USER MOD reduce.3.24.130724 H: found=0, std=0, add=1432, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1428 hydrogens (0 hets) HEADER DNA BINDING PROTEIN 29-MAY-00 1F2R TITLE NMR STRUCTURE OF THE HETERODIMERIC COMPLEX BETWEEN CAD TITLE 2 DOMAINS OF CAD AND ICAD COMPND MOL_ID: 1; COMPND 2 MOLECULE: CASPASE-ACTIVATED DNASE; COMPND 3 CHAIN: C; COMPND 4 FRAGMENT: N-TERMINAL DOMAIN (CAD DOMAIN), RESIDUES 1-87; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: INHIBITOR OF CASPASE-ACTIVATED DNASE; COMPND 8 CHAIN: I; COMPND 9 FRAGMENT: N-TERMINAL DOMAIN (CAD DOMAIN), RESIDUES 1-100; COMPND 0 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 4 ORGANISM_TAXID: 10090; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET32; SOURCE 9 MOL_ID: 2; SOURCE 0 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 1 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 2 ORGANISM_TAXID: 10090; SOURCE 3 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 4 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 5 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 6 EXPRESSION_SYSTEM_PLASMID: PET32 KEYWDS ALPHA-BETA ROLL, PROTEIN-PROTEIN COMPLEX, DNA BINDING KEYWDS 2 PROTEIN EXPDTA SOLUTION NMR AUTHOR T.OTOMO,H.SAKAHIRA,K.UEGAKI,S.NAGATA,T.YAMAZAKI REVDAT 3 24-FEB-09 1F2R 1 VERSN REVDAT 2 30-AUG-00 1F2R 1 JRNL REVDAT 1 08-JUN-00 1F2R 0 JRNL AUTH T.OTOMO,H.SAKAHIRA,K.UEGAKI,S.NAGATA,T.YAMAZAKI JRNL TITL STRUCTURE OF THE HETERODIMERIC COMPLEX BETWEEN CAD JRNL TITL 2 DOMAINS OF CAD AND ICAD. JRNL REF NAT.STRUCT.BIOL. V. 7 658 2000 JRNL REFN ISSN 1072-8368 JRNL PMID 10932250 JRNL DOI 10.1038/77957 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH K.UEGAKI,T.OTOMO,H.SAKAHIRA,M.SHIMIZU,N.YUMOTO, REMARK 1 AUTH 2 Y.KYOGOKU,S.NAGATA,T.YAMAZAKI REMARK 1 TITL STRUCTURE OF THE CAD DOMAIN OF CASPASE-ACTIVATED REMARK 1 TITL 2 DNASE AND INTERACTION WITH THE CAD DOMAIN OF ITS REMARK 1 TITL 3 INHIBITOR. REMARK 1 REF J.MOL.BIOL. V. 297 1121 2000 REMARK 1 REFN ISSN 0022-2836 REMARK 1 DOI 10.1006/JMBI.2000.3643 REMARK 1 REFERENCE 2 REMARK 1 AUTH M.ENARI,H.SAKAHIRA,H.YOKOYAMA,K.OKAWA,A.IWAMATSU, REMARK 1 AUTH 2 S.NAGATA REMARK 1 TITL A CASPASE-ACTIVATED DNASE THAT DEGRADES DNA DURING REMARK 1 TITL 2 APOPTOSIS, AND ITS INHIBITOR ICAD. REMARK 1 REF NATURE V. 391 43 1998 REMARK 1 REFN ISSN 0028-0836 REMARK 1 DOI 10.1038/34112 REMARK 1 REFERENCE 3 REMARK 1 AUTH H.SAKAHIRA,M.ENARI,S.NAGATA REMARK 1 TITL CLEAVAGE OF CAD INHIBITOR IN CAD ACTIVATION AND REMARK 1 TITL 2 DNA DEGRADATION DURING APOPTOSIS. REMARK 1 REF NATURE V. 391 96 1998 REMARK 1 REFN ISSN 0028-0836 REMARK 1 DOI 10.1038/34214 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.841 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL REMARK 3 OF 2646 RESTRAINTS, 2503 ARE NOE-DERIVED DISTANCE CONSTRAINTS, REMARK 3 93 DIHEDRAL ANGLE RESTRAINTS,50 DISTANCE RESTRAINTS FROM REMARK 3 HYDROGEN BONDS. REMARK 4 REMARK 4 1F2R COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-MAY-00. REMARK 100 THE RCSB ID CODE IS RCSB011172. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 308 REMARK 210 PH : 6.4 REMARK 210 IONIC STRENGTH : 0 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 0.6MM CAD U-15N,13C/0.6MM REMARK 210 ICAD UNLABELED; 20MM PHOPHATE REMARK 210 BUFFER PH6.4; 0.6MM CAD U-15N, REMARK 210 13C/0.6MM ICAD UNLABELED; 20MM REMARK 210 PHOPHATE BUFFER PH6.4; 0.6MM REMARK 210 ICAD U-15N,13C/0.6MM CAD REMARK 210 UNLABELED; 20MM PHOPHATE REMARK 210 BUFFER PH6.4; 0.6MM ICAD U- REMARK 210 15N,13C/0.6MM CAD UNLABELED; REMARK 210 20MM PHOPHATE BUFFER PH6.4 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY, 3D_ REMARK 210 15N-SEPARATED_NOESY, 4D_13C- REMARK 210 SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ, 800 MHZ REMARK 210 SPECTROMETER MODEL : DMX, DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.841 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. 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 CYS C 2 66.76 -114.37 REMARK 500 SER C 47 131.24 170.38 REMARK 500 THR C 59 -148.71 -146.99 REMARK 500 PRO C 67 -159.72 -61.21 REMARK 500 ASN C 68 -136.96 -61.12 REMARK 500 ASP C 69 82.53 -28.68 REMARK 500 GLU C 71 86.32 -59.11 REMARK 500 ALA C 77 73.82 -68.26 REMARK 500 TYR C 84 89.86 -50.31 REMARK 500 SER I 4 102.98 -51.03 REMARK 500 ALA I 7 -31.11 171.79 REMARK 500 ALA I 9 151.24 59.47 REMARK 500 PRO I 10 -157.63 -61.67 REMARK 500 ARG I 16 63.12 63.10 REMARK 500 PRO I 17 58.25 -63.63 REMARK 500 LEU I 18 119.35 57.74 REMARK 500 PRO I 20 83.86 -62.81 REMARK 500 ASN I 26 165.19 -45.90 REMARK 500 ARG I 29 70.63 -64.14 REMARK 500 SER I 37 -71.51 -85.30 REMARK 500 ASP I 53 156.82 -46.10 REMARK 500 VAL I 70 69.91 -106.78 REMARK 500 ASP I 73 30.51 -141.27 REMARK 500 LEU I 79 153.83 -40.89 REMARK 500 PRO I 80 173.36 -59.34 REMARK 500 SER I 81 59.11 -66.81 REMARK 500 ASN I 82 116.78 173.12 REMARK 500 ALA I 89 63.23 -66.65 REMARK 500 ASN I 91 -57.82 -158.46 REMARK 500 THR I 95 31.75 -89.60 REMARK 500 TYR I 96 -60.37 -127.01 REMARK 500 SER I 99 51.73 -94.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG C 6 0.19 SIDE_CHAIN REMARK 500 ARG C 14 0.19 SIDE_CHAIN REMARK 500 ARG C 27 0.21 SIDE_CHAIN REMARK 500 ARG C 34 0.21 SIDE_CHAIN REMARK 500 ARG C 39 0.30 SIDE_CHAIN REMARK 500 ARG C 48 0.29 SIDE_CHAIN REMARK 500 ARG I 5 0.27 SIDE_CHAIN REMARK 500 ARG I 16 0.30 SIDE_CHAIN REMARK 500 ARG I 24 0.29 SIDE_CHAIN REMARK 500 ARG I 25 0.31 SIDE_CHAIN REMARK 500 ARG I 29 0.29 SIDE_CHAIN REMARK 500 ARG I 43 0.32 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1C9F RELATED DB: PDB REMARK 900 1C9F IS THE NMR STRUCTURE OF THE CAD DOMAIN OF CAD IN THE REMARK 900 FREE STATE. DBREF 1F2R C 1 87 UNP O54788 DFFB_MOUSE 1 87 DBREF 1F2R I 1 100 UNP O54786 DFFA_MOUSE 1 100 SEQRES 1 C 87 MET CYS ALA VAL LEU ARG GLN PRO LYS CYS VAL LYS LEU SEQRES 2 C 87 ARG ALA LEU HIS SER ALA CYS LYS PHE GLY VAL ALA ALA SEQRES 3 C 87 ARG SER CYS GLN GLU LEU LEU ARG LYS GLY CYS VAL ARG SEQRES 4 C 87 PHE GLN LEU PRO MET PRO GLY SER ARG LEU CYS LEU TYR SEQRES 5 C 87 GLU ASP GLY THR GLU VAL THR ASP ASP CYS PHE PRO GLY SEQRES 6 C 87 LEU PRO ASN ASP ALA GLU LEU LEU LEU LEU THR ALA GLY SEQRES 7 C 87 GLU THR TRP HIS GLY TYR VAL SER ASP SEQRES 1 I 100 MET GLU LEU SER ARG GLY ALA SER ALA PRO ASP PRO ASP SEQRES 2 I 100 ASP VAL ARG PRO LEU LYS PRO CYS LEU LEU ARG ARG ASN SEQRES 3 I 100 HIS SER ARG ASP GLN HIS GLY VAL ALA ALA SER SER LEU SEQRES 4 I 100 GLU GLU LEU ARG SER LYS ALA CYS GLU LEU LEU ALA ILE SEQRES 5 I 100 ASP LYS SER LEU THR PRO ILE THR LEU VAL LEU ALA GLU SEQRES 6 I 100 ASP GLY THR ILE VAL ASP ASP ASP ASP TYR PHE LEU CYS SEQRES 7 I 100 LEU PRO SER ASN THR LYS PHE VAL ALA LEU ALA CYS ASN