USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER ELECTRON TRANSFER (CUPROPROTEIN) 22-FEB-95 1PZC TITLE APO-PSEUDOAZURIN (METAL FREE PROTEIN) COMPND MOL_ID: 1; COMPND 2 MOLECULE: PSEUDOAZURIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: APO FORM SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; SOURCE 3 ORGANISM_TAXID: 511; SOURCE 4 STRAIN: S-6; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: JM105; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: LAC; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PUB1 KEYWDS APOPROTEIN, METAL FREE PROTEIN, ELECTRON TRANSFER KEYWDS 2 (CUPROPROTEIN) EXPDTA X-RAY DIFFRACTION AUTHOR K.PETRATOS REVDAT 2 24-FEB-09 1PZC 1 VERSN REVDAT 1 15-SEP-95 1PZC 0 JRNL AUTH K.PETRATOS,M.PAPADOVASILAKI,Z.DAUTER JRNL TITL THE CRYSTAL STRUCTURE OF APO-PSEUDOAZURIN FROM JRNL TITL 2 ALCALIGENES FAECALIS S-6. JRNL REF FEBS LETT. V. 368 432 1995 JRNL REFN ISSN 0014-5793 JRNL PMID 7635192 JRNL DOI 10.1016/0014-5793(95)00705-E 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. 1.85 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : ARP/WARP, PROLSQ, SFALL, PROTIN REMARK 3 AUTHORS : LAMZIN,PERRAKIS,MORRIS REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.85 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 : 11516 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) : 0.164 REMARK 3 R VALUE (WORKING SET) : NULL REMARK 3 FREE R VALUE : 0.215 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 : 927 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 137 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 29.00 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) : 1.410 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.160 ; 3.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 7.820 ; 8.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 11.250; 10.000 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1PZC 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 : 13-JUL-94 REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : 6.7 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : EMBL/DESY, HAMBURG REMARK 200 BEAMLINE : BW7B REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL REMARK 200 WAVELENGTH OR RANGE (A) : 0.87 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 11533 REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.4 REMARK 200 DATA REDUNDANCY : 6.400 REMARK 200 R MERGE (I) : 0.07700 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: ARP/WARP REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 52.95 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.61 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PH 6.7 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 66.00000 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 33.00000 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 49.50000 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 16.50000 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 82.50000 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 400 REMARK 400 COMPOUND REMARK 400 REMARK 400 DE-METALLIZED CUPROPROTEIN WITH 100 MM KCN AT PH 6.7. REMARK 450 REMARK 450 SOURCE REMARK 450 REMARK 450 MOLECULE_NAME: PSEUDOAZURIN. THE PSEUDOAZURIN GENE FROM REMARK 450 A. FAECALIS (438 B.P.) WAS EXPRESSED UNDER THE CONTROL OF REMARK 450 BOTH LAC AND TAC PROMOTERS. 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 LYS A 123 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 TYR A 74 CB - CG - CD2 ANGL. DEV. = -4.2 DEGREES REMARK 500 LYS A 109 CD - CE - NZ ANGL. DEV. = 14.1 DEGREES REMARK 500 ARG A 114 NH1 - CZ - NH2 ANGL. DEV. = 7.4 DEGREES REMARK 500 ARG A 114 NE - CZ - NH1 ANGL. DEV. = -5.7 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 77.80 59.94 REMARK 500 LYS A 57 116.19 -165.95 REMARK 500 SER A 95 65.34 37.45 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 211 DISTANCE = 5.63 ANGSTROMS DBREF 1PZC 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 FORMUL 2 HOH *137(H2 O) HELIX 1 1 TYR A 82 MET A 84 5 3 HELIX 2 2 LEU A 99 SER A 104 1 6 HELIX 3 3 LYS A 109 ALA A 120 1 12 SHEET 1 A 4 VAL A 17 GLU A 19 0 SHEET 2 A 4 ASN A 2 LEU A 8 -1 N LEU A 8 O VAL A 17 SHEET 3 A 4 THR A 30 PRO A 35 1 N THR A 30 O ILE A 3 SHEET 4 A 4 TYR A 64 THR A 67 -1 N LEU A 66 O VAL A 31 SHEET 1 B 3 TYR A 22 ALA A 25 0 SHEET 2 B 3 ILE A 87 VAL A 92 1 N LEU A 89 O ILE A 23 SHEET 3 B 3 GLY A 72 LYS A 77 -1 N VAL A 76 O ALA A 88 CISPEP 1 GLU A 19 PRO A 20 0 -0.85 CRYST1 49.500 49.500 99.000 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 0.020202 0.011664 0.000000 0.00000 SCALE2 0.000000 0.023327 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010101 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 Set 1.1: A 107 LYS NZ :NH3+ 142:sc= 2.91 (180deg=-0.0917) USER MOD Set 1.2: A 112 GLN : amide:sc= 1.6 K(o=4.5,f=-12!) USER MOD Set 2.1: A 9 ASN : amide:sc= 0.709 K(o=4.4,f=1.3) USER MOD Set 2.2: A 40 HIS : no HD1:sc= 0.493 K(o=4.4,f=-0.94!) USER MOD Set 2.3: A 41 ASN : amide:sc= 1.25 K(o=4.4,f=-2.3!) USER MOD Set 2.4: A 78 CYS SG : rot 163:sc= -0.336 USER MOD Set 2.5: A 79 THR OG1 : rot -95:sc= 1.04 USER MOD Set 2.6: A 81 HIS : no HE2:sc= 1.2 K(o=4.4,f=-0.36!) USER MOD Set 2.7: A 86 MET CE :methyl -111:sc= 0 (180deg=-0.961) USER MOD Set 3.1: A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 84 MET CE :methyl -171:sc= -3.41! (180deg=-3.54!) USER MOD Set 4.1: A 2 ASN : amide:sc= 1.62 X(o=3.6,f=3.1) USER MOD Set 4.2: A 30 THR OG1 : rot 82:sc= 0.774 USER MOD Set 4.3: A 32 THR OG1 : rot 91:sc= 1.16 USER MOD Single : A 1 GLU N :NH3+ -165:sc= 0.0107 (180deg=0.000706) USER MOD Single : A 6 HIS : no HE2:sc= -0.102 K(o=-0.1,f=-1.4) USER MOD Single : A 7 MET CE :methyl -125:sc= -1.8 (180deg=-2.62!) USER MOD Single : A 10 LYS NZ :NH3+ -141:sc= 0.541 (180deg=-0.259) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 147:sc= -0.132 (180deg=-0.404) USER MOD Single : A 26 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.0064) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 21:sc= 1.06 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -179:sc= -0.161 (180deg=-0.163) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 94:sc= 1.83 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.628 K(o=-0.63,f=-12!) USER MOD Single : A 63 ASN : amide:sc=-0.00904 X(o=-0.009,f=-0.024) USER MOD Single : A 64 TYR OH : rot 180:sc=-0.00671 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= -0.106 X(o=-0.11,f=-0.12) USER MOD Single : A 74 TYR OH : rot 13:sc= 2.32 USER MOD Single : A 77 LYS NZ :NH3+ 175:sc= 0.253 (180deg=0.244) USER MOD Single : A 82 TYR OH : rot 30:sc= 1.08 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 2.59 K(o=2.6,f=-9.6!) USER MOD Single : A 101 GLN : amide:sc= 0.15 K(o=0.15,f=0.88) USER MOD Single : A 104 SER OG : rot 94:sc= 0.722 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 82:sc= 0.0472 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 19.889 3.450 31.359 1.00 27.90 N ATOM 2 CA GLU A 1 19.049 4.568 31.839 1.00 26.90 C ATOM 3 C GLU A 1 19.772 5.390 32.910 1.00 24.83 C ATOM 4 O GLU A 1 20.442 4.826 33.772 1.00 23.33 O ATOM 5 CB GLU A 1 17.710 4.038 32.347 1.00 41.31 C ATOM 6 CG GLU A 1 16.648 5.124 32.448 1.00 70.41 C ATOM 7 CD GLU A 1 15.348 4.469 32.911 1.00 88.35 C ATOM 8 OE1 GLU A 1 15.088 3.368 32.363 1.00 97.51 O ATOM 9 OE2 GLU A 1 14.667 5.050 33.787 1.00 98.60 O ATOM 0 H1 GLU A 1 19.549 3.127 30.603 1.00 27.90 H new ATOM 0 H2 GLU A 1 20.716 3.742 31.211 1.00 27.90 H new ATOM 0 H3 GLU A 1 19.908 2.807 31.974 1.00 27.90 H new ATOM 0 HA GLU A 1 18.877 5.165 31.094 1.00 26.90 H new ATOM 0 HB2 GLU A 1 17.397 3.339 31.752 1.00 41.31 H new ATOM 0 HB3 GLU A 1 17.837 3.633 33.219 1.00 41.31 H new ATOM 0 HG2 GLU A 1 16.924 5.811 33.075 1.00 70.41 H new ATOM 0 HG3 GLU A 1 16.523 5.557 31.589 1.00 70.41 H new ATOM 10 N ASN A 2 19.614 6.692 32.856 1.00 23.39 N ATOM 11 CA ASN A 2 20.207 7.657 33.767 1.00 21.28 C ATOM 12 C ASN A 2 19.139 8.358 34.607 1.00 20.61 C ATOM 13 O ASN A 2 18.027 8.628 34.133 1.00 20.71 O ATOM 14 CB ASN A 2 21.000 8.694 32.988 1.00 16.64 C ATOM 15 CG ASN A 2 21.773 9.625 33.873 1.00 23.58 C ATOM 16 OD1 ASN A 2 22.597 9.284 34.730 1.00 24.25 O ATOM 17 ND2 ASN A 2 21.515 10.914 33.651 1.00 23.09 N ATOM 0 H ASN A 2 19.129 7.065 32.252 1.00 23.39 H new ATOM 0 HA ASN A 2 20.799 7.174 34.364 1.00 21.28 H new ATOM 0 HB2 ASN A 2 21.614 8.241 32.388 1.00 16.64 H new ATOM 0 HB3 ASN A 2 20.393 9.210 32.435 1.00 16.64 H new ATOM 0 HD21 ASN A 2 21.923 11.519 34.106 1.00 23.09 H new ATOM 0 HD22 ASN A 2 20.940 11.141 33.053 1.00 23.09 H new ATOM 18 N ILE A 3 19.525 8.598 35.856 1.00 17.86 N ATOM 19 CA ILE A 3 18.641 9.251 36.815 1.00 16.85 C ATOM 20 C ILE A 3 19.427 10.408 37.377 1.00 16.52 C ATOM 21 O ILE A 3 20.505 10.101 37.900 1.00 17.67 O ATOM 22 CB ILE A 3 18.166 8.331 37.958 1.00 18.02 C ATOM 23 CG1 ILE A 3 17.412 7.088 37.462 1.00 18.61 C ATOM 24 CG2 ILE A 3 17.237 9.082 38.926 1.00 16.31 C ATOM 25 CD1 ILE A 3 18.274 5.843 37.392 1.00 28.83 C ATOM 0 H ILE A 3 20.298 8.389 36.169 1.00 17.86 H new ATOM 0 HA ILE A 3 17.828 9.525 36.362 1.00 16.85 H new ATOM 0 HB ILE A 3 18.978 8.047 38.406 1.00 18.02 H new ATOM 0 HG12 ILE A 3 16.660 6.919 38.051 1.00 18.61 H new ATOM 0 HG13 ILE A 3 17.048 7.270 36.582 1.00 18.61 H new ATOM 0 HG21 ILE A 3 16.953 8.482 39.634 1.00 16.31 H new ATOM 0 HG22 ILE A 3 17.712 9.835 39.312 1.00 16.31 H new ATOM 0 HG23 ILE A 3 16.459 9.404 38.444 1.00 16.31 H new ATOM 0 HD11 ILE A 3 17.741 5.098 37.073 1.00 28.83 H new ATOM 0 HD12 ILE A 3 19.013 5.995 36.783 1.00 28.83 H new ATOM 0 HD13 ILE A 3 18.620 5.638 38.275 1.00 28.83 H new ATOM 26 N GLU A 4 18.910 11.614 37.263 1.00 15.56 N ATOM 27 CA GLU A 4 19.624 12.786 37.815 1.00 16.51 C ATOM 28 C GLU A 4 19.174 13.061 39.252 1.00 15.89 C ATOM 29 O GLU A 4 17.980 13.005 39.538 1.00 16.66 O ATOM 30 CB GLU A 4 19.408 14.011 36.932 1.00 17.01 C ATOM 31 CG GLU A 4 20.337 13.910 35.730 1.00 25.89 C ATOM 32 CD GLU A 4 20.103 15.049 34.744 1.00 37.14 C ATOM 33 OE1 GLU A 4 19.176 15.835 35.040 1.00 32.25 O ATOM 34 OE2 GLU A 4 20.845 15.114 33.744 1.00 31.99 O ATOM 0 H GLU A 4 18.161 11.791 36.879 1.00 15.56 H new ATOM 0 HA GLU A 4 20.574 12.589 37.829 1.00 16.51 H new ATOM 0 HB2 GLU A 4 18.484 14.058 36.641 1.00 17.01 H new ATOM 0 HB3 GLU A 4 19.590 14.823 37.431 1.00 17.01 H new ATOM 0 HG2 GLU A 4 21.259 13.925 36.030 1.00 25.89 H new ATOM 0 HG3 GLU A 4 20.198 13.060 35.283 1.00 25.89 H new ATOM 35 N VAL A 5 20.146 13.310 40.106 1.00 15.51 N ATOM 36 CA VAL A 5 19.926 13.566 41.524 1.00 16.34 C ATOM 37 C VAL A 5 20.579 14.904 41.859 1.00 17.27 C ATOM 38 O VAL A 5 21.736 15.122 41.494 1.00 19.82 O ATOM 39 CB VAL A 5 20.522 12.429 42.389 1.00 12.67 C ATOM 40 CG1 VAL A 5 20.333 12.680 43.874 1.00 10.92 C ATOM 41 CG2 VAL A 5 19.887 11.081 41.974 1.00 12.15 C ATOM 0 H VAL A 5 20.975 13.337 39.877 1.00 15.51 H new ATOM 0 HA VAL A 5 18.976 13.599 41.716 1.00 16.34 H new ATOM 0 HB VAL A 5 21.479 12.399 42.232 1.00 12.67 H new ATOM 0 HG11 VAL A 5 20.719 11.947 44.378 1.00 10.92 H new ATOM 0 HG12 VAL A 5 20.773 13.509 44.121 1.00 10.92 H new ATOM 0 HG13 VAL A 5 19.386 12.745 44.073 1.00 10.92 H new ATOM 0 HG21 VAL A 5 20.260 10.367 42.515 1.00 12.15 H new ATOM 0 HG22 VAL A 5 18.927 11.120 42.108 1.00 12.15 H new ATOM 0 HG23 VAL A 5 20.076 10.909 41.038 1.00 12.15 H new ATOM 42 N HIS A 6 19.834 15.773 42.504 1.00 17.41 N ATOM 43 CA HIS A 6 20.340 17.078 42.916 1.00 17.80 C ATOM 44 C HIS A 6 20.768 17.053 44.384 1.00 17.06 C ATOM 45 O HIS A 6 20.068 16.430 45.202 1.00 17.09 O ATOM 46 CB HIS A 6 19.230 18.117 42.812 1.00 15.16 C ATOM 47 CG HIS A 6 18.991 18.485 41.386 1.00 20.97 C ATOM 48 ND1 HIS A 6 18.085 19.439 40.988 1.00 22.61 N ATOM 49 CD2 HIS A 6 19.578 17.949 40.291 1.00 23.21 C ATOM 50 CE1 HIS A 6 18.120 19.478 39.666 1.00 20.18 C ATOM 51 NE2 HIS A 6 18.999 18.601 39.223 1.00 27.27 N ATOM 0 H HIS A 6 19.014 15.630 42.721 1.00 17.41 H new ATOM 0 HA HIS A 6 21.091 17.294 42.341 1.00 17.80 H new ATOM 0 HB2 HIS A 6 18.414 17.767 43.202 1.00 15.16 H new ATOM 0 HB3 HIS A 6 19.471 18.908 43.320 1.00 15.16 H new ATOM 0 HD1 HIS A 6 17.589 19.919 41.501 1.00 22.61 H new ATOM 0 HD2 HIS A 6 20.229 17.286 40.265 1.00 23.21 H new ATOM 0 HE1 HIS A 6 17.604 20.038 39.132 1.00 20.18 H new ATOM 52 N MET A 7 21.859 17.708 44.632 1.00 16.39 N ATOM 53 CA MET A 7 22.437 17.857 45.979 1.00 17.07 C ATOM 54 C MET A 7 22.175 19.344 46.283 1.00 18.16 C ATOM 55 O MET A 7 22.680 20.245 45.638 1.00 18.60 O ATOM 56 CB MET A 7 23.899 17.478 45.952 1.00 17.58 C ATOM 57 CG MET A 7 24.152 16.122 45.244 1.00 21.26 C ATOM 58 SD MET A 7 25.838 15.587 45.608 1.00 30.92 S ATOM 59 CE MET A 7 26.744 16.514 44.378 1.00 32.75 C ATOM 0 H MET A 7 22.317 18.100 44.019 1.00 16.39 H new ATOM 0 HA MET A 7 22.059 17.285 46.665 1.00 17.07 H new ATOM 0 HB2 MET A 7 24.401 18.174 45.500 1.00 17.58 H new ATOM 0 HB3 MET A 7 24.234 17.432 46.861 1.00 17.58 H new ATOM 0 HG2 MET A 7 23.515 15.458 45.551 1.00 21.26 H new ATOM 0 HG3 MET A 7 24.027 16.214 44.286 1.00 21.26 H new ATOM 0 HE1 MET A 7 27.281 15.907 43.846 1.00 32.75 H new ATOM 0 HE2 MET A 7 26.120 16.983 43.802 1.00 32.75 H new ATOM 0 HE3 MET A 7 27.323 17.156 44.818 1.00 32.75 H new ATOM 60 N LEU A 8 21.293 19.555 47.232 1.00 20.04 N ATOM 61 CA LEU A 8 20.765 20.807 47.697 1.00 20.78 C ATOM 62 C LEU A 8 20.865 21.093 49.196 1.00 21.43 C ATOM 63 O LEU A 8 20.701 20.178 49.999 1.00 18.88 O ATOM 64 CB LEU A 8 19.223 20.771 47.457 1.00 21.21 C ATOM 65 CG LEU A 8 18.699 20.538 46.047 1.00 19.77 C ATOM 66 CD1 LEU A 8 17.222 20.178 46.052 1.00 22.60 C ATOM 67 CD2 LEU A 8 18.918 21.781 45.200 1.00 29.46 C ATOM 0 H LEU A 8 20.953 18.895 47.666 1.00 20.04 H new ATOM 0 HA LEU A 8 21.287 21.473 47.224 1.00 20.78 H new ATOM 0 HB2 LEU A 8 18.855 20.076 48.024 1.00 21.21 H new ATOM 0 HB3 LEU A 8 18.859 21.614 47.769 1.00 21.21 H new ATOM 0 HG LEU A 8 19.190 19.792 45.669 1.00 19.77 H new ATOM 0 HD11 LEU A 8 16.920 20.036 45.141 1.00 22.60 H new ATOM 0 HD12 LEU A 8 17.088 19.367 46.566 1.00 22.60 H new ATOM 0 HD13 LEU A 8 16.714 20.901 46.452 1.00 22.60 H new ATOM 0 HD21 LEU A 8 18.582 21.625 44.304 1.00 29.46 H new ATOM 0 HD22 LEU A 8 18.446 22.530 45.596 1.00 29.46 H new ATOM 0 HD23 LEU A 8 19.866 21.982 45.159 1.00 29.46 H new ATOM 68 N ASN A 9 21.037 22.404 49.453 1.00 21.31 N ATOM 69 CA ASN A 9 21.106 22.858 50.840 1.00 20.05 C ATOM 70 C ASN A 9 19.728 22.875 51.446 1.00 19.51 C ATOM 71 O ASN A 9 19.638 22.729 52.657 1.00 20.78 O ATOM 72 CB ASN A 9 21.629 24.284 50.914 1.00 24.95 C ATOM 73 CG ASN A 9 23.069 24.443 50.487 1.00 27.36 C ATOM 74 OD1 ASN A 9 23.883 23.519 50.551 1.00 28.22 O ATOM 75 ND2 ASN A 9 23.367 25.669 50.045 1.00 34.69 N ATOM 0 H ASN A 9 21.113 23.020 48.857 1.00 21.31 H new ATOM 0 HA ASN A 9 21.695 22.250 51.314 1.00 20.05 H new ATOM 0 HB2 ASN A 9 21.073 24.850 50.356 1.00 24.95 H new ATOM 0 HB3 ASN A 9 21.536 24.604 51.825 1.00 24.95 H new ATOM 0 HD21 ASN A 9 24.166 25.850 49.784 1.00 34.69 H new ATOM 0 HD22 ASN A 9 22.759 26.277 50.022 1.00 34.69 H new ATOM 