40 H new ATOM 0 HA GLU A 51 -28.948 -7.123 -49.694 1.00 93.24 H new ATOM 0 HB2 GLU A 51 -27.166 -9.152 -49.745 1.00108.15 H new ATOM 0 HB3 GLU A 51 -28.697 -9.434 -49.653 1.00108.15 H new ATOM 0 HG2 GLU A 51 -28.049 -7.820 -51.770 1.00 66.80 H new ATOM 0 HG3 GLU A 51 -27.375 -9.223 -51.859 1.00 66.80 H new ATOM 392 N GLY A 52 -29.892 -7.227 -47.513 1.00 29.17 N ATOM 393 CA GLY A 52 -30.575 -7.205 -46.226 1.00 91.81 C ATOM 394 C GLY A 52 -30.616 -5.885 -45.477 1.00 51.23 C ATOM 395 O GLY A 52 -31.292 -5.828 -44.425 1.00 33.20 O ATOM 0 H GLY A 52 -30.386 -6.938 -48.155 1.00 29.17 H new ATOM 0 HA2 GLY A 52 -31.489 -7.498 -46.367 1.00 91.81 H new ATOM 0 HA3 GLY A 52 -30.152 -7.862 -45.651 1.00 91.81 H new ATOM 396 N ALA A 53 -29.922 -4.881 -45.991 1.00 23.96 N ATOM 397 CA ALA A 53 -29.881 -3.561 -45.364 1.00 20.87 C ATOM 398 C ALA A 53 -31.181 -2.858 -45.747 1.00 22.29 C ATOM 399 O ALA A 53 -31.729 -3.090 -46.813 1.00 28.94 O ATOM 400 CB ALA A 53 -28.728 -2.653 -45.816 1.00 19.08 C ATOM 0 H ALA A 53 -29.460 -4.942 -46.714 1.00 23.96 H new ATOM 0 HA ALA A 53 -29.755 -3.706 -44.413 1.00 20.87 H new ATOM 0 HB1 ALA A 53 -28.782 -1.804 -45.350 1.00 19.08 H new ATOM 0 HB2 ALA A 53 -27.881 -3.080 -45.613 1.00 19.08 H new ATOM 0 HB3 ALA A 53 -28.791 -2.501 -46.772 1.00 19.08 H new ATOM 401 N GLU A 54 -31.564 -1.960 -44.889 1.00 22.62 N ATOM 402 CA GLU A 54 -32.726 -1.089 -45.005 1.00 35.63 C ATOM 403 C GLU A 54 -32.407 0.112 -45.904 1.00 36.65 C ATOM 404 O GLU A 54 -31.331 0.710 -45.724 1.00 31.48 O ATOM 405 CB GLU A 54 -33.050 -0.504 -43.617 1.00 94.31 C ATOM 406 CG GLU A 54 -31.984 0.033 -42.691 1.00108.15 C ATOM 407 CD GLU A 54 -31.547 1.389 -42.272 1.00108.15 C ATOM 408 OE1 GLU A 54 -32.329 2.335 -42.547 1.00 93.78 O ATOM 409 OE2 GLU A 54 -30.496 1.639 -41.653 1.00 66.23 O ATOM 0 H GLU A 54 -31.127 -1.821 -44.161 1.00 22.62 H new ATOM 0 HA GLU A 54 -33.459 -1.610 -45.369 1.00 35.63 H new ATOM 0 HB2 GLU A 54 -33.681 0.218 -43.761 1.00 94.31 H new ATOM 0 HB3 GLU A 54 -33.519 -1.197 -43.127 1.00 94.31 H new ATOM 0 HG2 GLU A 54 -32.180 -0.407 -41.849 1.00108.15 H new ATOM 0 HG3 GLU A 54 -31.170 -0.365 -43.036 1.00108.15 H new ATOM 410 N LYS A 55 -33.274 0.458 -46.834 1.00 21.34 N ATOM 411 CA LYS A 55 -33.141 1.607 -47.723 1.00 20.85 C ATOM 412 C LYS A 55 -33.451 2.812 -46.824 1.00 22.91 C ATOM 413 O LYS A 55 -34.242 2.676 -45.876 1.00 28.41 O ATOM 414 CB LYS A 55 -34.048 1.658 -48.933 1.00 31.47 C ATOM 415 CG LYS A 55 -33.431 1.157 -50.244 1.00 93.27 C ATOM 416 CD LYS A 55 -34.372 1.404 -51.415 1.00108.15 C ATOM 417 CE LYS A 55 -33.852 0.935 -52.757 1.00108.15 C ATOM 418 NZ LYS A 55 -34.964 0.776 -53.740 1.00 92.77 N ATOM 0 H LYS A 55 -33.995 0.010 -46.976 1.00 21.34 H new ATOM 0 HA LYS A 55 -32.255 1.576 -48.116 1.00 20.85 H new ATOM 0 HB2 LYS A 55 -34.841 1.132 -48.745 1.00 31.47 H new ATOM 0 HB3 LYS A 55 -34.339 2.574 -49.061 1.00 31.47 H new ATOM 0 HG2 LYS A 55 -32.587 1.608 -50.402 1.00 93.27 H new ATOM 0 HG3 LYS A 55 -33.238 0.209 -50.174 1.00 93.27 H new ATOM 0 HD2 LYS A 55 -35.215 0.959 -51.236 1.00108.15 H new ATOM 0 HD3 LYS A 55 -34.559 2.354 -51.469 1.00108.15 H new ATOM 0 HE2 LYS A 55 -33.205 1.573 -53.097 1.00108.15 H new ATOM 0 HE3 LYS A 55 -33.388 0.090 -52.650 1.00108.15 H new ATOM 0 HZ1 LYS A 55 -34.858 0.015 -54.188 1.00 92.77 H new ATOM 0 HZ2 LYS A 55 -35.742 0.759 -53.308 1.00 92.77 H new ATOM 0 HZ3 LYS A 55 -34.956 1.459 -54.310 1.00 92.77 H new ATOM 419 N PHE A 56 -32.827 3.938 -47.115 1.00 20.78 N ATOM 420 CA PHE A 56 -33.027 5.156 -46.284 1.00 19.42 C ATOM 421 C PHE A 56 -32.948 6.431 -47.122 1.00 24.72 C ATOM 422 O PHE A 56 -32.344 6.468 -48.205 1.00 21.77 O ATOM 423 CB PHE A 56 -32.081 5.166 -45.079 1.00 28.48 C ATOM 424 CG PHE A 56 -30.626 5.041 -45.416 1.00 20.80 C ATOM 425 CD1 PHE A 56 -29.892 6.194 -45.733 1.00 22.70 C ATOM 426 CD2 PHE A 56 -30.012 3.784 -45.433 1.00 17.56 C ATOM 427 CE1 PHE A 56 -28.534 6.074 -46.058 1.00 25.04 C ATOM 428 CE2 PHE A 56 -28.666 3.649 -45.758 1.00 22.82 C ATOM 429 CZ PHE A 56 -27.931 4.799 -46.060 1.00 18.63 C ATOM 0 H PHE A 56 -32.286 4.037 -47.777 1.00 20.78 H new ATOM 0 HA PHE A 56 -33.928 5.131 -45.925 1.00 19.42 H new ATOM 0 HB2 PHE A 56 -32.215 5.990 -44.586 1.00 28.48 H new ATOM 0 HB3 PHE A 56 -32.326 4.438 -44.486 1.00 28.48 H new ATOM 0 HD1 PHE A 56 -30.302 7.029 -45.728 1.00 22.70 H new ATOM 0 HD2 PHE A 56 -30.511 3.028 -45.224 1.00 17.56 H new ATOM 0 HE1 PHE A 56 -28.034 6.829 -46.271 1.00 25.04 H new ATOM 0 HE2 PHE A 56 -28.263 2.811 -45.774 1.00 22.82 H new ATOM 0 HZ PHE A 56 -27.027 4.722 -46.266 1.00 18.63 H new ATOM 430 N LYS A 57 -33.594 7.458 -46.583 1.00 20.52 N ATOM 431 CA LYS A 57 -33.671 8.777 -47.234 1.00 20.59 C ATOM 432 C LYS A 57 -34.019 9.815 -46.171 1.00 23.13 C ATOM 433 O LYS A 57 -35.093 9.683 -45.556 1.00 42.05 O ATOM 434 CB LYS A 57 -34.727 8.779 -48.336 1.00 23.20 C ATOM 435 CG LYS A 57 -34.743 9.931 -49.308 1.00 22.20 C ATOM 436 CD LYS A 57 -35.951 9.966 -50.230 1.00 43.03 C ATOM 437 CE LYS A 57 -35.939 11.216 -51.103 1.00 34.25 C ATOM 438 NZ LYS A 57 -37.321 11.609 -51.470 1.00100.10 N ATOM 0 H LYS A 57 -34.003 7.417 -45.828 1.00 20.52 H new ATOM 0 HA LYS A 57 -32.817 8.987 -47.644 1.00 20.59 H new ATOM 0 HB2 LYS A 57 -34.622 7.962 -48.848 1.00 23.20 H new ATOM 0 HB3 LYS A 57 -35.598 8.738 -47.911 1.00 23.20 H new ATOM 0 HG2 LYS A 57 -34.709 10.761 -48.808 1.00 22.20 H new ATOM 0 HG3 LYS A 57 -33.939 9.893 -49.849 1.00 22.20 H new ATOM 0 HD2 LYS A 57 -35.956 9.175 -50.792 1.00 43.03 H new ATOM 0 HD3 LYS A 57 -36.765 9.944 -49.703 1.00 43.03 H new ATOM 0 HE2 LYS A 57 -35.505 11.943 -50.630 1.00 34.25 H new ATOM 0 HE3 LYS A 57 -35.420 11.051 -51.906 1.00 34.25 H new ATOM 0 HZ1 LYS A 57 -37.297 12.339 -51.979 1.00100.10 H new ATOM 0 HZ2 LYS A 57 -37.709 10.946 -51.921 1.00100.10 H new ATOM 0 HZ3 LYS A 57 -37.788 11.778 -50.731 1.00100.10 H new ATOM 439 N SER A 58 -33.135 10.770 -45.995 1.00 16.75 N ATOM 440 CA SER A 58 -33.341 11.838 -45.001 1.00 18.37 C ATOM 441 C SER A 58 -34.015 13.018 -45.690 1.00 23.90 C ATOM 442 O SER A 58 -34.115 13.051 -46.928 1.00 21.52 O ATOM 443 CB SER A 58 -32.034 12.230 -44.340 1.00 13.61 C ATOM 444 OG SER A 58 -31.247 12.998 -45.237 1.00 19.82 O ATOM 0 H SER A 58 -32.399 10.832 -46.436 1.00 16.75 H new ATOM 0 HA SER A 58 -33.918 11.520 -44.289 1.00 18.37 H new ATOM 0 HB2 SER A 58 -32.211 12.741 -43.534 1.00 13.61 H new ATOM 0 HB3 SER A 58 -31.548 11.435 -44.071 1.00 13.61 H new ATOM 0 HG SER A 58 -30.707 13.471 -44.801 1.00 19.82 H new ATOM 445 N LYS A 59 -34.441 13.968 -44.871 1.00 24.77 N ATOM 446 CA LYS A 59 -35.088 15.189 -45.385 1.00 29.77 C ATOM 447 C LYS A 59 -34.024 16.252 -45.713 1.00 18.41 C ATOM 448 O LYS A 59 -33.040 16.313 -44.947 1.00 24.04 O ATOM 449 CB LYS A 59 -36.048 15.807 -44.386 1.00 57.99 C ATOM 450 CG LYS A 59 -36.808 14.977 -43.359 1.00106.99 C ATOM 451 CD LYS A 59 -37.551 15.890 -42.388 1.00102.83 C ATOM 452 CE LYS A 59 -38.360 15.205 -41.310 1.00104.02 C ATOM 453 NZ LYS A 59 -38.988 16.242 -40.434 1.00100.71 N ATOM 0 H LYS A 59 -34.370 13.934 -44.015 1.00 24.77 H new ATOM 0 HA LYS A 59 -35.583 14.921 -46.175 1.00 29.77 H new ATOM 0 HB2 LYS A 59 -35.543 16.469 -43.889 1.00 57.99 H new ATOM 0 HB3 LYS A 59 -36.714 16.288 -44.902 1.00 57.99 H new ATOM 0 HG2 LYS A 59 -37.437 14.391 -43.808 1.00106.99 H new ATOM 0 HG3 LYS A 59 -36.191 14.409 -42.871 1.00106.99 H new ATOM 0 HD2 LYS A 59 -36.903 16.471 -41.960 1.00102.83 H new ATOM 0 HD3 LYS A 59 -38.147 16.459 -42.900 1.00102.83 H new ATOM 0 HE2 LYS A 59 -39.044 14.646 -41.710 1.00104.02 H new ATOM 0 HE3 LYS A 59 -37.790 14.623 -40.783 1.00104.02 H new ATOM 0 HZ1 LYS A 59 -39.466 15.844 -39.797 1.00100.71 H new ATOM 0 HZ2 LYS A 59 -38.352 16.739 -40.060 1.00100.71 H new ATOM 0 HZ3 LYS A 59 -39.521 16.761 -40.923 1.00100.71 H new ATOM 454 N ILE A 60 -34.239 17.032 -46.762 1.00 20.54 N ATOM 455 CA ILE A 60 -33.285 18.101 -47.120 1.00 26.33 C ATOM 456 C ILE A 60 -33.112 19.013 -45.908 1.00 28.98 C ATOM 457 O ILE A 60 -34.087 19.416 -45.264 1.00 32.83 O ATOM 458 CB ILE A 60 -33.693 18.885 -48.418 1.00 25.61 C ATOM 459 CG1 ILE A 60 -33.548 17.962 -49.662 1.00 36.44 C ATOM 460 CG2 ILE A 60 -32.918 20.217 -48.622 1.00 16.56 C ATOM 461 CD1 ILE A 60 -34.046 18.590 -50.988 1.00 32.21 C ATOM 0 H ILE A 60 -34.921 16.969 -47.282 1.00 20.54 H new ATOM 0 HA ILE A 60 -32.431 17.699 -47.346 1.00 26.33 H new ATOM 0 HB ILE A 60 -34.621 19.142 -48.304 1.00 25.61 H new ATOM 0 HG12 ILE A 60 -32.615 17.718 -49.763 1.00 36.44 H new ATOM 0 HG13 ILE A 60 -34.040 17.141 -49.501 1.00 36.44 H new ATOM 0 HG21 ILE A 60 -33.220 20.645 -49.438 1.00 16.56 H new ATOM 0 HG22 ILE A 60 -33.082 20.806 -47.869 1.00 16.56 H new ATOM 0 HG23 ILE A 60 -31.968 20.032 -48.686 1.00 16.56 