SEQRES 8 I 100 GLU LYS TRP THR TYR ASN ASP SER ASP HELIX 1 1 SER C 28 GLN C 41 1 14 HELIX 2 2 SER I 38 ALA I 51 1 14 HELIX 3 3 ASP I 53 THR I 57 5 5 SHEET 1 A 5 LYS C 21 ALA C 26 0 SHEET 2 A 5 LYS C 9 ARG C 14 -1 N LYS C 9 O ALA C 26 SHEET 3 A 5 ALA C 70 LEU C 75 1 O ALA C 70 N LYS C 12 SHEET 4 A 5 ARG C 48 LEU C 51 -1 N ARG C 48 O LEU C 75 SHEET 5 A 5 GLU C 57 VAL C 58 -1 N VAL C 58 O LEU C 49 SHEET 1 B 4 SER I 28 ALA I 36 0 SHEET 2 B 4 LYS I 19 ARG I 25 -1 N LYS I 19 O ALA I 36 SHEET 3 B 4 LYS I 84 LEU I 88 1 N PHE I 85 O LEU I 22 SHEET 4 B 4 THR I 60 LEU I 63 -1 O THR I 60 N LEU I 88 CISPEP 1 THR I 57 PRO I 58 0 -0.69 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 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 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 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: I 21 CYS SG : rot -130:sc= 0.538 USER MOD Set 1.2: I 83 THR OG1 : rot 180:sc= -1.09! USER MOD Single : C 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 2 CYS SG : rot 180:sc= 0 USER MOD Single : C 7 GLN : amide:sc= -0.161 K(o=-0.16,f=-2.6!) USER MOD Single : C 9 LYS NZ :NH3+ -151:sc=-0.00926 (180deg=-0.419) USER MOD Single : C 10 CYS SG : rot 16:sc= -0.33 USER MOD Single : C 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 17 HIS : no HD1:sc= -2.02 K(o=-2,f=-0.39) USER MOD Single : C 18 SER OG : rot 180:sc= 0 USER MOD Single : C 20 CYS SG : rot -109:sc= -1.97! USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 28 SER OG : rot 30:sc= 0.735 USER MOD Single : C 29 CYS SG : rot 150:sc= -0.3 USER MOD Single : C 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 37 CYS SG : rot -11:sc= -4.03! USER MOD Single : C 41 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : C 44 MET CE :methyl -155:sc= -0.0769 (180deg=-1.67) USER MOD Single : C 47 SER OG : rot 71:sc= -2.13! USER MOD Single : C 50 CYS SG : rot 87:sc= -6.33! USER MOD Single : C 52 TYR OH : rot 180:sc= 0 USER MOD Single : C 56 THR OG1 : rot -170:sc= -1.79! USER MOD Single : C 59 THR OG1 : rot 180:sc= -0.318 USER MOD Single : C 62 CYS SG : rot 180:sc= 0 USER MOD Single : C 68 ASN : amide:sc= -0.154! C(o=-0.15!,f=-5.8!) USER MOD Single : C 76 THR OG1 : rot 180:sc= 0 USER MOD Single : C 80 THR OG1 : rot 180:sc= 0 USER MOD Single : C 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 84 TYR OH : rot 180:sc= 0 USER MOD Single : C 86 SER OG : rot 180:sc= 0 USER MOD Single : I 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : I 1 MET N :NH3+ -174:sc= -0.034 (180deg=-0.126) USER MOD Single : I 4 SER OG : rot 180:sc= 0.0374 USER MOD Single : I 8 SER OG : rot 180:sc= 0 USER MOD Single : I 19 LYS NZ :NH3+ -172:sc= 1.18 (180deg=1) USER MOD Single : I 26 ASN : amide:sc= -8.3! C(o=-8.3!,f=-6.9!) USER MOD Single : I 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : I 28 SER OG : rot 48:sc= 0.0501 USER MOD Single : I 31 GLN : amide:sc= -0.601 X(o=-0.6,f=-0.9) USER MOD Single : I 32 HIS : no HD1:sc= -1.89 K(o=-1.9,f=-1.2) USER MOD Single : I 37 SER OG : rot 180:sc= -2.21! USER MOD Single : I 38 SER OG : rot 180:sc= 0 USER MOD Single : I 44 SER OG : rot 180:sc= 0 USER MOD Single : I 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 47 CYS SG : rot -47:sc= -0.959! USER MOD Single : I 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 55 SER OG : rot 180:sc= 