76 N LYS A 10 18.725 23.005 50.599 1.00 20.84 N ATOM 77 CA LYS A 10 17.335 23.048 51.080 1.00 21.14 C ATOM 78 C LYS A 10 16.444 22.424 50.035 1.00 22.23 C ATOM 79 O LYS A 10 16.634 22.676 48.829 1.00 25.06 O ATOM 80 CB LYS A 10 17.002 24.525 51.323 1.00 32.66 C ATOM 81 CG LYS A 10 15.544 24.789 51.652 1.00 55.70 C ATOM 82 CD LYS A 10 15.171 24.383 53.075 1.00 66.96 C ATOM 83 CE LYS A 10 13.681 24.562 53.372 1.00 67.18 C ATOM 84 NZ LYS A 10 12.857 23.408 52.977 1.00 52.70 N ATOM 0 H LYS A 10 18.814 23.070 49.746 1.00 20.84 H new ATOM 0 HA LYS A 10 17.204 22.551 51.903 1.00 21.14 H new ATOM 0 HB2 LYS A 10 17.552 24.854 52.051 1.00 32.66 H new ATOM 0 HB3 LYS A 10 17.242 25.034 50.533 1.00 32.66 H new ATOM 0 HG2 LYS A 10 15.356 25.733 51.530 1.00 55.70 H new ATOM 0 HG3 LYS A 10 14.983 24.305 51.025 1.00 55.70 H new ATOM 0 HD2 LYS A 10 15.415 23.455 53.217 1.00 66.96 H new ATOM 0 HD3 LYS A 10 15.687 24.911 53.703 1.00 66.96 H new ATOM 0 HE2 LYS A 10 13.565 24.722 54.322 1.00 67.18 H new ATOM 0 HE3 LYS A 10 13.360 25.352 52.910 1.00 67.18 H new ATOM 0 HZ1 LYS A 10 12.088 23.696 52.634 1.00 52.70 H new ATOM 0 HZ2 LYS A 10 13.292 22.927 52.367 1.00 52.70 H new ATOM 0 HZ3 LYS A 10 12.693 22.902 53.691 1.00 52.70 H new ATOM 85 N GLY A 11 15.498 21.616 50.434 1.00 21.19 N ATOM 86 CA GLY A 11 14.582 20.947 49.483 1.00 19.95 C ATOM 87 C GLY A 11 13.248 20.683 50.164 1.00 20.51 C ATOM 88 O GLY A 11 13.051 21.228 51.260 1.00 19.86 O ATOM 0 H GLY A 11 15.350 21.425 51.259 1.00 21.19 H new ATOM 0 HA2 GLY A 11 14.451 21.503 48.699 1.00 19.95 H new ATOM 0 HA3 GLY A 11 14.971 20.113 49.177 1.00 19.95 H new ATOM 89 N ALA A 12 12.422 19.861 49.528 1.00 19.45 N ATOM 90 CA ALA A 12 11.120 19.591 50.123 1.00 21.05 C ATOM 91 C ALA A 12 11.200 19.026 51.524 1.00 23.31 C ATOM 92 O ALA A 12 10.319 19.285 52.351 1.00 23.61 O ATOM 93 CB ALA A 12 10.399 18.588 49.233 1.00 20.32 C ATOM 0 H ALA A 12 12.585 19.464 48.783 1.00 19.45 H new ATOM 0 HA ALA A 12 10.648 20.436 50.190 1.00 21.05 H new ATOM 0 HB1 ALA A 12 9.527 18.391 49.608 1.00 20.32 H new ATOM 0 HB2 ALA A 12 10.291 18.962 48.345 1.00 20.32 H new ATOM 0 HB3 ALA A 12 10.919 17.771 49.178 1.00 20.32 H new ATOM 94 N GLU A 13 12.200 18.185 51.777 1.00 22.95 N ATOM 95 CA GLU A 13 12.368 17.529 53.061 1.00 23.02 C ATOM 96 C GLU A 13 13.109 18.416 54.042 1.00 22.66 C ATOM 97 O GLU A 13 13.188 17.914 55.169 1.00 26.30 O ATOM 98 CB GLU A 13 13.110 16.180 53.014 1.00 19.91 C ATOM 99 CG GLU A 13 12.306 15.123 52.274 1.00 30.75 C ATOM 100 CD GLU A 13 10.941 14.954 52.935 1.00 42.50 C ATOM 101 OE1 GLU A 13 10.933 14.772 54.178 1.00 47.70 O ATOM 102 OE2 GLU A 13 9.921 15.022 52.216 1.00 46.01 O ATOM 0 H GLU A 13 12.804 17.980 51.200 1.00 22.95 H new ATOM 0 HA GLU A 13 11.457 17.357 53.347 1.00 23.02 H new ATOM 0 HB2 GLU A 13 13.969 16.298 52.579 1.00 19.91 H new ATOM 0 HB3 GLU A 13 13.289 15.877 53.918 1.00 19.91 H new ATOM 0 HG2 GLU A 13 12.195 15.380 51.345 1.00 30.75 H new ATOM 0 HG3 GLU A 13 12.784 14.279 52.279 1.00 30.75 H new ATOM 103 N GLY A 14 13.609 19.550 53.652 1.00 22.03 N ATOM 104 CA GLY A 14 14.308 20.394 54.625 1.00 20.50 C ATOM 105 C GLY A 14 15.706 20.680 54.143 1.00 20.40 C ATOM 106 O GLY A 14 15.910 20.732 52.937 1.00 21.46 O ATOM 0 H GLY A 14 13.567 19.862 52.852 1.00 22.03 H new ATOM 0 HA2 GLY A 14 13.824 21.225 54.751 1.00 20.50 H new ATOM 0 HA3 GLY A 14 14.339 19.950 55.487 1.00 20.50 H new ATOM 107 N ALA A 15 16.595 20.854 55.109 1.00 19.37 N ATOM 108 CA ALA A 15 17.979 21.160 54.836 1.00 18.01 C ATOM 109 C ALA A 15 18.823 19.927 54.547 1.00 16.35 C ATOM 110 O ALA A 15 18.620 18.913 55.188 1.00 18.17 O ATOM 111 CB ALA A 15 18.574 21.857 56.061 1.00 19.00 C ATOM 0 H ALA A 15 16.406 20.796 55.946 1.00 19.37 H new ATOM 0 HA ALA A 15 17.994 21.721 54.045 1.00 18.01 H new ATOM 0 HB1 ALA A 15 19.505 22.069 55.892 1.00 19.00 H new ATOM 0 HB2 ALA A 15 18.083 22.675 56.238 1.00 19.00 H new ATOM 0 HB3 ALA A 15 18.511 21.269 56.830 1.00 19.00 H new ATOM 112 N MET A 16 19.731 20.120 53.634 1.00 16.04 N ATOM 113 CA MET A 16 20.750 19.200 53.196 1.00 16.88 C ATOM 114 C MET A 16 20.098 17.940 52.646 1.00 15.60 C ATOM 115 O MET A 16 20.045 16.956 53.393 1.00 18.06 O ATOM 116 CB MET A 16 21.636 18.847 54.407 1.00 14.70 C ATOM 117 CG MET A 16 22.265 20.067 55.067 1.00 19.35 C ATOM 118 SD MET A 16 22.931 21.144 53.781 1.00 27.09 S ATOM 119 CE MET A 16 23.621 22.510 54.733 1.00 26.53 C ATOM 0 H MET A 16 19.776 20.866 53.209 1.00 16.04 H new ATOM 0 HA MET A 16 21.289 19.602 52.497 1.00 16.88 H new ATOM 0 HB2 MET A 16 21.103 18.371 55.063 1.00 14.70 H new ATOM 0 HB3 MET A 16 22.339 18.243 54.121 1.00 14.70 H new ATOM 0 HG2 MET A 16 21.604 20.542 55.594 1.00 19.35 H new ATOM 0 HG3 MET A 16 22.970 19.794 55.675 1.00 19.35 H new ATOM 0 HE1 MET A 16 24.013 23.160 54.129 1.00 26.53 H new ATOM 0 HE2 MET A 16 22.917 22.932 55.250 1.00 26.53 H new ATOM 0 HE3 MET A 16 24.305 22.174 55.333 1.00 26.53 H new ATOM 120 N VAL A 17 19.592 17.999 51.439 1.00 15.31 N ATOM 121 CA VAL A 17 18.928 16.827 50.895 1.00 14.19 C ATOM 122 C VAL A 17 19.414 16.455 49.514 1.00 15.90 C ATOM 123 O VAL A 17 20.029 17.206 48.755 1.00 17.93 O ATOM 124 CB VAL A 17 17.408 17.117 50.764 1.00 16.66 C ATOM 125 CG1 VAL A 17 16.756 17.323 52.117 1.00 21.25 C ATOM 126 CG2 VAL A 17 17.135 18.293 49.850 1.00 16.06 C ATOM 0 H VAL A 17 19.616 18.686 50.923 1.00 15.31 H new ATOM 0 HA VAL A 17 19.123 16.098 51.504 1.00 14.19 H new ATOM 0 HB VAL A 17 17.009 16.331 50.360 1.00 16.66 H new ATOM 0 HG11 VAL A 17 15.810 17.501 51.997 1.00 21.25 H new ATOM 0 HG12 VAL A 17 16.868 16.524 52.655 1.00 21.25 H new ATOM 0 HG13 VAL A 17 17.172 18.076 52.566 1.00 21.25 H new ATOM 0 HG21 VAL A 17 16.178 18.443 49.793 1.00 16.06 H new ATOM 0 HG22 VAL A 17 17.566 19.086 50.205 1.00 16.06 H new ATOM 0 HG23 VAL A 17 17.485 18.104 48.966 1.00 16.06 H new ATOM 127 N PHE A 18 19.101 15.207 49.184 1.00 13.85 N ATOM 128 CA PHE A 18 19.326 14.650 47.862 1.00 12.69 C ATOM 129 C PHE A 18 17.892 14.623 47.290 1.00 13.91 C ATOM 130 O PHE A 18 16.973 14.177 48.020 1.00 13.57 O ATOM 131 CB PHE A 18 19.883 13.237 47.834 1.00 11.51 C ATOM 132 CG PHE A 18 21.343 13.066 48.056 1.00 13.47 C ATOM 133 CD1 PHE A 18 22.257 13.255 47.015 1.00 19.93 C ATOM 134 CD2 PHE A 18 21.824 12.762 49.327 1.00 18.58 C ATOM 135 CE1 PHE A 18 23.617 13.103 47.255 1.00 21.10 C ATOM 136 CE2 PHE A 18 23.180 12.605 49.572 1.00 13.21 C ATOM 137 CZ PHE A 18 24.080 12.777 48.535 1.00 18.78 C ATOM 0 H PHE A 18 18.745 14.651 49.735 1.00 13.85 H new ATOM 0 HA PHE A 18 19.988 15.171 47.381 1.00 12.69 H new ATOM 0 HB2 PHE A 18 19.416 12.718 48.508 1.00 11.51 H new ATOM 0 HB3 PHE A 18 19.664 12.847 46.973 1.00 11.51 H new ATOM 0 HD1 PHE A 18 21.956 13.482 46.165 1.00 19.93 H new ATOM 0 HD2 PHE A 18 21.221 12.662 50.028 1.00 18.58 H new ATOM 0 HE1 PHE A 18 24.224 13.219 46.560 1.00 21.10 H new ATOM 0 HE2 PHE A 18 23.481 12.386 50.424 1.00 13.21 H new ATOM 0 HZ PHE A 18 24.992 12.676 48.688 1.00 18.78 H new ATOM 138 N GLU A 19 17.669 15.040 46.050 1.00 14.58 N ATOM 139 CA GLU A 19 16.353 14.970 45.423 1.00 13.46 C ATOM 140 C GLU A 19 16.488 14.285 44.064 1.00 13.04 C ATOM 141 O GLU A 19 17.174 14.935 43.268 1.00 12.56 O ATOM 142 CB GLU A 19 15.735 16.376 45.221 1.00 15.02 C ATOM 143 CG GLU A 19 15.218 16.783 46.606 1.00 15.82 C ATOM 144 CD GLU A 19 14.450 18.089 46.571 1.00 23.79 C ATOM 145 OE1 GLU A 19 14.492 18.749 45.523 1.00 18.61 O ATOM 146 OE2 GLU A 19 13.828 18.409 47.606 1.00 22.13 O ATOM 0 H GLU A 19 18.280 15.374 45.545 1.00 14.58 H new ATOM 0 HA GLU A 19 15.766 14.467 46.009 1.00 13.46 H new ATOM 0 HB2 GLU A 19 16.395 17.006 44.893 1.00 15.02 H new ATOM 0 HB3 GLU A 19 15.016 16.354 44.570 1.00 15.02 H new ATOM 0 HG2 GLU A 19 14.645 16.082 46.954 1.00 15.82 H new ATOM 0 HG3 GLU A 19 15.967 16.867 47.217 1.00 15.82 H new ATOM 147 N PRO A 20 15.938 13.108 43.848 1.00 13.21 N ATOM 148 CA PRO A 20 15.189 12.325 44.798 1.00 13.46 C ATOM 149 C PRO A 20 16.093 11.655 45.817 1.00 13.96 C ATOM 150 O PRO A 20 17.323 11.557 45.576 1.00 13.53 O ATOM 151 CB PRO A 20 14.508 11.335 43.841 1.00 13.38 C ATOM 152 CG PRO A 20 15.551 11.054 42.790 1.00 13.79 C ATOM 153 CD PRO A 20 16.102 12.457 42.524 1.00 13.75 C ATOM 0 HA PRO A 20 14.573 12.822 45.358 1.00 13.46 H new ATOM 0 HB2 PRO A 20 14.242 10.524 44.301 1.00 13.38 H new ATOM 0 HB3 PRO A 20 13.706 11.715 43.450 1.00 13.38 H new ATOM 0 HG2 PRO A 20 16.237 10.447 43.109 1.00 13.79 H new ATOM 0 HG3 PRO A 20 15.168 10.655 41.993 1.00 13.79 H new ATOM 0 HD2 PRO A 20 17.030 12.435 42.242 1.00 13.75 H new ATOM 0 HD3 PRO A 20 15.605 12.917 41.829 1.00 13.75 H new ATOM 154 N ALA A 21 15.542 11.223 46.949 1.00 13.11 N ATOM 155 CA ALA A 21 16.347 10.577 47.995 1.00 13.51 C ATOM 156 C ALA A 21 16.159 9.068 47.859 1.00 14.68 C ATOM 157 O ALA A 21 16.759 8.250 48.557 1.00 16.11 O ATOM 158 CB ALA A 21 15.972 11.023 49.399 1.00 14.12 C ATOM 0 H ALA A 21 14.705 11.292 47.135 1.00 13.11 H new ATOM 0 HA ALA A 21 17.274 10.835 47.871 1.00 13.51 H new ATOM 0 HB1 ALA A 21 16.533 10.566 50.045 1.00 14.12 H new ATOM 0 HB2 ALA A 21 16.101 11.981 49.480 1.00 14.12 H new ATOM 0 HB3 ALA A 21 15.042 10.807 49.570 1.00 14.12 H new ATOM 159 N TYR A 22 15.274 8.705 46.934 1.00 15.28 N ATOM 160 CA TYR A 22 14.939 7.301 46.636 1.00 15.95 C ATOM 161 C TYR A 22 15.109 7.090 45.132 1.00 16.89 C ATOM 162 O TYR A 22 14.413 7.737 44.339 1.00 17.16 O ATOM 163 CB TYR A 22 13.540 6.938 47.092 1.00 17.78 C ATOM 164 CG TYR A 22 13.348 5.462 46.859 1.00 24.41 C ATOM 165 CD1 TYR A 22 14.032 4.514 47.607 1.00 28.63 C ATOM 166 CD2 TYR A 22 12.527 5.039 45.827 1.00 27.77 C ATOM 167 CE1 TYR A 22 13.866 3.166 47.361 1.00 30.16 C ATOM 168 CE2 TYR A 22 12.341 3.685 45.593 1.00 29.49 C ATOM 169 CZ TYR A 22 13.009 2.765 46.365 1.00 31.37 C ATOM 170 OH TYR A 22 12.796 1.429 46.108 1.00 35.24 O ATOM 0 H TYR A 22 14.842 9.271 46.452 1.00 15.28 H new ATOM 0 HA TYR A 22 15.535 6.714 47.127 1.00 15.95 H new ATOM 0 HB2 TYR A 22 13.422 7.152 48.031 1.00 17.78 H new ATOM 0 HB3 TYR A 22 12.879 7.449 46.599 1.00 17.78 H new ATOM 0 HD1 TYR A 22 14.609 4.790 48.282 1.00 28.63 H new ATOM 0 HD2 TYR A 22 12.099 5.665 45.289 1.00 27.77 H new ATOM 0 HE1 TYR A 22 14.329 2.536 47.864 1.00 30.16 H new ATOM 0 HE2 TYR A 22 11.768 3.401 44.918 1.00 29.49 H new ATOM 0 HH TYR A 22 12.249 1.349 45.475 1.00 35.24 H new ATOM 171 N ILE A 23 16.067 6.234 44.807 1.00 15.00 N ATOM 172 CA ILE A 23 16.380 6.015 43.397 1.00 14.95 C ATOM 173 C ILE A 23 16.161 4.553 43.093 1.00 16.19 C ATOM 174 O ILE A 23 16.779 3.716 43.738 1.00 16.30 O ATOM 175 CB ILE A 23 17.823 6.499 43.134 1.00 15.57 C ATOM 176 CG1 ILE A 23 17.975 7.974 43.544 1.00 18.73 C ATOM 177 CG2 ILE A 23 18.184 6.240 41.678 1.00 13.02 C ATOM 178 CD1 ILE A 23 19.096 8.290 44.513 1.00 15.88 C ATOM 0 H ILE A 23 16.537 5.780 45.366 1.00 15.00 H new ATOM 0 HA ILE A 23 15.804 6.521 42.803 1.00 14.95 H new ATOM 0 HB ILE A 23 18.451 6.000 43.680 1.00 15.57 H new ATOM 0 HG12 ILE A 23 18.110 8.501 42.741 1.00 18.73 H new ATOM 0 HG13 ILE A 23 17.139 8.268 43.939 1.00 18.73 H new ATOM 0 HG21 ILE A 23 19.090 6.543 41.510 1.00 13.02 H new ATOM 0 HG22 ILE A 23 18.122 5.290 41.493 1.00 13.02 H new ATOM 0 HG23 ILE A 23 17.570 6.722 41.102 1.00 13.02 H new ATOM 0 HD11 ILE A 23 19.102 9.241 44.703 1.00 15.88 H new ATOM 0 HD12 ILE A 23 18.960 7.797 45.337 1.00 15.88 H new ATOM 0 HD13 ILE A 23 19.945 8.034 44.120 1.00 15.88 H new ATOM 179 N LYS A 24 15.264 4.292 42.144 1.00 17.19 N ATOM 180 CA LYS A 24 15.013 2.867 41.757 1.00 19.43 C ATOM 181 C LYS A 24 15.869 2.685 40.492 1.00 19.30 C ATOM 182 O LYS A 24 15.698 3.508 39.574 1.00 19.35 O ATOM 183 CB LYS A 24 13.569 2.452 41.554 1.00 24.95 C ATOM 184 CG LYS A 24 13.269 0.996 41.197 1.00 43.12 C ATOM 185 CD LYS A 24 14.117 -0.062 41.877 1.00 49.29 C ATOM 186 CE LYS A 24 13.895 -1.464 41.336 1.00 51.54 C ATOM 187 NZ LYS A 24 14.038 -1.527 39.854 1.00 47.57 N ATOM 0 H LYS A 24 14.802 4.881 41.720 1.00 17.19 H new ATOM 0 HA LYS A 24 15.253 2.279 42.490 1.00 19.43 H new ATOM 0 HB2 LYS A 24 13.085 2.661 42.368 1.00 24.95 H new ATOM 0 HB3 LYS A 24 13.198 3.010 40.852 1.00 24.95 H new ATOM 0 HG2 LYS A 24 12.339 0.819 41.406 1.00 43.12 H new ATOM 0 HG3 LYS A 24 13.369 0.893 40.238 1.00 43.12 H new ATOM 0 HD2 LYS A 24 15.053 0.171 41.775 1.00 49.29 H new ATOM 0 HD3 LYS A 24 13.925 -0.057 42.828 1.00 49.29 H new ATOM 0 HE2 LYS A 24 14.530 -2.071 41.746 1.00 51.54 H new ATOM 0 HE3 LYS A 24 13.009 -1.769 41.587 1.00 51.54 H new ATOM 0 HZ1 LYS A 24 14.374 -2.318 39.621 1.00 47.57 H new ATOM 0 HZ2 LYS A 24 13.240 -1.420 39.474 1.00 47.57 H new ATOM 0 HZ3 LYS A 24 14.586 -0.881 39.581 1.00 47.57 H new ATOM 188 N ALA A 25 16.750 1.713 40.469 1.00 18.13 N ATOM 189 CA ALA A 25 17.621 1.528 39.302 1.00 18.51 C ATOM 190 C ALA A 25 17.786 0.038 39.037 1.00 20.12 C ATOM 191 O ALA A 25 17.357 -0.827 39.810 1.00 20.69 O ATOM 192 CB ALA A 25 18.922 2.302 39.538 1.00 16.26 C ATOM 0 H ALA A 25 16.870 1.147 41.105 1.00 18.13 H new ATOM 0 HA ALA A 25 17.239 1.893 38.489 1.00 18.51 H new ATOM 0 HB1 ALA A 25 19.509 2.189 38.774 1.00 16.26 H new ATOM 0 HB2 ALA A 25 18.722 3.244 39.655 1.00 16.26 H new ATOM 0 HB3 ALA A 25 19.360 1.964 40.335 1.00 16.26 H new ATOM 193 N ASN A 26 18.372 -0.226 37.879 1.00 19.62 N ATOM 194 CA ASN A 26 18.660 -1.542 37.360 1.00 19.37 C ATOM 195 C ASN A 26 20.140 -1.660 37.058 1.00 18.72 C ATOM 196 O ASN A 26 20.736 -0.628 36.760 1.00 18.05 O ATOM 197 CB ASN A 26 17.838 -1.827 36.092 1.00 30.10 C ATOM 198 CG ASN A 26 16.380 -2.140 36.452 1.00 40.00 C ATOM 199 OD1 ASN A 26 15.542 -1.396 35.919 1.00 49.82 O ATOM 200 ND2 ASN A 26 16.088 -3.137 37.298 1.00 37.12 N ATOM 0 H ASN A 26 18.626 0.400 37.346 1.00 19.62 H new ATOM 0 HA ASN A 26 18.415 -2.197 38.032 1.00 19.37 H new ATOM 0 HB2 ASN A 26 17.872 -1.060 35.499 1.00 30.10 H new ATOM 0 HB3 ASN A 26 18.225 -2.575 35.611 1.00 30.10 H new ATOM 0 HD21 ASN A 26 15.269 -3.298 37.507 1.00 37.12 H new ATOM 0 HD22 ASN A 26 16.719 -3.616 37.632 1.00 37.12 H new ATOM 201 N PRO A 27 20.639 -2.889 37.161 1.00 19.88 N ATOM 202 CA PRO A 27 22.072 -3.086 36.874 1.00 20.58 C ATOM 203 C PRO A 27 22.408 -2.396 35.559 1.00 20.21 C ATOM 204 O PRO A 27 21.654 -2.595 34.585 1.00 21.06 O ATOM 205 CB PRO A 27 22.203 -4.620 36.856 1.00 19.98 C ATOM 206 CG PRO A 27 21.087 -5.129 37.729 1.00 19.08 C ATOM 207 CD PRO A 27 19.950 -4.126 37.504 1.00 20.02 C ATOM 0 HA PRO A 27 22.695 -2.703 37.511 1.00 20.58 H new ATOM 0 HB2 PRO A 27 22.126 -4.967 35.953 1.00 19.98 H new ATOM 0 HB3 PRO A 27 23.067 -4.901 37.195 1.00 19.98 H new ATOM 0 HG2 PRO A 27 20.822 -6.028 37.478 1.00 19.08 H new ATOM 0 HG3 PRO A 27 21.352 -5.161 38.661 1.00 19.08 H new ATOM 0 HD2 PRO A 27 19.358 -4.413 36.791 1.00 20.02 H new ATOM 0 HD3 PRO A 27 19.405 -4.021 38.300 1.00 20.02 H new ATOM 208 N GLY A 28 23.484 -1.642 35.506 1.00 18.56 N ATOM 209 CA GLY A 28 23.856 -0.989 34.263 1.00 18.38 C ATOM 210 C GLY A 28 23.365 0.434 34.275 1.00 20.39 C ATOM 211 O GLY A 28 24.015 1.159 33.511 1.00 22.53 O ATOM 0 H GLY A 28 24.011 -1.493 36.169 1.00 18.56 H new ATOM 0 HA2 GLY A 28 24.820 -1.008 34.153 1.00 18.38 H new ATOM 0 HA3 GLY A 28 23.475 -1.466 33.509 1.00 18.38 H new ATOM 212 N ASP A 29 22.347 0.805 35.043 1.00 19.20 N ATOM 213 CA ASP A 29 21.934 2.232 35.035 1.00 17.57 C ATOM 214 C ASP A 29 22.992 3.130 35.622 1.00 17.60 C ATOM 215 O ASP A 29 23.902 2.688 36.331 1.00 18.91 O ATOM 216 CB ASP A 29 20.690 2.428 35.907 1.00 16.22 C ATOM 217 CG ASP A 29 19.460 1.863 35.221 1.00 20.92 C ATOM 218 OD1 ASP A 29 19.502 1.604 34.006 1.00 24.36 O ATOM 219 OD2 ASP A 29 18.450 1.734 35.917 1.00 21.48 O ATOM 0 H ASP A 29 21.893 0.286 35.557 1.00 19.20 H new ATOM 0 HA ASP A 29 21.772 2.460 34.106 1.00 17.57 H new ATOM 0 HB2 ASP A 29 20.818 1.991 36.764 1.00 16.22 H new ATOM 0 HB3 ASP A 29 20.561 3.372 36.087 1.00 16.22 H new ATOM 220 N THR A 30 22.888 4.429 35.367 1.00 17.13 N ATOM 221 CA THR A 30 23.832 5.407 35.923 1.00 14.86 C ATOM 222 C THR A 30 22.989 6.382 36.762 1.00 14.52 C ATOM 223 O THR A 30 21.815 6.590 36.450 1.00 14.29 O ATOM 224 CB THR A 30 24.696 6.184 34.926 1.00 18.28 C ATOM 225 OG1 THR A 30 23.828 6.887 34.052 1.00 19.48 O ATOM 226 CG2 THR A 30 25.534 5.265 34.064 1.00 14.29 C ATOM 0 H THR A 30 22.275 4.772 34.871 1.00 17.13 H new ATOM 0 HA THR A 30 24.490 4.908 36.431 1.00 14.86 H new ATOM 0 HB THR A 30 25.283 6.768 35.431 1.00 18.28 H new ATOM 0 HG1 THR A 30 23.575 7.598 34.420 1.00 19.48 H new ATOM 0 HG21 THR A 30 26.065 5.794 33.448 1.00 14.29 H new ATOM 0 HG22 THR A 30 26.122 4.739 34.628 1.00 14.29 H new ATOM 0 HG23 THR A 30 24.953 4.672 33.562 1.00 14.29 H new ATOM 227 N VAL A 31 23.600 6.856 37.804 1.00 13.99 N ATOM 228 CA VAL A 31 22.966 7.832 38.706 1.00 15.26 C ATOM 229 C VAL A 31 23.913 9.037 38.674 1.00 16.02 C ATOM 230 O VAL A 31 25.087 8.889 39.023 1.00 16.93 O ATOM 231 CB VAL A 31 22.692 7.266 40.091 1.00 22.83 C ATOM 232 CG1 VAL A 31 22.009 8.307 40.970 1.00 17.20 C ATOM 233 CG2 VAL A 31 21.833 5.994 40.047 1.00 16.47 C ATOM 0 H VAL A 31 24.400 6.635 38.030 1.00 13.99 H new ATOM 0 HA VAL A 31 22.075 8.088 38.421 1.00 15.26 H new ATOM 0 HB VAL A 31 23.554 7.030 40.468 1.00 22.83 H new ATOM 0 HG11 VAL A 31 21.842 7.930 41.848 1.00 17.20 H new ATOM 0 HG12 VAL A 31 22.583 9.085 41.056 1.00 17.20 H new ATOM 0 HG13 VAL A 31 21.167 8.570 40.566 1.00 17.20 H new ATOM 0 HG21 VAL A 31 21.686 5.671 40.950 1.00 16.47 H new ATOM 0 HG22 VAL A 31 20.979 6.194 39.632 1.00 16.47 H new ATOM 0 HG23 VAL A 31 22.291 5.312 39.531 1.00 16.47 H new ATOM 234 N THR A 32 23.388 10.152 38.203 1.00 14.36 N ATOM 235 CA THR A 32 24.183 11.369 38.117 1.00 15.40 C ATOM 236 C THR A 32 23.802 12.310 39.246 1.00 15.13 C ATOM 237 O THR A 32 22.660 12.742 39.335 1.00 15.16 O ATOM 238 CB THR A 32 23.947 12.041 36.757 1.00 22.09 C ATOM 239 OG1 THR A 32 24.292 11.054 35.773 1.00 21.71 O ATOM 240 CG2 THR A 32 24.775 13.322 36.665 1.00 19.31 C ATOM 0 H THR A 32 22.577 10.230 37.928 1.00 14.36 H new ATOM 0 HA THR A 32 25.124 11.149 38.199 1.00 15.40 H new ATOM 0 HB THR A 32 23.029 12.322 36.619 1.00 22.09 H new ATOM 0 HG1 THR A 32 23.609 10.607 35.572 1.00 21.71 H new ATOM 0 HG21 THR A 32 24.624 13.744 35.805 1.00 19.31 H new ATOM 0 HG22 THR A 32 24.511 13.930 37.374 1.00 19.31 H new ATOM 0 HG23 THR A 32 25.716 13.107 36.758 1.00 19.31 H new ATOM 241 N PHE A 33 24.779 12.555 40.095 1.00 16.33 N ATOM 242 CA PHE A 33 24.630 13.434 41.252 1.00 16.43 C ATOM 243 C PHE A 33 25.100 14.823 40.820 1.00 18.88 C ATOM 244 O PHE A 33 26.267 14.948 40.467 1.00 19.20 O ATOM 245 CB PHE A 33 25.431 12.961 42.468 1.00 17.07 C ATOM 246 CG PHE A 33 24.906 11.626 42.945 1.00 18.93 C ATOM 247 CD1 PHE A 33 25.360 10.440 42.375 1.00 22.62 C ATOM 248 CD2 PHE A 33 23.945 11.553 43.939 1.00 17.64 C ATOM 249 CE1 PHE A 33 24.882 9.218 42.799 1.00 16.04 C ATOM 250 CE2 PHE A 33 23.447 10.343 44.365 1.00 15.44 C ATOM 251 CZ PHE A 33 23.929 9.170 43.798 1.00 17.87 C ATOM 0 H PHE A 33 25.564 12.213 40.020 1.00 16.33 H new ATOM 0 HA PHE A 33 23.701 13.436 41.531 1.00 16.43 H new ATOM 0 HB2 PHE A 33 26.370 12.884 42.236 1.00 17.07 H new ATOM 0 HB3 PHE A 33 25.368 13.616 43.181 1.00 17.07 H new ATOM 0 HD1 PHE A 33 25.996 10.472 41.697 1.00 22.62 H new ATOM 0 HD2 PHE A 33 23.630 12.337 44.327 1.00 17.64 H new ATOM 0 HE1 PHE A 33 25.199 8.432 42.415 1.00 16.04 H new ATOM 0 HE2 PHE A 33 22.794 10.311 45.026 1.00 15.44 H new ATOM 0 HZ PHE A 33 23.608 8.348 44.092 1.00 17.87 H new ATOM 252 N ILE A 34 24.196 15.787 40.865 1.00 19.08 N ATOM 253 CA ILE A 34 24.467 17.156 40.493 1.00 19.99 C ATOM 254 C ILE A 34 24.444 18.080 41.693 1.00 22.03 C ATOM 255 O ILE A 34 23.425 18.213 42.350 1.00 20.67 O ATOM 256 CB ILE A 34 23.368 17.629 39.520 1.00 24.11 C ATOM 257 CG1 ILE A 34 23.345 16.717 38.296 1.00 18.47 C ATOM 258 CG2 ILE A 34 23.639 19.076 39.156 1.00 23.32 C ATOM 259 CD1 ILE A 34 22.238 17.061 37.339 1.00 24.30 C ATOM 0 H ILE A 34 23.385 15.656 41.121 1.00 19.08 H new ATOM 0 HA ILE A 34 25.349 17.186 40.090 1.00 19.99 H new ATOM 0 HB ILE A 34 22.491 17.579 39.931 1.00 24.11 H new ATOM 0 HG12 ILE A 34 24.197 16.778 37.835 1.00 18.47 H new ATOM 0 HG13 ILE A 34 23.244 15.796 38.585 1.00 18.47 H new ATOM 0 HG21 ILE A 34 22.955 19.389 38.543 1.00 23.32 H new ATOM 0 HG22 ILE A 34 23.627 19.620 39.959 1.00 23.32 H new ATOM 0 HG23 ILE A 34 24.509 19.146 38.732 1.00 23.32 H new ATOM 0 HD11 ILE A 34 22.265 16.456 36.581 1.00 24.30 H new ATOM 0 HD12 ILE A 34 21.383 16.976 37.789 1.00 24.30 H new ATOM 0 HD13 ILE A 34 22.350 17.973 37.028 1.00 24.30 H new ATOM 260 N PRO A 35 25.585 18.691 41.944 1.00 25.26 N ATOM 261 CA PRO A 35 25.734 19.646 43.063 1.00 27.07 C ATOM 262 C PRO A 35 25.119 20.990 42.708 1.00 28.74 C ATOM 263 O PRO A 35 25.823 21.915 42.265 1.00 30.69 O ATOM 264 CB PRO A 35 27.238 19.696 43.260 1.00 27.99 C ATOM 265 CG PRO A 35 27.684 19.657 41.809 1.00 28.82 C ATOM 266 CD PRO A 35 26.828 18.536 41.177 1.00 26.50 C ATOM 0 HA PRO A 35 25.274 19.389 43.878 1.00 27.07 H new ATOM 0 HB2 PRO A 35 27.527 20.501 43.717 1.00 27.99 H new ATOM 0 HB3 PRO A 35 27.572 18.943 43.773 1.00 27.99 H new ATOM 0 HG2 PRO A 35 27.533 20.508 41.369 1.00 28.82 H new ATOM 0 HG3 PRO A 35 28.632 19.463 41.735 1.00 28.82 H new ATOM 0 HD2 PRO A 35 26.694 18.665 40.225 1.00 26.50 H new ATOM 0 HD3 PRO A 35 27.226 17.659 41.291 1.00 26.50 H new ATOM 267 N VAL A 36 23.802 21.046 42.908 1.00 28.05 N ATOM 268 CA VAL A 36 23.031 22.258 42.629 1.00 27.37 C ATOM 269 C VAL A 36 23.625 23.320 43.550 1.00 28.04 C ATOM 270 O VAL A 36 23.976 24.415 43.083 1.00 29.18 O ATOM 271 CB VAL A 36 21.530 22.063 42.733 1.00 28.37 C ATOM 272 CG1 VAL A 36 20.791 23.360 42.438 1.00 24.53 C ATOM 273 CG2 VAL A 36 21.109 21.035 41.693 1.00 27.79 C ATOM 0 H VAL A 36 23.334 20.389 43.206 1.00 28.05 H new ATOM 0 HA VAL A 36 23.110 22.538 41.704 1.00 27.37 H new ATOM 0 HB VAL A 36 21.314 21.772 43.633 1.00 28.37 H new ATOM 0 HG11 VAL A 36 19.835 23.212 42.510 1.00 24.53 H new ATOM 0 HG12 VAL A 36 21.062 24.039 43.076 1.00 24.53 H new ATOM 0 HG13 VAL A 36 21.005 23.657 41.540 1.00 24.53 H new ATOM 0 HG21 VAL A 36 20.150 20.897 41.744 1.00 27.79 H new ATOM 0 HG22 VAL A 36 21.342 21.356 40.808 1.00 27.79 H new ATOM 0 HG23 VAL A 36 21.566 20.196 41.863 1.00 27.79 H new ATOM 274 N ASP A 37 23.783 22.987 44.796 1.00 26.19 N ATOM 275 CA ASP A 37 24.406 23.890 45.764 1.00 25.96 C ATOM 276 C ASP A 37 25.807 23.337 45.969 1.00 26.20 C ATOM 277 O ASP A 37 26.028 22.141 45.786 1.00 25.76 O ATOM 278 CB ASP A 37 23.587 24.001 47.036 1.00 26.48 C ATOM 279 CG ASP A 37 22.248 24.657 46.732 1.00 27.49 C ATOM 280 OD1 ASP A 37 22.281 25.638 45.957 1.00 35.75 O ATOM 281 OD2 ASP A 37 21.182 24.237 47.210 1.00 26.99 O ATOM 0 H ASP A 37 23.537 22.231 45.124 1.00 26.19 H new ATOM 0 HA ASP A 37 24.450 24.806 45.449 1.00 25.96 H new ATOM 0 HB2 ASP A 37 23.446 23.120 47.417 1.00 26.48 H new ATOM 0 HB3 ASP A 37 24.069 24.522 47.697 1.00 26.48 H new ATOM 282 N LYS A 38 26.727 24.224 46.331 1.00 26.78 N ATOM 283 CA LYS A 38 28.109 23.782 46.569 1.00 26.02 C ATOM 284 C LYS A 38 28.226 23.267 48.007 1.00 25.11 C ATOM 285 O LYS A 38 27.414 23.598 48.888 1.00 24.44 O ATOM 286 CB LYS A 38 29.104 24.882 46.265 1.00 40.16 C ATOM 287 CG LYS A 38 29.069 25.469 44.860 1.00 54.31 C ATOM 288 CD LYS A 38 30.336 26.284 44.604 1.00 70.57 C ATOM 289 CE LYS A 38 30.048 27.675 44.069 1.00 85.85 C ATOM 290 NZ LYS A 38 31.000 28.737 44.513 1.00 91.04 N ATOM 0 H LYS A 38 26.584 25.065 46.443 1.00 26.78 H new ATOM 0 HA LYS A 38 28.326 23.056 45.964 1.00 26.02 H new ATOM 0 HB2 LYS A 38 28.961 25.603 46.898 1.00 40.16 H new ATOM 0 HB3 LYS A 38 29.996 24.536 46.426 1.00 40.16 H new ATOM 0 HG2 LYS A 38 28.995 24.757 44.205 1.00 54.31 H new ATOM 0 HG3 LYS A 38 28.286 26.032 44.756 1.00 54.31 H new ATOM 0 HD2 LYS A 38 30.839 26.358 45.430 1.00 70.57 H new ATOM 0 HD3 LYS A 38 30.898 25.809 43.971 1.00 70.57 H new ATOM 0 HE2 LYS A 38 30.053 27.641 43.100 1.00 85.85 H new ATOM 0 HE3 LYS A 38 29.152 27.931 44.339 1.00 85.85 H new ATOM 0 HZ1 LYS A 38 30.762 29.517 44.157 1.00 91.04 H new ATOM 0 HZ2 LYS A 38 30.983 28.799 45.401 1.00 91.04 H new ATOM 0 HZ3 LYS A 38 31.823 28.529 44.246 1.00 91.04 H new ATOM 291 N GLY A 39 29.287 22.492 48.201 1.00 23.47 N ATOM 292 CA GLY A 39 29.553 21.921 49.510 1.00 24.08 C ATOM 293 C GLY A 39 29.115 20.470 49.635 1.00 24.45 C ATOM 294 O GLY A 39 29.237 19.964 50.744 1.00 26.35 O ATOM 0 H GLY A 39 29.859 22.287 47.593 1.00 23.47 H new ATOM 0 HA2 GLY A 39 30.503 21.982 49.695 1.00 24.08 H new ATOM 0 HA3 GLY A 39 29.098 22.449 50.185 1.00 24.08 H new ATOM 295 N HIS A 40 28.649 19.872 48.575 1.00 23.72 N ATOM 296 CA HIS A 40 28.176 18.481 48.599 1.00 22.86 C ATOM 297 C HIS A 40 29.023 17.525 47.775 1.00 21.98 C ATOM 298 O HIS A 40 29.762 17.904 46.855 1.00 21.07 O ATOM 299 CB HIS A 40 26.743 18.484 48.019 1.00 17.12 C ATOM 300 CG HIS A 40 25.892 19.461 48.776 1.00 17.03 C ATOM 301 ND1 HIS A 40 25.677 19.291 50.131 1.00 23.06 N ATOM 302 CD2 HIS A 40 25.197 20.561 48.412 1.00 17.80 C ATOM 303 CE1 HIS A 40 24.887 20.234 50.595 1.00 18.05 C ATOM 304 NE2 HIS A 40 24.572 20.994 49.569 1.00 18.58 N ATOM 0 H HIS A 40 28.590 20.249 47.804 1.00 23.72 H new ATOM 0 HA HIS A 40 28.223 18.167 49.516 1.00 22.86 H new ATOM 0 HB2 HIS A 40 26.766 18.722 47.079 1.00 17.12 H new ATOM 0 HB3 HIS A 40 26.359 17.595 48.077 1.00 17.12 H new ATOM 0 HD2 HIS A 40 25.149 20.945 47.566 1.00 17.80 H new ATOM 0 HE1 HIS A 40 24.606 20.342 51.475 1.00 18.05 H new ATOM 0 HE2 HIS A 40 24.045 21.673 49.611 1.00 18.58 H new ATOM 305 N ASN A 41 28.893 16.256 48.134 1.00 19.90 N ATOM 306 CA ASN A 41 29.579 15.174 47.414 1.00 18.73 C ATOM 307 C ASN A 41 28.670 13.958 47.669 1.00 17.16 C ATOM 308 O ASN A 41 27.596 14.117 48.271 1.00 15.82 O ATOM 309 CB ASN A 41 31.017 14.957 47.845 1.00 16.74 C ATOM 310 CG ASN A 41 31.165 14.189 49.145 1.00 13.81 C ATOM 311 OD1 ASN A 41 30.333 14.390 50.048 1.00 20.26 O ATOM 312 ND2 ASN A 41 32.136 13.299 49.219 1.00 16.07 N ATOM 0 H ASN A 41 28.411 15.992 48.795 1.00 19.90 H new ATOM 0 HA ASN A 41 29.689 15.371 46.471 1.00 18.73 H new ATOM 0 HB2 ASN A 41 31.486 14.479 47.143 1.00 16.74 H new ATOM 0 HB3 ASN A 41 31.450 15.820 47.939 1.00 16.74 H new ATOM 0 HD21 ASN A 41 32.222 12.814 49.924 1.00 16.07 H new ATOM 0 HD22 ASN A 41 32.683 13.204 48.562 1.00 16.07 H new ATOM 313 N VAL A 42 29.105 12.818 47.217 1.00 17.25 N ATOM 314 CA VAL A 42 28.334 11.569 47.433 1.00 17.71 C ATOM 315 C VAL A 42 29.365 10.521 47.822 1.00 17.23 C ATOM 316 O VAL A 42 30.475 10.483 47.284 1.00 18.78 O ATOM 317 CB VAL A 42 27.441 11.240 46.234 1.00 18.78 C ATOM 318 CG1 VAL A 42 28.285 10.868 45.038 1.00 20.74 C ATOM 319 CG2 VAL A 42 26.477 10.134 46.675 1.00 23.51 C ATOM 0 H VAL A 42 29.839 12.717 46.780 1.00 17.25 H new ATOM 0 HA VAL A 42 27.682 11.635 48.148 1.00 17.71 H new ATOM 0 HB VAL A 42 26.919 12.007 45.950 1.00 18.78 H new ATOM 0 HG11 VAL A 42 27.708 10.662 44.286 1.00 20.74 H new ATOM 0 HG12 VAL A 42 28.864 11.611 44.807 1.00 20.74 H new ATOM 0 HG13 VAL A 42 28.826 10.092 45.252 1.00 20.74 H new ATOM 0 HG21 VAL A 42 25.893 9.900 45.936 1.00 23.51 H new ATOM 0 HG22 VAL A 42 26.983 9.353 46.947 1.00 23.51 H new ATOM 0 HG23 VAL A 42 25.943 10.449 47.421 1.00 23.51 H new ATOM 320 N GLU A 43 29.022 9.756 48.824 1.00 15.94 N ATOM 321 CA GLU A 43 29.880 8.708 49.339 1.00 15.51 C ATOM 322 C GLU A 43 29.043 7.515 49.797 1.00 15.85 C ATOM 323 O GLU A 43 27.982 7.719 50.431 1.00 15.93 O ATOM 324 CB GLU A 43 30.723 9.272 50.488 1.00 17.76 C ATOM 325 CG GLU A 43 31.757 8.230 50.879 1.00 27.93 C ATOM 326 CD GLU A 43 32.451 8.542 52.181 1.00 30.48 C ATOM 327 OE1 GLU A 43 32.341 9.702 52.634 1.00 27.56 O ATOM 328 OE2 GLU A 43 33.102 7.625 52.714 1.00 35.42 O ATOM 0 H GLU A 43 28.271 9.826 49.237 1.00 15.94 H new ATOM 0 HA GLU A 43 30.475 8.395 48.639 1.00 15.51 H new ATOM 0 HB2 GLU A 43 31.159 10.094 50.215 1.00 17.76 H new ATOM 0 HB3 GLU A 43 30.158 9.489 51.246 1.00 17.76 H new ATOM 0 HG2 GLU A 43 31.325 7.364 50.949 1.00 27.93 H new ATOM 0 HG3 GLU A 43 32.420 8.160 50.174 1.00 27.93 H new ATOM 329 N SER A 44 29.524 6.331 49.419 1.00 14.82 N ATOM 330 CA SER A 44 28.818 5.098 49.824 1.00 16.12 C ATOM 331 C SER A 44 29.062 4.985 51.341 1.00 18.02 C ATOM 332 O SER A 44 30.145 5.385 51.800 1.00 18.72 O ATOM 333 CB SER A 44 29.268 3.819 49.143 1.00 15.37 C ATOM 334 OG SER A 44 30.684 3.729 49.127 1.00 16.06 O ATOM 0 H SER A 44 30.232 6.213 48.945 1.00 14.82 H new ATOM 0 HA SER A 44 27.887 5.180 49.563 1.00 16.12 H new ATOM 0 HB2 SER A 44 28.896 3.052 49.607 1.00 15.37 H new ATOM 0 HB3 SER A 44 28.928 3.794 48.235 1.00 15.37 H new ATOM 0 HG SER A 44 31.003 4.223 49.727 1.00 16.06 H new ATOM 335 N ILE A 45 28.069 4.518 52.069 1.00 17.88 N ATOM 336 CA ILE A 45 28.196 4.345 53.523 1.00 19.23 C ATOM 337 C ILE A 45 28.705 2.899 53.722 1.00 20.58 C ATOM 338 O ILE A 45 28.259 1.925 53.080 1.00 17.98 O ATOM 339 CB ILE A 45 26.894 4.586 54.287 1.00 23.49 C ATOM 340 CG1 ILE A 45 26.404 6.019 54.117 1.00 17.68 C ATOM 341 CG2 ILE A 45 27.036 4.232 55.772 1.00 18.89 C ATOM 342 CD1 ILE A 45 24.989 6.234 54.588 1.00 13.50 C ATOM 0 H ILE A 45 27.304 4.291 51.749 1.00 17.88 H new ATOM 0 HA ILE A 45 28.806 5.007 53.885 1.00 19.23 H new ATOM 0 HB ILE A 45 26.227 3.995 53.904 1.00 23.49 H new ATOM 0 HG12 ILE A 45 26.993 6.614 54.606 1.00 17.68 H new ATOM 0 HG13 ILE A 45 26.466 6.265 53.181 1.00 17.68 H new ATOM 0 HG21 ILE A 45 26.195 4.396 56.226 1.00 18.89 H new ATOM 0 HG22 ILE A 45 27.273 3.296 55.860 1.00 18.89 H new ATOM 0 HG23 ILE A 45 27.730 4.780 56.171 1.00 18.89 H new ATOM 0 HD11 ILE A 45 24.740 7.162 54.453 1.00 13.50 H new ATOM 0 HD12 ILE A 45 24.389 5.662 54.084 1.00 13.50 H new ATOM 0 HD13 ILE A 45 24.925 6.017 55.531 1.00 13.50 H new ATOM 343 N LYS A 46 29.697 2.821 54.628 1.00 20.70 N ATOM 344 CA LYS A 46 30.296 1.495 54.915 1.00 21.29 C ATOM 345 C LYS A 46 29.244 0.499 55.409 1.00 18.84 C ATOM 346 O LYS A 46 28.408 0.817 56.260 1.00 19.03 O ATOM 347 CB LYS A 46 31.444 1.698 55.911 1.00 31.17 C ATOM 348 CG LYS A 46 32.365 0.484 56.001 1.00 47.28 C ATOM 349 CD LYS A 46 33.290 0.655 57.204 1.00 65.71 C ATOM 350 CE LYS A 46 33.182 -0.568 58.113 1.00 73.14 C ATOM 351 NZ LYS A 46 32.973 -0.144 59.536 1.00 79.86 N ATOM 0 H LYS A 46 30.025 3.483 55.068 1.00 20.70 H new ATOM 0 HA LYS A 46 30.653 1.103 54.103 1.00 21.29 H new ATOM 0 HB2 LYS A 46 31.963 2.474 55.648 1.00 31.17 H new ATOM 0 HB3 LYS A 46 31.077 1.887 56.789 1.00 31.17 H new ATOM 0 HG2 LYS A 46 31.842 -0.328 56.092 1.00 47.28 H new ATOM 0 HG3 LYS A 46 32.885 0.396 55.187 1.00 47.28 H new ATOM 0 HD2 LYS A 46 34.206 0.767 56.906 1.00 65.71 H new ATOM 0 HD3 LYS A 46 33.051 1.457 57.695 1.00 65.71 H new ATOM 0 HE2 LYS A 46 32.445 -1.129 57.825 1.00 73.14 H new ATOM 0 HE3 LYS A 46 33.989 -1.102 58.044 1.00 73.14 H new ATOM 0 HZ1 LYS A 46 32.912 -0.865 60.055 1.00 79.86 H new ATOM 0 HZ2 LYS A 46 33.661 0.355 59.801 1.00 79.86 H new ATOM 0 HZ3 LYS A 46 32.222 0.330 59.598 1.00 79.86 H new ATOM 352 N ASP A 47 29.268 -0.684 54.832 1.00 20.16 N ATOM 353 CA ASP A 47 28.370 -1.786 55.150 1.00 21.30 C ATOM 354 C ASP A 47 26.934 -1.447 54.730 1.00 20.21 C ATOM 355 O ASP A 47 26.071 -2.231 55.175 1.00 20.53 O ATOM 356 CB ASP A 47 28.264 -2.253 56.606 1.00 29.17 C ATOM 357 CG ASP A 47 29.576 -2.645 57.265 1.00 53.54 C ATOM 358 OD1 ASP A 47 30.458 -3.128 56.504 1.00 41.35 O ATOM 359 OD2 ASP A 47 29.641 -2.430 58.515 1.00 63.31 O ATOM 0 H ASP A 47 29.833 -0.882 54.214 1.00 20.16 H new ATOM 0 HA ASP A 47 28.788 -2.510 54.658 1.00 21.30 H new ATOM 0 HB2 ASP A 47 27.857 -1.544 57.128 1.00 29.17 H new ATOM 0 HB3 ASP A 47 27.662 -3.013 56.642 1.00 29.17 H new ATOM 360 N MET A 48 26.776 -0.396 53.948 1.00 18.61 N ATOM 361 CA MET A 48 25.418 -0.083 53.498 1.00 17.18 C ATOM 362 C MET A 48 25.305 -0.031 51.976 1.00 19.09 C ATOM 363 O MET A 48 24.484 0.699 51.431 1.00 18.98 O ATOM 364 CB MET A 48 24.829 1.127 54.171 1.00 12.85 C ATOM 365 CG MET A 48 24.623 0.841 55.679 1.00 14.79 C ATOM 366 SD MET A 48 23.858 2.297 56.381 1.00 23.13 S ATOM 367 CE MET A 48 24.748 2.471 57.931 1.00 20.50 C ATOM 0 H MET A 48 27.399 0.129 53.674 1.00 18.61 H new ATOM 0 HA MET A 48 24.867 -0.828 53.787 1.00 17.18 H new ATOM 0 HB2 MET A 48 25.417 1.890 54.055 1.00 12.85 H new ATOM 0 HB3 MET A 48 23.982 1.357 53.758 1.00 12.85 H new ATOM 0 HG2 MET A 48 24.061 0.061 55.808 1.00 14.79 H new ATOM 0 HG3 MET A 48 25.470 0.655 56.113 1.00 14.79 H new ATOM 0 HE1 MET A 48 24.403 3.235 58.419 1.00 20.50 H new ATOM 0 HE2 MET A 48 24.631 1.669 58.463 1.00 20.50 H new ATOM 0 HE3 MET A 48 25.692 2.603 57.749 1.00 20.50 H new ATOM 368 N ILE A 49 26.120 -0.857 51.342 1.00 18.48 N ATOM 369 CA ILE A 49 26.103 -1.088 49.891 1.00 19.75 C ATOM 370 C ILE A 49 26.115 -2.623 49.793 1.00 20.68 C ATOM 371 O ILE A 49 26.536 -3.264 50.785 1.00 21.03 O ATOM 372 CB ILE A 49 27.131 -0.344 49.083 1.00 19.53 C ATOM 373 CG1 ILE A 49 28.553 -0.737 49.478 1.00 21.28 C ATOM 374 CG2 ILE A 49 26.865 1.145 49.297 1.00 18.33 C ATOM 375 CD1 ILE A 49 29.459 -0.265 48.351 1.00 21.25 C ATOM 0 H ILE A 49 26.721 -1.318 51.750 1.00 18.48 H new ATOM 0 HA ILE A 49 25.323 -0.704 49.462 1.00 19.75 H new ATOM 0 HB ILE A 49 27.057 -0.568 48.142 1.00 19.53 H new ATOM 0 HG12 ILE A 49 28.804 -0.324 50.319 1.00 21.28 H new ATOM 0 HG13 ILE A 49 28.625 -1.697 49.600 1.00 21.28 H new ATOM 0 HG21 ILE A 49 27.509 1.665 48.791 1.00 18.33 H new ATOM 0 HG22 ILE A 49 25.968 1.360 48.996 1.00 18.33 H new ATOM 0 HG23 ILE A 49 26.949 1.357 50.240 1.00 18.33 H new ATOM 0 HD11 ILE A 49 30.379 -0.494 48.558 1.00 21.25 H new ATOM 0 HD12 ILE A 49 29.197 -0.697 47.523 1.00 21.25 H new ATOM 0 HD13 ILE A 49 29.380 0.697 48.253 1.00 21.25 H new ATOM 376 N PRO A 50 25.589 -3.183 48.724 1.00 20.74 N ATOM 377 CA PRO A 50 25.497 -4.630 48.549 1.00 22.97 C ATOM 378 C PRO A 50 26.838 -5.333 48.521 1.00 26.82 C ATOM 379 O PRO A 50 27.869 -4.734 48.199 1.00 27.06 O ATOM 380 CB PRO A 50 24.792 -4.819 47.211 1.00 20.25 C ATOM 381 CG PRO A 50 24.118 -3.529 46.944 1.00 19.30 C ATOM 382 CD PRO A 50 25.038 -2.474 47.564 1.00 19.92 C ATOM 0 HA PRO A 50 25.026 -5.020 49.302 1.00 22.97 H new ATOM 0 HB2 PRO A 50 25.425 -5.036 46.509 1.00 20.25 H new ATOM 0 HB3 PRO A 50 24.152 -5.547 47.251 1.00 20.25 H new ATOM 0 HG2 PRO A 50 24.004 -3.381 45.992 1.00 19.30 H new ATOM 0 HG3 PRO A 50 23.234 -3.504 47.343 1.00 19.30 H new ATOM 0 HD2 PRO A 50 25.733 -2.193 46.948 1.00 19.92 H new ATOM 0 HD3 PRO A 50 24.551 -1.677 47.825 1.00 19.92 H new ATOM 383 N GLU A 51 26.772 -6.615 48.855 1.00 31.61 N ATOM 384 CA GLU A 51 27.954 -7.479 48.837 1.00 35.55 C ATOM 385 C GLU A 51 28.555 -7.426 47.417 1.00 37.10 C ATOM 386 O GLU A 51 27.824 -7.781 46.451 1.00 37.48 O ATOM 387 CB GLU A 51 27.518 -8.916 49.142 1.00 60.46 C ATOM 388 CG GLU A 51 27.177 -9.344 50.554 1.00 71.20 C ATOM 389 CD GLU A 51 28.386 -9.133 51.459 1.00 88.55 C ATOM 390 OE1 GLU A 51 29.422 -9.795 51.212 1.00 98.01 O ATOM 391 OE2 GLU A 51 28.292 -8.296 52.386 1.00 92.97 O ATOM 0 H GLU A 51 26.048 -7.010 49.098 1.00 31.61 H new ATOM 0 HA GLU A 51 28.605 -7.188 49.495 1.00 35.55 H new ATOM 0 HB2 GLU A 51 26.739 -9.099 48.594 1.00 60.46 H new ATOM 0 HB3 GLU A 51 28.227 -9.500 48.831 1.00 60.46 H new ATOM 0 HG2 GLU A 51 26.422 -8.832 50.883 1.00 71.20 H new ATOM 0 HG3 GLU A 51 26.913 -10.277 50.564 1.00 71.20 H new ATOM 392 N GLY A 52 29.805 -6.979 47.307 1.00 37.08 N ATOM 393 CA GLY A 52 30.431 -6.937 45.985 1.00 37.64 C ATOM 394 C GLY A 52 30.445 -5.646 45.197 1.00 36.92 C ATOM 395 O GLY A 52 31.133 -5.544 44.156 1.00 37.36 O ATOM 0 H GLY A 52 30.294 -6.704 47.959 1.00 37.08 H new ATOM 0 HA2 GLY A 52 31.353 -7.219 46.093 1.00 37.64 H new ATOM 0 HA3 GLY A 52 29.992 -7.605 45.436 1.00 37.64 H new ATOM 396 N ALA A 53 29.686 -4.680 45.704 1.00 34.92 N ATOM 397 CA ALA A 53 29.616 -3.365 45.067 1.00 31.64 C ATOM 398 C ALA A 53 30.944 -2.742 45.515 1.00 30.17 C ATOM 399 O ALA A 53 31.429 -3.201 46.549 1.00 29.89 O ATOM 400 CB ALA A 53 28.421 -2.594 45.570 1.00 24.42 C ATOM 0 H ALA A 53 29.205 -4.763 46.412 1.00 34.92 H new ATOM 0 HA ALA A 53 29.506 -3.382 44.103 1.00 31.64 H new ATOM 0 HB1 ALA A 53 28.390 -1.726 45.138 1.00 24.42 H new ATOM 0 HB2 ALA A 53 27.610 -3.085 45.366 1.00 24.42 H new ATOM 0 HB3 ALA A 53 28.494 -2.474 46.530 1.00 24.42 H new ATOM 401 N GLU A 54 31.397 -1.813 44.733 1.00 29.78 N ATOM 402 CA GLU A 54 32.615 -1.066 45.034 1.00 30.56 C ATOM 403 C GLU A 54 32.175 0.252 45.707 1.00 29.41 C ATOM 404 O GLU A 54 31.213 0.929 45.335 1.00 28.95 O ATOM 405 CB GLU A 54 33.414 -0.813 43.768 1.00 55.02 C ATOM 406 CG GLU A 54 34.212 -1.973 43.187 1.00 84.31 C ATOM 407 CD GLU A 54 35.546 -2.222 43.873 1.00 97.30 C ATOM 408 OE1 GLU A 54 36.409 -1.303 43.878 1.00 99.90 O ATOM 409 OE2 GLU A 54 35.744 -3.340 44.413 1.00 99.90 O ATOM 0 H GLU A 54 31.015 -1.581 43.998 1.00 29.78 H new ATOM 0 HA GLU A 54 33.197 -1.566 45.627 1.00 30.56 H new ATOM 0 HB2 GLU A 54 32.799 -0.503 43.085 1.00 55.02 H new ATOM 0 HB3 GLU A 54 34.031 -0.086 43.946 1.00 55.02 H new ATOM 0 HG2 GLU A 54 33.676 -2.780 43.242 1.00 84.31 H new ATOM 0 HG3 GLU A 54 34.371 -1.802 42.246 1.00 84.31 H new ATOM 410 N LYS A 55 32.907 0.585 46.741 1.00 27.38 N ATOM 411 CA LYS A 55 32.780 1.767 47.569 1.00 27.80 C ATOM 412 C LYS A 55 33.071 2.949 46.655 1.00 27.37 C ATOM 413 O LYS A 55 33.847 2.732 45.715 1.00 28.44 O ATOM 414 CB LYS A 55 33.772 1.687 48.730 1.00 36.35 C ATOM 415 CG LYS A 55 33.539 0.514 49.666 1.00 67.63 C ATOM 416 CD LYS A 55 33.288 -0.843 49.040 1.00 86.80 C ATOM 417 CE LYS A 55 34.423 -1.834 48.942 1.00 89.22 C ATOM 418 NZ LYS A 55 35.443 -1.598 47.884 1.00 89.06 N ATOM 0 H LYS A 55 33.552 0.082 47.005 1.00 27.38 H new ATOM 0 HA LYS A 55 31.897 1.854 47.962 1.00 27.80 H new ATOM 0 HB2 LYS A 55 34.671 1.628 48.371 1.00 36.35 H new ATOM 0 HB3 LYS A 55 33.724 2.510 49.241 1.00 36.35 H new ATOM 0 HG2 LYS A 55 34.312 0.437 50.247 1.00 67.63 H new ATOM 0 HG3 LYS A 55 32.780 0.728 50.231 1.00 67.63 H new ATOM 0 HD2 LYS A 55 32.573 -1.267 49.540 1.00 86.80 H new ATOM 0 HD3 LYS A 55 32.954 -0.692 48.142 1.00 86.80 H new ATOM 0 HE2 LYS A 55 34.878 -1.856 49.798 1.00 89.22 H new ATOM 0 HE3 LYS A 55 34.042 -2.715 48.801 1.00 89.22 H new ATOM 0 HZ1 LYS A 55 36.060 -2.238 47.918 1.00 89.06 H new ATOM 0 HZ2 LYS A 55 35.050 -1.607 47.085 1.00 89.06 H new ATOM 0 HZ3 LYS A 55 35.829 -0.807 48.015 1.00 89.06 H new ATOM 419 N PHE A 56 32.489 4.108 46.888 1.00 25.91 N ATOM 420 CA PHE A 56 32.724 5.273 46.029 1.00 24.60 C ATOM 421 C PHE A 56 32.622 6.523 46.898 1.00 25.24 C ATOM 422 O PHE A 56 32.035 6.487 47.991 1.00 23.92 O ATOM 423 CB PHE A 56 31.751 5.405 44.858 1.00 24.81 C ATOM 424 CG PHE A 56 30.307 5.280 45.216 1.00 22.36 C ATOM 425 CD1 PHE A 56 29.755 3.999 45.264 1.00 23.95 C ATOM 426 CD2 PHE A 56 29.512 6.377 45.511 1.00 22.68 C ATOM 427 CE1 PHE A 56 28.424 3.777 45.587 1.00 23.70 C ATOM 428 CE2 PHE A 56 28.183 6.160 45.841 1.00 20.99 C ATOM 429 CZ PHE A 56 27.636 4.882 45.877 1.00 24.92 C ATOM 0 H PHE A 56 31.949 4.251 47.541 1.00 25.91 H new ATOM 0 HA PHE A 56 33.602 5.160 45.633 1.00 24.60 H new ATOM 0 HB2 PHE A 56 31.891 6.266 44.435 1.00 24.81 H new ATOM 0 HB3 PHE A 56 31.966 4.727 44.199 1.00 24.81 H new ATOM 0 HD1 PHE A 56 30.298 3.269 45.073 1.00 23.95 H new ATOM 0 HD2 PHE A 56 29.862 7.238 45.488 1.00 22.68 H new ATOM 0 HE1 PHE A 56 28.072 2.917 45.608 1.00 23.70 H new ATOM 0 HE2 PHE A 56 27.643 6.889 46.044 1.00 20.99 H new ATOM 0 HZ PHE A 56 26.739 4.767 46.096 1.00 24.92 H new ATOM 430 N LYS A 57 33.220 7.558 46.338 1.00 24.27 N ATOM 431 CA LYS A 57 33.214 8.840 47.049 1.00 25.54 C ATOM 432 C LYS A 57 33.636 9.893 46.063 1.00 25.55 C ATOM 433 O LYS A 57 34.768 9.810 45.579 1.00 29.76 O ATOM 434 CB LYS A 57 34.147 8.751 48.256 1.00 23.46 C ATOM 435 CG LYS A 57 34.195 10.094 48.938 1.00 26.88 C ATOM 436 CD LYS A 57 35.189 10.101 50.082 1.00 37.57 C ATOM 437 CE LYS A 57 35.324 11.540 50.568 1.00 42.84 C ATOM 438 NZ LYS A 57 36.001 11.561 51.897 1.00 58.95 N ATOM 0 H LYS A 57 33.622 7.552 45.578 1.00 24.27 H new ATOM 0 HA LYS A 57 32.336 9.068 47.393 1.00 25.54 H new ATOM 0 HB2 LYS A 57 33.832 8.073 48.874 1.00 23.46 H new ATOM 0 HB3 LYS A 57 35.036 8.487 47.973 1.00 23.46 H new ATOM 0 HG2 LYS A 57 34.437 10.777 48.293 1.00 26.88 H new ATOM 0 HG3 LYS A 57 33.313 10.320 49.273 1.00 26.88 H new ATOM 0 HD2 LYS A 57 34.885 9.526 50.801 1.00 37.57 H new ATOM 0 HD3 LYS A 57 36.048 9.758 49.789 1.00 37.57 H new ATOM 0 HE2 LYS A 57 35.834 12.060 49.927 1.00 42.84 H new ATOM 0 HE3 LYS A 57 34.448 11.951 50.635 1.00 42.84 H new ATOM 0 HZ1 LYS A 57 36.078 12.402 52.178 1.00 58.95 H new ATOM 0 HZ2 LYS A 57 35.519 11.096 52.483 1.00 58.95 H new ATOM 0 HZ3 LYS A 57 36.810 11.198 51.824 1.00 58.95 H new ATOM 439 N SER A 58 32.773 10.811 45.762 1.00 24.76 N ATOM 440 CA SER A 58 33.032 11.879 44.821 1.00 24.49 C ATOM 441 C SER A 58 33.690 13.024 45.591 1.00 25.99 C ATOM 442 O SER A 58 33.698 13.044 46.840 1.00 25.10 O ATOM 443 CB SER A 58 31.691 12.234 44.185 1.00 13.46 C ATOM 444 OG SER A 58 30.953 12.997 45.108 1.00 17.76 O ATOM 0 H SER A 58 31.986 10.842 46.106 1.00 24.76 H new ATOM 0 HA SER A 58 33.642 11.642 44.105 1.00 24.49 H new ATOM 0 HB2 SER A 58 31.828 12.735 43.365 1.00 13.46 H new ATOM 0 HB3 SER A 58 31.206 11.428 43.948 1.00 13.46 H new ATOM 0 HG SER A 58 31.084 13.814 44.965 1.00 17.76 H new ATOM 445 N LYS A 59 34.235 13.948 44.798 1.00 26.76 N ATOM 446 CA LYS A 59 34.880 15.126 45.375 1.00 27.30 C ATOM 447 C LYS A 59 33.808 16.196 45.574 1.00 26.96 C ATOM 448 O LYS A 59 32.910 16.271 44.727 1.00 27.08 O ATOM 449 CB LYS A 59 35.948 15.692 44.440 1.00 45.65 C ATOM 450 CG LYS A 59 36.569 14.698 43.466 1.00 66.30 C ATOM 451 CD LYS A 59 36.732 15.330 42.085 1.00 76.16 C ATOM 452 CE LYS A 59 37.554 14.506 41.108 1.00 79.94 C ATOM 453 NZ LYS A 59 37.605 15.090 39.731 1.00 83.03 N ATOM 0 H LYS A 59 34.242 13.913 43.939 1.00 26.76 H new ATOM 0 HA LYS A 59 35.303 14.873 46.210 1.00 27.30 H new ATOM 0 HB2 LYS A 59 35.556 16.418 43.930 1.00 45.65 H new ATOM 0 HB3 LYS A 59 36.656 16.076 44.980 1.00 45.65 H new ATOM 0 HG2 LYS A 59 37.433 14.408 43.799 1.00 66.30 H new ATOM 0 HG3 LYS A 59 36.010 13.908 43.402 1.00 66.30 H new ATOM 0 HD2 LYS A 59 35.852 15.479 41.704 1.00 76.16 H new ATOM 0 HD3 LYS A 59 37.148 16.200 42.187 1.00 76.16 H new ATOM 0 HE2 LYS A 59 38.458 14.420 41.449 1.00 79.94 H new ATOM 0 HE3 LYS A 59 37.183 13.611 41.059 1.00 79.94 H new ATOM 0 HZ1 LYS A 59 38.097 14.568 39.205 1.00 83.03 H new ATOM 0 HZ2 LYS A 59 36.780 15.148 39.402 1.00 83.03 H new ATOM 0 HZ3 LYS A 59 37.968 15.902 39.766 1.00 83.03 H new ATOM 454 N ILE A 60 33.933 16.989 46.610 1.00 27.43 N ATOM 455 CA ILE A 60 33.000 18.091 46.890 1.00 30.02 C ATOM 456 C ILE A 60 32.834 18.934 45.628 1.00 31.41 C ATOM 457 O ILE A 60 33.784 19.239 44.893 1.00 32.14 O ATOM 458 CB ILE A 60 33.509 18.905 48.098 1.00 33.90 C ATOM 459 CG1 ILE A 60 33.563 18.026 49.361 1.00 34.07 C ATOM 460 CG2 ILE A 60 32.712 20.170 48.359 1.00 21.92 C ATOM 461 CD1 ILE A 60 32.462 18.218 50.367 1.00 40.70 C ATOM 0 H ILE A 60 34.566 16.915 47.188 1.00 27.43 H new ATOM 0 HA ILE A 60 32.123 17.752 47.130 1.00 30.02 H new ATOM 0 HB ILE A 60 34.406 19.195 47.869 1.00 33.90 H new ATOM 0 HG12 ILE A 60 33.560 17.097 49.083 1.00 34.07 H new ATOM 0 HG13 ILE A 60 34.410 18.187 49.805 1.00 34.07 H new ATOM 0 HG21 ILE A 60 33.081 20.633 49.127 1.00 21.92 H new ATOM 0 HG22 ILE A 60 32.758 20.748 47.581 1.00 21.92 H new ATOM 0 HG23 ILE A 60 31.787 19.939 48.536 1.00 21.92 H new ATOM 0 HD11 ILE A 60 32.598 17.616 51.115 1.00 40.70 H new ATOM 0 HD12 ILE A 60 32.470 19.135 50.685 1.00 40.70 H new ATOM 0 HD13 ILE A 60 31.607 18.028 49.951 1.00 40.70 H new ATOM 462 N ASN A 61 31.610 19.277 45.293 1.00 30.67 N ATOM 463 CA ASN A 61 31.165 20.091 44.191 1.00 32.68 C ATOM 464 C ASN A 61 31.266 19.534 42.786 1.00 33.67 C ATOM 465 O ASN A 61 30.879 20.295 41.866 1.00 35.24 O ATOM 466 CB ASN A 61 31.896 21.474 44.182 1.00 28.30 C ATOM 467 CG ASN A 61 31.545 22.179 45.485 1.00 38.60 C ATOM 468 OD1 ASN A 61 30.398 22.095 45.940 1.00 32.16 O ATOM 469 ND2 ASN A 61 32.556 22.848 46.049 1.00 42.87 N ATOM 0 H ASN A 61 30.942 19.006 45.762 1.00 30.67 H new ATOM 0 HA ASN A 61 30.215 20.146 44.381 1.00 32.68 H new ATOM 0 HB2 ASN A 61 32.855 21.353 44.106 1.00 28.30 H new ATOM 0 HB3 ASN A 61 31.616 22.004 43.420 1.00 28.30 H new ATOM 0 HD21 ASN A 61 32.434 23.266 46.790 1.00 42.87 H new ATOM 0 HD22 ASN A 61 33.328 22.860 45.670 1.00 42.87 H new ATOM 470 N GLU A 62 31.734 18.298 42.660 1.00 33.65 N ATOM 471 CA GLU A 62 31.831 17.690 41.331 1.00 32.72 C ATOM 472 C GLU A 62 30.585 16.827 41.030 1.00 31.91 C ATOM 473 O GLU A 62 29.908 16.207 41.869 1.00 29.73 O ATOM 474 CB GLU A 62 33.076 16.805 41.123 1.00 41.33 C ATOM 475 CG GLU A 62 32.855 15.401 41.657 1.00 51.45 C ATOM 476 CD GLU A 62 33.496 14.154 41.128 1.00 54.69 C ATOM 477 OE1 GLU A 62 33.336 13.788 39.935 1.00 53.31 O ATOM 478 OE2 GLU A 62 34.170 13.418 41.913 1.00 38.70 O ATOM 0 H GLU A 62 31.996 17.802 43.312 1.00 33.65 H new ATOM 0 HA GLU A 62 31.899 18.444 40.724 1.00 32.72 H new ATOM 0 HB2 GLU A 62 33.291 16.763 40.178 1.00 41.33 H new ATOM 0 HB3 GLU A 62 33.838 17.206 41.569 1.00 41.33 H new ATOM 0 HG2 GLU A 62 33.087 15.438 42.598 1.00 51.45 H new ATOM 0 HG3 GLU A 62 31.899 15.247 41.606 1.00 51.45 