H new ATOM 0 HD11 ILE A 60 -33.923 17.957 -51.712 1.00 32.21 H new ATOM 0 HD12 ILE A 60 -34.987 18.811 -50.908 1.00 32.21 H new ATOM 0 HD13 ILE A 60 -33.540 19.396 -51.174 1.00 32.21 H new ATOM 462 N ASN A 61 -31.897 19.332 -45.551 1.00 18.40 N ATOM 463 CA ASN A 61 -31.460 20.212 -44.470 1.00 22.93 C ATOM 464 C ASN A 61 -31.521 19.648 -43.052 1.00 19.93 C ATOM 465 O ASN A 61 -31.153 20.414 -42.130 1.00 35.77 O ATOM 466 CB ASN A 61 -32.154 21.596 -44.565 1.00 22.35 C ATOM 467 CG ASN A 61 -31.845 22.266 -45.895 1.00 30.49 C ATOM 468 OD1 ASN A 61 -30.685 22.244 -46.337 1.00 32.71 O ATOM 469 ND2 ASN A 61 -32.851 22.840 -46.553 1.00 35.22 N ATOM 0 H ASN A 61 -31.223 19.009 -45.976 1.00 18.40 H new ATOM 0 HA ASN A 61 -30.507 20.308 -44.624 1.00 22.93 H new ATOM 0 HB2 ASN A 61 -33.113 21.489 -44.467 1.00 22.35 H new ATOM 0 HB3 ASN A 61 -31.856 22.162 -43.836 1.00 22.35 H new ATOM 0 HD21 ASN A 61 -32.709 23.214 -47.314 1.00 35.22 H new ATOM 0 HD22 ASN A 61 -33.642 22.836 -46.217 1.00 35.22 H new ATOM 470 N GLU A 62 -31.907 18.394 -42.930 1.00 26.11 N ATOM 471 CA GLU A 62 -31.989 17.711 -41.642 1.00 29.46 C ATOM 472 C GLU A 62 -30.707 16.931 -41.296 1.00 25.27 C ATOM 473 O GLU A 62 -29.971 16.381 -42.132 1.00 23.52 O ATOM 474 CB GLU A 62 -33.126 16.680 -41.506 1.00 39.07 C ATOM 475 CG GLU A 62 -33.043 15.249 -41.994 1.00107.88 C ATOM 476 CD GLU A 62 -33.893 14.112 -41.527 1.00 54.89 C ATOM 477 OE1 GLU A 62 -33.888 13.971 -40.278 1.00 54.37 O ATOM 478 OE2 GLU A 62 -34.545 13.304 -42.197 1.00 32.76 O ATOM 0 H GLU A 62 -32.133 17.903 -43.598 1.00 26.11 H new ATOM 0 HA GLU A 62 -32.148 18.457 -41.042 1.00 29.46 H new ATOM 0 HB2 GLU A 62 -33.333 16.630 -40.560 1.00 39.07 H new ATOM 0 HB3 GLU A 62 -33.898 17.070 -41.945 1.00 39.07 H new ATOM 0 HG2 GLU A 62 -33.168 15.292 -42.955 1.00107.88 H new ATOM 0 HG3 GLU A 62 -32.126 14.972 -41.839 1.00107.88 H new ATOM 479 N ASN A 63 -30.470 16.924 -39.988 1.00 18.43 N ATOM 480 CA ASN A 63 -29.376 16.155 -39.373 1.00 20.76 C ATOM 481 C ASN A 63 -29.949 14.711 -39.458 1.00 25.52 C ATOM 482 O ASN A 63 -31.091 14.603 -38.992 1.00 33.47 O ATOM 483 CB ASN A 63 -29.073 16.460 -37.928 1.00 28.85 C ATOM 484 CG ASN A 63 -27.978 17.422 -37.561 1.00 44.72 C ATOM 485 OD1 ASN A 63 -27.825 18.439 -38.261 1.00 46.10 O ATOM 486 ND2 ASN A 63 -27.227 17.125 -36.492 1.00 80.56 N ATOM 0 H ASN A 63 -30.941 17.368 -39.422 1.00 18.43 H new ATOM 0 HA ASN A 63 -28.536 16.342 -39.821 1.00 20.76 H new ATOM 0 HB2 ASN A 63 -29.892 16.793 -37.529 1.00 28.85 H new ATOM 0 HB3 ASN A 63 -28.869 15.616 -37.495 1.00 28.85 H new ATOM 0 HD21 ASN A 63 -26.592 17.653 -36.252 1.00 80.56 H new ATOM 0 HD22 ASN A 63 -27.380 16.406 -36.046 1.00 80.56 H new ATOM 487 N TYR A 64 -29.249 13.749 -39.978 1.00 19.04 N ATOM 488 CA TYR A 64 -29.760 12.384 -40.074 1.00 14.02 C ATOM 489 C TYR A 64 -28.823 11.430 -39.359 1.00 17.67 C ATOM 490 O TYR A 64 -27.612 11.502 -39.623 1.00 17.82 O ATOM 491 CB TYR A 64 -29.898 12.092 -41.582 1.00 16.20 C ATOM 492 CG TYR A 64 -30.546 10.745 -41.719 1.00 16.31 C ATOM 493 CD1 TYR A 64 -31.894 10.602 -41.376 1.00 27.49 C ATOM 494 CD2 TYR A 64 -29.861 9.635 -42.172 1.00 21.94 C ATOM 495 CE1 TYR A 64 -32.527 9.365 -41.497 1.00 28.21 C ATOM 496 CE2 TYR A 64 -30.485 8.394 -42.280 1.00 32.12 C ATOM 497 CZ TYR A 64 -31.823 8.251 -41.943 1.00 26.30 C ATOM 498 OH TYR A 64 -32.401 7.020 -42.052 1.00 33.17 O ATOM 0 H TYR A 64 -28.455 13.852 -40.293 1.00 19.04 H new ATOM 0 HA TYR A 64 -30.621 12.270 -39.642 1.00 14.02 H new ATOM 0 HB2 TYR A 64 -30.434 12.775 -42.015 1.00 16.20 H new ATOM 0 HB3 TYR A 64 -29.029 12.099 -42.012 1.00 16.20 H new ATOM 0 HD1 TYR A 64 -32.372 11.337 -41.065 1.00 27.49 H new ATOM 0 HD2 TYR A 64 -28.966 9.717 -42.410 1.00 21.94 H new ATOM 0 HE1 TYR A 64 -33.427 9.284 -41.278 1.00 28.21 H new ATOM 0 HE2 TYR A 64 -30.002 7.658 -42.580 1.00 32.12 H new ATOM 0 HH TYR A 64 -31.835 6.468 -42.336 1.00 33.17 H new ATOM 499 N VAL A 65 -29.313 10.567 -38.488 1.00 15.57 N ATOM 500 CA VAL A 65 -28.476 9.609 -37.768 1.00 17.12 C ATOM 501 C VAL A 65 -28.845 8.223 -38.334 1.00 24.15 C ATOM 502 O VAL A 65 -29.971 7.771 -38.156 1.00 20.84 O ATOM 503 CB VAL A 65 -28.536 9.605 -36.239 1.00 18.64 C ATOM 504 CG1 VAL A 65 -27.568 8.575 -35.645 1.00 18.23 C ATOM 505 CG2 VAL A 65 -28.262 10.953 -35.596 1.00 18.66 C ATOM 0 H VAL A 65 -30.149 10.516 -38.292 1.00 15.57 H new ATOM 0 HA VAL A 65 -27.556 9.875 -37.919 1.00 17.12 H new ATOM 0 HB VAL A 65 -29.455 9.369 -36.036 1.00 18.64 H new ATOM 0 HG11 VAL A 65 -27.628 8.595 -34.677 1.00 18.23 H new ATOM 0 HG12 VAL A 65 -27.801 7.689 -35.965 1.00 18.23 H new ATOM 0 HG13 VAL A 65 -26.662 8.788 -35.917 1.00 18.23 H new ATOM 0 HG21 VAL A 65 -28.318 10.869 -34.631 1.00 18.66 H new ATOM 0 HG22 VAL A 65 -27.374 11.255 -35.843 1.00 18.66 H new ATOM 0 HG23 VAL A 65 -28.919 11.597 -35.903 1.00 18.66 H new ATOM 506 N LEU A 66 -27.889 7.637 -39.013 1.00 15.76 N ATOM 507 CA LEU A 66 -28.018 6.323 -39.606 1.00 16.10 C ATOM 508 C LEU A 66 -27.392 5.270 -38.703 1.00 16.69 C ATOM 509 O LEU A 66 -26.213 5.432 -38.340 1.00 18.74 O ATOM 510 CB LEU A 66 -27.287 6.326 -40.963 1.00 14.18 C ATOM 511 CG LEU A 66 -27.143 4.986 -41.681 1.00 22.45 C ATOM 512 CD1 LEU A 66 -28.508 4.532 -42.168 1.00 18.23 C ATOM 513 CD2 LEU A 66 -26.206 5.107 -42.880 1.00 18.17 C ATOM 0 H LEU A 66 -27.121 8.000 -39.148 1.00 15.76 H new ATOM 0 HA LEU A 66 -28.958 6.113 -39.724 1.00 16.10 H new ATOM 0 HB2 LEU A 66 -27.755 6.936 -41.555 1.00 14.18 H new ATOM 0 HB3 LEU A 66 -26.399 6.690 -40.825 1.00 14.18 H new ATOM 0 HG LEU A 66 -26.772 4.342 -41.058 1.00 22.45 H new ATOM 0 HD11 LEU A 66 -28.422 3.681 -42.625 1.00 18.23 H new ATOM 0 HD12 LEU A 66 -29.106 4.433 -41.410 1.00 18.23 H new ATOM 0 HD13 LEU A 66 -28.869 5.192 -42.780 1.00 18.23 H new ATOM 0 HD21 LEU A 66 -26.130 4.246 -43.320 1.00 18.17 H new ATOM 0 HD22 LEU A 66 -26.562 5.758 -43.505 1.00 18.17 H new ATOM 0 HD23 LEU A 66 -25.330 5.394 -42.579 1.00 18.17 H new ATOM 514 N THR A 67 -28.129 4.233 -38.376 1.00 15.73 N ATOM 515 CA THR A 67 -27.538 3.129 -37.599 1.00 14.77 C ATOM 516 C THR A 67 -27.158 2.078 -38.658 1.00 15.13 C ATOM 517 O THR A 67 -28.035 1.727 -39.479 1.00 19.74 O ATOM 518 CB THR A 67 -28.439 2.553 -36.446 1.00 14.47 C ATOM 519 OG1 THR A 67 -28.831 3.735 -35.697 1.00 22.79 O ATOM 520 CG2 THR A 67 -27.722 1.518 -35.579 1.00 19.81 C ATOM 0 H THR A 67 -28.958 4.134 -38.582 1.00 15.73 H new ATOM 0 HA THR A 67 -26.773 3.444 -37.092 1.00 14.77 H new ATOM 0 HB THR A 67 -29.199 2.058 -36.790 1.00 14.47 H new ATOM 0 HG1 THR A 67 -29.323 3.509 -35.055 1.00 22.79 H new ATOM 0 HG21 THR A 67 -28.325 1.200 -34.889 1.00 19.81 H new ATOM 0 HG22 THR A 67 -27.442 0.771 -36.131 1.00 19.81 H new ATOM 0 HG23 THR A 67 -26.944 1.924 -35.166 1.00 19.81 H new ATOM 521 N VAL A 68 -25.933 1.598 -38.664 1.00 11.78 N ATOM 522 CA VAL A 68 -25.474 0.596 -39.650 1.00 18.00 C ATOM 523 C VAL A 68 -25.392 -0.779 -38.973 1.00 16.94 C ATOM 524 O VAL A 68 -24.716 -0.940 -37.950 1.00 22.19 O ATOM 525 CB VAL A 68 -24.158 0.976 -40.348 1.00 27.45 C ATOM 526 CG1 VAL A 68 -24.357 2.088 -41.373 1.00 24.65 C ATOM 527 CG2 VAL A 68 -23.047 1.309 -39.368 1.00 23.68 C ATOM 0 H VAL A 68 -25.328 1.835 -38.100 1.00 11.78 H new ATOM 0 HA VAL A 68 -26.129 0.564 -40.365 1.00 18.00 H new ATOM 0 HB VAL A 68 -23.871 0.185 -40.830 1.00 27.45 H new ATOM 0 HG11 VAL A 68 -23.507 2.299 -41.791 1.00 24.65 H new ATOM 0 HG12 VAL A 68 -24.986 1.795 -42.051 1.00 24.65 H new ATOM 0 HG13 VAL A 68 -24.704 2.878 -40.930 1.00 24.65 H new ATOM 0 HG21 VAL A 68 -22.242 1.541 -39.857 1.00 23.68 H new ATOM 0 HG22 VAL A 68 -23.317 2.059 -38.816 1.00 23.68 H new ATOM 0 HG23 VAL A 68 -22.871 0.540 -38.804 1.00 23.68 H new ATOM 528 N THR A 69 -26.098 -1.721 -39.559 1.00 16.16 N ATOM 529 CA THR A 69 -26.171 -3.109 -39.049 1.00 22.13 C ATOM 530 C THR A 69 -25.431 -4.123 -39.924 1.00 15.63 C ATOM 531 O THR A 69 -24.455 -4.758 -39.505 1.00 24.82 O ATOM 532 CB THR A 69 -27.658 -3.631 -38.808 1.00 17.83 C ATOM 533 OG1 THR A 69 -28.240 -2.644 -37.874 1.00 28.40 O ATOM 534 CG2 THR A 69 -27.849 -5.037 -38.238 1.00 28.71 C ATOM 0 H THR A 69 -26.560 -1.589 -40.273 1.00 16.16 H new ATOM 0 HA THR A 69 -25.723 -3.050 -38.191 1.00 22.13 H new ATOM 0 HB THR A 69 -28.080 -3.708 -39.678 1.00 17.83 H new ATOM 0 HG1 THR A 69 -29.034 -2.856 -37.701 1.00 28.40 H new ATOM 0 HG21 THR A 69 -28.796 -5.222 -38.144 1.00 28.71 H new ATOM 0 HG22 THR A 69 -27.451 -5.687 -38.838 1.00 28.71 H new ATOM 0 HG23 THR A 69 -27.421 -5.095 -37.370 1.00 28.71 H new ATOM 535 N GLN A 70 -25.933 -4.242 -41.136 1.00 18.54 N ATOM 536 CA GLN A 70 -25.412 -5.196 -42.129 1.00 15.41 C ATOM 537 C GLN A 70 -24.020 -4.842 -42.628 1.00 25.70 C ATOM 538 O GLN A 70 -23.780 -3.712 -43.078 