0 USER MOD Single : I 57 THR OG1 : rot -99:sc=-0.00528! USER MOD Single : I 60 THR OG1 : rot 180:sc= 0 USER MOD Single : I 68 THR OG1 : rot 120:sc= -0.163 USER MOD Single : I 75 TYR OH : rot 30:sc= -0.544 USER MOD Single : I 78 CYS SG : rot 180:sc= 0 USER MOD Single : I 81 SER OG : rot 180:sc= 0.195 USER MOD Single : I 82 ASN : amide:sc= -2.31! C(o=-2.3!,f=-5.3!) USER MOD Single : I 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 90 CYS SG : rot 180:sc= 0 USER MOD Single : I 91 ASN : amide:sc= -0.0371 K(o=-0.037,f=-1.8!) USER MOD Single : I 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 95 THR OG1 : rot 180:sc= 0.136 USER MOD Single : I 96 TYR OH : rot 180:sc= 0 USER MOD Single : I 97 ASN : amide:sc= -0.191 K(o=-0.19,f=-0.86) USER MOD Single : I 99 SER OG : rot -51:sc= 0.406 USER MOD ----------------------------------------------------------------- ATOM 1 N MET C 1 156.147 31.817 5.664 1.00 6.40 N ATOM 2 CA MET C 1 157.236 30.876 6.056 1.00 5.86 C ATOM 3 C MET C 1 157.020 29.513 5.394 1.00 5.11 C ATOM 4 O MET C 1 156.031 28.847 5.629 1.00 5.13 O ATOM 5 CB MET C 1 157.128 30.758 7.576 1.00 6.54 C ATOM 6 CG MET C 1 158.530 30.656 8.181 1.00 6.86 C ATOM 7 SD MET C 1 158.917 32.186 9.066 1.00 7.77 S ATOM 8 CE MET C 1 160.498 32.524 8.253 1.00 8.32 C ATOM 0 H1 MET C 1 156.304 32.739 6.119 1.00 6.40 H new ATOM 0 H2 MET C 1 156.147 31.937 4.631 1.00 6.40 H new ATOM 0 H3 MET C 1 155.230 31.433 5.968 1.00 6.40 H new ATOM 0 HA MET C 1 158.219 31.228 5.744 1.00 5.86 H new ATOM 0 HB2 MET C 1 156.607 31.625 7.983 1.00 6.54 H new ATOM 0 HB3 MET C 1 156.541 29.879 7.842 1.00 6.54 H new ATOM 0 HG2 MET C 1 158.583 29.806 8.861 1.00 6.86 H new ATOM 0 HG3 MET C 1 159.265 30.482 7.395 1.00 6.86 H new ATOM 0 HE1 MET C 1 160.924 33.443 8.654 1.00 8.32 H new ATOM 0 HE2 MET C 1 161.184 31.697 8.434 1.00 8.32 H new ATOM 0 HE3 MET C 1 160.339 32.636 7.180 1.00 8.32 H new ATOM 20 N CYS C 2 157.939 29.091 4.568 1.00 4.80 N ATOM 21 CA CYS C 2 157.785 27.771 3.893 1.00 4.35 C ATOM 22 C CYS C 2 158.873 26.804 4.368 1.00 3.74 C ATOM 23 O CYS C 2 159.739 26.409 3.613 1.00 3.73 O ATOM 24 CB CYS C 2 157.946 28.067 2.401 1.00 4.98 C ATOM 25 SG CYS C 2 156.353 28.582 1.713 1.00 5.73 S ATOM 0 H CYS C 2 158.789 29.603 4.332 1.00 4.80 H new ATOM 0 HA CYS C 2 156.825 27.304 4.115 1.00 4.35 H new ATOM 0 HB2 CYS C 2 158.689 28.851 2.253 1.00 4.98 H new ATOM 0 HB3 CYS C 2 158.310 27.181 1.881 1.00 4.98 H new ATOM 0 HG CYS C 2 156.490 28.836 0.445 1.00 5.73 H new ATOM 31 N ALA C 3 158.835 26.420 5.615 1.00 3.58 N ATOM 32 CA ALA C 3 159.867 25.479 6.136 1.00 3.30 C ATOM 33 C ALA C 3 160.067 24.319 5.157 1.00 2.76 C ATOM 34 O ALA C 3 159.158 23.561 4.883 1.00 2.75 O ATOM 35 CB ALA C 3 159.305 24.970 7.464 1.00 3.78 C ATOM 0 H ALA C 3 158.135 26.717 6.295 1.00 3.58 H new ATOM 0 HA ALA C 3 160.838 25.959 6.262 1.00 3.30 H new ATOM 0 HB1 ALA C 3 160.009 24.269 7.912 1.00 3.78 H new ATOM 0 HB2 ALA C 3 159.150 25.811 8.140 1.00 3.78 H new ATOM 0 HB3 ALA C 3 158.354 24.467 7.288 1.00 3.78 H new ATOM 41 N VAL C 4 161.251 24.175 4.626 1.00 2.68 N ATOM 42 CA VAL C 4 161.507 23.064 3.664 1.00 2.43 C ATOM 43 C VAL C 4 161.757 21.756 4.418 1.00 2.09 C ATOM 44 O VAL C 4 162.703 21.634 5.171 1.00 2.23 O ATOM 45 CB VAL C 4 162.757 23.487 2.895 1.00 3.02 C ATOM 46 CG1 VAL C 4 163.332 22.280 2.150 1.00 3.30 