H new ATOM 479 N ASN A 63 30.313 16.823 39.732 1.00 29.93 N ATOM 480 CA ASN A 63 29.249 16.086 39.088 1.00 27.26 C ATOM 481 C ASN A 63 29.775 14.645 39.104 1.00 26.67 C ATOM 482 O ASN A 63 30.792 14.383 38.464 1.00 27.80 O ATOM 483 CB ASN A 63 29.094 16.500 37.651 1.00 36.31 C ATOM 484 CG ASN A 63 27.720 17.001 37.283 1.00 47.69 C ATOM 485 OD1 ASN A 63 27.399 18.133 37.650 1.00 54.18 O ATOM 486 ND2 ASN A 63 26.989 16.163 36.566 1.00 55.23 N ATOM 0 H ASN A 63 30.778 17.282 39.172 1.00 29.93 H new ATOM 0 HA ASN A 63 28.394 16.221 39.526 1.00 27.26 H new ATOM 0 HB2 ASN A 63 29.741 17.196 37.456 1.00 36.31 H new ATOM 0 HB3 ASN A 63 29.311 15.743 37.084 1.00 36.31 H new ATOM 0 HD21 ASN A 63 26.201 16.392 36.308 1.00 55.23 H new ATOM 0 HD22 ASN A 63 27.302 15.389 36.358 1.00 55.23 H new ATOM 487 N TYR A 64 29.112 13.776 39.817 1.00 24.50 N ATOM 488 CA TYR A 64 29.535 12.382 39.930 1.00 21.92 C ATOM 489 C TYR A 64 28.557 11.442 39.237 1.00 20.89 C ATOM 490 O TYR A 64 27.340 11.495 39.497 1.00 20.34 O ATOM 491 CB TYR A 64 29.695 12.062 41.415 1.00 22.24 C ATOM 492 CG TYR A 64 30.276 10.682 41.561 1.00 25.60 C ATOM 493 CD1 TYR A 64 31.601 10.452 41.208 1.00 28.01 C ATOM 494 CD2 TYR A 64 29.518 9.623 42.025 1.00 27.13 C ATOM 495 CE1 TYR A 64 32.151 9.183 41.344 1.00 30.40 C ATOM 496 CE2 TYR A 64 30.072 8.356 42.148 1.00 28.48 C ATOM 497 CZ TYR A 64 31.383 8.135 41.815 1.00 29.70 C ATOM 498 OH TYR A 64 31.948 6.897 41.920 1.00 32.64 O ATOM 0 H TYR A 64 28.398 13.965 40.257 1.00 24.50 H new ATOM 0 HA TYR A 64 30.384 12.251 39.479 1.00 21.92 H new ATOM 0 HB2 TYR A 64 30.274 12.715 41.838 1.00 22.24 H new ATOM 0 HB3 TYR A 64 28.836 12.113 41.863 1.00 22.24 H new ATOM 0 HD1 TYR A 64 32.121 11.150 40.880 1.00 28.01 H new ATOM 0 HD2 TYR A 64 28.628 9.761 42.257 1.00 27.13 H new ATOM 0 HE1 TYR A 64 33.041 9.038 41.117 1.00 30.40 H new ATOM 0 HE2 TYR A 64 29.550 7.652 42.459 1.00 28.48 H new ATOM 0 HH TYR A 64 31.380 6.354 42.217 1.00 32.64 H new ATOM 499 N VAL A 65 29.093 10.595 38.355 1.00 19.14 N ATOM 500 CA VAL A 65 28.261 9.655 37.632 1.00 18.52 C ATOM 501 C VAL A 65 28.546 8.269 38.240 1.00 18.95 C ATOM 502 O VAL A 65 29.639 7.742 38.083 1.00 19.84 O ATOM 503 CB VAL A 65 28.325 9.520 36.109 1.00 21.09 C ATOM 504 CG1 VAL A 65 27.289 8.539 35.538 1.00 16.45 C ATOM 505 CG2 VAL A 65 28.125 10.878 35.437 1.00 18.83 C ATOM 0 H VAL A 65 29.931 10.555 38.167 1.00 19.14 H new ATOM 0 HA VAL A 65 27.374 10.031 37.744 1.00 18.52 H new ATOM 0 HB VAL A 65 29.208 9.167 35.917 1.00 21.09 H new ATOM 0 HG11 VAL A 65 27.380 8.498 34.573 1.00 16.45 H new ATOM 0 HG12 VAL A 65 27.436 7.657 35.914 1.00 16.45 H new ATOM 0 HG13 VAL A 65 26.396 8.842 35.766 1.00 16.45 H new ATOM 0 HG21 VAL A 65 28.169 10.772 34.474 1.00 18.83 H new ATOM 0 HG22 VAL A 65 27.258 11.237 35.683 1.00 18.83 H new ATOM 0 HG23 VAL A 65 28.821 11.488 35.727 1.00 18.83 H new ATOM 506 N LEU A 66 27.537 7.737 38.906 1.00 16.44 N ATOM 507 CA LEU A 66 27.672 6.415 39.490 1.00 17.23 C ATOM 508 C LEU A 66 27.088 5.368 38.538 1.00 17.63 C ATOM 509 O LEU A 66 25.940 5.540 38.120 1.00 17.98 O ATOM 510 CB LEU A 66 26.930 6.343 40.818 1.00 11.72 C ATOM 511 CG LEU A 66 26.796 5.035 41.596 1.00 19.30 C ATOM 512 CD1 LEU A 66 28.174 4.545 41.989 1.00 18.91 C ATOM 513 CD2 LEU A 66 25.923 5.260 42.827 1.00 22.64 C ATOM 0 H LEU A 66 26.776 8.117 39.031 1.00 16.44 H new ATOM 0 HA LEU A 66 28.614 6.239 39.639 1.00 17.23 H new ATOM 0 HB2 LEU A 66 27.356 6.980 41.412 1.00 11.72 H new ATOM 0 HB3 LEU A 66 26.030 6.665 40.654 1.00 11.72 H new ATOM 0 HG LEU A 66 26.373 4.360 41.043 1.00 19.30 H new ATOM 0 HD11 LEU A 66 28.093 3.714 42.483 1.00 18.91 H new ATOM 0 HD12 LEU A 66 28.704 4.396 41.191 1.00 18.91 H new ATOM 0 HD13 LEU A 66 28.608 5.211 42.545 1.00 18.91 H new ATOM 0 HD21 LEU A 66 25.838 4.429 43.320 1.00 22.64 H new ATOM 0 HD22 LEU A 66 26.331 5.932 43.395 1.00 22.64 H new ATOM 0 HD23 LEU A 66 25.044 5.562 42.550 1.00 22.64 H new ATOM 514 N THR A 67 27.840 4.324 38.235 1.00 16.67 N ATOM 515 CA THR A 67 27.318 3.205 37.440 1.00 16.50 C ATOM 516 C THR A 67 26.896 2.121 38.445 1.00 16.66 C ATOM 517 O THR A 67 27.748 1.728 39.264 1.00 16.49 O ATOM 518 CB THR A 67 28.265 2.628 36.395 1.00 19.65 C ATOM 519 OG1 THR A 67 28.501 3.688 35.470 1.00 24.03 O ATOM 520 CG2 THR A 67 27.627 1.470 35.642 1.00 20.45 C ATOM 0 H THR A 67 28.660 4.236 38.477 1.00 16.67 H new ATOM 0 HA THR A 67 26.582 3.542 36.906 1.00 16.50 H new ATOM 0 HB THR A 67 29.073 2.295 36.817 1.00 19.65 H new ATOM 0 HG1 THR A 67 29.023 3.423 34.867 1.00 24.03 H new ATOM 0 HG21 THR A 67 28.253 1.126 34.986 1.00 20.45 H new ATOM 0 HG22 THR A 67 27.395 0.766 36.267 1.00 20.45 H new ATOM 0 HG23 THR A 67 26.825 1.779 35.192 1.00 20.45 H new ATOM 521 N VAL A 68 25.645 1.692 38.437 1.00 14.83 N ATOM 522 CA VAL A 68 25.228 0.678 39.399 1.00 17.64 C ATOM 523 C VAL A 68 25.181 -0.687 38.698 1.00 18.50 C ATOM 524 O VAL A 68 24.571 -0.783 37.630 1.00 20.79 O ATOM 525 CB VAL A 68 23.874 0.895 40.106 1.00 22.53 C ATOM 526 CG1 VAL A 68 24.024 1.955 41.181 1.00 24.81 C ATOM 527 CG2 VAL A 68 22.795 1.257 39.116 1.00 25.68 C ATOM 0 H VAL A 68 25.032 1.965 37.898 1.00 14.83 H new ATOM 0 HA VAL A 68 25.893 0.735 40.102 1.00 17.64 H new ATOM 0 HB VAL A 68 23.602 0.065 40.528 1.00 22.53 H new ATOM 0 HG11 VAL A 68 23.172 2.090 41.624 1.00 24.81 H new ATOM 0 HG12 VAL A 68 24.684 1.666 41.831 1.00 24.81 H new ATOM 0 HG13 VAL A 68 24.313 2.788 40.776 1.00 24.81 H new ATOM 0 HG21 VAL A 68 21.956 1.388 39.585 1.00 25.68 H new ATOM 0 HG22 VAL A 68 23.039 2.076 38.656 1.00 25.68 H new ATOM 0 HG23 VAL A 68 22.695 0.541 38.469 1.00 25.68 H new ATOM 528 N THR A 69 25.872 -1.619 39.324 1.00 18.65 N ATOM 529 CA THR A 69 25.919 -2.985 38.771 1.00 19.95 C ATOM 530 C THR A 69 25.210 -4.016 39.632 1.00 19.37 C ATOM 531 O THR A 69 24.246 -4.670 39.215 1.00 22.35 O ATOM 532 CB THR A 69 27.375 -3.414 38.492 1.00 22.53 C ATOM 533 OG1 THR A 69 27.943 -2.411 37.622 1.00 25.53 O ATOM 534 CG2 THR A 69 27.329 -4.785 37.829 1.00 24.80 C ATOM 0 H THR A 69 26.314 -1.500 40.052 1.00 18.65 H new ATOM 0 HA THR A 69 25.430 -2.952 37.934 1.00 19.95 H new ATOM 0 HB THR A 69 27.918 -3.482 39.293 1.00 22.53 H new ATOM 0 HG1 THR A 69 28.740 -2.610 37.448 1.00 25.53 H new ATOM 0 HG21 THR A 69 28.232 -5.084 37.640 1.00 24.80 H new ATOM 0 HG22 THR A 69 26.897 -5.418 38.424 1.00 24.80 H new ATOM 0 HG23 THR A 69 26.828 -4.727 37.000 1.00 24.80 H new ATOM 535 N GLN A 70 25.685 -4.112 40.859 1.00 19.35 N ATOM 536 CA GLN A 70 25.144 -5.069 41.840 1.00 19.51 C ATOM 537 C GLN A 70 23.771 -4.747 42.380 1.00 19.81 C ATOM 538 O GLN A 70 23.565 -3.632 42.889 1.00 19.82 O ATOM 539 CB GLN A 70 26.159 -5.072 43.017 1.00 19.48 C ATOM 540 CG GLN A 70 27.527 -5.526 42.553 1.00 26.30 C ATOM 541 CD GLN A 70 27.459 -6.956 42.011 1.00 34.92 C ATOM 542 OE1 GLN A 70 26.770 -7.884 42.481 1.00 33.43 O ATOM 543 NE2 GLN A 70 28.237 -7.103 40.935 1.00 35.90 N ATOM 0 H GLN A 70 26.331 -3.629 41.159 1.00 19.35 H new ATOM 0 HA GLN A 70 25.034 -5.923 41.394 1.00 19.51 H new ATOM 0 HB2 GLN A 70 26.222 -4.182 43.397 1.00 19.48 H new ATOM 0 HB3 GLN A 70 25.841 -5.659 43.721 1.00 19.48 H new ATOM 0 HG2 GLN A 70 27.856 -4.928 41.864 1.00 26.30 H new ATOM 0 HG3 GLN A 70 28.156 -5.483 43.290 1.00 26.30 H new ATOM 0 HE21 GLN A 70 28.697 -6.438 40.643 1.00 35.90 H new ATOM 0 HE22 GLN A 70 28.278 -7.863 40.535 1.00 35.90 H new ATOM 544 N PRO A 71 22.838 -5.687 42.290 1.00 18.96 N ATOM 545 CA PRO A 71 21.504 -5.470 42.841 1.00 18.62 C ATOM 546 C PRO A 71 21.631 -5.356 44.375 1.00 17.85 C ATOM 547 O PRO A 71 22.593 -5.833 44.996 1.00 17.61 O ATOM 548 CB PRO A 71 20.707 -6.684 42.386 1.00 18.77 C ATOM 549 CG PRO A 71 21.560 -7.348 41.355 1.00 19.27 C ATOM 550 CD PRO A 71 23.006 -7.037 41.727 1.00 19.07 C ATOM 0 HA PRO A 71 21.064 -4.658 42.546 1.00 18.62 H new ATOM 0 HB2 PRO A 71 20.525 -7.282 43.128 1.00 18.77 H new ATOM 0 HB3 PRO A 71 19.850 -6.422 42.016 1.00 18.77 H new ATOM 0 HG2 PRO A 71 21.405 -8.305 41.342 1.00 19.27 H new ATOM 0 HG3 PRO A 71 21.352 -7.015 40.468 1.00 19.27 H new ATOM 0 HD2 PRO A 71 23.367 -7.666 42.371 1.00 19.07 H new ATOM 0 HD3 PRO A 71 23.598 -7.048 40.958 1.00 19.07 H new ATOM 551 N GLY A 72 20.624 -4.758 44.976 1.00 16.57 N ATOM 552 CA GLY A 72 20.558 -4.560 46.422 1.00 14.52 C ATOM 553 C GLY A 72 20.350 -3.050 46.620 1.00 14.73 C ATOM 554 O GLY A 72 20.186 -2.255 45.693 1.00 13.53 O ATOM 0 H GLY A 72 19.942 -4.447 44.554 1.00 16.57 H new ATOM 0 HA2 GLY A 72 19.828 -5.067 46.811 1.00 14.52 H new ATOM 0 HA3 GLY A 72 21.373 -4.860 46.853 1.00 14.52 H new ATOM 555 N ALA A 73 20.401 -2.715 47.895 1.00 13.99 N ATOM 556 CA ALA A 73 20.204 -1.345 48.372 1.00 12.77 C ATOM 557 C ALA A 73 21.557 -0.751 48.672 1.00 12.35 C ATOM 558 O ALA A 73 22.494 -1.417 49.133 1.00 11.63 O ATOM 559 CB ALA A 73 19.276 -1.469 49.597 1.00 10.78 C ATOM 0 H ALA A 73 20.553 -3.281 48.524 1.00 13.99 H new ATOM 0 HA ALA A 73 19.791 -0.747 47.730 1.00 12.77 H new ATOM 0 HB1 ALA A 73 19.105 -0.588 49.964 1.00 10.78 H new ATOM 0 HB2 ALA A 73 18.437 -1.876 49.328 1.00 10.78 H new ATOM 0 HB3 ALA A 73 19.701 -2.022 50.271 1.00 10.78 H new ATOM 560 N TYR A 74 21.616 0.550 48.396 1.00 13.49 N ATOM 561 CA TYR A 74 22.808 1.343 48.629 1.00 13.58 C ATOM 562 C TYR A 74 22.381 2.581 49.429 1.00 14.00 C ATOM 563 O TYR A 74 21.491 3.253 48.896 1.00 13.90 O ATOM 564 CB TYR A 74 23.410 1.887 47.337 1.00 13.30 C ATOM 565 CG TYR A 74 23.865 0.862 46.329 1.00 14.19 C ATOM 566 CD1 TYR A 74 23.006 -0.089 45.775 1.00 12.58 C ATOM 567 CD2 TYR A 74 25.207 0.926 45.922 1.00 14.65 C ATOM 568 CE1 TYR A 74 23.479 -0.982 44.829 1.00 14.66 C ATOM 569 CE2 TYR A 74 25.694 0.052 44.970 1.00 16.15 C ATOM 570 CZ TYR A 74 24.806 -0.907 44.460 1.00 17.45 C ATOM 571 OH TYR A 74 25.279 -1.810 43.539 1.00 19.98 O ATOM 0 H TYR A 74 20.958 0.996 48.066 1.00 13.49 H new ATOM 0 HA TYR A 74 23.456 0.776 49.076 1.00 13.58 H new ATOM 0 HB2 TYR A 74 22.753 2.461 46.913 1.00 13.30 H new ATOM 0 HB3 TYR A 74 24.169 2.446 47.566 1.00 13.30 H new ATOM 0 HD1 TYR A 74 22.116 -0.123 46.042 1.00 12.58 H new ATOM 0 HD2 TYR A 74 25.773 1.562 46.296 1.00 14.65 H new ATOM 0 HE1 TYR A 74 22.915 -1.618 44.451 1.00 14.66 H new ATOM 0 HE2 TYR A 74 26.576 0.097 44.678 1.00 16.15 H new ATOM 0 HH TYR A 74 24.633 -2.205 43.176 1.00 19.98 H new ATOM 572 N LEU A 75 23.015 2.804 50.557 1.00 13.92 N ATOM 573 CA LEU A 75 22.676 4.022 51.313 1.00 13.09 C ATOM 574 C LEU A 75 23.900 4.899 51.044 1.00 14.25 C ATOM 575 O LEU A 75 25.006 4.441 51.364 1.00 15.16 O ATOM 576 CB LEU A 75 22.467 3.848 52.802 1.00 12.13 C ATOM 577 CG LEU A 75 21.727 5.002 53.496 1.00 16.85 C ATOM 578 CD1 LEU A 75 20.343 5.148 52.875 1.00 18.85 C ATOM 579 CD2 LEU A 75 21.618 4.721 54.980 1.00 16.27 C ATOM 0 H LEU A 75 23.619 2.299 50.903 1.00 13.92 H new ATOM 0 HA LEU A 75 21.818 4.376 51.030 1.00 13.09 H new ATOM 0 HB2 LEU A 75 21.971 3.028 52.951 1.00 12.13 H new ATOM 0 HB3 LEU A 75 23.333 3.737 53.225 1.00 12.13 H new ATOM 0 HG LEU A 75 22.218 5.830 53.377 1.00 16.85 H new ATOM 0 HD11 LEU A 75 19.869 5.875 53.308 1.00 18.85 H new ATOM 0 HD12 LEU A 75 20.431 5.339 51.928 1.00 18.85 H new ATOM 0 HD13 LEU A 75 19.846 4.323 52.993 1.00 18.85 H new ATOM 0 HD21 LEU A 75 21.150 5.451 55.414 1.00 16.27 H new ATOM 0 HD22 LEU A 75 21.127 3.896 55.118 1.00 16.27 H new ATOM 0 HD23 LEU A 75 22.507 4.635 55.359 1.00 16.27 H new ATOM 580 N VAL A 76 23.663 6.076 50.476 1.00 14.00 N ATOM 581 CA VAL A 76 24.736 7.016 50.194 1.00 13.29 C ATOM 582 C VAL A 76 24.490 8.249 51.071 1.00 15.23 C ATOM 583 O VAL A 76 23.379 8.560 51.517 1.00 13.90 O ATOM 584 CB VAL A 76 24.902 7.421 48.722 1.00 15.04 C ATOM 585 CG1 VAL A 76 25.023 6.160 47.864 1.00 16.20 C ATOM 586 CG2 VAL A 76 23.774 8.296 48.216 1.00 19.88 C ATOM 0 H VAL A 76 22.881 6.349 50.245 1.00 14.00 H new ATOM 0 HA VAL A 76 25.573 6.570 50.398 1.00 13.29 H new ATOM 0 HB VAL A 76 25.710 7.954 48.656 1.00 15.04 H new ATOM 0 HG11 VAL A 76 25.128 6.411 46.933 1.00 16.20 H new ATOM 0 HG12 VAL A 76 25.795 5.647 48.149 1.00 16.20 H new ATOM 0 HG13 VAL A 76 24.222 5.622 47.965 1.00 16.20 H new ATOM 0 HG21 VAL A 76 23.931 8.520 47.285 1.00 19.88 H new ATOM 0 HG22 VAL A 76 22.933 7.819 48.296 1.00 19.88 H new ATOM 0 HG23 VAL A 76 23.735 9.110 48.742 1.00 19.88 H new ATOM 587 N LYS A 77 25.600 8.938 51.342 1.00 14.56 N ATOM 588 CA LYS A 77 25.512 10.133 52.151 1.00 14.02 C ATOM 589 C LYS A 77 26.338 11.201 51.431 1.00 15.34 C ATOM 590 O LYS A 77 27.096 10.955 50.498 1.00 14.94 O ATOM 591 CB LYS A 77 26.117 9.858 53.520 1.00 14.16 C ATOM 592 CG LYS A 77 27.620 9.576 53.392 1.00 16.09 C ATOM 593 CD LYS A 77 28.233 9.620 54.811 1.00 19.45 C ATOM 594 CE LYS A 77 29.640 9.034 54.777 1.00 24.03 C ATOM 595 NZ LYS A 77 30.216 8.786 56.124 1.00 19.01 N ATOM 0 H LYS A 77 26.390 8.731 51.071 1.00 14.56 H new ATOM 0 HA LYS A 77 24.593 10.418 52.271 1.00 14.02 H new ATOM 0 HB2 LYS A 77 25.973 10.620 54.103 1.00 14.16 H new ATOM 0 HB3 LYS A 77 25.673 9.099 53.930 1.00 14.16 H new ATOM 0 HG2 LYS A 77 27.769 8.709 52.984 1.00 16.09 H new ATOM 0 HG3 LYS A 77 28.042 10.235 52.819 1.00 16.09 H new ATOM 0 HD2 LYS A 77 28.261 10.534 55.133 1.00 19.45 H new ATOM 0 HD3 LYS A 77 27.678 9.118 55.429 1.00 19.45 H new ATOM 0 HE2 LYS A 77 29.622 8.200 54.283 1.00 24.03 H new ATOM 0 HE3 LYS A 77 30.222 9.639 54.291 1.00 24.03 H new ATOM 0 HZ1 LYS A 77 31.003 8.379 56.040 1.00 19.01 H new ATOM 0 HZ2 LYS A 77 30.327 9.561 56.547 1.00 19.01 H new ATOM 0 HZ3 LYS A 77 29.664 8.269 56.593 1.00 19.01 H new ATOM 596 N CYS A 78 26.054 12.384 51.914 1.00 15.32 N ATOM 597 CA CYS A 78 26.823 13.562 51.497 1.00 15.42 C ATOM 598 C CYS A 78 27.827 13.585 52.667 1.00 15.58 C ATOM 599 O CYS A 78 27.317 13.642 53.790 1.00 14.64 O ATOM 600 CB CYS A 78 25.977 14.806 51.400 1.00 16.27 C ATOM 601 SG CYS A 78 27.137 16.249 51.319 1.00 18.01 S ATOM 0 H CYS A 78 25.427 12.542 52.481 1.00 15.32 H new ATOM 0 HA CYS A 78 27.216 13.528 50.611 1.00 15.42 H new ATOM 0 HB2 CYS A 78 25.412 14.776 50.612 1.00 16.27 H new ATOM 0 HB3 CYS A 78 25.389 14.881 52.168 1.00 16.27 H new ATOM 0 HG CYS A 78 26.550 17.212 50.909 1.00 18.01 H new ATOM 602 N THR A 79 29.110 13.481 52.457 1.00 17.48 N ATOM 603 CA THR A 79 30.103 13.424 53.543 1.00 18.87 C ATOM 604 C THR A 79 29.957 14.493 54.617 1.00 18.53 C ATOM 605 O THR A 79 29.666 14.148 55.795 1.00 18.87 O ATOM 606 CB THR A 79 31.540 13.285 52.972 1.00 22.84 C ATOM 607 OG1 THR A 79 31.558 12.292 51.924 1.00 21.90 O ATOM 608 CG2 THR A 79 32.494 12.793 54.053 1.00 20.24 C ATOM 0 H THR A 79 29.456 13.439 51.671 1.00 17.48 H new ATOM 0 HA THR A 79 29.910 12.614 54.040 1.00 18.87 H new ATOM 0 HB THR A 79 31.811 14.155 52.640 1.00 22.84 H new ATOM 0 HG1 THR A 79 31.794 11.552 52.243 1.00 21.90 H new ATOM 0 HG21 THR A 79 33.387 12.711 53.684 1.00 20.24 H new ATOM 0 HG22 THR A 79 32.506 13.427 54.787 1.00 20.24 H new ATOM 0 HG23 THR A 79 32.198 11.928 54.377 1.00 20.24 H new ATOM 609 N PRO A 80 30.114 15.763 54.275 1.00 19.11 N ATOM 610 CA PRO A 80 29.975 16.826 55.255 1.00 18.85 C ATOM 611 C PRO A 80 28.654 16.875 55.984 1.00 19.58 C ATOM 612 