1.00 19.69 O ATOM 539 CB GLN A 70 -26.423 -5.289 -43.296 1.00 16.24 C ATOM 540 CG GLN A 70 -27.859 -5.494 -42.789 1.00 22.53 C ATOM 541 CD GLN A 70 -27.913 -6.864 -42.125 1.00 36.43 C ATOM 542 OE1 GLN A 70 -27.283 -7.805 -42.605 1.00 40.94 O ATOM 543 NE2 GLN A 70 -28.632 -6.918 -41.016 1.00 36.57 N ATOM 0 H GLN A 70 -26.594 -3.771 -41.421 1.00 18.54 H new ATOM 0 HA GLN A 70 -25.315 -6.060 -41.699 1.00 15.41 H new ATOM 0 HB2 GLN A 70 -26.380 -4.479 -43.827 1.00 16.24 H new ATOM 0 HB3 GLN A 70 -26.177 -6.024 -43.879 1.00 16.24 H new ATOM 0 HG2 GLN A 70 -28.102 -4.798 -42.158 1.00 22.53 H new ATOM 0 HG3 GLN A 70 -28.491 -5.444 -43.523 1.00 22.53 H new ATOM 0 HE21 GLN A 70 -29.048 -6.218 -40.739 1.00 36.57 H new ATOM 0 HE22 GLN A 70 -28.684 -7.653 -40.572 1.00 36.57 H new ATOM 544 N PRO A 71 -23.119 -5.812 -42.533 1.00 18.82 N ATOM 545 CA PRO A 71 -21.752 -5.676 -43.026 1.00 16.33 C ATOM 546 C PRO A 71 -21.830 -5.489 -44.552 1.00 17.98 C ATOM 547 O PRO A 71 -22.823 -5.939 -45.175 1.00 15.51 O ATOM 548 CB PRO A 71 -21.045 -6.975 -42.616 1.00 23.96 C ATOM 549 CG PRO A 71 -21.963 -7.674 -41.662 1.00 23.05 C ATOM 550 CD PRO A 71 -23.361 -7.185 -42.008 1.00 18.85 C ATOM 0 HA PRO A 71 -21.264 -4.918 -42.668 1.00 16.33 H new ATOM 0 HB2 PRO A 71 -20.865 -7.530 -43.391 1.00 23.96 H new ATOM 0 HB3 PRO A 71 -20.191 -6.786 -42.198 1.00 23.96 H new ATOM 0 HG2 PRO A 71 -21.897 -8.637 -41.757 1.00 23.05 H new ATOM 0 HG3 PRO A 71 -21.737 -7.463 -40.743 1.00 23.05 H new ATOM 0 HD2 PRO A 71 -23.786 -7.752 -42.670 1.00 18.85 H new ATOM 0 HD3 PRO A 71 -23.940 -7.175 -41.230 1.00 18.85 H new ATOM 551 N GLY A 72 -20.833 -4.867 -45.143 1.00 13.84 N ATOM 552 CA GLY A 72 -20.770 -4.643 -46.583 1.00 11.82 C ATOM 553 C GLY A 72 -20.539 -3.147 -46.845 1.00 11.58 C ATOM 554 O GLY A 72 -20.372 -2.372 -45.906 1.00 11.99 O ATOM 0 H GLY A 72 -20.156 -4.554 -44.716 1.00 13.84 H new ATOM 0 HA2 GLY A 72 -20.052 -5.166 -46.973 1.00 11.82 H new ATOM 0 HA3 GLY A 72 -21.594 -4.934 -47.004 1.00 11.82 H new ATOM 555 N ALA A 73 -20.565 -2.867 -48.133 1.00 13.83 N ATOM 556 CA ALA A 73 -20.366 -1.502 -48.643 1.00 13.04 C ATOM 557 C ALA A 73 -21.731 -0.902 -48.974 1.00 8.68 C ATOM 558 O ALA A 73 -22.680 -1.533 -49.431 1.00 10.43 O ATOM 559 CB ALA A 73 -19.423 -1.517 -49.847 1.00 9.56 C ATOM 0 H ALA A 73 -20.698 -3.455 -48.746 1.00 13.83 H new ATOM 0 HA ALA A 73 -19.944 -0.944 -47.971 1.00 13.04 H new ATOM 0 HB1 ALA A 73 -19.300 -0.612 -50.173 1.00 9.56 H new ATOM 0 HB2 ALA A 73 -18.565 -1.884 -49.582 1.00 9.56 H new ATOM 0 HB3 ALA A 73 -19.805 -2.065 -50.550 1.00 9.56 H new ATOM 560 N TYR A 74 -21.815 0.401 -48.727 1.00 11.04 N ATOM 561 CA TYR A 74 -22.982 1.236 -48.959 1.00 10.84 C ATOM 562 C TYR A 74 -22.597 2.512 -49.740 1.00 9.62 C ATOM 563 O TYR A 74 -21.732 3.228 -49.216 1.00 14.22 O ATOM 564 CB TYR A 74 -23.649 1.704 -47.642 1.00 12.98 C ATOM 565 CG TYR A 74 -24.149 0.706 -46.619 1.00 14.44 C ATOM 566 CD1 TYR A 74 -23.258 -0.201 -46.026 1.00 9.41 C ATOM 567 CD2 TYR A 74 -25.481 0.715 -46.206 1.00 10.73 C ATOM 568 CE1 TYR A 74 -23.705 -1.093 -45.051 1.00 12.49 C ATOM 569 CE2 TYR A 74 -25.954 -0.171 -45.245 1.00 14.64 C ATOM 570 CZ TYR A 74 -25.056 -1.073 -44.699 1.00 17.70 C ATOM 571 OH TYR A 74 -25.506 -1.936 -43.752 1.00 21.40 O ATOM 0 H TYR A 74 -21.154 0.844 -48.401 1.00 11.04 H new ATOM 0 HA TYR A 74 -23.601 0.684 -49.462 1.00 10.84 H new ATOM 0 HB2 TYR A 74 -23.011 2.278 -47.190 1.00 12.98 H new ATOM 0 HB3 TYR A 74 -24.405 2.259 -47.889 1.00 12.98 H new ATOM 0 HD1 TYR A 74 -22.365 -0.208 -46.284 1.00 9.41 H new ATOM 0 HD2 TYR A 74 -26.068 1.330 -46.583 1.00 10.73 H new ATOM 0 HE1 TYR A 74 -23.116 -1.688 -44.645 1.00 12.49 H new ATOM 0 HE2 TYR A 74 -26.845 -0.158 -44.977 1.00 14.64 H new ATOM 0 HH TYR A 74 -24.881 -2.445 -43.517 1.00 21.40 H new ATOM 572 N LEU A 75 -23.212 2.764 -50.874 1.00 13.03 N ATOM 573 CA LEU A 75 -22.923 4.031 -51.603 1.00 10.84 C ATOM 574 C LEU A 75 -24.179 4.872 -51.345 1.00 14.01 C ATOM 575 O LEU A 75 -25.289 4.441 -51.685 1.00 13.15 O ATOM 576 CB LEU A 75 -22.651 3.803 -53.082 1.00 12.44 C ATOM 577 CG LEU A 75 -21.929 4.964 -53.745 1.00 12.05 C ATOM 578 CD1 LEU A 75 -20.501 5.068 -53.232 1.00 14.90 C ATOM 579 CD2 LEU A 75 -21.947 4.727 -55.250 1.00 15.85 C ATOM 0 H LEU A 75 -23.787 2.246 -51.249 1.00 13.03 H new ATOM 0 HA LEU A 75 -22.113 4.469 -51.297 1.00 10.84 H new ATOM 0 HB2 LEU A 75 -22.120 2.998 -53.187 1.00 12.44 H new ATOM 0 HB3 LEU A 75 -23.492 3.650 -53.540 1.00 12.44 H new ATOM 0 HG LEU A 75 -22.373 5.800 -53.535 1.00 12.05 H new ATOM 0 HD11 LEU A 75 -20.055 5.813 -53.665 1.00 14.90 H new ATOM 0 HD12 LEU A 75 -20.511 5.211 -52.273 1.00 14.90 H new ATOM 0 HD13 LEU A 75 -20.025 4.247 -53.431 1.00 14.90 H new ATOM 0 HD21 LEU A 75 -21.491 5.456 -55.698 1.00 15.85 H new ATOM 0 HD22 LEU A 75 -21.496 3.892 -55.452 1.00 15.85 H new ATOM 0 HD23 LEU A 75 -22.865 4.681 -55.560 1.00 15.85 H new ATOM 580 N VAL A 76 -23.999 6.004 -50.705 1.00 10.25 N ATOM 581 CA VAL A 76 -25.076 6.941 -50.403 1.00 9.00 C ATOM 582 C VAL A 76 -24.873 8.140 -51.322 1.00 11.16 C ATOM 583 O VAL A 76 -23.743 8.449 -51.768 1.00 10.74 O ATOM 584 CB VAL A 76 -25.106 7.343 -48.907 1.00 14.24 C ATOM 585 CG1 VAL A 76 -25.280 6.124 -48.014 1.00 14.50 C ATOM 586 CG2 VAL A 76 -23.905 8.104 -48.377 1.00 16.33 C ATOM 0 H VAL A 76 -23.229 6.264 -50.423 1.00 10.25 H new ATOM 0 HA VAL A 76 -25.941 6.531 -50.561 1.00 9.00 H new ATOM 0 HB VAL A 76 -25.862 7.950 -48.875 1.00 14.24 H new ATOM 0 HG11 VAL A 76 -25.295 6.403 -47.085 1.00 14.50 H new ATOM 0 HG12 VAL A 76 -26.114 5.680 -48.232 1.00 14.50 H new ATOM 0 HG13 VAL A 76 -24.541 5.511 -48.155 1.00 14.50 H new ATOM 0 HG21 VAL A 76 -24.035 8.300 -47.436 1.00 16.33 H new ATOM 0 HG22 VAL A 76 -23.106 7.565 -48.487 1.00 16.33 H new ATOM 0 HG23 VAL A 76 -23.805 8.934 -48.869 1.00 16.33 H new ATOM 587 N LYS A 77 -25.927 8.867 -51.589 1.00 11.57 N ATOM 588 CA LYS A 77 -25.838 10.090 -52.399 1.00 10.95 C ATOM 589 C LYS A 77 -26.662 11.188 -51.704 1.00 16.77 C ATOM 590 O LYS A 77 -27.404 10.985 -50.737 1.00 14.16 O ATOM 591 CB LYS A 77 -26.426 9.851 -53.788 1.00 11.52 C ATOM 592 CG LYS A 77 -27.900 9.441 -53.692 1.00 13.51 C ATOM 593 CD LYS A 77 -28.553 9.360 -55.076 1.00 14.95 C ATOM 594 CE LYS A 77 -29.982 8.867 -54.896 1.00 19.79 C ATOM 595 NZ LYS A 77 -30.627 8.929 -56.230 1.00 21.51 N ATOM 0 H LYS A 77 -26.720 8.680 -51.314 1.00 11.57 H new ATOM 0 HA LYS A 77 -24.908 10.351 -52.487 1.00 10.95 H new ATOM 0 HB2 LYS A 77 -26.344 10.657 -54.321 1.00 11.52 H new ATOM 0 HB3 LYS A 77 -25.922 9.158 -54.242 1.00 11.52 H new ATOM 0 HG2 LYS A 77 -27.969 8.581 -53.250 1.00 13.51 H new ATOM 0 HG3 LYS A 77 -28.380 10.081 -53.144 1.00 13.51 H new ATOM 0 HD2 LYS A 77 -28.546 10.230 -55.505 1.00 14.95 H new ATOM 0 HD3 LYS A 77 -28.056 8.756 -55.650 1.00 14.95 H new ATOM 0 HE2 LYS A 77 -29.992 7.961 -54.550 1.00 19.79 H new ATOM 0 HE3 LYS A 77 -30.459 9.420 -54.257 1.00 19.79 H new ATOM 0 HZ1 LYS A 77 -31.497 8.759 -56.148 1.00 21.51 H new ATOM 0 HZ2 LYS A 77 -30.515 9.741 -56.577 1.00 21.51 H new ATOM 0 HZ3 LYS A 77 -30.257 8.324 -56.767 1.00 21.51 H new ATOM 596 N CYS A 78 -26.468 12.369 -52.239 1.00 12.71 N ATOM 597 CA CYS A 78 -27.267 13.546 -51.913 1.00 9.21 C ATOM 598 C CYS A 78 -28.261 13.479 -53.107 1.00 11.90 C ATOM 599 O CYS A 78 -27.807 13.360 -54.257 1.00 12.27 O ATOM 600 CB CYS A 78 -26.472 14.833 -51.925 1.00 12.21 C ATOM 601 SG CYS A 78 -27.637 16.247 -51.915 1.00 16.36 S ATOM 0 H CYS A 78 -25.853 12.523 -52.820 1.00 12.71 H new ATOM 0 HA CYS A 78 -27.653 13.545 -51.023 1.00 9.21 H new ATOM 0 HB2 CYS A 78 -25.888 14.874 -51.152 1.00 12.21 H new ATOM 0 HB3 CYS A 78 -25.905 14.870 -52.711 1.00 12.21 H new ATOM 602 N THR A 79 -29.552 13.509 -52.860 1.00 15.01 N ATOM 603 CA THR A 79 -30.562 13.407 -53.943 1.00 19.12 C ATOM 604 C THR A 79 -30.366 14.507 -54.979 1.00 15.55 C ATOM 605 O THR A 79 -30.117 14.171 -56.155 1.00 19.24 O ATOM 606 CB THR A 79 -32.027 13.265 -53.368 1.00 21.88 C ATOM 607 OG1 THR A 79 -32.008 12.186 -52.385 1.00 22.69 O ATOM 608 CG2 THR A 79 -33.089 13.002 -54.442 1.00 18.45 C ATOM 0 H THR A 79 -29.886 13.588 -52.072 1.00 15.01 H new ATOM 0 HA THR A 79 -30.423 12.580 -54.431 1.00 19.12 H new ATOM 0 HB THR A 79 -32.282 14.110 -52.965 1.00 21.88 H new ATOM 0 HG1 THR A 79 -32.149 11.453 -52.770 1.00 22.69 H new ATOM 0 HG21 THR A 79 -33.961 12.926 -54.024 1.00 18.45 H new ATOM 0 HG22 THR A 79 -33.098 13.737 -55.075 1.00 18.45 H new ATOM 0 HG23 THR A 79 -32.881 12.177 -54.908 1.00 18.45 H new ATOM 609 N PRO A 80 -30.446 15.765 -54.559 1.00 14.42 N ATOM 610 CA PRO A 80 -30.280 16.888 -55.464 1.00 13.35 C ATOM 611 C PRO A 80 -28.973 16.865 -56.229 1.00 19.87 C ATOM 612 O PRO A 80 -28.961 17.101 -57.443 1.00 21.06 O