C ATOM 47 CG2 VAL C 4 162.392 24.580 1.888 1.00 3.63 C ATOM 0 H VAL C 4 162.052 24.778 4.816 1.00 2.68 H new ATOM 0 HA VAL C 4 160.660 22.889 3.001 1.00 2.43 H new ATOM 0 HB VAL C 4 163.500 23.870 3.594 1.00 3.02 H new ATOM 0 HG11 VAL C 4 164.224 22.582 1.601 1.00 3.30 H new ATOM 0 HG12 VAL C 4 163.593 21.501 2.866 1.00 3.30 H new ATOM 0 HG13 VAL C 4 162.589 21.896 1.451 1.00 3.30 H new ATOM 0 HG21 VAL C 4 163.284 24.882 1.339 1.00 3.63 H new ATOM 0 HG22 VAL C 4 161.648 24.197 1.189 1.00 3.63 H new ATOM 0 HG23 VAL C 4 161.983 25.441 2.417 1.00 3.63 H new ATOM 57 N LEU C 5 160.918 20.776 4.221 1.00 1.76 N ATOM 58 CA LEU C 5 161.111 19.477 4.927 1.00 1.50 C ATOM 59 C LEU C 5 162.147 18.624 4.190 1.00 1.58 C ATOM 60 O LEU C 5 162.504 18.900 3.062 1.00 1.81 O ATOM 61 CB LEU C 5 159.740 18.802 4.896 1.00 1.20 C ATOM 62 CG LEU C 5 159.307 18.460 6.322 1.00 1.17 C ATOM 63 CD1 LEU C 5 157.879 18.956 6.556 1.00 1.23 C ATOM 64 CD2 LEU C 5 159.357 16.943 6.519 1.00 1.14 C ATOM 0 H LEU C 5 160.108 20.818 3.602 1.00 1.76 H new ATOM 0 HA LEU C 5 161.476 19.610 5.945 1.00 1.50 H new ATOM 0 HB2 LEU C 5 159.008 19.463 4.431 1.00 1.20 H new ATOM 0 HB3 LEU C 5 159.782 17.897 4.291 1.00 1.20 H new ATOM 0 HG LEU C 5 159.980 18.943 7.031 1.00 1.17 H new ATOM 0 HD11 LEU C 5 157.571 18.712 7.573 1.00 1.23 H new ATOM 0 HD12 LEU C 5 157.841 20.036 6.415 1.00 1.23 H new ATOM 0 HD13 LEU C 5 157.206 18.474 5.847 1.00 1.23 H new ATOM 0 HD21 LEU C 5 159.049 16.698 7.535 1.00 1.14 H new ATOM 0 HD22 LEU C 5 158.684 16.462 5.809 1.00 1.14 H new ATOM 0 HD23 LEU C 5 160.374 16.588 6.353 1.00 1.14 H new ATOM 76 N ARG C 6 162.633 17.589 4.819 1.00 1.51 N ATOM 77 CA ARG C 6 163.646 16.719 4.153 1.00 1.65 C ATOM 78 C ARG C 6 162.949 15.629 3.335 1.00 1.43 C ATOM 79 O ARG C 6 163.494 15.112 2.380 1.00 1.65 O ATOM 80 CB ARG C 6 164.449 16.099 5.297 1.00 1.86 C ATOM 81 CG ARG C 6 165.232 17.194 6.024 1.00 2.16 C ATOM 82 CD ARG C 6 166.657 17.255 5.471 1.00 2.47 C ATOM 83 NE ARG C 6 167.239 18.500 6.045 1.00 2.71 N ATOM 84 CZ ARG C 6 168.437 18.482 6.563 1.00 3.05 C ATOM 85 NH1 ARG C 6 169.379 17.775 6.002 1.00 3.34 N ATOM 86 NH2 ARG C 6 168.692 19.171 7.642 1.00 3.60 N ATOM 0 H ARG C 6 162.373 17.308 5.764 1.00 1.51 H new ATOM 0 HA ARG C 6 164.281 17.276 3.465 1.00 1.65 H new ATOM 0 HB2 ARG C 6 163.780 15.593 5.993 1.00 1.86 H new ATOM 0 HB3 ARG C 6 165.133 15.345 4.908 1.00 1.86 H new ATOM 0 HG2 ARG C 6 164.738 18.157 5.893 1.00 2.16 H new ATOM 0 HG3 ARG C 6 165.254 16.990 7.095 1.00 2.16 H new ATOM 0 HD2 ARG C 6 167.233 16.378 5.766 1.00 2.47 H new ATOM 0 HD3 ARG C 6 166.657 17.285 4.381 1.00 2.47 H new ATOM 0 HE ARG C 6 166.701 19.367 6.033 1.00 2.71 H new ATOM 0 HH11 ARG C 6 169.179 17.237 5.159 1.00 3.34 H new ATOM 0 HH12 ARG C 6 170.315 17.761 6.406 1.00 3.34 H new ATOM 0 HH21 ARG C 6 167.955 19.723 8.080 1.00 3.60 H new ATOM 0 HH22 ARG C 6 169.628 19.157 8.047 1.00 3.60 H new ATOM 100 N GLN C 7 161.747 15.276 3.702 1.00 1.17 N ATOM 101 CA GLN C 7 161.016 14.220 2.945 1.00 1.03 C ATOM 102 C GLN C 7 159.503 14.380 3.143 1.00 0.87 C ATOM 103 O GLN C 7 159.065 14.875 4.163 1.00 0.82 O ATOM 104 CB GLN C 7 161.499 12.898 3.542 1.00 1.08 C ATOM 105 CG GLN C 7 161.222 12.885 5.047 1.00 1.52 C ATOM 106 CD GLN C 7 162.160 11.889 5.731 1.00 1.86 C ATOM 107 OE1 GLN C 7 163.076 11.379 5.116 1.00 2.27 O