O PRO A 80 28.593 17.135 57.183 1.00 20.47 O ATOM 613 CB PRO A 80 30.116 18.143 54.473 1.00 18.83 C ATOM 614 CG PRO A 80 30.026 17.729 53.029 1.00 20.04 C ATOM 615 CD PRO A 80 30.474 16.271 52.949 1.00 18.51 C ATOM 0 HA PRO A 80 30.646 16.673 55.938 1.00 18.85 H new ATOM 0 HB2 PRO A 80 29.414 18.770 54.706 1.00 18.83 H new ATOM 0 HB3 PRO A 80 30.961 18.580 54.664 1.00 18.83 H new ATOM 0 HG2 PRO A 80 29.119 17.827 52.701 1.00 20.04 H new ATOM 0 HG3 PRO A 80 30.590 18.291 52.476 1.00 20.04 H new ATOM 0 HD2 PRO A 80 30.018 15.790 52.241 1.00 18.51 H new ATOM 0 HD3 PRO A 80 31.426 16.193 52.777 1.00 18.51 H new ATOM 616 N HIS A 81 27.570 16.599 55.228 1.00 19.28 N ATOM 617 CA HIS A 81 26.220 16.691 55.785 1.00 17.66 C ATOM 618 C HIS A 81 25.480 15.415 56.177 1.00 17.41 C ATOM 619 O HIS A 81 24.289 15.591 56.451 1.00 15.70 O ATOM 620 CB HIS A 81 25.354 17.533 54.801 1.00 13.24 C ATOM 621 CG HIS A 81 26.045 18.833 54.505 1.00 21.67 C ATOM 622 ND1 HIS A 81 26.455 19.243 53.241 1.00 22.50 N ATOM 623 CD2 HIS A 81 26.389 19.808 55.387 1.00 16.35 C ATOM 624 CE1 HIS A 81 27.035 20.420 53.348 1.00 22.56 C ATOM 625 NE2 HIS A 81 26.998 20.763 54.629 1.00 19.44 N ATOM 0 H HIS A 81 27.603 16.361 54.402 1.00 19.28 H new ATOM 0 HA HIS A 81 26.356 17.103 56.653 1.00 17.66 H new ATOM 0 HB2 HIS A 81 25.210 17.039 53.979 1.00 13.24 H new ATOM 0 HB3 HIS A 81 24.481 17.701 55.188 1.00 13.24 H new ATOM 0 HD1 HIS A 81 26.348 18.801 52.511 1.00 22.50 H new ATOM 0 HD2 HIS A 81 26.241 19.821 56.305 1.00 16.35 H new ATOM 0 HE1 HIS A 81 27.403 20.919 52.654 1.00 22.56 H new ATOM 626 N TYR A 82 26.100 14.273 56.292 1.00 17.85 N ATOM 627 CA TYR A 82 25.442 13.050 56.711 1.00 19.71 C ATOM 628 C TYR A 82 24.660 13.175 58.004 1.00 21.00 C ATOM 629 O TYR A 82 23.516 12.770 58.170 1.00 21.29 O ATOM 630 CB TYR A 82 26.566 12.043 56.910 1.00 20.59 C ATOM 631 CG TYR A 82 26.085 10.689 57.366 1.00 22.09 C ATOM 632 CD1 TYR A 82 25.023 10.081 56.696 1.00 21.24 C ATOM 633 CD2 TYR A 82 26.703 10.022 58.405 1.00 22.48 C ATOM 634 CE1 TYR A 82 24.595 8.810 57.046 1.00 19.73 C ATOM 635 CE2 TYR A 82 26.263 8.747 58.774 1.00 23.51 C ATOM 636 CZ TYR A 82 25.229 8.164 58.088 1.00 21.79 C ATOM 637 OH TYR A 82 24.801 6.921 58.418 1.00 21.09 O ATOM 0 H TYR A 82 26.938 14.174 56.126 1.00 17.85 H new ATOM 0 HA TYR A 82 24.789 12.795 56.040 1.00 19.71 H new ATOM 0 HB2 TYR A 82 27.052 11.942 56.076 1.00 20.59 H new ATOM 0 HB3 TYR A 82 27.192 12.393 57.563 1.00 20.59 H new ATOM 0 HD1 TYR A 82 24.596 10.535 56.005 1.00 21.24 H new ATOM 0 HD2 TYR A 82 27.411 10.420 58.859 1.00 22.48 H new ATOM 0 HE1 TYR A 82 23.896 8.401 56.589 1.00 19.73 H new ATOM 0 HE2 TYR A 82 26.669 8.298 59.480 1.00 23.51 H new ATOM 0 HH TYR A 82 24.500 6.537 57.734 1.00 21.09 H new ATOM 638 N ALA A 83 25.303 13.822 58.971 1.00 24.52 N ATOM 639 CA ALA A 83 24.755 14.052 60.328 1.00 25.45 C ATOM 640 C ALA A 83 23.518 14.939 60.298 1.00 25.17 C ATOM 641 O ALA A 83 22.680 14.853 61.215 1.00 27.88 O ATOM 642 CB ALA A 83 25.853 14.676 61.200 1.00 37.84 C ATOM 0 H ALA A 83 26.090 14.152 58.864 1.00 24.52 H new ATOM 0 HA ALA A 83 24.477 13.202 60.703 1.00 25.45 H new ATOM 0 HB1 ALA A 83 25.508 14.832 62.093 1.00 37.84 H new ATOM 0 HB2 ALA A 83 26.611 14.072 61.248 1.00 37.84 H new ATOM 0 HB3 ALA A 83 26.136 15.518 60.811 1.00 37.84 H new ATOM 643 N MET A 84 23.397 15.748 59.248 1.00 22.66 N ATOM 644 CA MET A 84 22.227 16.621 59.104 1.00 21.09 C ATOM 645 C MET A 84 21.144 15.931 58.301 1.00 19.92 C ATOM 646 O MET A 84 20.096 16.489 58.039 1.00 20.67 O ATOM 647 CB MET A 84 22.629 17.977 58.566 1.00 26.03 C ATOM 648 CG MET A 84 23.656 18.654 59.504 1.00 34.38 C ATOM 649 SD MET A 84 24.435 20.034 58.582 1.00 54.84 S ATOM 650 CE MET A 84 22.898 20.900 58.170 1.00 51.42 C ATOM 0 H MET A 84 23.973 15.809 58.612 1.00 22.66 H new ATOM 0 HA MET A 84 21.841 16.792 59.977 1.00 21.09 H new ATOM 0 HB2 MET A 84 23.010 17.879 57.679 1.00 26.03 H new ATOM 0 HB3 MET A 84 21.844 18.540 58.477 1.00 26.03 H new ATOM 0 HG2 MET A 84 23.219 18.984 60.304 1.00 34.38 H new ATOM 0 HG3 MET A 84 24.327 18.015 59.790 1.00 34.38 H new ATOM 0 HE1 MET A 84 23.087 21.614 57.541 1.00 51.42 H new ATOM 0 HE2 MET A 84 22.272 20.276 57.771 1.00 51.42 H new ATOM 0 HE3 MET A 84 22.511 21.274 58.977 1.00 51.42 H new ATOM 651 N GLY A 85 21.430 14.671 57.994 1.00 18.56 N ATOM 652 CA GLY A 85 20.512 13.776 57.312 1.00 18.16 C ATOM 653 C GLY A 85 20.567 13.695 55.808 1.00 17.92 C ATOM 654 O GLY A 85 19.575 13.228 55.212 1.00 18.13 O ATOM 0 H GLY A 85 22.185 14.305 58.183 1.00 18.56 H new ATOM 0 HA2 GLY A 85 20.658 12.883 57.661 1.00 18.16 H new ATOM 0 HA3 GLY A 85 19.610 14.034 57.560 1.00 18.16 H new ATOM 655 N MET A 86 21.683 14.109 55.242 1.00 15.00 N ATOM 656 CA MET A 86 21.778 14.059 53.783 1.00 14.25 C ATOM 657 C MET A 86 22.181 12.687 53.255 1.00 12.94 C ATOM 658 O MET A 86 23.361 12.377 53.174 1.00 13.20 O ATOM 659 CB MET A 86 22.757 15.168 53.315 1.00 13.78 C ATOM 660 CG MET A 86 22.463 15.543 51.869 1.00 13.42 C ATOM 661 SD MET A 86 23.397 16.993 51.395 1.00 16.66 S ATOM 662 CE MET A 86 23.170 16.961 49.622 1.00 14.54 C ATOM 0 H MET A 86 22.374 14.411 55.655 1.00 15.00 H new ATOM 0 HA MET A 86 20.896 14.219 53.412 1.00 14.25 H new ATOM 0 HB2 MET A 86 22.670 15.949 53.884 1.00 13.78 H new ATOM 0 HB3 MET A 86 23.672 14.858 53.397 1.00 13.78 H new ATOM 0 HG2 MET A 86 22.688 14.802 51.285 1.00 13.42 H new ATOM 0 HG3 MET A 86 21.514 15.713 51.760 1.00 13.42 H new ATOM 0 HE1 MET A 86 24.013 16.748 49.191 1.00 14.54 H new ATOM 0 HE2 MET A 86 22.510 16.288 49.392 1.00 14.54 H new ATOM 0 HE3 MET A 86 22.864 17.830 49.319 1.00 14.54 H new ATOM 663 N ILE A 87 21.147 11.944 52.882 1.00 13.41 N ATOM 664 CA ILE A 87 21.366 10.589 52.338 1.00 11.79 C ATOM 665 C ILE A 87 20.368 10.349 51.221 1.00 11.79 C ATOM 666 O ILE A 87 19.362 11.046 51.049 1.00 12.55 O ATOM 667 CB ILE A 87 21.192 9.492 53.417 1.00 14.96 C ATOM 668 CG1 ILE A 87 19.856 9.639 54.148 1.00 19.74 C ATOM 669 CG2 ILE A 87 22.277 9.457 54.477 1.00 16.79 C ATOM 670 CD1 ILE A 87 18.602 9.062 53.598 1.00 24.83 C ATOM 0 H ILE A 87 20.324 12.190 52.930 1.00 13.41 H new ATOM 0 HA ILE A 87 22.278 10.538 52.011 1.00 11.79 H new ATOM 0 HB ILE A 87 21.240 8.666 52.910 1.00 14.96 H new ATOM 0 HG12 ILE A 87 19.976 9.261 55.033 1.00 19.74 H new ATOM 0 HG13 ILE A 87 19.702 10.590 54.264 1.00 19.74 H new ATOM 0 HG21 ILE A 87 22.090 8.745 55.108 1.00 16.79 H new ATOM 0 HG22 ILE A 87 23.136 9.298 54.056 1.00 16.79 H new ATOM 0 HG23 ILE A 87 22.299 10.306 54.946 1.00 16.79 H new ATOM 0 HD11 ILE A 87 17.865 9.257 54.198 1.00 24.83 H new ATOM 0 HD12 ILE A 87 18.421 9.451 52.728 1.00 24.83 H new ATOM 0 HD13 ILE A 87 18.700 8.101 53.508 1.00 24.83 H new ATOM 671 N ALA A 88 20.643 9.305 50.455 1.00 11.24 N ATOM 672 CA ALA A 88 19.799 8.827 49.373 1.00 12.67 C ATOM 673 C ALA A 88 19.876 7.294 49.421 1.00 12.93 C ATOM 674 O ALA A 88 20.894 6.716 49.811 1.00 13.67 O ATOM 675 CB ALA A 88 20.189 9.363 48.009 1.00 8.82 C ATOM 0 H ALA A 88 21.357 8.836 50.556 1.00 11.24 H new ATOM 0 HA ALA A 88 18.893 9.149 49.499 1.00 12.67 H new ATOM 0 HB1 ALA A 88 19.588 9.006 47.337 1.00 8.82 H new ATOM 0 HB2 ALA A 88 20.131 10.331 48.013 1.00 8.82 H new ATOM 0 HB3 ALA A 88 21.098 9.095 47.804 1.00 8.82 H new ATOM 676 N LEU A 89 18.769 6.690 49.043 1.00 13.25 N ATOM 677 CA LEU A 89 18.737 5.227 49.027 1.00 11.59 C ATOM 678 C LEU A 89 18.550 4.863 47.553 1.00 12.49 C ATOM 679 O LEU A 89 17.630 5.358 46.911 1.00 12.57 O ATOM 680 CB LEU A 89 17.613 4.689 49.900 1.00 14.39 C ATOM 681 CG LEU A 89 17.411 3.167 49.816 1.00 13.83 C ATOM 682 CD1 LEU A 89 18.461 2.434 50.620 1.00 13.77 C ATOM 683 CD2 LEU A 89 16.000 2.857 50.307 1.00 23.92 C ATOM 0 H LEU A 89 18.044 7.083 48.798 1.00 13.25 H new ATOM 0 HA LEU A 89 19.545 4.834 49.392 1.00 11.59 H new ATOM 0 HB2 LEU A 89 17.792 4.929 50.822 1.00 14.39 H new ATOM 0 HB3 LEU A 89 16.785 5.128 49.648 1.00 14.39 H new ATOM 0 HG LEU A 89 17.511 2.863 48.900 1.00 13.83 H new ATOM 0 HD11 LEU A 89 18.312 1.478 50.551 1.00 13.77 H new ATOM 0 HD12 LEU A 89 19.342 2.650 50.275 1.00 13.77 H new ATOM 0 HD13 LEU A 89 18.403 2.704 51.550 1.00 13.77 H new ATOM 0 HD21 LEU A 89 15.845 1.900 50.264 1.00 23.92 H new ATOM 0 HD22 LEU A 89 15.902 3.160 51.223 1.00 23.92 H new ATOM 0 HD23 LEU A 89 15.354 3.314 49.746 1.00 23.92 H new ATOM 684 N ILE A 90 19.448 4.047 47.063 1.00 12.37 N ATOM 685 CA ILE A 90 19.442 3.542 45.696 1.00 13.06 C ATOM 686 C ILE A 90 19.018 2.058 45.802 1.00 13.75 C ATOM 687 O ILE A 90 19.649 1.316 46.557 1.00 14.43 O ATOM 688 CB ILE A 90 20.785 3.704 44.987 1.00 15.22 C ATOM 689 CG1 ILE A 90 21.347 5.131 44.982 1.00 15.11 C ATOM 690 CG2 ILE A 90 20.638 3.204 43.543 1.00 16.11 C ATOM 691 CD1 ILE A 90 22.756 5.113 44.390 1.00 17.26 C ATOM 0 H ILE A 90 20.109 3.754 47.528 1.00 12.37 H new ATOM 0 HA ILE A 90 18.826 4.054 45.148 1.00 13.06 H new ATOM 0 HB ILE A 90 21.426 3.179 45.492 1.00 15.22 H new ATOM 0 HG12 ILE A 90 20.773 5.715 44.462 1.00 15.11 H new ATOM 0 HG13 ILE A 90 21.368 5.485 45.885 1.00 15.11 H new ATOM 0 HG21 ILE A 90 21.484 3.301 43.079 1.00 16.11 H new ATOM 0 HG22 ILE A 90 20.378 2.270 43.549 1.00 16.11 H new ATOM 0 HG23 ILE A 90 19.959 3.725 43.087 1.00 16.11 H new ATOM 0 HD11 ILE A 90 23.116 6.014 44.384 1.00 17.26 H new ATOM 0 HD12 ILE A 90 23.326 4.541 44.927 1.00 17.26 H new ATOM 0 HD13 ILE A 90 22.721 4.773 43.482 1.00 17.26 H new ATOM 692 N ALA A 91 17.938 1.720 45.135 1.00 12.85 N ATOM 693 CA ALA A 91 17.439 0.333 45.172 1.00 15.44 C ATOM 694 C ALA A 91 17.678 -0.221 43.771 1.00 16.47 C ATOM 695 O ALA A 91 17.074 0.309 42.839 1.00 16.46 O ATOM 696 CB ALA A 91 15.985 0.226 45.580 1.00 15.10 C ATOM 0 H ALA A 91 17.472 2.261 44.655 1.00 12.85 H new ATOM 0 HA ALA A 91 17.908 -0.177 45.851 1.00 15.44 H new ATOM 0 HB1 ALA A 91 15.718 -0.707 45.585 1.00 15.10 H new ATOM 0 HB2 ALA A 91 15.869 0.600 46.467 1.00 15.10 H new ATOM 0 HB3 ALA A 91 15.435 0.716 44.949 1.00 15.10 H new ATOM 697 N VAL A 92 18.557 -1.197 43.677 1.00 18.15 N ATOM 698 CA VAL A 92 18.898 -1.797 42.368 1.00 19.20 C ATOM 699 C VAL A 92 18.267 -3.179 42.347 1.00 19.77 C ATOM 700 O VAL A 92 18.593 -4.046 43.155 1.00 18.43 O ATOM 701 CB VAL A 92 20.416 -1.842 42.129 1.00 18.01 C ATOM 702 CG1 VAL A 92 20.795 -2.515 40.806 1.00 18.45 C ATOM 703 CG2 VAL A 92 21.021 -0.438 42.215 1.00 13.69 C ATOM 0 H VAL A 92 18.975 -1.537 44.347 1.00 18.15 H new ATOM 0 HA VAL A 92 18.551 -1.255 41.642 1.00 19.20 H new ATOM 0 HB VAL A 92 20.790 -2.391 42.836 1.00 18.01 H new ATOM 0 HG11 VAL A 92 21.760 -2.515 40.708 1.00 18.45 H new ATOM 0 HG12 VAL A 92 20.470 -3.429 40.803 1.00 18.45 H new ATOM 0 HG13 VAL A 92 20.396 -2.027 40.069 1.00 18.45 H new ATOM 0 HG21 VAL A 92 21.978 -0.488 42.062 1.00 13.69 H new ATOM 0 HG22 VAL A 92 20.615 0.131 41.542 1.00 13.69 H new ATOM 0 HG23 VAL A 92 20.854 -0.067 43.095 1.00 13.69 H new ATOM 704 N GLY A 93 17.339 -3.307 41.412 1.00 22.58 N ATOM 705 CA GLY A 93 16.622 -4.573 41.217 1.00 23.90 C ATOM 706 C GLY A 93 15.514 -4.616 42.254 1.00 24.54 C ATOM 707 O GLY A 93 15.292 -3.715 43.046 1.00 25.30 O ATOM 0 H GLY A 93 17.104 -2.677 40.876 1.00 22.58 H new ATOM 0 HA2 GLY A 93 16.256 -4.626 40.320 1.00 23.90 H new ATOM 0 HA3 GLY A 93 17.222 -5.328 41.323 1.00 23.90 H new ATOM 708 N ASP A 94 14.874 -5.761 42.178 1.00 25.66 N ATOM 709 CA ASP A 94 13.751 -6.125 43.049 1.00 27.45 C ATOM 710 C ASP A 94 14.164 -6.701 44.396 1.00 26.82 C ATOM 711 O ASP A 94 15.196 -7.382 44.498 1.00 27.99 O ATOM 712 CB ASP A 94 12.875 -7.175 42.305 1.00 48.31 C ATOM 713 CG ASP A 94 12.381 -6.560 40.998 1.00 68.63 C ATOM 714 OD1 ASP A 94 11.669 -5.524 41.078 1.00 76.98 O ATOM 715 OD2 ASP A 94 12.728 -7.075 39.909 1.00 77.33 O ATOM 0 H ASP A 94 15.076 -6.372 41.608 1.00 25.66 H new ATOM 0 HA ASP A 94 13.268 -5.305 43.239 1.00 27.45 H new ATOM 0 HB2 ASP A 94 13.390 -7.977 42.126 1.00 48.31 H new ATOM 0 HB3 ASP A 94 12.123 -7.439 42.858 1.00 48.31 H new ATOM 716 N SER A 95 13.333 -6.453 45.392 1.00 26.66 N ATOM 717 CA SER A 95 13.550 -6.958 46.758 1.00 26.38 C ATOM 718 C SER A 95 15.000 -6.977 47.228 1.00 23.43 C ATOM 719 O SER A 95 15.552 -8.061 47.488 1.00 23.25 O ATOM 720 CB SER A 95 12.986 -8.397 46.807 1.00 35.53 C ATOM 721 OG SER A 95 11.572 -8.421 46.810 1.00 50.88 O ATOM 0 H SER A 95 12.618 -5.984 45.305 1.00 26.66 H new ATOM 0 HA SER A 95 13.101 -6.344 47.359 1.00 26.38 H new ATOM 0 HB2 SER A 95 13.314 -8.897 46.043 1.00 35.53 H new ATOM 0 HB3 SER A 95 13.316 -8.845 47.602 1.00 35.53 H new ATOM 0 HG SER A 95 11.305 -9.217 46.836 1.00 50.88 H new ATOM 722 N PRO A 96 15.578 -5.784 47.356 1.00 20.67 N ATOM 723 CA PRO A 96 16.992 -5.667 47.773 1.00 19.01 C ATOM 724 C PRO A 96 17.179 -6.544 48.986 1.00 16.83 C ATOM 725 O PRO A 96 16.468 -6.306 49.961 1.00 18.48 O ATOM 726 CB PRO A 96 17.225 -4.199 47.950 1.00 18.55 C ATOM 727 CG PRO A 96 15.941 -3.516 47.612 1.00 20.49 C ATOM 728 CD PRO A 96 14.950 -4.506 47.057 1.00 19.25 C ATOM 0 HA PRO A 96 17.658 -5.982 47.142 1.00 19.01 H new ATOM 0 HB2 PRO A 96 17.491 -4.000 48.861 1.00 18.55 H new ATOM 0 HB3 PRO A 96 17.941 -3.892 47.372 1.00 18.55 H new ATOM 0 HG2 PRO A 96 15.575 -3.092 48.404 1.00 20.49 H new ATOM 0 HG3 PRO A 96 16.103 -2.813 46.963 1.00 20.49 H new ATOM 0 HD2 PRO A 96 14.081 -4.423 47.480 1.00 19.25 H new ATOM 0 HD3 PRO A 96 14.814 -4.385 46.104 1.00 19.25 H new ATOM 729 N ALA A 97 18.050 -7.510 48.888 1.00 17.27 N ATOM 730 CA ALA A 97 18.274 -8.448 49.996 1.00 17.83 C ATOM 731 C ALA A 97 18.822 -7.764 51.255 1.00 18.62 C ATOM 732 O ALA A 97 18.592 -8.307 52.352 1.00 18.92 O ATOM 733 CB ALA A 97 19.248 -9.526 49.532 1.00 14.83 C ATOM 0 H ALA A 97 18.534 -7.656 48.192 1.00 17.27 H new ATOM 0 HA ALA A 97 17.417 -8.832 50.238 1.00 17.83 H new ATOM 0 HB1 ALA A 97 19.405 -10.153 50.255 1.00 14.83 H new ATOM 0 HB2 ALA A 97 18.872 -9.997 48.772 1.00 14.83 H new ATOM 0 HB3 ALA A 97 20.087 -9.114 49.273 1.00 14.83 H new ATOM 734 N ASN A 98 19.510 -6.623 51.086 1.00 15.58 N ATOM 735 CA ASN A 98 20.117 -6.003 52.261 1.00 14.13 C ATOM 736 C ASN A 98 19.374 -4.809 52.775 1.00 14.39 C ATOM 737 O ASN A 98 19.929 -4.113 53.629 1.00 14.21 O ATOM 738 CB ASN A 98 21.560 -5.686 51.890 1.00 13.20 C ATOM 739 CG ASN A 98 21.607 -4.619 50.794 1.00 15.75 C ATOM 740 OD1 ASN A 98 20.747 -4.534 49.931 1.00 16.76 O ATOM 741 ND2 ASN A 98 22.605 -3.749 50.816 1.00 12.48 N ATOM 0 H ASN A 98 19.630 -6.215 50.339 1.00 15.58 H new ATOM 0 HA ASN A 98 20.079 -6.620 53.009 1.00 14.13 H new ATOM 0 HB2 ASN A 98 22.041 -5.375 52.673 1.00 13.20 H new ATOM 0 HB3 ASN A 98 22.006 -6.491 51.585 1.00 13.20 H new ATOM 0 HD21 ASN A 98 22.646 -3.127 50.224 1.00 12.48 H new ATOM 0 HD22 ASN A 98 23.212 -3.806 51.422 1.00 12.48 H new ATOM 742 N LEU A 99 18.159 -4.600 52.310 1.00 14.81 N ATOM 743 CA LEU A 99 17.373 -3.443 52.777 1.00 15.42 C ATOM 744 C LEU A 99 17.005 -3.547 54.253 1.00 15.53 C ATOM 745 O LEU A 99 17.220 -2.506 54.897 1.00 15.21 O ATOM 746 CB LEU A 99 16.147 -3.236 51.900 1.00 18.82 C ATOM 747 CG LEU A 99 15.333 -1.988 52.252 1.00 19.83 C ATOM 748 CD1 LEU A 99 16.139 -0.746 51.972 1.00 22.26 C ATOM 