ATOM 613 CB PRO A 80 -30.348 18.165 -54.602 1.00 16.55 C ATOM 614 CG PRO A 80 -30.533 17.700 -53.194 1.00 14.70 C ATOM 615 CD PRO A 80 -30.789 16.199 -53.201 1.00 14.73 C ATOM 0 HA PRO A 80 -30.979 16.849 -56.136 1.00 13.35 H new ATOM 0 HB2 PRO A 80 -29.536 18.688 -54.691 1.00 16.55 H new ATOM 0 HB3 PRO A 80 -31.084 18.733 -54.880 1.00 16.55 H new ATOM 0 HG2 PRO A 80 -29.744 17.904 -52.667 1.00 14.70 H new ATOM 0 HG3 PRO A 80 -31.278 18.166 -52.782 1.00 14.70 H new ATOM 0 HD2 PRO A 80 -30.244 15.746 -52.539 1.00 14.73 H new ATOM 0 HD3 PRO A 80 -31.715 15.999 -52.991 1.00 14.73 H new ATOM 616 N HIS A 81 -27.865 16.652 -55.513 1.00 16.40 N ATOM 617 CA HIS A 81 -26.556 16.708 -56.167 1.00 15.53 C ATOM 618 C HIS A 81 -25.849 15.428 -56.563 1.00 14.61 C ATOM 619 O HIS A 81 -24.636 15.538 -56.839 1.00 13.27 O ATOM 620 CB HIS A 81 -25.587 17.582 -55.287 1.00 13.69 C ATOM 621 CG HIS A 81 -26.252 18.893 -54.982 1.00 17.54 C ATOM 622 ND1 HIS A 81 -26.744 19.229 -53.748 1.00 21.24 N ATOM 623 CD2 HIS A 81 -26.509 19.939 -55.790 1.00 12.25 C ATOM 624 CE1 HIS A 81 -27.278 20.429 -53.790 1.00 15.73 C ATOM 625 NE2 HIS A 81 -27.138 20.874 -55.017 1.00 11.82 N ATOM 0 H HIS A 81 -27.848 16.478 -54.671 1.00 16.40 H new ATOM 0 HA HIS A 81 -26.775 17.089 -57.032 1.00 15.53 H new ATOM 0 HB2 HIS A 81 -25.371 17.117 -54.464 1.00 13.69 H new ATOM 0 HB3 HIS A 81 -24.751 17.731 -55.756 1.00 13.69 H new ATOM 0 HD2 HIS A 81 -26.300 20.011 -56.693 1.00 12.25 H new ATOM 0 HE1 HIS A 81 -27.680 20.879 -53.082 1.00 15.73 H new ATOM 0 HE2 HIS A 81 -27.404 21.643 -55.294 1.00 11.82 H new ATOM 626 N TYR A 82 -26.541 14.325 -56.675 1.00 12.87 N ATOM 627 CA TYR A 82 -25.916 13.054 -57.066 1.00 12.11 C ATOM 628 C TYR A 82 -25.118 13.182 -58.355 1.00 16.05 C ATOM 629 O TYR A 82 -23.942 12.792 -58.487 1.00 14.13 O ATOM 630 CB TYR A 82 -27.006 11.993 -57.173 1.00 16.31 C ATOM 631 CG TYR A 82 -26.470 10.641 -57.604 1.00 17.41 C ATOM 632 CD1 TYR A 82 -25.373 10.070 -56.955 1.00 18.68 C ATOM 633 CD2 TYR A 82 -27.094 9.937 -58.630 1.00 18.72 C ATOM 634 CE1 TYR A 82 -24.910 8.795 -57.320 1.00 15.20 C ATOM 635 CE2 TYR A 82 -26.633 8.670 -59.010 1.00 17.33 C ATOM 636 CZ TYR A 82 -25.548 8.104 -58.354 1.00 18.63 C ATOM 637 OH TYR A 82 -25.129 6.871 -58.760 1.00 20.55 O ATOM 0 H TYR A 82 -27.387 14.274 -56.530 1.00 12.87 H new ATOM 0 HA TYR A 82 -25.275 12.790 -56.388 1.00 12.11 H new ATOM 0 HB2 TYR A 82 -27.448 11.902 -56.315 1.00 16.31 H new ATOM 0 HB3 TYR A 82 -27.677 12.288 -57.808 1.00 16.31 H new ATOM 0 HD1 TYR A 82 -24.945 10.538 -56.275 1.00 18.68 H new ATOM 0 HD2 TYR A 82 -27.824 10.312 -59.068 1.00 18.72 H new ATOM 0 HE1 TYR A 82 -24.186 8.414 -56.878 1.00 15.20 H new ATOM 0 HE2 TYR A 82 -27.053 8.209 -59.700 1.00 17.33 H new ATOM 0 HH TYR A 82 -25.619 6.600 -59.386 1.00 20.55 H new ATOM 638 N ALA A 83 -25.799 13.799 -59.316 1.00 20.31 N ATOM 639 CA ALA A 83 -25.252 14.032 -60.668 1.00 24.44 C ATOM 640 C ALA A 83 -24.023 14.926 -60.665 1.00 29.15 C ATOM 641 O ALA A 83 -23.285 14.863 -61.668 1.00 36.19 O ATOM 642 CB ALA A 83 -26.364 14.526 -61.591 1.00 35.91 C ATOM 0 H ALA A 83 -26.598 14.099 -59.209 1.00 20.31 H new ATOM 0 HA ALA A 83 -24.928 13.188 -61.019 1.00 24.44 H new ATOM 0 HB1 ALA A 83 -26.004 14.679 -62.479 1.00 35.91 H new ATOM 0 HB2 ALA A 83 -27.066 13.859 -61.638 1.00 35.91 H new ATOM 0 HB3 ALA A 83 -26.729 15.355 -61.244 1.00 35.91 H new ATOM 643 N MET A 84 -23.784 15.704 -59.625 1.00 17.75 N ATOM 644 CA MET A 84 -22.615 16.568 -59.469 1.00 15.06 C ATOM 645 C MET A 84 -21.521 15.817 -58.698 1.00 18.04 C ATOM 646 O MET A 84 -20.464 16.393 -58.458 1.00 18.73 O ATOM 647 CB MET A 84 -22.956 17.936 -58.850 1.00 13.72 C ATOM 648 CG MET A 84 -24.147 18.484 -59.598 1.00 18.96 C ATOM 649 SD MET A 84 -24.486 20.153 -58.958 1.00 36.61 S ATOM 650 CE MET A 84 -25.921 20.560 -59.981 1.00100.37 C ATOM 0 H MET A 84 -24.322 15.749 -58.955 1.00 17.75 H new ATOM 0 HA MET A 84 -22.274 16.780 -60.352 1.00 15.06 H new ATOM 0 HB2 MET A 84 -23.159 17.843 -57.906 1.00 13.72 H new ATOM 0 HB3 MET A 84 -22.201 18.541 -58.920 1.00 13.72 H new ATOM 0 HG2 MET A 84 -23.965 18.516 -60.550 1.00 18.96 H new ATOM 0 HG3 MET A 84 -24.919 17.910 -59.475 1.00 18.96 H new ATOM 0 HE1 MET A 84 -26.236 21.450 -59.757 1.00100.37 H new ATOM 0 HE2 MET A 84 -25.669 20.533 -60.917 1.00100.37 H new ATOM 0 HE3 MET A 84 -26.628 19.916 -59.818 1.00100.37 H new ATOM 651 N GLY A 85 -21.745 14.551 -58.344 1.00 18.00 N ATOM 652 CA GLY A 85 -20.763 13.725 -57.666 1.00 14.92 C ATOM 653 C GLY A 85 -20.819 13.683 -56.163 1.00 16.15 C ATOM 654 O GLY A 85 -19.850 13.240 -55.520 1.00 15.92 O ATOM 0 H GLY A 85 -22.488 14.146 -58.497 1.00 18.00 H new ATOM 0 HA2 GLY A 85 -20.855 12.817 -57.996 1.00 14.92 H new ATOM 0 HA3 GLY A 85 -19.881 14.033 -57.925 1.00 14.92 H new ATOM 655 N MET A 86 -21.929 14.133 -55.620 1.00 13.14 N ATOM 656 CA MET A 86 -22.076 14.173 -54.151 1.00 9.89 C ATOM 657 C MET A 86 -22.421 12.785 -53.624 1.00 11.09 C ATOM 658 O MET A 86 -23.616 12.455 -53.527 1.00 13.05 O ATOM 659 CB MET A 86 -23.108 15.221 -53.709 1.00 9.32 C ATOM 660 CG MET A 86 -22.913 15.462 -52.231 1.00 9.01 C ATOM 661 SD MET A 86 -23.622 17.080 -51.770 1.00 15.62 S ATOM 662 CE MET A 86 -23.391 17.048 -49.992 1.00 10.91 C ATOM 0 H MET A 86 -22.609 14.419 -56.062 1.00 13.14 H new ATOM 0 HA MET A 86 -21.227 14.444 -53.767 1.00 9.89 H new ATOM 0 HB2 MET A 86 -22.991 16.045 -54.207 1.00 9.32 H new ATOM 0 HB3 MET A 86 -24.009 14.908 -53.887 1.00 9.32 H new ATOM 0 HG2 MET A 86 -23.339 14.756 -51.721 1.00 9.01 H new ATOM 0 HG3 MET A 86 -21.968 15.439 -52.013 1.00 9.01 H new ATOM 0 HE1 MET A 86 -24.256 17.040 -49.553 1.00 10.91 H new ATOM 0 HE2 MET A 86 -22.896 16.252 -49.744 1.00 10.91 H new ATOM 0 HE3 MET A 86 -22.896 17.835 -49.716 1.00 10.91 H new ATOM 663 N ILE A 87 -21.384 12.048 -53.248 1.00 11.03 N ATOM 664 CA ILE A 87 -21.533 10.667 -52.715 1.00 13.28 C ATOM 665 C ILE A 87 -20.596 10.372 -51.544 1.00 10.08 C ATOM 666 O ILE A 87 -19.616 11.096 -51.312 1.00 12.17 O ATOM 667 CB ILE A 87 -21.305 9.598 -53.873 1.00 14.24 C ATOM 668 CG1 ILE A 87 -19.938 9.882 -54.568 1.00 12.55 C ATOM 669 CG2 ILE A 87 -22.444 9.528 -54.920 1.00 13.14 C ATOM 670 CD1 ILE A 87 -18.838 8.834 -54.362 1.00 24.02 C ATOM 0 H ILE A 87 -20.569 12.320 -53.289 1.00 11.03 H new ATOM 0 HA ILE A 87 -22.440 10.599 -52.377 1.00 13.28 H new ATOM 0 HB ILE A 87 -21.303 8.726 -53.448 1.00 14.24 H new ATOM 0 HG12 ILE A 87 -20.095 9.975 -55.521 1.00 12.55 H new ATOM 0 HG13 ILE A 87 -19.607 10.737 -54.250 1.00 12.55 H new ATOM 0 HG21 ILE A 87 -22.230 8.857 -55.587 1.00 13.14 H new ATOM 0 HG22 ILE A 87 -23.275 9.291 -54.479 1.00 13.14 H new ATOM 0 HG23 ILE A 87 -22.542 10.392 -55.351 1.00 13.14 H new ATOM 0 HD11 ILE A 87 -18.037 9.109 -54.834 1.00 24.02 H new ATOM 0 HD12 ILE A 87 -18.643 8.751 -53.415 1.00 24.02 H new ATOM 0 HD13 ILE A 87 -19.138 7.978 -54.706 1.00 24.02 H new ATOM 671 N ALA A 88 -20.876 9.307 -50.809 1.00 8.72 N ATOM 672 CA ALA A 88 -20.054 8.839 -49.705 1.00 11.45 C ATOM 673 C ALA A 88 -20.104 7.287 -49.781 1.00 14.35 C ATOM 674 O ALA A 88 -21.124 6.740 -50.224 1.00 13.57 O ATOM 675 CB ALA A 88 -20.424 9.328 -48.315 1.00 9.39 C ATOM 0 H ALA A 88 -21.572 8.821 -50.943 1.00 8.72 H new ATOM 0 HA ALA A 88 -19.166 9.213 -49.818 1.00 11.45 H new ATOM 0 HB1 ALA A 88 -19.810 8.952 -47.665 1.00 9.39 H new ATOM 0 HB2 ALA A 88 -20.371 10.296 -48.288 1.00 9.39 H new ATOM 0 HB3 ALA A 88 -21.328 9.048 -48.103 1.00 9.39 H new ATOM 676 N LEU A 89 -19.003 6.683 -49.376 1.00 13.99 N ATOM 677 CA LEU A 89 -18.913 5.212 -49.331 1.00 9.91 C ATOM 678 C LEU A 89 -18.811 4.817 -47.858 1.00 15.18 C ATOM 679 O LEU A 89 -17.919 5.302 -47.153 1.00 12.67 O ATOM 680 CB LEU A 89 -17.722 4.702 -50.154 1.00 10.27 C ATOM 681 CG LEU A 89 -17.561 3.171 -50.072 1.00 14.98 C ATOM 682 CD1 LEU A 89 -18.596 2.422 -50.892 1.00 12.99 C ATOM 683 CD2 LEU A 89 -16.163 2.866 -50.604 1.00 20.40 C ATOM 0 H LEU A 89 -18.292 7.094 -49.121 1.00 13.99 H new ATOM 0 HA LEU A 89 -19.697 4.804 -49.729 1.00 9.91 H new ATOM 0 HB2 LEU A 89 -17.838 4.963 -51.081 1.00 10.27 H new ATOM 0 HB3 LEU A 89 -16.909 5.127 -49.839 1.00 10.27 H new ATOM 0 HG LEU A 89 -17.687 2.879 -49.156 1.00 14.98 H new ATOM 0 HD11 LEU A 89 -18.449 1.467 -50.805 1.00 12.99 H new ATOM 0 HD12 LEU A 89 -19.485 2.642 -50.571 1.00 12.99 H new ATOM 0 HD13 LEU A 89 -18.517 2.677 -51.824 1.00 12.99 H new ATOM 0 HD21 LEU A 89 -16.007 1.909 -50.575 1.00 20.40 H new ATOM 0 HD22 LEU A 89 -16.090 3.177 -51.520 1.00 20.40 H new ATOM 0 HD23 LEU A 89 -15.502 3.318 -50.056 1.00 20.40 H new ATOM 684 N ILE A 90 -19.701 3.969 -47.370 1.00 11.63 N ATOM 685 CA ILE A 90 -19.671 3.474 -45.983 1.00 8.58 C ATOM 686 C ILE A 90 -19.195 2.012 -46.084 1.00 12.84 C ATOM 