ATOM 108 NE2 GLN C 7 161.970 11.588 6.986 1.00 2.26 N ATOM 0 H GLN C 7 161.240 15.673 4.493 1.00 1.17 H new ATOM 0 HA GLN C 7 161.204 14.274 1.873 1.00 1.03 H new ATOM 0 HB2 GLN C 7 160.991 12.062 3.061 1.00 1.08 H new ATOM 0 HB3 GLN C 7 162.566 12.771 3.357 1.00 1.08 H new ATOM 0 HG2 GLN C 7 161.368 13.882 5.463 1.00 1.52 H new ATOM 0 HG3 GLN C 7 160.184 12.610 5.234 1.00 1.52 H new ATOM 0 HE21 GLN C 7 161.201 12.016 7.502 1.00 2.26 H new ATOM 0 HE22 GLN C 7 162.590 10.925 7.451 1.00 2.26 H new ATOM 117 N PRO C 8 158.750 13.954 2.159 1.00 0.84 N ATOM 118 CA PRO C 8 157.273 14.053 2.230 1.00 0.73 C ATOM 119 C PRO C 8 156.736 13.240 3.412 1.00 0.65 C ATOM 120 O PRO C 8 156.974 12.053 3.520 1.00 0.78 O ATOM 121 CB PRO C 8 156.830 13.444 0.896 1.00 0.81 C ATOM 122 CG PRO C 8 158.081 13.016 0.106 1.00 0.95 C ATOM 123 CD PRO C 8 159.328 13.356 0.933 1.00 0.96 C ATOM 0 HA PRO C 8 156.909 15.069 2.380 1.00 0.73 H new ATOM 0 HB2 PRO C 8 156.181 12.585 1.070 1.00 0.81 H new ATOM 0 HB3 PRO C 8 156.252 14.169 0.323 1.00 0.81 H new ATOM 0 HG2 PRO C 8 158.047 11.947 -0.104 1.00 0.95 H new ATOM 0 HG3 PRO C 8 158.114 13.529 -0.855 1.00 0.95 H new ATOM 0 HD2 PRO C 8 159.921 12.469 1.156 1.00 0.96 H new ATOM 0 HD3 PRO C 8 159.982 14.054 0.411 1.00 0.96 H new ATOM 131 N LYS C 9 156.014 13.868 4.299 1.00 0.58 N ATOM 132 CA LYS C 9 155.464 13.128 5.472 1.00 0.51 C ATOM 133 C LYS C 9 154.481 12.053 5.003 1.00 0.48 C ATOM 134 O LYS C 9 154.184 11.939 3.830 1.00 0.56 O ATOM 135 CB LYS C 9 154.744 14.186 6.308 1.00 0.47 C ATOM 136 CG LYS C 9 155.421 14.304 7.675 1.00 0.99 C ATOM 137 CD LYS C 9 155.377 12.950 8.387 1.00 0.67 C ATOM 138 CE LYS C 9 155.936 13.101 9.804 1.00 0.92 C ATOM 139 NZ LYS C 9 157.405 13.266 9.621 1.00 1.79 N ATOM 0 H LYS C 9 155.781 14.860 4.263 1.00 0.58 H new ATOM 0 HA LYS C 9 156.242 12.621 6.042 1.00 0.51 H new ATOM 0 HB2 LYS C 9 154.767 15.147 5.795 1.00 0.47 H new ATOM 0 HB3 LYS C 9 153.695 13.915 6.432 1.00 0.47 H new ATOM 0 HG2 LYS C 9 156.454 14.629 7.554 1.00 0.99 H new ATOM 0 HG3 LYS C 9 154.917 15.060 8.278 1.00 0.99 H new ATOM 0 HD2 LYS C 9 154.352 12.581 8.426 1.00 0.67 H new ATOM 0 HD3 LYS C 9 155.960 12.215 7.831 1.00 0.67 H new ATOM 0 HE2 LYS C 9 155.502 13.963 10.310 1.00 0.92 H new ATOM 0 HE3 LYS C 9 155.710 12.226 10.413 1.00 0.92 H new ATOM 0 HZ1 LYS C 9 157.903 12.896 10.456 1.00 1.79 H new ATOM 0 HZ2 LYS C 9 157.710 12.743 8.775 1.00 1.79 H new ATOM 0 HZ3 LYS C 9 157.629 14.275 9.504 1.00 1.79 H new ATOM 153 N CYS C 10 153.974 11.264 5.910 1.00 0.45 N ATOM 154 CA CYS C 10 153.011 10.197 5.513 1.00 0.43 C ATOM 155 C CYS C 10 151.965 9.986 6.612 1.00 0.40 C ATOM 156 O CYS C 10 152.266 10.024 7.791 1.00 0.43 O ATOM 157 CB CYS C 10 153.865 8.940 5.338 1.00 0.49 C ATOM 158 SG CYS C 10 154.809 9.062 3.798 1.00 0.54 S ATOM 0 H CYS C 10 154.184 11.311 6.907 1.00 0.45 H new ATOM 0 HA CYS C 10 152.466 10.452 4.604 1.00 0.43 H new ATOM 0 HB2 CYS C 10 154.542 8.827 6.184 1.00 0.49 H new ATOM 0 HB3 CYS C 10 153.229 8.055 5.318 1.00 0.49 H new ATOM 0 HG CYS C 10 154.808 10.295 3.385 1.00 0.54 H new ATOM 164 N VAL C 11 150.737 9.759 6.240 1.00 0.37 N ATOM 165 CA VAL C 11 149.684 9.543 7.269 1.00 0.35 C ATOM 166 C VAL C 11 148.526 8.730 6.685 1.00 0.33 C ATOM 167 O VAL C 11 148.363 8.635 5.485 1.00 0.39 O ATOM 168 CB VAL C 11 149.213 10.945 7.659 1.00 