749 CD2 LEU A 99 14.031 -2.016 51.486 1.00 24.65 C ATOM 0 H LEU A 99 17.764 -5.100 51.732 1.00 14.81 H new ATOM 0 HA LEU A 99 17.936 -2.658 52.695 1.00 15.42 H new ATOM 0 HB2 LEU A 99 16.430 -3.176 50.974 1.00 18.82 H new ATOM 0 HB3 LEU A 99 15.574 -4.015 51.972 1.00 18.82 H new ATOM 0 HG LEU A 99 15.123 -1.978 53.199 1.00 19.83 H new ATOM 0 HD11 LEU A 99 15.615 0.038 52.198 1.00 22.26 H new ATOM 0 HD12 LEU A 99 16.949 -0.758 52.506 1.00 22.26 H new ATOM 0 HD13 LEU A 99 16.373 -0.717 51.031 1.00 22.26 H new ATOM 0 HD21 LEU A 99 13.510 -1.228 51.704 1.00 24.65 H new ATOM 0 HD22 LEU A 99 14.216 -2.027 50.534 1.00 24.65 H new ATOM 0 HD23 LEU A 99 13.530 -2.811 51.727 1.00 24.65 H new ATOM 750 N ASP A 100 16.558 -4.638 54.815 1.00 15.03 N ATOM 751 CA ASP A 100 16.232 -4.701 56.243 1.00 14.80 C ATOM 752 C ASP A 100 17.447 -4.395 57.119 1.00 13.65 C ATOM 753 O ASP A 100 17.290 -3.758 58.172 1.00 15.24 O ATOM 754 CB ASP A 100 15.629 -6.070 56.589 1.00 16.73 C ATOM 755 CG ASP A 100 14.267 -6.167 55.921 1.00 24.89 C ATOM 756 OD1 ASP A 100 13.564 -5.143 55.958 1.00 32.90 O ATOM 757 OD2 ASP A 100 13.981 -7.223 55.341 1.00 35.76 O ATOM 0 H ASP A 100 16.429 -5.375 54.391 1.00 15.03 H new ATOM 0 HA ASP A 100 15.572 -4.015 56.429 1.00 14.80 H new ATOM 0 HB2 ASP A 100 16.209 -6.784 56.281 1.00 16.73 H new ATOM 0 HB3 ASP A 100 15.543 -6.169 57.550 1.00 16.73 H new ATOM 758 N GLN A 101 18.592 -4.886 56.687 1.00 13.28 N ATOM 759 CA GLN A 101 19.872 -4.660 57.375 1.00 14.76 C ATOM 760 C GLN A 101 20.231 -3.161 57.430 1.00 15.83 C ATOM 761 O GLN A 101 20.567 -2.602 58.490 1.00 17.06 O ATOM 762 CB GLN A 101 20.963 -5.502 56.730 1.00 13.36 C ATOM 763 CG GLN A 101 22.365 -5.245 57.242 1.00 12.22 C ATOM 764 CD GLN A 101 23.058 -4.129 56.461 1.00 23.44 C ATOM 765 OE1 GLN A 101 23.644 -3.138 56.912 1.00 23.27 O ATOM 766 NE2 GLN A 101 23.024 -4.268 55.156 1.00 12.30 N ATOM 0 H GLN A 101 18.660 -5.368 55.978 1.00 13.28 H new ATOM 0 HA GLN A 101 19.786 -4.946 58.298 1.00 14.76 H new ATOM 0 HB2 GLN A 101 20.751 -6.439 56.866 1.00 13.36 H new ATOM 0 HB3 GLN A 101 20.950 -5.344 55.773 1.00 13.36 H new ATOM 0 HG2 GLN A 101 22.328 -5.007 58.182 1.00 12.22 H new ATOM 0 HG3 GLN A 101 22.888 -6.059 57.176 1.00 12.22 H new ATOM 0 HE21 GLN A 101 22.625 -4.945 54.806 1.00 12.30 H new ATOM 0 HE22 GLN A 101 23.400 -3.682 54.651 1.00 12.30 H new ATOM 767 N ILE A 102 20.154 -2.480 56.284 1.00 15.95 N ATOM 768 CA ILE A 102 20.427 -1.040 56.192 1.00 16.43 C ATOM 769 C ILE A 102 19.457 -0.308 57.124 1.00 15.99 C ATOM 770 O ILE A 102 19.893 0.571 57.857 1.00 15.87 O ATOM 771 CB ILE A 102 20.348 -0.488 54.752 1.00 17.47 C ATOM 772 CG1 ILE A 102 21.603 -0.903 53.959 1.00 15.42 C ATOM 773 CG2 ILE A 102 20.213 1.027 54.697 1.00 11.11 C ATOM 774 CD1 ILE A 102 21.275 -0.882 52.475 1.00 14.52 C ATOM 0 H ILE A 102 19.941 -2.842 55.533 1.00 15.95 H new ATOM 0 HA ILE A 102 21.344 -0.887 56.467 1.00 16.43 H new ATOM 0 HB ILE A 102 19.547 -0.868 54.358 1.00 17.47 H new ATOM 0 HG12 ILE A 102 22.336 -0.297 54.149 1.00 15.42 H new ATOM 0 HG13 ILE A 102 21.891 -1.790 54.227 1.00 15.42 H new ATOM 0 HG21 ILE A 102 20.168 1.315 53.772 1.00 11.11 H new ATOM 0 HG22 ILE A 102 19.404 1.297 55.159 1.00 11.11 H new ATOM 0 HG23 ILE A 102 20.981 1.436 55.126 1.00 11.11 H new ATOM 0 HD11 ILE A 102 22.059 -1.142 51.966 1.00 14.52 H new ATOM 0 HD12 ILE A 102 20.552 -1.503 52.294 1.00 14.52 H new ATOM 0 HD13 ILE A 102 21.004 0.013 52.216 1.00 14.52 H new ATOM 775 N VAL A 103 18.184 -0.662 57.091 1.00 16.10 N ATOM 776 CA VAL A 103 17.164 -0.022 57.941 1.00 18.09 C ATOM 777 C VAL A 103 17.536 -0.135 59.417 1.00 17.91 C ATOM 778 O VAL A 103 17.367 0.831 60.190 1.00 18.06 O ATOM 779 CB VAL A 103 15.734 -0.509 57.634 1.00 17.62 C ATOM 780 CG1 VAL A 103 14.720 0.042 58.632 1.00 18.33 C ATOM 781 CG2 VAL A 103 15.273 0.004 56.269 1.00 14.45 C ATOM 0 H VAL A 103 17.876 -1.280 56.578 1.00 16.10 H new ATOM 0 HA VAL A 103 17.155 0.923 57.722 1.00 18.09 H new ATOM 0 HB VAL A 103 15.771 -1.478 57.672 1.00 17.62 H new ATOM 0 HG11 VAL A 103 13.835 -0.285 58.408 1.00 18.33 H new ATOM 0 HG12 VAL A 103 14.955 -0.250 59.527 1.00 18.33 H new ATOM 0 HG13 VAL A 103 14.725 1.011 58.597 1.00 18.33 H new ATOM 0 HG21 VAL A 103 14.373 -0.311 56.092 1.00 14.45 H new ATOM 0 HG22 VAL A 103 15.282 0.974 56.268 1.00 14.45 H new ATOM 0 HG23 VAL A 103 15.872 -0.325 55.580 1.00 14.45 H new ATOM 782 N SER A 104 18.048 -1.297 59.789 1.00 15.92 N ATOM 783 CA SER A 104 18.455 -1.606 61.136 1.00 16.71 C ATOM 784 C SER A 104 19.796 -1.065 61.603 1.00 17.70 C ATOM 785 O SER A 104 19.984 -1.003 62.834 1.00 19.70 O ATOM 786 CB SER A 104 18.685 -3.164 61.290 1.00 15.05 C ATOM 787 OG SER A 104 17.331 -3.593 61.233 1.00 32.63 O ATOM 0 H SER A 104 18.170 -1.948 59.240 1.00 15.92 H new ATOM 0 HA SER A 104 17.735 -1.206 61.648 1.00 16.71 H new ATOM 0 HB2 SER A 104 19.227 -3.536 60.576 1.00 15.05 H new ATOM 0 HB3 SER A 104 19.118 -3.398 62.126 1.00 15.05 H new ATOM 0 HG SER A 104 17.134 -3.794 60.442 1.00 32.63 H new ATOM 788 N ALA A 105 20.676 -0.777 60.662 1.00 16.17 N ATOM 789 CA ALA A 105 22.031 -0.341 60.968 1.00 15.42 C ATOM 790 C ALA A 105 22.127 0.932 61.797 1.00 15.79 C ATOM 791 O ALA A 105 21.209 1.747 61.775 1.00 16.58 O ATOM 792 CB ALA A 105 22.758 -0.256 59.629 1.00 16.19 C ATOM 0 H ALA A 105 20.506 -0.828 59.821 1.00 16.17 H new ATOM 0 HA ALA A 105 22.456 -0.984 61.557 1.00 15.42 H new ATOM 0 HB1 ALA A 105 23.673 0.032 59.775 1.00 16.19 H new ATOM 0 HB2 ALA A 105 22.758 -1.128 59.205 1.00 16.19 H new ATOM 0 HB3 ALA A 105 22.306 0.382 59.055 1.00 16.19 H new ATOM 793 N LYS A 106 23.228 1.009 62.529 1.00 17.51 N ATOM 794 CA LYS A 106 23.487 2.211 63.337 1.00 19.27 C ATOM 795 C LYS A 106 23.737 3.391 62.391 1.00 20.19 C ATOM 796 O LYS A 106 24.581 3.322 61.479 1.00 20.81 O ATOM 797 CB LYS A 106 24.706 1.963 64.220 1.00 20.96 C ATOM 798 CG LYS A 106 25.131 3.172 65.059 1.00 27.84 C ATOM 799 CD LYS A 106 25.298 2.782 66.507 1.00 42.21 C ATOM 800 CE LYS A 106 25.969 3.824 67.379 1.00 45.42 C ATOM 801 NZ LYS A 106 27.457 3.732 67.332 1.00 56.21 N ATOM 0 H LYS A 106 23.830 0.397 62.578 1.00 17.51 H new ATOM 0 HA LYS A 106 22.727 2.414 63.905 1.00 19.27 H new ATOM 0 HB2 LYS A 106 24.516 1.220 64.814 1.00 20.96 H new ATOM 0 HB3 LYS A 106 25.450 1.694 63.659 1.00 20.96 H new ATOM 0 HG2 LYS A 106 25.965 3.532 64.718 1.00 27.84 H new ATOM 0 HG3 LYS A 106 24.466 3.875 64.983 1.00 27.84 H new ATOM 0 HD2 LYS A 106 24.424 2.585 66.877 1.00 42.21 H new ATOM 0 HD3 LYS A 106 25.816 1.963 66.549 1.00 42.21 H new ATOM 0 HE2 LYS A 106 25.693 4.709 67.092 1.00 45.42 H new ATOM 0 HE3 LYS A 106 25.670 3.717 68.295 1.00 45.42 H new ATOM 0 HZ1 LYS A 106 27.810 4.359 67.856 1.00 56.21 H new ATOM 0 HZ2 LYS A 106 27.714 2.929 67.617 1.00 56.21 H new ATOM 0 HZ3 LYS A 106 27.736 3.853 66.496 1.00 56.21 H new ATOM 802 N LYS A 107 23.009 4.475 62.602 1.00 22.91 N ATOM 803 CA LYS A 107 23.073 5.746 61.836 1.00 25.17 C ATOM 804 C LYS A 107 22.415 6.889 62.618 1.00 28.20 C ATOM 805 O LYS A 107 21.619 6.576 63.535 1.00 27.01 O ATOM 806 CB LYS A 107 22.440 5.519 60.470 1.00 19.12 C ATOM 807 CG LYS A 107 20.964 5.241 60.361 1.00 17.85 C ATOM 808 CD LYS A 107 20.581 4.976 58.902 1.00 15.38 C ATOM 809 CE LYS A 107 20.815 3.504 58.617 1.00 15.16 C ATOM 810 NZ LYS A 107 19.815 2.718 59.435 1.00 14.48 N ATOM 0 H LYS A 107 22.424 4.506 63.231 1.00 22.91 H new ATOM 0 HA LYS A 107 23.995 6.015 61.702 1.00 25.17 H new ATOM 0 HB2 LYS A 107 22.626 6.304 59.932 1.00 19.12 H new ATOM 0 HB3 LYS A 107 22.905 4.775 60.057 1.00 19.12 H new ATOM 0 HG2 LYS A 107 20.731 4.474 60.908 1.00 17.85 H new ATOM 0 HG3 LYS A 107 20.460 5.996 60.703 1.00 17.85 H new ATOM 0 HD2 LYS A 107 19.652 5.208 58.748 1.00 15.38 H new ATOM 0 HD3 LYS A 107 21.113 5.526 58.306 1.00 15.38 H new ATOM 0 HE2 LYS A 107 20.704 3.318 57.672 1.00 15.16 H new ATOM 0 HE3 LYS A 107 21.722 3.251 58.851 1.00 15.16 H new ATOM 0 HZ1 LYS A 107 19.526 2.022 58.962 1.00 14.48 H new ATOM 0 HZ2 LYS A 107 20.204 2.428 60.181 1.00 14.48 H new ATOM 0 HZ3 LYS A 107 19.126 3.241 59.644 1.00 14.48 H new ATOM 811 N PRO A 108 22.747 8.150 62.292 1.00 29.55 N ATOM 812 CA PRO A 108 22.160 9.305 62.978 1.00 30.09 C ATOM 813 C PRO A 108 20.636 9.227 62.957 1.00 30.00 C ATOM 814 O PRO A 108 20.013 8.708 61.998 1.00 29.05 O ATOM 815 CB PRO A 108 22.752 10.513 62.263 1.00 29.73 C ATOM 816 CG PRO A 108 23.994 10.000 61.571 1.00 30.40 C ATOM 817 CD PRO A 108 23.665 8.541 61.215 1.00 29.65 C ATOM 0 HA PRO A 108 22.369 9.351 63.924 1.00 30.09 H new ATOM 0 HB2 PRO A 108 22.124 10.884 61.624 1.00 29.73 H new ATOM 0 HB3 PRO A 108 22.968 11.220 62.891 1.00 29.73 H new ATOM 0 HG2 PRO A 108 24.196 10.520 60.777 1.00 30.40 H new ATOM 0 HG3 PRO A 108 24.769 10.055 62.151 1.00 30.40 H new ATOM 0 HD2 PRO A 108 23.249 8.467 60.342 1.00 29.65 H new ATOM 0 HD3 PRO A 108 24.460 7.985 61.199 1.00 29.65 H new ATOM 818 N LYS A 109 20.041 9.752 64.038 1.00 29.26 N ATOM 819 CA LYS A 109 18.571 9.719 64.187 1.00 28.80 C ATOM 820 C LYS A 109 17.846 10.380 63.028 1.00 27.59 C ATOM 821 O LYS A 109 16.832 9.896 62.516 1.00 26.96 O ATOM 822 CB LYS A 109 18.171 10.350 65.509 1.00 37.17 C ATOM 823 CG LYS A 109 16.703 10.407 65.863 1.00 43.79 C ATOM 824 CD LYS A 109 16.443 11.645 66.709 1.00 65.19 C ATOM 825 CE LYS A 109 16.273 12.986 66.045 1.00 77.12 C ATOM 826 NZ LYS A 109 17.352 13.991 65.822 1.00 77.62 N ATOM 0 H LYS A 109 20.461 10.127 64.688 1.00 29.26 H new ATOM 0 HA LYS A 109 18.300 8.788 64.180 1.00 28.80 H new ATOM 0 HB2 LYS A 109 18.627 9.868 66.216 1.00 37.17 H new ATOM 0 HB3 LYS A 109 18.513 11.258 65.518 1.00 37.17 H new ATOM 0 HG2 LYS A 109 16.165 10.434 65.056 1.00 43.79 H new ATOM 0 HG3 LYS A 109 16.445 9.609 66.350 1.00 43.79 H new ATOM 0 HD2 LYS A 109 15.642 11.476 67.229 1.00 65.19 H new ATOM 0 HD3 LYS A 109 17.177 11.725 67.338 1.00 65.19 H new ATOM 0 HE2 LYS A 109 15.901 12.800 65.168 1.00 77.12 H new ATOM 0 HE3 LYS A 109 15.586 13.446 66.553 1.00 77.12 H new ATOM 0 HZ1 LYS A 109 17.013 14.705 65.412 1.00 77.62 H new ATOM 0 HZ2 LYS A 109 17.697 14.235 66.605 1.00 77.62 H new ATOM 0 HZ3 LYS A 109 17.991 13.634 65.315 1.00 77.62 H new ATOM 827 N ILE A 110 18.416 11.512 62.623 1.00 27.38 N ATOM 828 CA ILE A 110 17.835 12.286 61.515 1.00 25.78 C ATOM 829 C ILE A 110 17.931 11.492 60.222 1.00 24.18 C ATOM 830 O ILE A 110 17.008 11.477 59.371 1.00 24.66 O ATOM 831 CB ILE A 110 18.457 13.695 61.420 1.00 32.63 C ATOM 832 CG1 ILE A 110 17.898 14.392 60.188 1.00 31.72 C ATOM 833 CG2 ILE A 110 19.972 13.604 61.430 1.00 32.96 C ATOM 834 CD1 ILE A 110 16.425 14.106 59.942 1.00 42.81 C ATOM 0 H ILE A 110 19.128 11.849 62.967 1.00 27.38 H new ATOM 0 HA ILE A 110 16.892 12.434 61.689 1.00 25.78 H new ATOM 0 HB ILE A 110 18.220 14.232 62.192 1.00 32.63 H new ATOM 0 HG12 ILE A 110 18.022 15.349 60.283 1.00 31.72 H new ATOM 0 HG13 ILE A 110 18.408 14.116 59.410 1.00 31.72 H new ATOM 0 HG21 ILE A 110 20.350 14.495 61.370 1.00 32.96 H new ATOM 0 HG22 ILE A 110 20.266 13.183 62.253 1.00 32.96 H new ATOM 0 HG23 ILE A 110 20.270 13.075 60.673 1.00 32.96 H new ATOM 0 HD11 ILE A 110 16.132 14.577 59.146 1.00 42.81 H new ATOM 0 HD12 ILE A 110 16.297 13.153 59.818 1.00 42.81 H new ATOM 0 HD13 ILE A 110 15.905 14.405 60.704 1.00 42.81 H new ATOM 835 N VAL A 111 19.079 10.811 60.141 1.00 22.55 N ATOM 836 CA VAL A 111 19.295 9.974 58.940 1.00 20.29 C ATOM 837 C VAL A 111 18.190 8.934 58.931 1.00 20.83 C ATOM 838 O VAL A 111 17.487 8.705 57.944 1.00 21.65 O ATOM 839 CB VAL A 111 20.683 9.351 58.933 1.00 23.12 C ATOM 840 CG1 VAL A 111 20.728 8.267 57.853 1.00 18.82 C ATOM 841 CG2 VAL A 111 21.735 10.426 58.664 1.00 25.09 C ATOM 0 H VAL A 111 19.711 10.812 60.725 1.00 22.55 H new ATOM 0 HA VAL A 111 19.256 10.508 58.131 1.00 20.29 H new ATOM 0 HB VAL A 111 20.874 8.952 59.796 1.00 23.12 H new ATOM 0 HG11 VAL A 111 21.609 7.861 57.838 1.00 18.82 H new ATOM 0 HG12 VAL A 111 20.063 7.588 58.048 1.00 18.82 H new ATOM 0 HG13 VAL A 111 20.541 8.664 56.988 1.00 18.82 H new ATOM 0 HG21 VAL A 111 22.617 10.022 58.661 1.00 25.09 H new ATOM 0 HG22 VAL A 111 21.565 10.837 57.802 1.00 25.09 H new ATOM 0 HG23 VAL A 111 21.692 11.102 59.358 1.00 25.09 H new ATOM 842 N GLN A 112 18.057 8.279 60.098 1.00 21.68 N ATOM 843 CA GLN A 112 17.044 7.214 60.259 1.00 19.25 C ATOM 844 C GLN A 112 15.689 7.764 59.911 1.00 18.82 C ATOM 845 O GLN A 112 14.972 7.039 59.197 1.00 20.48 O ATOM 846 CB GLN A 112 17.098 6.628 61.668 1.00 19.20 C ATOM 847 CG GLN A 112 16.266 5.345 61.766 1.00 20.04 C ATOM 848 CD GLN A 112 16.781 4.174 60.959 1.00 20.05 C ATOM 849 OE1 GLN A 112 17.957 4.015 60.646 1.00 25.53 O ATOM 850 NE2 GLN A 112 15.871 3.276 60.613 1.00 19.19 N ATOM 0 H GLN A 112 18.534 8.432 60.797 1.00 21.68 H new ATOM 0 HA GLN A 112 17.233 6.482 59.652 1.00 19.25 H new ATOM 0 HB2 GLN A 112 18.019 6.439 61.907 1.00 19.20 H new ATOM 0 HB3 GLN A 112 16.768 7.280 62.305 1.00 19.20 H new ATOM 0 HG2 GLN A 112 16.217 5.080 62.698 1.00 20.04 H new ATOM 0 HG3 GLN A 112 15.360 5.542 61.480 1.00 20.04 H new ATOM 0 HE21 GLN A 112 15.048 3.391 60.834 1.00 19.19 H new ATOM 0 HE22 GLN A 112 16.103 2.578 60.167 1.00 19.19 H new ATOM 851 N GLU A 113 15.311 8.945 60.353 1.00 19.21 N ATOM 852 CA GLU A 113 13.973 9.458 60.024 1.00 19.82 C ATOM 853 C GLU A 113 13.789 9.630 58.542 1.00 20.84 C ATOM 854 O GLU A 113 12.764 9.150 58.024 1.00 23.05 O ATOM 855 CB GLU A 113 13.690 10.772 60.733 1.00 28.70 C ATOM 856 CG GLU A 113 13.968 10.500 62.214 1.00 61.89 C ATOM 857 CD GLU A 113 13.685 11.677 63.121 1.00 77.61 C ATOM 858 OE1 GLU A 113 13.785 12.845 62.667 1.00 86.92 O ATOM 859 OE2 GLU A 113 13.367 11.382 64.303 1.00 88.39 O ATOM 0 H GLU A 113 15.795 9.466 60.837 1.00 19.21 H new ATOM 0 HA GLU A 113 13.339 8.793 60.336 1.00 19.82 H new ATOM 0 HB2 GLU A 113 14.258 11.482 60.395 1.00 28.70 H new ATOM 0 HB3 GLU A 113 12.772 11.054 60.595 1.00 28.70 H new ATOM 0 HG2 GLU A 113 13.430 9.746 62.501 1.00 61.89 H new ATOM 0 HG3 GLU A 113 14.897 10.241 62.317 1.00 61.89 H new ATOM 860 N ARG A 114 14.795 10.257 57.939 1.00 21.24 N ATOM 861 CA ARG A 114 14.696 10.438 56.480 1.00 20.77 C ATOM 862 C ARG A 114 14.657 9.095 55.769 1.00 20.51 C ATOM 863 O ARG A 114 13.888 9.021 54.795 1.00 22.09 O ATOM 864 CB ARG A 114 15.840 11.283 55.937 1.00 22.16 C ATOM 865 CG ARG A 114 15.790 12.697 56.472 1.00 23.99 C ATOM 866 CD ARG A 114 16.603 13.635 55.604 1.00 21.55 C ATOM 867 NE ARG A 114 16.183 14.993 55.979 1.00 19.36 N ATOM 868 CZ ARG A 114 17.025 15.970 55.622 1.00 22.13 C ATOM 869 NH1 ARG A 114 18.107 15.559 54.985 1.00 18.20 N ATOM 870 NH2 ARG A 114 16.717 17.209 55.931 1.00 21.98 N ATOM 0 H ARG A 114 15.501 10.569 58.318 1.00 21.24 H new ATOM 0 HA ARG A 114 13.867 10.910 56.307 1.00 20.77 H new ATOM 0 HB2 ARG A 114 16.687 10.875 56.177 1.00 22.16 H new ATOM 0 HB3 ARG A 114 15.798 11.301 54.968 1.00 22.16 H new ATOM 0 HG2 ARG A 114 14.869 13.000 56.508 1.00 23.99 H new ATOM 0 HG3 ARG A 114 16.130 12.715 57.380 1.00 23.99 H new ATOM 0 HD2 ARG A 114 17.553 13.511 55.753 1.00 21.55 H new ATOM 0 HD3 ARG A 114 16.439 13.468 54.663 1.00 21.55 H new ATOM 0 