687 O ILE A 90 -19.802 1.271 -46.881 1.00 14.24 O ATOM 688 CB ILE A 90 -21.009 3.614 -45.207 1.00 13.45 C ATOM 689 CG1 ILE A 90 -21.581 5.059 -45.223 1.00 17.92 C ATOM 690 CG2 ILE A 90 -20.862 3.075 -43.746 1.00 16.82 C ATOM 691 CD1 ILE A 90 -23.089 5.080 -44.826 1.00 23.69 C ATOM 0 H ILE A 90 -20.353 3.654 -47.834 1.00 11.63 H new ATOM 0 HA ILE A 90 -19.071 4.021 -45.452 1.00 8.58 H new ATOM 0 HB ILE A 90 -21.658 3.067 -45.676 1.00 13.45 H new ATOM 0 HG12 ILE A 90 -21.076 5.615 -44.610 1.00 17.92 H new ATOM 0 HG13 ILE A 90 -21.473 5.442 -46.108 1.00 17.92 H new ATOM 0 HG21 ILE A 90 -21.707 3.171 -43.279 1.00 16.82 H new ATOM 0 HG22 ILE A 90 -20.611 2.138 -43.770 1.00 16.82 H new ATOM 0 HG23 ILE A 90 -20.177 3.581 -43.282 1.00 16.82 H new ATOM 0 HD11 ILE A 90 -23.416 5.993 -44.845 1.00 23.69 H new ATOM 0 HD12 ILE A 90 -23.597 4.542 -45.453 1.00 23.69 H new ATOM 0 HD13 ILE A 90 -23.194 4.718 -43.932 1.00 23.69 H new ATOM 692 N ALA A 91 -18.145 1.650 -45.384 1.00 11.71 N ATOM 693 CA ALA A 91 -17.628 0.254 -45.418 1.00 19.13 C ATOM 694 C ALA A 91 -17.863 -0.332 -44.023 1.00 15.57 C ATOM 695 O ALA A 91 -17.193 0.116 -43.081 1.00 15.23 O ATOM 696 CB ALA A 91 -16.172 0.141 -45.834 1.00 10.98 C ATOM 0 H ALA A 91 -17.700 2.182 -44.875 1.00 11.71 H new ATOM 0 HA ALA A 91 -18.103 -0.244 -46.102 1.00 19.13 H new ATOM 0 HB1 ALA A 91 -15.907 -0.792 -45.833 1.00 10.98 H new ATOM 0 HB2 ALA A 91 -16.060 0.508 -46.725 1.00 10.98 H new ATOM 0 HB3 ALA A 91 -15.618 0.635 -45.210 1.00 10.98 H new ATOM 697 N VAL A 92 -18.787 -1.272 -43.926 1.00 14.99 N ATOM 698 CA VAL A 92 -19.110 -1.905 -42.627 1.00 11.80 C ATOM 699 C VAL A 92 -18.425 -3.277 -42.582 1.00 17.03 C ATOM 700 O VAL A 92 -18.680 -4.179 -43.398 1.00 17.78 O ATOM 701 CB VAL A 92 -20.625 -1.865 -42.390 1.00 12.04 C ATOM 702 CG1 VAL A 92 -21.058 -2.444 -41.045 1.00 17.47 C ATOM 703 CG2 VAL A 92 -21.190 -0.446 -42.489 1.00 14.73 C ATOM 0 H VAL A 92 -19.246 -1.567 -44.591 1.00 14.99 H new ATOM 0 HA VAL A 92 -18.755 -1.421 -41.865 1.00 11.80 H new ATOM 0 HB VAL A 92 -20.983 -2.423 -43.098 1.00 12.04 H new ATOM 0 HG11 VAL A 92 -22.023 -2.387 -40.963 1.00 17.47 H new ATOM 0 HG12 VAL A 92 -20.784 -3.373 -40.989 1.00 17.47 H new ATOM 0 HG13 VAL A 92 -20.643 -1.941 -40.327 1.00 17.47 H new ATOM 0 HG21 VAL A 92 -22.147 -0.467 -42.333 1.00 14.73 H new ATOM 0 HG22 VAL A 92 -20.767 0.118 -41.823 1.00 14.73 H new ATOM 0 HG23 VAL A 92 -21.015 -0.089 -43.374 1.00 14.73 H new ATOM 704 N GLY A 93 -17.516 -3.401 -41.627 1.00 18.03 N ATOM 705 CA GLY A 93 -16.754 -4.638 -41.430 1.00 20.81 C ATOM 706 C GLY A 93 -15.646 -4.686 -42.481 1.00 18.05 C ATOM 707 O GLY A 93 -15.471 -3.772 -43.300 1.00 26.14 O ATOM 0 H GLY A 93 -17.319 -2.774 -41.072 1.00 18.03 H new ATOM 0 HA2 GLY A 93 -16.375 -4.664 -40.537 1.00 20.81 H new ATOM 0 HA3 GLY A 93 -17.335 -5.410 -41.514 1.00 20.81 H new ATOM 708 N ASP A 94 -14.931 -5.804 -42.413 1.00 19.89 N ATOM 709 CA ASP A 94 -13.804 -6.034 -43.338 1.00 23.22 C ATOM 710 C ASP A 94 -14.197 -6.664 -44.665 1.00 19.85 C ATOM 711 O ASP A 94 -15.181 -7.412 -44.749 1.00 28.77 O ATOM 712 CB ASP A 94 -12.751 -6.919 -42.637 1.00 30.83 C ATOM 713 CG ASP A 94 -12.506 -6.373 -41.231 1.00108.15 C ATOM 714 OD1 ASP A 94 -11.922 -5.263 -41.198 1.00 70.75 O ATOM 715 OD2 ASP A 94 -12.911 -7.031 -40.257 1.00 94.97 O ATOM 0 H ASP A 94 -15.072 -6.439 -41.850 1.00 19.89 H new ATOM 0 HA ASP A 94 -13.446 -5.159 -43.557 1.00 23.22 H new ATOM 0 HB2 ASP A 94 -13.061 -7.837 -42.591 1.00 30.83 H new ATOM 0 HB3 ASP A 94 -11.924 -6.923 -43.144 1.00 30.83 H new ATOM 716 N SER A 95 -13.385 -6.348 -45.663 1.00 22.94 N ATOM 717 CA SER A 95 -13.591 -6.942 -46.997 1.00 36.38 C ATOM 718 C SER A 95 -15.051 -7.023 -47.416 1.00 22.72 C ATOM 719 O SER A 95 -15.579 -8.135 -47.607 1.00 20.44 O ATOM 720 CB SER A 95 -12.972 -8.350 -46.898 1.00 43.50 C ATOM 721 OG SER A 95 -12.218 -8.713 -48.033 1.00 82.60 O ATOM 0 H SER A 95 -12.721 -5.805 -45.602 1.00 22.94 H new ATOM 0 HA SER A 95 -13.180 -6.388 -47.678 1.00 36.38 H new ATOM 0 HB2 SER A 95 -12.403 -8.391 -46.114 1.00 43.50 H new ATOM 0 HB3 SER A 95 -13.681 -8.999 -46.768 1.00 43.50 H new ATOM 0 HG SER A 95 -11.904 -9.485 -47.926 1.00 82.60 H new ATOM 722 N PRO A 96 -15.663 -5.848 -47.562 1.00 24.70 N ATOM 723 CA PRO A 96 -17.081 -5.779 -47.959 1.00 17.79 C ATOM 724 C PRO A 96 -17.275 -6.635 -49.202 1.00 12.61 C ATOM 725 O PRO A 96 -16.599 -6.311 -50.193 1.00 17.13 O ATOM 726 CB PRO A 96 -17.367 -4.303 -48.145 1.00 14.16 C ATOM 727 CG PRO A 96 -16.075 -3.575 -47.970 1.00 21.87 C ATOM 728 CD PRO A 96 -15.078 -4.526 -47.333 1.00 17.30 C ATOM 0 HA PRO A 96 -17.707 -6.133 -47.309 1.00 17.79 H new ATOM 0 HB2 PRO A 96 -17.738 -4.135 -49.025 1.00 14.16 H new ATOM 0 HB3 PRO A 96 -18.022 -3.997 -47.498 1.00 14.16 H new ATOM 0 HG2 PRO A 96 -15.744 -3.262 -48.826 1.00 21.87 H new ATOM 0 HG3 PRO A 96 -16.201 -2.792 -47.411 1.00 21.87 H new ATOM 0 HD2 PRO A 96 -14.201 -4.449 -47.741 1.00 17.30 H new ATOM 0 HD3 PRO A 96 -14.967 -4.345 -46.387 1.00 17.30 H new ATOM 729 N ALA A 97 -18.142 -7.612 -49.152 1.00 11.62 N ATOM 730 CA ALA A 97 -18.375 -8.501 -50.289 1.00 16.53 C ATOM 731 C ALA A 97 -18.967 -7.848 -51.537 1.00 29.13 C ATOM 732 O ALA A 97 -18.750 -8.402 -52.635 1.00 17.99 O ATOM 733 CB ALA A 97 -19.265 -9.673 -49.827 1.00 12.20 C ATOM 0 H ALA A 97 -18.621 -7.791 -48.461 1.00 11.62 H new ATOM 0 HA ALA A 97 -17.497 -8.801 -50.573 1.00 16.53 H new ATOM 0 HB1 ALA A 97 -19.427 -10.271 -50.574 1.00 12.20 H new ATOM 0 HB2 ALA A 97 -18.818 -10.158 -49.116 1.00 12.20 H new ATOM 0 HB3 ALA A 97 -20.111 -9.328 -49.500 1.00 12.20 H new ATOM 734 N ASN A 98 -19.667 -6.729 -51.430 1.00 13.81 N ATOM 735 CA ASN A 98 -20.309 -6.070 -52.579 1.00 10.84 C ATOM 736 C ASN A 98 -19.564 -4.850 -53.111 1.00 10.35 C ATOM 737 O ASN A 98 -20.107 -4.146 -53.981 1.00 12.82 O ATOM 738 CB ASN A 98 -21.769 -5.758 -52.215 1.00 10.21 C ATOM 739 CG ASN A 98 -21.836 -4.711 -51.106 1.00 13.23 C ATOM 740 OD1 ASN A 98 -20.988 -4.686 -50.224 1.00 13.12 O ATOM 741 ND2 ASN A 98 -22.850 -3.860 -51.121 1.00 13.05 N ATOM 0 H ASN A 98 -19.789 -6.319 -50.684 1.00 13.81 H new ATOM 0 HA ASN A 98 -20.281 -6.689 -53.325 1.00 10.84 H new ATOM 0 HB2 ASN A 98 -22.241 -5.436 -52.999 1.00 10.21 H new ATOM 0 HB3 ASN A 98 -22.216 -6.569 -51.928 1.00 10.21 H new ATOM 0 HD21 ASN A 98 -22.925 -3.270 -50.500 1.00 13.05 H new ATOM 0 HD22 ASN A 98 -23.433 -3.897 -51.752 1.00 13.05 H new ATOM 742 N LEU A 99 -18.357 -4.639 -52.616 1.00 10.55 N ATOM 743 CA LEU A 99 -17.564 -3.479 -53.052 1.00 12.22 C ATOM 744 C LEU A 99 -17.229 -3.481 -54.547 1.00 15.49 C ATOM 745 O LEU A 99 -17.394 -2.427 -55.176 1.00 14.91 O ATOM 746 CB LEU A 99 -16.309 -3.314 -52.164 1.00 12.51 C ATOM 747 CG LEU A 99 -15.404 -2.173 -52.611 1.00 17.50 C ATOM 748 CD1 LEU A 99 -16.093 -0.820 -52.453 1.00 23.02 C ATOM 749 CD2 LEU A 99 -14.135 -2.207 -51.771 1.00 27.70 C ATOM 0 H LEU A 99 -17.974 -5.143 -52.034 1.00 10.55 H new ATOM 0 HA LEU A 99 -18.126 -2.698 -52.932 1.00 12.22 H new ATOM 0 HB2 LEU A 99 -16.586 -3.159 -51.248 1.00 12.51 H new ATOM 0 HB3 LEU A 99 -15.804 -4.142 -52.171 1.00 12.51 H new ATOM 0 HG LEU A 99 -15.194 -2.287 -53.551 1.00 17.50 H new ATOM 0 HD11 LEU A 99 -15.494 -0.115 -52.745 1.00 23.02 H new ATOM 0 HD12 LEU A 99 -16.899 -0.802 -52.992 1.00 23.02 H new ATOM 0 HD13 LEU A 99 -16.325 -0.681 -51.521 1.00 23.02 H new ATOM 0 HD21 LEU A 99 -13.547 -1.485 -52.044 1.00 27.70 H new ATOM 0 HD22 LEU A 99 -14.364 -2.101 -50.834 1.00 27.70 H new ATOM 0 HD23 LEU A 99 -13.685 -3.057 -51.899 1.00 27.70 H new ATOM 750 N ASP A 100 -16.776 -4.586 -55.109 1.00 12.83 N ATOM 751 CA ASP A 100 -16.414 -4.697 -56.525 1.00 15.79 C ATOM 752 C ASP A 100 -17.674 -4.488 -57.377 1.00 10.82 C ATOM 753 O ASP A 100 -17.575 -3.853 -58.452 1.00 13.48 O ATOM 754 CB ASP A 100 -15.654 -5.978 -56.854 1.00 15.66 C ATOM 755 CG ASP A 100 -14.270 -6.066 -56.227 1.00 26.70 C ATOM 756 OD1 ASP A 100 -13.508 -5.093 -56.264 1.00 30.22 O ATOM 757 OD2 ASP A 100 -14.017 -7.173 -55.690 1.00 34.56 O ATOM 0 H ASP A 100 -16.664 -5.318 -54.671 1.00 12.83 H new ATOM 0 HA ASP A 100 -15.779 -3.997 -56.743 1.00 15.79 H new ATOM 0 HB2 ASP A 100 -16.180 -6.738 -56.559 1.00 15.66 H new ATOM 0 HB3 ASP A 100 -15.566 -6.051 -57.817 1.00 15.66 H new ATOM 758 N GLN A 101 -18.771 -5.011 -56.878 1.00 10.98 N ATOM 759 CA GLN A 101 -20.059 -4.868 -57.589 1.00 11.37 C ATOM 760 C GLN A 101 -20.403 -3.376 -57.684 1.00 16.10 C ATOM 761 O GLN A 101 -20.792 -2.868 -58.744 1.00 17.08 O ATOM 762 CB GLN A 101 -21.139 -5.706 -56.918 1.00 12.17 C ATOM 763 CG GLN A 101 -22.520 -5.389 -57.430 1.00 11.55 C ATOM 764 CD GLN A 101 -23.277 -4.379 -56.587 1.00 21.66 C ATOM 765 OE1 GLN A 101 -23.254 -4.568 -55.294 1.00 22.00 O flip ATOM 766 NE2 GLN