0.35 C ATOM 169 CG1 VAL C 11 150.394 11.747 8.211 1.00 0.40 C ATOM 170 CG2 VAL C 11 148.649 11.654 6.426 1.00 0.37 C ATOM 0 H VAL C 11 150.418 9.714 5.272 1.00 0.37 H new ATOM 0 HA VAL C 11 150.059 8.986 8.128 1.00 0.35 H new ATOM 0 HB VAL C 11 148.438 10.868 8.422 1.00 0.35 H new ATOM 0 HG11 VAL C 11 150.057 12.746 8.489 1.00 0.40 H new ATOM 0 HG12 VAL C 11 150.797 11.243 9.089 1.00 0.40 H new ATOM 0 HG13 VAL C 11 151.169 11.824 7.449 1.00 0.40 H new ATOM 0 HG21 VAL C 11 148.313 12.653 6.703 1.00 0.37 H new ATOM 0 HG22 VAL C 11 149.424 11.730 5.664 1.00 0.37 H new ATOM 0 HG23 VAL C 11 147.807 11.084 6.032 1.00 0.37 H new ATOM 180 N LYS C 12 147.719 8.143 7.527 1.00 0.35 N ATOM 181 CA LYS C 12 146.571 7.336 7.023 1.00 0.35 C ATOM 182 C LYS C 12 145.252 7.915 7.543 1.00 0.33 C ATOM 183 O LYS C 12 144.970 7.877 8.724 1.00 0.34 O ATOM 184 CB LYS C 12 146.798 5.930 7.580 1.00 0.40 C ATOM 185 CG LYS C 12 147.793 5.183 6.689 1.00 0.73 C ATOM 186 CD LYS C 12 147.438 3.695 6.662 1.00 0.73 C ATOM 187 CE LYS C 12 148.558 2.916 5.968 1.00 0.63 C ATOM 188 NZ LYS C 12 149.161 2.076 7.039 1.00 1.21 N ATOM 0 H LYS C 12 147.805 8.187 8.542 1.00 0.35 H new ATOM 0 HA LYS C 12 146.511 7.336 5.935 1.00 0.35 H new ATOM 0 HB2 LYS C 12 147.179 5.988 8.600 1.00 0.40 H new ATOM 0 HB3 LYS C 12 145.854 5.387 7.623 1.00 0.40 H new ATOM 0 HG2 LYS C 12 147.770 5.591 5.679 1.00 0.73 H new ATOM 0 HG3 LYS C 12 148.807 5.319 7.065 1.00 0.73 H new ATOM 0 HD2 LYS C 12 147.298 3.325 7.678 1.00 0.73 H new ATOM 0 HD3 LYS C 12 146.495 3.544 6.136 1.00 0.73 H new ATOM 0 HE2 LYS C 12 148.168 2.302 5.157 1.00 0.63 H new ATOM 0 HE3 LYS C 12 149.296 3.589 5.532 1.00 0.63 H new ATOM 0 HZ1 LYS C 12 149.938 1.511 6.641 1.00 1.21 H new ATOM 0 HZ2 LYS C 12 149.530 2.688 7.794 1.00 1.21 H new ATOM 0 HZ3 LYS C 12 148.437 1.441 7.431 1.00 1.21 H new ATOM 202 N LEU C 13 144.445 8.452 6.671 1.00 0.32 N ATOM 203 CA LEU C 13 143.146 9.034 7.116 1.00 0.32 C ATOM 204 C LEU C 13 142.097 7.931 7.277 1.00 0.32 C ATOM 205 O LEU C 13 141.508 7.478 6.316 1.00 0.48 O ATOM 206 CB LEU C 13 142.743 9.998 6.000 1.00 0.35 C ATOM 207 CG LEU C 13 142.677 11.422 6.552 1.00 0.50 C ATOM 208 CD1 LEU C 13 144.091 11.915 6.863 1.00 0.81 C ATOM 209 CD2 LEU C 13 142.034 12.342 5.512 1.00 0.52 C ATOM 0 H LEU C 13 144.628 8.514 5.669 1.00 0.32 H new ATOM 0 HA LEU C 13 143.227 9.536 8.080 1.00 0.32 H new ATOM 0 HB2 LEU C 13 143.463 9.947 5.184 1.00 0.35 H new ATOM 0 HB3 LEU C 13 141.775 9.711 5.590 1.00 0.35 H new ATOM 0 HG LEU C 13 142.081 11.431 7.464 1.00 0.50 H new ATOM 0 HD11 LEU C 13 144.044 12.930 7.257 1.00 0.81 H new ATOM 0 HD12 LEU C 13 144.550 11.260 7.603 1.00 0.81 H new ATOM 0 HD13 LEU C 13 144.688 11.907 5.951 1.00 0.81 H new ATOM 0 HD21 LEU C 13 141.986 13.358 5.905 1.00 0.52 H new ATOM 0 HD22 LEU C 13 142.631 12.333 4.600 1.00 0.52 H new ATOM 0 HD23 LEU C 13 141.026 11.991 5.290 1.00 0.52 H new ATOM 221 N ARG C 14 141.858 7.496 8.484 1.00 0.29 N ATOM 222 CA ARG C 14 140.845 6.423 8.704 1.00 0.31 C ATOM 223 C ARG C 14 139.575 7.011 9.326 1.00 0.31 C ATOM 224 O ARG C 14 139.633 7.813 10.237 1.00 0.35 O ATOM 225 CB ARG C 14 141.510 5.442 9.670 1.00 0.35 C ATOM 226 CG ARG C 14 140.464 4.462 10.203 1.00 0.46 C ATOM 227 CD ARG C 14 141.120 3.104 10.463 1.00 0.86 C ATOM 228 NE ARG C 14 140.065 2.101 10.147 1.00 1.10 N ATOM 229 CZ ARG