HE ARG A 114 15.448 15.149 56.398 1.00 19.36 H new ATOM 0 HH11 ARG A 114 18.223 14.721 54.832 1.00 18.20 H new ATOM 0 HH12 ARG A 114 18.695 16.130 54.724 1.00 18.20 H new ATOM 0 HH21 ARG A 114 15.987 17.378 56.354 1.00 21.98 H new ATOM 0 HH22 ARG A 114 17.245 17.851 55.710 1.00 21.98 H new ATOM 871 N LEU A 115 15.425 8.133 56.224 1.00 19.22 N ATOM 872 CA LEU A 115 15.426 6.813 55.595 1.00 19.80 C ATOM 873 C LEU A 115 14.045 6.135 55.613 1.00 21.63 C ATOM 874 O LEU A 115 13.519 5.545 54.643 1.00 22.97 O ATOM 875 CB LEU A 115 16.433 5.890 56.276 1.00 17.58 C ATOM 876 CG LEU A 115 16.415 4.416 55.801 1.00 18.15 C ATOM 877 CD1 LEU A 115 16.502 4.352 54.286 1.00 18.84 C ATOM 878 CD2 LEU A 115 17.591 3.695 56.443 1.00 16.03 C ATOM 0 H LEU A 115 15.957 8.213 56.895 1.00 19.22 H new ATOM 0 HA LEU A 115 15.675 6.962 54.669 1.00 19.80 H new ATOM 0 HB2 LEU A 115 17.323 6.248 56.134 1.00 17.58 H new ATOM 0 HB3 LEU A 115 16.269 5.907 57.232 1.00 17.58 H new ATOM 0 HG LEU A 115 15.586 3.987 56.066 1.00 18.15 H new ATOM 0 HD11 LEU A 115 16.490 3.425 54.000 1.00 18.84 H new ATOM 0 HD12 LEU A 115 15.746 4.820 53.898 1.00 18.84 H new ATOM 0 HD13 LEU A 115 17.326 4.770 53.991 1.00 18.84 H new ATOM 0 HD21 LEU A 115 17.597 2.768 56.157 1.00 16.03 H new ATOM 0 HD22 LEU A 115 18.419 4.122 56.173 1.00 16.03 H new ATOM 0 HD23 LEU A 115 17.507 3.735 57.409 1.00 16.03 H new ATOM 879 N GLU A 116 13.450 6.233 56.803 1.00 22.50 N ATOM 880 CA GLU A 116 12.119 5.650 57.035 1.00 22.58 C ATOM 881 C GLU A 116 11.095 6.301 56.151 1.00 22.38 C ATOM 882 O GLU A 116 10.279 5.609 55.553 1.00 23.81 O ATOM 883 CB GLU A 116 11.855 5.787 58.544 1.00 28.51 C ATOM 884 CG GLU A 116 12.568 4.527 59.074 1.00 37.83 C ATOM 885 CD GLU A 116 12.447 4.363 60.568 1.00 46.41 C ATOM 886 OE1 GLU A 116 11.871 5.264 61.207 1.00 56.96 O ATOM 887 OE2 GLU A 116 12.947 3.323 61.034 1.00 46.44 O ATOM 0 H GLU A 116 13.793 6.628 57.485 1.00 22.50 H new ATOM 0 HA GLU A 116 12.067 4.711 56.795 1.00 22.58 H new ATOM 0 HB2 GLU A 116 12.229 6.603 58.911 1.00 28.51 H new ATOM 0 HB3 GLU A 116 10.908 5.790 58.753 1.00 28.51 H new ATOM 0 HG2 GLU A 116 12.197 3.744 58.637 1.00 37.83 H new ATOM 0 HG3 GLU A 116 13.507 4.568 58.834 1.00 37.83 H new ATOM 888 N LYS A 117 11.210 7.602 56.042 1.00 23.88 N ATOM 889 CA LYS A 117 10.279 8.318 55.168 1.00 26.45 C ATOM 890 C LYS A 117 10.457 7.908 53.712 1.00 28.51 C ATOM 891 O LYS A 117 9.447 7.551 53.102 1.00 27.16 O ATOM 892 CB LYS A 117 10.436 9.819 55.312 1.00 31.05 C ATOM 893 CG LYS A 117 9.473 10.515 54.337 1.00 47.98 C ATOM 894 CD LYS A 117 8.584 11.436 55.152 1.00 59.28 C ATOM 895 CE LYS A 117 8.085 12.646 54.386 1.00 68.21 C ATOM 896 NZ LYS A 117 7.698 13.732 55.349 1.00 79.86 N ATOM 0 H LYS A 117 11.795 8.087 56.445 1.00 23.88 H new ATOM 0 HA LYS A 117 9.382 8.075 55.445 1.00 26.45 H new ATOM 0 HB2 LYS A 117 10.245 10.091 56.223 1.00 31.05 H new ATOM 0 HB3 LYS A 117 11.351 10.080 55.124 1.00 31.05 H new ATOM 0 HG2 LYS A 117 9.967 11.019 53.671 1.00 47.98 H new ATOM 0 HG3 LYS A 117 8.939 9.861 53.859 1.00 47.98 H new ATOM 0 HD2 LYS A 117 7.821 10.932 55.475 1.00 59.28 H new ATOM 0 HD3 LYS A 117 9.075 11.738 55.932 1.00 59.28 H new ATOM 0 HE2 LYS A 117 8.775 12.966 53.785 1.00 68.21 H new ATOM 0 HE3 LYS A 117 7.323 12.401 53.838 1.00 68.21 H new ATOM 0 HZ1 LYS A 117 7.406 14.440 54.896 1.00 79.86 H new ATOM 0 HZ2 LYS A 117 7.053 13.437 55.886 1.00 79.86 H new ATOM 0 HZ3 LYS A 117 8.406 13.963 55.836 1.00 79.86 H new ATOM 897 N VAL A 118 11.671 7.965 53.173 1.00 31.04 N ATOM 898 CA VAL A 118 11.849 7.606 51.754 1.00 33.89 C ATOM 899 C VAL A 118 11.301 6.208 51.505 1.00 34.99 C ATOM 900 O VAL A 118 10.619 6.033 50.500 1.00 36.36 O ATOM 901 CB VAL A 118 13.271 7.665 51.190 1.00 43.70 C ATOM 902 CG1 VAL A 118 14.084 8.686 51.955 1.00 48.16 C ATOM 903 CG2 VAL A 118 13.951 6.305 51.202 1.00 44.88 C ATOM 0 H VAL A 118 12.387 8.200 53.588 1.00 31.04 H new ATOM 0 HA VAL A 118 11.360 8.300 51.285 1.00 33.89 H new ATOM 0 HB VAL A 118 13.212 7.937 50.261 1.00 43.70 H new ATOM 0 HG11 VAL A 118 14.984 8.720 51.594 1.00 48.16 H new ATOM 0 HG12 VAL A 118 13.669 9.559 51.871 1.00 48.16 H new ATOM 0 HG13 VAL A 118 14.121 8.435 52.891 1.00 48.16 H new ATOM 0 HG21 VAL A 118 14.846 6.387 50.838 1.00 44.88 H new ATOM 0 HG22 VAL A 118 14.002 5.977 52.113 1.00 44.88 H new ATOM 0 HG23 VAL A 118 13.439 5.682 50.663 1.00 44.88 H new ATOM 904 N ILE A 119 11.612 5.296 52.401 1.00 35.55 N ATOM 905 CA ILE A 119 11.145 3.934 52.270 1.00 37.84 C ATOM 906 C ILE A 119 9.635 3.775 52.380 1.00 41.81 C ATOM 907 O ILE A 119 9.047 2.953 51.641 1.00 41.46 O ATOM 908 CB ILE A 119 11.805 3.078 53.349 1.00 27.00 C ATOM 909 CG1 ILE A 119 13.278 2.879 53.028 1.00 24.15 C ATOM 910 CG2 ILE A 119 11.098 1.745 53.387 1.00 32.67 C ATOM 911 CD1 ILE A 119 13.891 1.873 53.974 1.00 31.14 C ATOM 0 H ILE A 119 12.095 5.445 53.097 1.00 35.55 H new ATOM 0 HA ILE A 119 11.389 3.649 51.375 1.00 37.84 H new ATOM 0 HB ILE A 119 11.739 3.516 54.212 1.00 27.00 H new ATOM 0 HG12 ILE A 119 13.377 2.574 52.113 1.00 24.15 H new ATOM 0 HG13 ILE A 119 13.747 3.725 53.097 1.00 24.15 H new ATOM 0 HG21 ILE A 119 11.502 1.184 54.067 1.00 32.67 H new ATOM 0 HG22 ILE A 119 10.161 1.882 53.596 1.00 32.67 H new ATOM 0 HG23 ILE A 119 11.177 1.312 52.523 1.00 32.67 H new ATOM 0 HD11 ILE A 119 14.829 1.756 53.758 1.00 31.14 H new ATOM 0 HD12 ILE A 119 13.807 2.193 54.886 1.00 31.14 H new ATOM 0 HD13 ILE A 119 13.431 1.024 53.886 1.00 31.14 H new ATOM 912 N ALA A 120 9.048 4.527 53.303 1.00 44.79 N ATOM 913 CA ALA A 120 7.596 4.458 53.531 1.00 49.59 C ATOM 914 C ALA A 120 6.824 4.788 52.247 1.00 52.61 C ATOM 915 O ALA A 120 5.831 4.151 51.873 1.00 53.45 O ATOM 916 CB ALA A 120 7.158 5.399 54.647 1.00 40.28 C ATOM 0 H ALA A 120 9.464 5.084 53.809 1.00 44.79 H new ATOM 0 HA ALA A 120 7.393 3.548 53.800 1.00 49.59 H new ATOM 0 HB1 ALA A 120 6.199 5.329 54.771 1.00 40.28 H new ATOM 0 HB2 ALA A 120 7.609 5.156 55.471 1.00 40.28 H new ATOM 0 HB3 ALA A 120 7.387 6.311 54.410 1.00 40.28 H new ATOM 917 N SER A 121 7.352 5.819 51.612 1.00 54.55 N ATOM 918 CA SER A 121 6.926 6.445 50.384 1.00 57.12 C ATOM 919 C SER A 121 7.180 5.618 49.125 1.00 59.05 C ATOM 920 O SER A 121 6.673 6.022 48.068 1.00 59.91 O ATOM 921 CB SER A 121 7.603 7.823 50.226 1.00 60.68 C ATOM 922 OG SER A 121 7.301 8.794 51.218 1.00 69.89 O ATOM 0 H SER A 121 8.048 6.211 51.930 1.00 54.55 H new ATOM 0 HA SER A 121 5.963 6.533 50.465 1.00 57.12 H new ATOM 0 HB2 SER A 121 8.564 7.690 50.214 1.00 60.68 H new ATOM 0 HB3 SER A 121 7.356 8.185 49.361 1.00 60.68 H new ATOM 0 HG SER A 121 7.786 8.667 51.892 1.00 69.89 H new ATOM 923 N ALA A 122 7.907 4.519 49.201 1.00 60.22 N ATOM 924 CA ALA A 122 8.208 3.641 48.067 1.00 60.30 C ATOM 925 C ALA A 122 7.500 2.284 48.168 1.00 61.29 C ATOM 926 O ALA A 122 6.254 2.220 48.189 1.00 61.99 O ATOM 927 CB ALA A 122 9.702 3.372 47.948 1.00 52.59 C ATOM 0 H ALA A 122 8.255 4.247 49.939 1.00 60.22 H new ATOM 0 HA ALA A 122 7.885 4.116 47.285 1.00 60.30 H new ATOM 0 HB1 ALA A 122 9.867 2.790 47.190 1.00 52.59 H new ATOM 0 HB2 ALA A 122 10.173 4.210 47.819 1.00 52.59 H new ATOM 0 HB3 ALA A 122 10.020 2.945 48.759 1.00 52.59 H new TER 928 ALA A 122 HETATM 929 O HOH A 124 15.506 12.361 38.534 1.00 16.33 O HETATM 930 O HOH A 125 18.271 13.496 51.535 1.00 14.05 O HETATM 931 O HOH A 126 17.779 -6.468 44.296 1.00 23.16 O HETATM 932 O HOH A 127 13.846 16.860 49.822 1.00 22.31 O HETATM 933 O HOH A 128 25.086 -0.872 62.467 1.00 18.44 O HETATM 934 O HOH A 129 16.045 -6.982 53.108 1.00 21.08 O HETATM 935 O HOH A 130 19.157 -7.934 46.333 1.00 20.66 O HETATM 936 O HOH A 131 24.575 -3.926 52.911 1.00 19.03 O HETATM 937 O HOH A 132 27.593 23.273 55.776 1.00 31.91 O HETATM 938 O HOH A 133 26.315 23.488 51.498 1.00 43.83 O HETATM 939 O HOH A 134 28.120 14.981 59.061 1.00 44.08 O HETATM 940 O HOH A 135 14.878 14.378 49.741 1.00 18.15 O HETATM 941 O HOH A 136 36.090 13.746 48.718 1.00 46.42 O HETATM 942 O HOH A 137 21.887 -7.746 47.052 1.00 34.90 O HETATM 943 O HOH A 138 30.148 15.210 44.212 1.00 22.85 O HETATM 944 O HOH A 139 24.248 -8.486 45.009 1.00 50.67 O HETATM 945 O HOH A 140 15.057 -3.750 59.655 1.00 22.43 O HETATM 946 O HOH A 141 23.644 -7.349 49.072 1.00 37.37 O HETATM 947 O HOH A 142 19.140 -2.997 32.695 1.00 43.00 O HETATM 948 O HOH A 143 30.226 11.703 56.948 1.00 30.73 O HETATM 949 O HOH A 144 27.346 -1.652 41.683 1.00 21.25 O HETATM 950 O HOH A 145 26.759 5.484 59.731 1.00 37.65 O HETATM 951 O HOH A 146 31.543 11.038 37.252 1.00 35.13 O HETATM 952 O HOH A 147 18.802 -2.128 64.925 1.00 30.42 O HETATM 953 O HOH A 148 30.839 5.079 56.031 1.00 40.91 O HETATM 954 O HOH A 149 14.152 7.087 41.263 1.00 41.89 O HETATM 955 O HOH A 150 12.093 21.917 57.380 1.00 99.90 O HETATM 956 O HOH A 151 15.390 7.903 34.213 1.00 36.95 O HETATM 957 O HOH A 152 15.596 13.349 52.434 1.00 25.48 O HETATM 958 O HOH A 153 18.910 24.827 48.180 1.00 32.93 O HETATM 959 O HOH A 154 26.246 26.156 49.335 1.00 35.96 O HETATM 960 O HOH A 155 12.642 11.246 46.954 1.00 33.42 O HETATM 961 O HOH A 156 15.612 20.378 58.137 1.00 56.72 O HETATM 962 O HOH A 157 24.373 -3.403 59.533 1.00 29.29 O HETATM 963 O HOH A 158 8.048 20.802 51.287 1.00 65.53 O HETATM 964 O HOH A 159 10.231 9.103 59.627 1.00 46.64 O HETATM 965 O HOH A 160 33.718 5.327 50.938 1.00 46.81 O HETATM 966 O HOH A 161 29.307 6.729 57.651 1.00 45.82 O HETATM 967 O HOH A 162 36.185 16.594 48.336 1.00 62.07 O HETATM 968 O HOH A 163 22.144 10.585 66.349 1.00 49.79 O HETATM 969 O HOH A 164 18.058 -10.879 46.033 1.00 54.91 O HETATM 970 O HOH A 165 13.370 11.668 53.285 1.00 32.24 O HETATM 971 O HOH A 166 13.593 -5.775 50.364 1.00 38.87 O HETATM 972 O HOH A 167 28.315 2.379 58.579 1.00 48.97 O HETATM 973 O HOH A 168 12.976 -2.156 44.627 1.00 62.63 O HETATM 974 O HOH A 169 20.759 11.483 30.663 1.00 43.62 O HETATM 975 O HOH A 170 9.318 3.292 56.760 1.00 52.44 O HETATM 976 O HOH A 171 15.798 -10.956 47.738 1.00 48.19 O HETATM 977 O HOH A 172 29.402 -3.870 51.538 1.00 83.40 O HETATM 978 O HOH A 173 30.613 1.836 51.322 1.00 32.05 O HETATM 979 O HOH A 174 29.970 1.397 40.887 1.00 51.39 O HETATM 980 O HOH A 175 20.931 12.929 64.716 1.00 56.07 O HETATM 981 O HOH A 176 22.185 17.454 63.105 1.00 39.76 O HETATM 982 O HOH A 177 32.297 7.861 37.560 1.00 99.90 O HETATM 983 O HOH A 178 35.114 6.974 43.595 1.00 57.08 O HETATM 984 O HOH A 179 11.456 11.716 51.130 1.00 46.12 O HETATM 985 O HOH A 180 25.838 27.217 46.373 1.00 57.60 O HETATM 986 O HOH A 181 29.218 0.647 43.564 1.00 44.81 O HETATM 987 O HOH A 182 30.135 -5.478 39.908 1.00 42.55 O HETATM 988 O HOH A 183 16.652 24.728 46.565 1.00 66.27 O HETATM 989 O HOH A 184 26.979 6.660 62.519 1.00 85.07 O HETATM 990 O HOH A 185 26.620 -1.319 59.823 1.00 50.39 O HETATM 991 O HOH A 186 30.815 -1.314 52.456 1.00 54.65 O HETATM 992 O HOH A 187 12.675 -5.403 52.891 1.00 52.21 O HETATM 993 O HOH A 188 11.973 8.724 43.246 1.00 45.98 O HETATM 994 O HOH A 189 32.821 8.142 55.576 1.00 49.70 O HETATM 995 O HOH A 190 10.661 -5.058 45.706 1.00 53.38 O HETATM 996 O HOH A 191 17.257 0.053 33.095 1.00 70.10 O HETATM 997 O HOH A 192 22.730 3.088 31.339 1.00 56.23 O HETATM 998 O HOH A 193 13.783 -4.340 38.899 1.00 49.59 O HETATM 999 O HOH A 194 26.893 -13.368 51.032 1.00 48.49 O HETATM 1000 O HOH A 195 19.015 1.856 29.123 1.00 44.54 O HETATM 1001 O HOH A 196 25.546 22.082 39.096 1.00 63.89 O HETATM 1002 O HOH A 197 26.636 1.701 60.661 1.00 34.18 O HETATM 1003 O HOH A 198 30.602 4.046 38.988 1.00 36.63 O HETATM 1004 O HOH A 199 12.746 13.092 48.803 1.00 33.26 O HETATM 1005 O HOH A 200 31.467 -8.333 41.192 1.00 52.26 O HETATM 1006 O HOH A 201 30.082 5.825 35.744 1.00 46.72 O HETATM 1007 O HOH A 202 20.670 -0.669 32.150 1.00 39.62 O HETATM 1008 O HOH A 203 29.815 -0.644 38.899 1.00 57.95 O HETATM 1009 O HOH A 204 30.357 -1.836 41.917 1.00 38.47 O HETATM 1010 O HOH A 205 23.495 13.881 63.667 1.00 69.75 O HETATM 1011 O HOH A 206 28.236 3.223 32.650 1.00 47.23 O HETATM 1012 O HOH A 207 13.173 -2.854 57.964 1.00 50.94 O HETATM 1013 O HOH A 208 28.789 4.314 62.866 1.00 72.35 O HETATM 1014 O HOH A 209 29.349 12.553 60.079 1.00 66.02 O HETATM 1015 O HOH A 210 19.786 25.907 45.241 1.00 41.98 O HETATM 1016 O HOH A 211 22.400 24.365 57.285 1.00 49.92 O HETATM 1017 O HOH A 212 32.126 5.505 53.627 1.00 44.92 O HETATM 1018 O HOH A 213 23.209 14.326 34.083 1.00 56.66 O HETATM 1019 O HOH A 214 34.727 15.077 51.066 1.00 44.78 O HETATM 1020 O HOH A 215 18.563 18.290 36.119 1.00 34.90 O HETATM 1021 O HOH A 216 21.158 3.799 65.327 1.00 42.90 O HETATM 1022 O HOH A 217 13.702 15.462 57.750 1.00 42.57 O HETATM 1023 O HOH A 218 35.690 23.288 46.910 1.00 58.31 O HETATM 1024 O HOH A 219 29.205 -5.729 53.537 1.00 68.91 O HETATM 1025 O HOH A 220 28.387 8.756 61.821 1.00 73.66 O HETATM 1026 O HOH A 221 27.467 14.641 64.281 1.00 61.36 O HETATM 1027 O HOH A 222 22.961 26.055 54.120 1.00 75.72 O HETATM 1028 O HOH A 223 15.608 2.486 35.325 1.00 62.30 O HETATM 1029 O HOH A 224 25.393 11.667 33.347 1.00 54.11 O HETATM 1030 O HOH A 225 15.267 -2.081 63.744 1.00 60.25 O HETATM 1031 O HOH A 226 35.765 10.894 42.287 1.00 63.55 O HETATM 1032 O HOH A 227 20.726 26.718 41.767 1.00 65.00 O HETATM 1033 O HOH A 228 23.447 5.663 31.264 1.00 66.17 O HETATM 1034 O HOH A 229 13.968 4.829 37.864 1.00 82.82 O HETATM 1035 O HOH A 230 10.931 5.997 42.117 1.00 55.66 O HETATM 1036 O HOH A 231 6.465 8.645 53.943 1.00 67.65 O HETATM 1037 O HOH A 232 20.324 14.178 30.573 1.00 60.63 O HETATM 1038 O HOH A 233 11.543 1.506 57.429 1.00 99.90 O HETATM 1039 O HOH A 234 10.116 7.704 48.535 1.00 60.19 O HETATM 1040 O HOH A 235 16.120 0.738 63.030 1.00 72.43 O HETATM 1041 O HOH A 236 25.390 12.073 63.919 1.00 82.19 O HETATM 1042 O HOH A 237 25.062 7.633 31.864 1.00 50.67 O HETATM 1043 O HOH A 238 16.469 -8.283 40.729 1.00 46.75 O HETATM 1044 O HOH A 239 28.125 20.491 45.821 1.00 59.02 O HETATM 1045 O HOH A 240 11.658 -1.168 56.256 1.00 64.57 O HETATM 1046 O HOH A 241 35.570 9.345 53.536 1.00 59.44 O HETATM 1047 O HOH A 242 20.075 24.677 54.564 1.00 36.18 O HETATM 1048 O HOH A 243 13.109 6.772 63.572 1.00 77.26 O HETATM 1049 O HOH A 244 15.414 15.569 64.178 1.00 63.86 O HETATM 1050 O HOH A 245 16.950 -5.907 37.747 1.00 61.62 O HETATM 1051 O HOH A 246 22.978 25.705 40.538 1.00 99.90 O HETATM 1052 O HOH A 247 14.347 23.569 46.929 1.00 65.40 O HETATM 1053 O HOH A 248 18.790 27.213 48.949 1.00 57.40 O HETATM 1054 O HOH A 249 26.180 1.375 31.977 1.00 54.22 O HETATM 1055 O HOH A 250 9.376 7.926 46.012 1.00 99.05 O HETATM 1056 O HOH A 251 36.264 13.409 53.874 1.00 99.90 O HETATM 1057 O HOH A 252 19.552 18.911 57.808 1.00 55.48 O HETATM 1058 O HOH A 253 34.215 2.973 42.771 1.00 94.55 O HETATM 1059 O HOH A 254 18.774 2.354 63.234 1.00 63.17 O HETATM 1060 O HOH A 255 10.792 21.414 54.285 1.00 70.55 O HETATM 1061 O HOH A 256 11.590 13.113 58.069 1.00 69.74 O HETATM 1062 O HOH A 257 37.277 17.651 51.084 1.00 63.45 O HETATM 1063 O HOH A 258 21.417 27.777 51.824 1.00 57.67 O HETATM 1064 O HOH A 259 19.112 6.658 65.259 0.50 39.59 O HETATM 1065 O HOH A 260 16.886 6.267 65.429 0.50 37.53 O END