A 101 -23.915 -3.450 -57.075 1.00 13.74 N flip ATOM 0 H GLN A 101 -18.810 -5.450 -56.140 1.00 10.98 H new ATOM 0 HA GLN A 101 -19.994 -5.211 -58.494 1.00 11.37 H new ATOM 0 HB2 GLN A 101 -20.951 -6.646 -57.064 1.00 12.17 H new ATOM 0 HB3 GLN A 101 -21.111 -5.557 -55.960 1.00 12.17 H new ATOM 0 HG2 GLN A 101 -22.449 -5.051 -58.336 1.00 11.55 H new ATOM 0 HG3 GLN A 101 -23.035 -6.210 -57.473 1.00 11.55 H new ATOM 0 HE21 GLN A 101 -23.923 -3.335 -57.927 1.00 13.74 H new ATOM 0 HE22 GLN A 101 -24.354 -2.915 -56.565 1.00 13.74 H new ATOM 767 N ILE A 102 -20.286 -2.669 -56.585 1.00 12.36 N ATOM 768 CA ILE A 102 -20.572 -1.217 -56.505 1.00 14.24 C ATOM 769 C ILE A 102 -19.644 -0.422 -57.417 1.00 12.19 C ATOM 770 O ILE A 102 -20.105 0.482 -58.129 1.00 15.62 O ATOM 771 CB ILE A 102 -20.518 -0.673 -55.030 1.00 14.95 C ATOM 772 CG1 ILE A 102 -21.754 -1.122 -54.217 1.00 14.28 C ATOM 773 CG2 ILE A 102 -20.342 0.878 -54.981 1.00 16.73 C ATOM 774 CD1 ILE A 102 -21.492 -0.875 -52.699 1.00 13.85 C ATOM 0 H ILE A 102 -20.034 -3.009 -55.836 1.00 12.36 H new ATOM 0 HA ILE A 102 -21.483 -1.094 -56.816 1.00 14.24 H new ATOM 0 HB ILE A 102 -19.732 -1.062 -54.615 1.00 14.95 H new ATOM 0 HG12 ILE A 102 -22.539 -0.630 -54.504 1.00 14.28 H new ATOM 0 HG13 ILE A 102 -21.934 -2.062 -54.376 1.00 14.28 H new ATOM 0 HG21 ILE A 102 -20.314 1.172 -54.057 1.00 16.73 H new ATOM 0 HG22 ILE A 102 -19.515 1.124 -55.424 1.00 16.73 H new ATOM 0 HG23 ILE A 102 -21.088 1.303 -55.432 1.00 16.73 H new ATOM 0 HD11 ILE A 102 -22.266 -1.156 -52.187 1.00 13.85 H new ATOM 0 HD12 ILE A 102 -20.716 -1.385 -52.417 1.00 13.85 H new ATOM 0 HD13 ILE A 102 -21.330 0.069 -52.548 1.00 13.85 H new ATOM 775 N VAL A 103 -18.356 -0.728 -57.435 1.00 12.90 N ATOM 776 CA VAL A 103 -17.349 -0.056 -58.282 1.00 17.48 C ATOM 777 C VAL A 103 -17.727 -0.235 -59.755 1.00 15.63 C ATOM 778 O VAL A 103 -17.591 0.704 -60.570 1.00 15.98 O ATOM 779 CB VAL A 103 -15.892 -0.431 -57.912 1.00 19.13 C ATOM 780 CG1 VAL A 103 -14.860 0.056 -58.935 1.00 18.42 C ATOM 781 CG2 VAL A 103 -15.447 0.046 -56.534 1.00 12.14 C ATOM 0 H VAL A 103 -18.022 -1.350 -56.944 1.00 12.90 H new ATOM 0 HA VAL A 103 -17.363 0.898 -58.106 1.00 17.48 H new ATOM 0 HB VAL A 103 -15.920 -1.401 -57.909 1.00 19.13 H new ATOM 0 HG11 VAL A 103 -13.971 -0.208 -58.649 1.00 18.42 H new ATOM 0 HG12 VAL A 103 -15.051 -0.338 -59.801 1.00 18.42 H new ATOM 0 HG13 VAL A 103 -14.903 1.023 -59.004 1.00 18.42 H new ATOM 0 HG21 VAL A 103 -14.529 -0.226 -56.378 1.00 12.14 H new ATOM 0 HG22 VAL A 103 -15.509 1.013 -56.491 1.00 12.14 H new ATOM 0 HG23 VAL A 103 -16.020 -0.345 -55.856 1.00 12.14 H new ATOM 782 N SER A 104 -18.220 -1.380 -60.149 1.00 12.56 N ATOM 783 CA SER A 104 -18.639 -1.733 -61.487 1.00 13.50 C ATOM 784 C SER A 104 -19.996 -1.186 -61.927 1.00 24.10 C ATOM 785 O SER A 104 -20.184 -1.092 -63.141 1.00 19.59 O ATOM 786 CB SER A 104 -18.813 -3.286 -61.629 1.00 13.38 C ATOM 787 OG SER A 104 -17.518 -3.821 -61.807 1.00 37.88 O ATOM 0 H SER A 104 -18.330 -2.031 -59.597 1.00 12.56 H new ATOM 0 HA SER A 104 -17.934 -1.348 -62.031 1.00 13.50 H new ATOM 0 HB2 SER A 104 -19.235 -3.660 -60.840 1.00 13.38 H new ATOM 0 HB3 SER A 104 -19.382 -3.502 -62.384 1.00 13.38 H new ATOM 0 HG SER A 104 -17.068 -3.704 -61.108 1.00 37.88 H new ATOM 788 N ALA A 105 -20.891 -0.895 -61.008 1.00 12.71 N ATOM 789 CA ALA A 105 -22.247 -0.443 -61.313 1.00 13.81 C ATOM 790 C ALA A 105 -22.315 0.842 -62.147 1.00 16.25 C ATOM 791 O ALA A 105 -21.419 1.691 -62.115 1.00 17.38 O ATOM 792 CB ALA A 105 -23.026 -0.334 -60.001 1.00 13.29 C ATOM 0 H ALA A 105 -20.731 -0.954 -60.165 1.00 12.71 H new ATOM 0 HA ALA A 105 -22.660 -1.105 -61.889 1.00 13.81 H new ATOM 0 HB1 ALA A 105 -23.930 -0.035 -60.185 1.00 13.29 H new ATOM 0 HB2 ALA A 105 -23.055 -1.202 -59.569 1.00 13.29 H new ATOM 0 HB3 ALA A 105 -22.588 0.304 -59.416 1.00 13.29 H new ATOM 793 N LYS A 106 -23.422 0.909 -62.888 1.00 19.02 N ATOM 794 CA LYS A 106 -23.671 2.096 -63.734 1.00 21.62 C ATOM 795 C LYS A 106 -23.958 3.286 -62.816 1.00 18.10 C ATOM 796 O LYS A 106 -24.789 3.168 -61.890 1.00 20.36 O ATOM 797 CB LYS A 106 -24.849 1.846 -64.675 1.00 21.49 C ATOM 798 CG LYS A 106 -25.239 3.101 -65.471 1.00 24.90 C ATOM 799 CD LYS A 106 -25.316 2.894 -66.963 1.00 80.02 C ATOM 800 CE LYS A 106 -26.286 3.814 -67.672 1.00 45.91 C ATOM 801 NZ LYS A 106 -27.688 3.363 -67.451 1.00 91.86 N ATOM 0 H LYS A 106 -24.029 0.301 -62.921 1.00 19.02 H new ATOM 0 HA LYS A 106 -22.893 2.282 -64.282 1.00 21.62 H new ATOM 0 HB2 LYS A 106 -24.621 1.133 -65.292 1.00 21.49 H new ATOM 0 HB3 LYS A 106 -25.613 1.543 -64.160 1.00 21.49 H new ATOM 0 HG2 LYS A 106 -26.100 3.417 -65.155 1.00 24.90 H new ATOM 0 HG3 LYS A 106 -24.594 3.802 -65.286 1.00 24.90 H new ATOM 0 HD2 LYS A 106 -24.432 3.020 -67.342 1.00 80.02 H new ATOM 0 HD3 LYS A 106 -25.572 1.975 -67.138 1.00 80.02 H new ATOM 0 HE2 LYS A 106 -26.177 4.721 -67.346 1.00 45.91 H new ATOM 0 HE3 LYS A 106 -26.091 3.829 -68.622 1.00 45.91 H new ATOM 0 HZ1 LYS A 106 -28.247 3.912 -67.873 1.00 91.86 H new ATOM 0 HZ2 LYS A 106 -27.788 2.538 -67.768 1.00 91.86 H new ATOM 0 HZ3 LYS A 106 -27.868 3.369 -66.579 1.00 91.86 H new ATOM 802 N LYS A 107 -23.263 4.367 -63.084 1.00 19.57 N ATOM 803 CA LYS A 107 -23.373 5.637 -62.343 1.00 19.50 C ATOM 804 C LYS A 107 -22.683 6.737 -63.160 1.00 38.48 C ATOM 805 O LYS A 107 -21.866 6.468 -64.060 1.00 23.07 O ATOM 806 CB LYS A 107 -22.776 5.625 -60.943 1.00 16.21 C ATOM 807 CG LYS A 107 -21.327 5.207 -60.818 1.00 15.04 C ATOM 808 CD LYS A 107 -20.899 4.949 -59.379 1.00 14.53 C ATOM 809 CE LYS A 107 -21.066 3.513 -58.919 1.00 14.03 C ATOM 810 NZ LYS A 107 -20.197 2.629 -59.760 1.00 14.41 N ATOM 0 H LYS A 107 -22.688 4.399 -63.723 1.00 19.57 H new ATOM 0 HA LYS A 107 -24.323 5.795 -62.224 1.00 19.50 H new ATOM 0 HB2 LYS A 107 -22.866 6.515 -60.569 1.00 16.21 H new ATOM 0 HB3 LYS A 107 -23.310 5.031 -60.393 1.00 16.21 H new ATOM 0 HG2 LYS A 107 -21.182 4.403 -61.341 1.00 15.04 H new ATOM 0 HG3 LYS A 107 -20.763 5.899 -61.198 1.00 15.04 H new ATOM 0 HD2 LYS A 107 -19.968 5.202 -59.281 1.00 14.53 H new ATOM 0 HD3 LYS A 107 -21.413 5.526 -58.793 1.00 14.53 H new ATOM 0 HE2 LYS A 107 -20.823 3.430 -57.984 1.00 14.03 H new ATOM 0 HE3 LYS A 107 -21.994 3.242 -58.996 1.00 14.03 H new ATOM 0 HZ1 LYS A 107 -19.915 1.939 -59.273 1.00 14.41 H new ATOM 0 HZ2 LYS A 107 -20.664 2.329 -60.456 1.00 14.41 H new ATOM 0 HZ3 LYS A 107 -19.495 3.092 -60.051 1.00 14.41 H new ATOM 811 N PRO A 108 -23.037 7.973 -62.836 1.00 31.58 N ATOM 812 CA PRO A 108 -22.472 9.152 -63.503 1.00 25.93 C ATOM 813 C PRO A 108 -20.955 9.100 -63.414 1.00 25.11 C ATOM 814 O PRO A 108 -20.366 8.654 -62.419 1.00 20.86 O ATOM 815 CB PRO A 108 -23.094 10.358 -62.811 1.00 19.23 C ATOM 816 CG PRO A 108 -24.327 9.814 -62.150 1.00 33.14 C ATOM 817 CD PRO A 108 -23.991 8.366 -61.788 1.00 26.76 C ATOM 0 HA PRO A 108 -22.672 9.197 -64.451 1.00 25.93 H new ATOM 0 HB2 PRO A 108 -22.486 10.745 -62.162 1.00 19.23 H new ATOM 0 HB3 PRO A 108 -23.313 11.057 -63.447 1.00 19.23 H new ATOM 0 HG2 PRO A 108 -24.555 10.328 -61.359 1.00 33.14 H new ATOM 0 HG3 PRO A 108 -25.091 9.857 -62.746 1.00 33.14 H new ATOM 0 HD2 PRO A 108 -23.599 8.299 -60.903 1.00 26.76 H new ATOM 0 HD3 PRO A 108 -24.781 7.803 -61.792 1.00 26.76 H new ATOM 818 N LYS A 109 -20.342 9.601 -64.479 1.00 22.43 N ATOM 819 CA LYS A 109 -18.878 9.640 -64.593 1.00 20.02 C ATOM 820 C LYS A 109 -18.177 10.355 -63.452 1.00 18.49 C ATOM 821 O LYS A 109 -17.106 9.947 -62.950 1.00 22.20 O ATOM 822 CB LYS A 109 -18.476 10.277 -65.930 1.00 42.61 C ATOM 823 CG LYS A 109 -16.963 10.464 -66.087 1.00 42.22 C ATOM 824 CD LYS A 109 -16.526 10.327 -67.531 1.00 60.44 C ATOM 825 CE LYS A 109 -15.660 11.481 -67.987 1.00108.15 C ATOM 826 NZ ALYS A 109 -15.626 11.570 -69.474 0.50 37.18 N ATOM 827 NZ BLYS A 109 -14.496 11.660 -67.086 0.50 39.26 N ATOM 0 H LYS A 109 -20.757 9.929 -65.158 1.00 22.43 H new ATOM 0 HA LYS A 109 -18.585 8.716 -64.548 1.00 20.02 H new ATOM 0 HB2 LYS A 109 -18.803 9.723 -66.656 1.00 42.61 H new ATOM 0 HB3 LYS A 109 -18.912 11.140 -66.013 1.00 42.61 H new ATOM 0 HG2 LYS A 109 -16.709 11.339 -65.754 1.00 42.22 H new ATOM 0 HG3 LYS A 109 -16.498 9.808 -65.545 1.00 42.22 H new ATOM 0 HD2 LYS A 109 -16.037 9.497 -67.640 1.00 60.44 H new ATOM 0 HD3 LYS A 109 -17.310 10.271 -68.099 1.00 60.44 H new ATOM 0 HE2ALYS A 109 -16.001 12.311 -67.618 0.50108.15 H new ATOM 0 HE2BLYS A 109 -15.351 11.320 -68.892 0.50108.15 H new ATOM 0 HE3ALYS A 109 -14.759 11.368 -67.646 0.50108.15 H new ATOM 0 HE3BLYS A 109 -16.186 12.296 -68.008 0.50108.15 H new ATOM 0 HZ1ALYS A 109 -15.112 12.254 -69.719 0.50 39.26 H new ATOM 0 HZ1BLYS A 109 -13.771 11.839 -67.570 0.50 39.26 H new ATOM 0 HZ2ALYS A 109 -15.294 10.815 -69.809 0.50 39.26 H new ATOM 0 HZ2BLYS A 109 -14.654 12.335 -66.527 0.50 39.26 H new ATOM 0 HZ3ALYS A 109 -16.451 11.694 -69.783 0.50 39.26 H new ATOM 0 HZ3BLYS A 109 -14.364 10.914 -66.619 0.50 39.26 H new ATOM 828 N ILE A 110 -18.804 11.471 -63.085 1.00 23.02 N ATOM 829 CA ILE A 110 -18.249 12.303 -61.988 1.00 22.88 C ATOM 830 C ILE A 110 -18.289 11.507 -60.690 1.00 20.64 C ATOM 831 O ILE A 110 -17.340 11.505 -59.883 1.00 20.58 O ATOM 832 CB ILE A 110 -18.967 13.693 -61.980 1.00 31.68 C ATOM 833 CG1 ILE A 110 -18.512 14.558 -60.792 1.00 30.95 C ATOM 834 CG2 ILE A 110 -20.507 13.506 -62.040 1.00 32.39 C ATOM 835 CD1 ILE A 110 -17.027 14.505 -60.351 1.00 38.62 C ATOM 0 H ILE A 110 -19.530 11.766 -63.439 1.00 23.02 H new ATOM 0 HA ILE A 110 -17.311 12.515 -62.117 1.00 22.88 H new ATOM 0 HB ILE A 110 -18.707 14.182 -62.777 1.00 31.68 H new ATOM 0 HG12 ILE A 110 -18.722 15.481 -61.004 1.00 30.95 H new ATOM 0 HG13 ILE A 110 -19.054 14.312 -60.026 1.00 30.95 H new ATOM 0 HG21 ILE A 110 -20.939 14.374 -62.034 1.00 32.39 H new ATOM 0 HG22 ILE A 110 -20.744 13.033 -62.853 1.00 32.39 H new ATOM 0 HG23 ILE A 110 -20.801 12.994 -61.270 1.00 32.39 H new ATOM 0 HD11 ILE A 110 -16.892 15.099 -59.596 1.00 38.62 H new ATOM 0 HD12 ILE A 110 -16.798 13.598 -60.094 1.00 38.62 H new ATOM 0 HD13 ILE A 110 -16.460 14.785 -61.087 1.00 38.62 H new ATOM 836 N VAL A 111 -19.406 10.804 -60.529 1.00 19.71 N ATOM 837 CA VAL A 111 -19.581 9.959 -59.337 1.00 12.27 C ATOM 838 C VAL A 111 -18.482 8.903 -59.374 1.00 15.80 C ATOM 839 O VAL A 111 -17.800 8.623 -58.379 1.00 17.55 O ATOM 840 CB VAL A 111 -21.000 9.356 -59.321 1.00 14.57 C ATOM 841 CG1 VAL A 111 -21.113 8.242 -58.298 1.00 14.48 C ATOM 842 CG2 VAL A 111 -22.029 10.457 -59.074 1.00 16.11 C ATOM 0 H VAL A 111 -20.065 10.797 -61.082 1.00 19.71 H new ATOM 0 HA VAL A 111 -19.501 10.467 -58.515 1.00 12.27 H new ATOM 0 HB VAL A 111 -21.180 8.960 -60.188 1.00 14.57 H new ATOM 0 HG11 VAL A 111 -22.014 7.882 -58.310 1.00 14.48 H new ATOM 0 HG12 VAL A 111 -20.481 7.538 -58.514 1.00 14.48 H new ATOM 0 HG13 VAL A 111 -20.917 8.592 -57.415 1.00 14.48 H new ATOM 0 HG21 VAL A 111 -22.919 10.072 -59.065 1.00 16.11 H new ATOM 0 HG22 VAL A 111 -21.852 10.880 -58.219 1.00 16.11 H new ATOM 0 HG23 VAL A 111 -21.971 11.119 -59.780 1.00 16.11 H new ATOM 843 N GLN A 112 -18.380 8.305 -60.560 1.00 21.52 N ATOM 844 CA GLN A 112 -17.406 7.210 -60.773 1.00 13.85 C ATOM 845 C GLN A 112 -16.031 7.721 -60.408 1.00 17.86 C ATOM 846 O GLN A 112 -15.258 7.114 -59.657 1.00 16.52 O ATOM 847 CB GLN A 112 -17.490 6.572 -62.170 1.00 15.83 C ATOM 848 CG GLN A 112 -16.450 5.446 -62.284 1.00 17.16 C ATOM 849 CD GLN A 112 -16.896 4.260 -61.449 1.00 24.91 C ATOM 850 OE1 GLN A 112 -18.096 4.045 -61.268 1.00 21.23 O ATOM 851 NE2 GLN A 112 -15.947 3.482 -60.940 1.00 21.83 N ATOM 0 H GLN A 112 -18.853 8.508 -61.249 1.00 21.52 H new ATOM 0 HA GLN A 112 -17.627 6.469 -60.188 1.00 13.85 H new ATOM 0 HB2 GLN A 112 -18.381 6.219 -62.322 1.00 15.83 H new ATOM 0 HB3 GLN A 112 -17.331 7.243 -62.852 1.00 15.83 H new ATOM 0 HG2 GLN A 112 -16.347 5.181 -63.211 1.00 17.16 H new ATOM 0 HG3 GLN A 112 -15.584 5.760 -61.981 1.00 17.16 H new ATOM 0 HE21 GLN A 112 -15.119 3.662 -61.087 1.00 21.83 H new ATOM 0 HE22 GLN A 112 -16.161 2.798 -60.464 1.00 21.83 H new ATOM 852 N GLU A 113 -15.718 8.897 -60.939 1.00 17.98 N ATOM 853 CA GLU A 113 -14.388 9.460 -60.630 1.00 16.89 C ATOM 854 C GLU A 113 -14.207 9.723 -59.156 1.00 24.31 C ATOM 855 O GLU A 113 -13.105 9.351 -58.695 1.00 21.39 O ATOM 856 CB GLU A 113 -14.066 10.674 -61.519 1.00 22.58 C ATOM 857 CG GLU A 113 -13.196 10.175 -62.685 1.00 99.82 C ATOM 858 CD GLU A 113 -13.240 10.904 -63.984 1.00108.15 C ATOM 859 OE1 GLU A 113 -13.469 12.130 -63.871 1.00 78.74 O ATOM 860 OE2 GLU A 113 -13.050 10.295 -65.032 1.00106.46 O ATOM 0 H GLU A 113 -16.221 9.369 -61.452 1.00 17.98 H new ATOM 0 HA GLU A 113 -13.726 8.786 -60.851 1.00 16.89 H new ATOM 0 HB2 GLU A 113 -14.882 11.080 -61.851 1.00 22.58 H new ATOM 0 HB3 GLU A 113 -13.598 11.355 -61.011 1.00 22.58 H new ATOM 0 HG2 GLU A 113 -12.274 10.172 -62.382 1.00 99.82 H new ATOM 0 HG3 GLU A 113 -13.440 9.253 -62.859 1.00 99.82 H new ATOM 861 N ARG A 114 -15.182 10.250 -58.429 1.00 23.48 N ATOM 862 CA ARG A 114 -15.010 10.490 -56.979 1.00 14.48 C ATOM 863 C ARG A 114 -14.891 9.199 -56.179 1.00 13.28 C ATOM 864 O ARG A 114 -14.099 9.146 -55.220 1.00 18.75 O ATOM 865 CB ARG A 114 -16.145 11.351 -56.424 1.00 23.59 C ATOM 866 CG ARG A 114 -16.072 12.784 -56.886 1.00 21.32 C ATOM 867 CD ARG A 114 -16.893 13.662 -56.012 1.00 23.82 C ATOM 868 NE ARG A 114 -16.577 15.037 -56.418 1.00 24.38 N ATOM 869 CZ ARG A 114 -17.343 16.056 -56.038 1.00 21.90 C ATOM 870 NH1 ARG A 114 -18.396 15.832 -55.275 1.00 20.31 N ATOM 871 NH2 ARG A 114 -17.013 17.275 -56.436 1.00 17.75 N ATOM 0 H ARG A 114 -15.950 10.478 -58.742 1.00 23.48 H new ATOM 0 HA ARG A 114 -14.172 10.969 -56.881 1.00 14.48 H new ATOM 0 HB2 ARG A 114 -16.995 10.971 -56.695 1.00 23.59 H new ATOM 0 HB3 ARG A 114 -16.119 11.327 -55.455 1.00 23.59 H new ATOM 0 HG2 ARG A 114 -15.150 13.084 -56.878 1.00 21.32 H new ATOM 0 HG3 ARG A 114 -16.384 12.849 -57.802 1.00 21.32 H new ATOM 0 HD2 ARG A 114 -17.839 13.475 -56.121 1.00 23.82 H new ATOM 0 HD3 ARG A 114 -16.681 13.518 -55.076 1.00 23.82 H new ATOM 0 HE ARG A 114 -15.887 15.186 -56.909 1.00 24.38 H new ATOM 0 HH11 ARG A 114 -18.584 15.031 -55.026 1.00 20.31 H new ATOM 0 HH12 ARG A 114 -18.894 16.487 -55.027 1.00 20.31 H new ATOM 0 HH21 ARG A 114 -16.318 17.393 -56.928 1.00 17.75 H new ATOM 0 HH22 ARG A 114 -17.494 17.949 -56.202 1.00 17.75 H new ATOM 872 N LEU A 115 -15.654 8.180 -56.542 1.00 18.14 N ATOM 873 CA LEU A 115 -15.636 6.859 -55.898 1.00 15.82 C ATOM 874 C LEU A 115 -14.232 6.218 -55.981 1.00 16.96 C ATOM 875 O LEU A 115 -13.704 5.671 -54.994 1.00 23.71 O ATOM 876 CB LEU A 115 -16.728 5.974 -56.531 1.00 20.29 C ATOM 877 CG LEU A 115 -16.767 4.523 -56.036 1.00 17.81 C ATOM 878 CD1 LEU A 115 -16.951 4.536 -54.522 1.00 16.59 C ATOM 879 CD2 LEU A 115 -17.904 3.788 -56.746 1.00 17.39 C ATOM 0 H LEU A 115 -16.217 8.232 -57.190 1.00 18.14 H new ATOM 0 HA LEU A 115 -15.833 6.953 -54.953 1.00 15.82 H new ATOM 0 HB2 LEU A 115 -17.592 6.381 -56.361 1.00 20.29 H new ATOM 0 HB3 LEU A 115 -16.601 5.968 -57.493 1.00 20.29 H new ATOM 0 HG LEU A 115 -15.941 4.056 -56.238 1.00 17.81 H new ATOM 0 HD11 LEU A 115 -16.978 3.625 -54.191 1.00 16.59 H new ATOM 0 HD12 LEU A 115 -16.210 5.007 -54.110 1.00 16.59 H new ATOM 0 HD13 LEU A 115 -17.782 4.984 -54.301 1.00 16.59 H new ATOM 0 HD21 LEU A 115 -17.937 2.868 -56.439 1.00 17.39 H new ATOM 0 HD22 LEU A 115 -18.747 4.225 -56.546 1.00 17.39 H new ATOM 0 HD23 LEU A 115 -17.751 3.803 -57.704 1.00 17.39 H new ATOM 880 N GLU A 116 -13.649 6.293 -57.175 1.00 22.61 N ATOM 881 CA GLU A 116 -12.319 5.729 -57.459 1.00 21.87 C ATOM 882 C GLU A 116 -11.271 6.381 -56.582 1.00 13.71 C ATOM 883 O GLU A 116 -10.415 5.636 -56.059 1.00 23.32 O ATOM 884 CB GLU A 116 -12.026 5.741 -58.964 1.00 27.99 C ATOM 885 CG GLU A 116 -12.537 4.458 -59.660 1.00 30.45 C ATOM 886 CD GLU A 116 -12.549 4.542 -61.151 1.00 42.43 C ATOM 887 OE1 GLU A 116 -11.874 5.479 -61.623 1.00 70.93 O ATOM 888 OE2 GLU A 116 -13.198 3.753 -61.801 1.00 37.75 O ATOM 0 H GLU A 116 -14.014 6.676 -57.853 1.00 22.61 H new ATOM 0 HA GLU A 116 -12.296 4.789 -57.219 1.00 21.87 H new ATOM 0 HB2 GLU A 116 -12.445 6.517 -59.369 1.00 27.99 H new ATOM 0 HB3 GLU A 116 -11.070 5.827 -59.107 1.00 27.99 H new ATOM 0 HG2 GLU A 116 -11.979 3.711 -59.391 1.00 30.45 H new ATOM 0 HG3 GLU A 116 -13.436 4.268 -59.348 1.00 30.45 H new ATOM 889 N LYS A 117 -11.396 7.671 -56.360 1.00 21.71 N ATOM 890 CA LYS A 117 -10.496 8.407 -55.464 1.00 26.83 C ATOM 891 C LYS A 117 -10.761 8.092 -53.991 1.00 26.59 C ATOM 892 O LYS A 117 -9.719 7.890 -53.330 1.00 29.56 O ATOM 893 CB LYS A 117 -10.566 9.903 -55.675 1.00 25.86 C ATOM 894 CG LYS A 117 -9.257 10.633 -55.348 1.00 46.32 C ATOM 895 CD LYS A 117 -9.296 12.054 -55.911 1.00 77.89 C ATOM 896 CE LYS A 117 -7.947 12.735 -55.734 1.00103.37 C ATOM 897 NZ LYS A 117 -7.355 12.285 -54.441 1.00 92.82 N ATOM 0 H LYS A 117 -12.005 8.158 -56.721 1.00 21.71 H new ATOM 0 HA LYS A 117 -9.603 8.105 -55.693 1.00 26.83 H new ATOM 0 HB2 LYS A 117 -10.804 10.081 -56.598 1.00 25.86 H new ATOM 0 HB3 LYS A 117 -11.276 10.267 -55.124 1.00 25.86 H new ATOM 0 HG2 LYS A 117 -9.125 10.661 -54.387 1.00 46.32 H new ATOM 0 HG3 LYS A 117 -8.505 10.149 -55.724 1.00 46.32 H new ATOM 0 HD2 LYS A 117 -9.530 12.029 -56.852 1.00 77.89 H new ATOM 0 HD3 LYS A 117 -9.985 12.567 -55.461 1.00 77.89 H new ATOM 0 HE2 LYS A 117 -7.357 12.511 -56.471 1.00103.37 H new ATOM 0 HE3 LYS A 117 -8.053 13.699 -55.739 1.00103.37 H new ATOM 0 HZ1 LYS A 117 -6.693 12.834 -54.210 1.00 92.82 H new ATOM 0 HZ2 LYS A 117 -7.981 12.293 -53.809 1.00 92.82 H new ATOM 0 HZ3 LYS A 117 -7.037 11.459 -54.532 1.00 92.82 H new ATOM 898 N VAL A 118 -11.983 8.006 -53.489 1.00 29.91 N ATOM 899 CA VAL A 118 -12.213 7.689 -52.067 1.00 36.80 C ATOM 900 C VAL A 118 -11.596 6.333 -51.702 1.00 30.86 C ATOM 901 O VAL A 118 -11.047 6.180 -50.604 1.00 51.49 O ATOM 902 CB VAL A 118 -13.670 7.735 -51.562 1.00 35.10 C ATOM 903 CG1 VAL A 118 -14.307 9.098 -51.797 1.00 34.24 C ATOM 904 CG2 VAL A 118 -14.551 6.627 -52.072 1.00 32.34 C ATOM 0 H VAL A 118 -12.701 8.126 -53.947 1.00 29.91 H new ATOM 0 HA VAL A 118 -11.771 8.421 -51.610 1.00 36.80 H new ATOM 0 HB VAL A 118 -13.601 7.585 -50.606 1.00 35.10 H new ATOM 0 HG11 VAL A 118 -15.220 9.090 -51.468 1.00 34.24 H new ATOM 0 HG12 VAL A 118 -13.800 9.778 -51.326 1.00 34.24 H new ATOM 0 HG13 VAL A 118 -14.308 9.296 -52.747 1.00 34.24 H new ATOM 0 HG21 VAL A 118 -15.444 6.730 -51.708 1.00 32.34 H new ATOM 0 HG22 VAL A 118 -14.590 6.664 -53.040 1.00 32.34 H new ATOM 0 HG23 VAL A 118 -14.187 5.771 -51.796 1.00 32.34 H new ATOM 905 N ILE A 119 -11.738 5.396 -52.610 1.00 30.11 N ATOM 906 CA ILE A 119 -11.227 4.031 -52.515 1.00 45.49 C ATOM 907 C ILE A 119 -9.700 4.021 -52.525 1.00 72.53 C ATOM 908 O ILE A 119 -9.096 3.048 -52.040 1.00 63.05 O ATOM 909 CB ILE A 119 -11.870 3.141 -53.638 1.00 24.56 C ATOM 910 CG1 ILE A 119 -13.412 3.189 -53.473 1.00 32.54 C ATOM 911 CG2 ILE A 119 -11.382 1.680 -53.663 1.00 42.62 C ATOM 912 CD1 ILE A 119 -14.120 2.208 -54.441 1.00 28.52 C ATOM 0 H ILE A 119 -12.159 5.538 -53.346 1.00 30.11 H new ATOM 0 HA ILE A 119 -11.487 3.641 -51.666 1.00 45.49 H new ATOM 0 HB ILE A 119 -11.587 3.512 -54.489 1.00 24.56 H new ATOM 0 HG12 ILE A 119 -13.647 2.968 -52.558 1.00 32.54 H new ATOM 0 HG13 ILE A 119 -13.728 4.091 -53.637 1.00 32.54 H new ATOM 0 HG21 ILE A 119 -11.826 1.203 -54.382 1.00 42.62 H new ATOM 0 HG22 ILE A 119 -10.423 1.661 -53.807 1.00 42.62 H new ATOM 0 HG23 ILE A 119 -11.590 1.255 -52.816 1.00 42.62 H new ATOM 0 HD11 ILE A 119 -15.080 2.263 -54.313 1.00 28.52 H new ATOM 0 HD12 ILE A 119 -13.903 2.443 -55.357 1.00 28.52 H new ATOM 0 HD13 ILE A 119 -13.821 1.303 -54.261 1.00 28.52 H new ATOM 913 N ALA A 120 -9.084 5.071 -53.032 1.00 86.40 N ATOM 914 CA ALA A 120 -7.627 5.235 -53.119 1.00 63.43 C ATOM 915 C ALA A 120 -7.099 6.415 -52.313 1.00 89.95 C ATOM 916 O ALA A 120 -7.272 6.685 -51.116 1.00 53.49 O ATOM 917 CB ALA A 120 -7.269 5.336 -54.616 1.00 31.84 C ATOM 0 H ALA A 120 -9.514 5.744 -53.352 1.00 86.40 H new ATOM 0 HA ALA A 120 -7.192 4.467 -52.716 1.00 63.43 H new ATOM 0 HB1 ALA A 120 -6.310 5.446 -54.713 1.00 31.84 H new ATOM 0 HB2 ALA A 120 -7.549 4.527 -55.071 1.00 31.84 H new ATOM 0 HB3 ALA A 120 -7.722 6.099 -55.007 1.00 31.84 H new TER 918 ALA A 120 HETATM 919 CU CU A 124 -26.377 18.011 -51.848 1.00 20.35 CU HETATM 920 O HOH A 125 -15.673 12.473 -38.823 1.00 14.93 O HETATM 921 O HOH A 126 -18.566 13.580 -51.922 1.00 13.01 O HETATM 922 O HOH A 127 -17.998 -6.538 -44.552 1.00 16.63 O HETATM 923 O HOH A 128 -13.950 16.795 -50.121 1.00 20.83 O HETATM 924 O HOH A 129 -25.296 -1.089 -62.890 1.00 16.88 O HETATM 925 O HOH A 130 -16.008 -7.228 -53.453 1.00 22.16 O HETATM 926 O HOH A 131 -19.215 -8.028 -46.487 1.00 22.31 O HETATM 927 O HOH A 132 -24.712 -4.145 -53.297 1.00 18.77 O HETATM 928 O HOH A 133 -27.942 23.322 -55.792 1.00 24.86 O HETATM 929 O HOH A 134 -26.764 23.692 -52.051 1.00 29.98 O HETATM 930 O HOH A 135 -26.337 -11.011 -42.829 1.00 36.85 O HETATM 931 O HOH A 136 -15.105 14.477 -50.102 1.00 18.17 O HETATM 932 O HOH A 137 -36.345 13.761 -48.614 1.00 38.23 O HETATM 933 O HOH A 138 -21.975 -8.125 -47.226 1.00 45.32 O HETATM 934 O HOH A 139 -30.440 15.238 -44.365 1.00 21.06 O HETATM 935 O HOH A 140 -24.533 -8.478 -45.150 1.00 35.59 O HETATM 936 O HOH A 141 -15.143 -3.774 -59.786 1.00 25.44 O HETATM 937 O HOH A 142 -23.958 -7.800 -49.370 1.00 33.83 O HETATM 938 O HOH A 143 -19.602 -3.058 -32.756 1.00 33.01 O HETATM 939 O HOH A 144 -30.581 11.788 -57.351 1.00 25.32 O HETATM 940 O HOH A 145 -27.665 -1.538 -42.045 1.00 20.98 O HETATM 941 O HOH A 146 -27.059 5.175 -60.106 1.00 43.58 O HETATM 942 O HOH A 147 -31.946 10.996 -37.849 1.00 39.95 O HETATM 943 O HOH A 148 -11.688 15.305 -49.164 1.00 38.31 O HETATM 944 O HOH A 149 -31.084 5.098 -56.215 1.00 38.02 O HETATM 945 O HOH A 150 -12.911 -8.890 -57.475 1.00 37.79 O HETATM 946 O HOH A 151 -13.112 23.606 -53.302 1.00 36.64 O HETATM 947 O HOH A 152 -15.263 7.660 -34.528 1.00 36.98 O HETATM 948 O HOH A 153 -15.860 13.473 -52.824 1.00 24.14 O HETATM 949 O HOH A 154 -18.995 25.018 -48.467 1.00 32.89 O HETATM 950 O HOH A 155 -26.728 26.383 -49.811 1.00 34.46 O HETATM 951 O HOH A 156 -12.730 11.105 -47.335 0.50 18.18 O HETATM 952 O HOH A 157 -15.663 20.340 -58.321 1.00 59.17 O HETATM 953 O HOH A 158 -15.425 19.329 -43.468 1.00 24.74 O HETATM 954 O HOH A 159 -20.896 3.877 -65.344 1.00 46.16 O HETATM 955 O HOH A 160 -10.780 7.572 -61.668 0.50 25.25 O HETATM 956 O HOH A 161 -33.182 4.808 -52.208 1.00 53.41 O HETATM 957 O HOH A 162 -29.540 6.659 -57.951 1.00 38.12 O HETATM 958 O HOH A 163 -36.692 16.781 -48.654 1.00 44.50 O HETATM 959 O HOH A 164 -22.320 10.590 -66.948 1.00 34.72 O HETATM 960 O HOH A 165 -17.806 -10.440 -46.171 1.00 44.73 O HETATM 961 O HOH A 166 -13.624 11.705 -53.671 1.00 32.08 O HETATM 962 O HOH A 167 -23.574 5.654 -31.485 1.00 50.80 O HETATM 963 O HOH A 168 -13.815 -5.956 -50.697 1.00 31.46 O HETATM 964 O HOH A 169 -28.406 2.139 -58.999 1.00 48.45 O HETATM 965 O HOH A 170 -13.138 -2.426 -44.597 1.00 33.45 O HETATM 966 O HOH A 171 -20.716 12.035 -31.008 1.00 43.72 O HETATM 967 O HOH A 172 -9.431 3.297 -57.166 1.00 32.37 O HETATM 968 O HOH A 173 -17.478 8.108 -31.258 1.00 38.63 O HETATM 969 O HOH A 174 -31.106 -3.753 -49.958 1.00 68.74 O HETATM 970 O HOH A 175 -31.002 1.495 -51.788 1.00 29.71 O HETATM 971 O HOH A 176 -21.488 12.925 -65.458 1.00 37.30 O HETATM 972 O HOH A 177 -30.279 -2.189 -42.092 1.00 37.75 O HETATM 973 O HOH A 178 -13.826 15.708 -57.763 1.00 36.00 O HETATM 974 O HOH A 179 -23.679 10.767 -30.359 1.00 40.84 O HETATM 975 O HOH A 180 -15.550 10.810 -70.990 0.50 30.22 O HETATM 976 O HOH A 181 -35.673 6.760 -43.820 1.00 58.20 O HETATM 977 O HOH A 182 -26.122 -6.344 -52.682 1.00 45.74 O HETATM 978 O HOH A 183 -11.884 12.187 -51.411 1.00 49.45 O HETATM 979 O HOH A 184 -29.016 28.640 -49.425 1.00 43.71 O HETATM 980 O HOH A 185 -16.868 -8.501 -41.438 1.00 61.25 O HETATM 981 O HOH A 186 -29.025 0.273 -44.377 1.00 42.89 O HETATM 982 O HOH A 187 -15.798 24.066 -47.037 1.00 42.71 O HETATM 983 O HOH A 188 -27.219 6.887 -62.689 1.00 81.17 O HETATM 984 O HOH A 189 -27.034 -1.204 -60.417 1.00 41.22 O HETATM 985 O HOH A 190 -29.073 -5.643 -54.105 1.00 45.05 O HETATM 986 O HOH A 191 -17.111 -6.241 -37.787 1.00 39.35 O HETATM 987 O HOH A 192 -31.521 -1.601 -52.666 1.00 53.99 O HETATM 988 O HOH A 193 -12.418 -5.276 -53.177 1.00 51.97 O HETATM 989 O HOH A 194 -13.831 -6.399 -60.107 1.00 38.11 O HETATM 990 O HOH A 195 -33.110 8.184 -56.237 1.00 70.98 O HETATM 991 O HOH A 196 -11.166 -4.468 -45.778 1.00 50.53 O HETATM 992 O HOH A 197 -17.058 0.243 -33.693 1.00 85.03 O HETATM 993 O HOH A 198 -35.939 21.174 -42.948 1.00106.53 O HETATM 994 O HOH A 199 -27.756 17.645 -60.321 1.00 43.33 O HETATM 995 O HOH A 200 -22.575 3.335 -31.639 1.00 49.22 O HETATM 996 O HOH A 201 -13.602 -3.983 -38.980 1.00 48.21 O HETATM 997 O HOH A 202 -18.736 6.123 -65.208 1.00 42.13 O HETATM 998 O HOH A 203 -19.390 18.729 -58.543 1.00 39.89 O HETATM 999 O HOH A 204 -32.443 18.755 -38.064 1.00 55.53 O HETATM 1000 O HOH A 205 -16.328 -10.223 -44.164 1.00 46.72 O HETATM 1001 O HOH A 206 -25.013 12.142 -33.004 1.00 59.06 O HETATM 1002 O HOH A 207 -18.564 1.574 -29.630 1.00 71.99 O HETATM 1003 O HOH A 208 -13.322 -1.029 -46.971 1.00 62.92 O HETATM 1004 O HOH A 209 -25.412 22.358 -39.705 1.00 62.49 O HETATM 1005 O HOH A 210 -31.005 4.276 -39.227 1.00 30.35 O HETATM 1006 O HOH A 211 -26.813 1.553 -60.967 1.00 48.34 O HETATM 1007 O HOH A 212 -14.972 13.935 -68.894 1.00 45.49 O HETATM 1008 O HOH A 213 -13.203 7.324 -63.982 1.00 47.55 O HETATM 1009 O HOH A 214 -12.899 12.839 -48.446 0.50 17.51 O HETATM 1010 O HOH A 215 -10.598 9.021 -60.109 0.50 20.35 O HETATM 1011 O HOH A 216 -16.623 21.397 -42.650 1.00 41.76 O HETATM 1012 O HOH A 217 -11.446 1.684 -57.773 1.00 56.38 O HETATM 1013 O HOH A 218 -20.641 24.790 -54.894 1.00 40.66 O HETATM 1014 O HOH A 219 -29.651 -0.640 -38.672 1.00 56.49 O HETATM 1015 O HOH A 220 -29.620 25.573 -51.102 1.00 49.72 O HETATM 1016 O HOH A 221 -22.093 13.936 -34.194 1.00 51.22 O CONECT 301 919 CONECT 601 919 CONECT 622 919 CONECT 919 301 601 622 END