C 14 139.921 1.045 10.901 1.00 1.50 C ATOM 230 NH1 ARG C 14 140.057 1.145 12.195 1.00 1.95 N ATOM 231 NH2 ARG C 14 139.640 -0.109 10.361 1.00 2.31 N ATOM 0 H ARG C 14 142.320 7.837 9.327 1.00 0.29 H new ATOM 0 HA ARG C 14 140.547 5.940 7.773 1.00 0.31 H new ATOM 0 HB2 ARG C 14 142.307 4.899 9.162 1.00 0.35 H new ATOM 0 HB3 ARG C 14 141.970 5.984 10.496 1.00 0.35 H new ATOM 0 HG2 ARG C 14 140.025 4.848 11.123 1.00 0.46 H new ATOM 0 HG3 ARG C 14 139.652 4.354 9.484 1.00 0.46 H new ATOM 0 HD2 ARG C 14 141.999 2.963 9.835 1.00 0.86 H new ATOM 0 HD3 ARG C 14 141.451 3.017 11.498 1.00 0.86 H new ATOM 0 HE ARG C 14 139.455 2.239 9.341 1.00 1.10 H new ATOM 0 HH11 ARG C 14 140.276 2.048 12.617 1.00 1.95 H new ATOM 0 HH12 ARG C 14 139.945 0.320 12.785 1.00 1.95 H new ATOM 0 HH21 ARG C 14 139.533 -0.186 9.350 1.00 2.31 H new ATOM 0 HH22 ARG C 14 139.528 -0.934 10.950 1.00 2.31 H new ATOM 245 N ALA C 15 138.428 6.619 8.841 1.00 0.34 N ATOM 246 CA ALA C 15 137.156 7.157 9.406 1.00 0.36 C ATOM 247 C ALA C 15 136.654 6.253 10.535 1.00 0.47 C ATOM 248 O ALA C 15 137.206 5.202 10.793 1.00 0.61 O ATOM 249 CB ALA C 15 136.170 7.153 8.238 1.00 0.43 C ATOM 0 H ALA C 15 138.316 5.950 8.079 1.00 0.34 H new ATOM 0 HA ALA C 15 137.282 8.153 9.830 1.00 0.36 H new ATOM 0 HB1 ALA C 15 135.207 7.536 8.574 1.00 0.43 H new ATOM 0 HB2 ALA C 15 136.553 7.785 7.437 1.00 0.43 H new ATOM 0 HB3 ALA C 15 136.047 6.135 7.869 1.00 0.43 H new ATOM 255 N LEU C 16 135.611 6.654 11.210 1.00 0.50 N ATOM 256 CA LEU C 16 135.075 5.817 12.322 1.00 0.63 C ATOM 257 C LEU C 16 134.071 4.796 11.780 1.00 0.80 C ATOM 258 O LEU C 16 134.146 3.620 12.077 1.00 1.03 O ATOM 259 CB LEU C 16 134.380 6.802 13.262 1.00 0.67 C ATOM 260 CG LEU C 16 135.172 6.912 14.565 1.00 0.72 C ATOM 261 CD1 LEU C 16 134.927 8.284 15.197 1.00 0.82 C ATOM 262 CD2 LEU C 16 134.714 5.818 15.532 1.00 0.94 C ATOM 0 H LEU C 16 135.107 7.524 11.040 1.00 0.50 H new ATOM 0 HA LEU C 16 135.859 5.254 12.828 1.00 0.63 H new ATOM 0 HB2 LEU C 16 134.303 7.780 12.788 1.00 0.67 H new ATOM 0 HB3 LEU C 16 133.364 6.467 13.469 1.00 0.67 H new ATOM 0 HG LEU C 16 136.235 6.793 14.356 1.00 0.72 H new ATOM 0 HD11 LEU C 16 135.492 8.363 16.126 1.00 0.82 H new ATOM 0 HD12 LEU C 16 135.251 9.065 14.509 1.00 0.82 H new ATOM 0 HD13 LEU C 16 133.864 8.403 15.407 1.00 0.82 H new ATOM 0 HD21 LEU C 16 135.278 5.895 16.462 1.00 0.94 H new ATOM 0 HD22 LEU C 16 133.651 5.939 15.741 1.00 0.94 H new ATOM 0 HD23 LEU C 16 134.887 4.840 15.083 1.00 0.94 H new ATOM 274 N HIS C 17 133.131 5.235 10.989 1.00 0.85 N ATOM 275 CA HIS C 17 132.124 4.288 10.430 1.00 1.07 C ATOM 276 C HIS C 17 132.324 4.133 8.921 1.00 0.91 C ATOM 277 O HIS C 17 131.390 3.890 8.183 1.00 1.09 O ATOM 278 CB HIS C 17 130.769 4.929 10.729 1.00 1.42 C ATOM 279 CG HIS C 17 130.646 5.182 12.206 1.00 2.06 C ATOM 280 ND1 HIS C 17 129.679 6.022 12.735 1.00 2.77 N ATOM 281 CD2 HIS C 17 131.362 4.711 13.280 1.00 2.85 C ATOM 282 CE1 HIS C 17 129.836 6.031 14.071 1.00 3.65 C ATOM 283 NE2 HIS C 17 130.848 5.249 14.457 1.00 3.74 N ATOM 0 H HIS C 17 133.016 6.208 10.705 1.00 0.85 H new ATOM 0 HA HIS C 17 132.208 3.292 10.864 1.00 1.07 H new ATOM 0 HB2 HIS C 17 130.669 5.865 10.180 1.00 1.42 H new ATOM 0 HB3 HIS C 17 129.964 4.275 10.393 1.00 1.42 H new ATOM 0 HD2 HIS C 17 132.196 4.028 13.220 1.00 2.85 H new ATOM 0 HE1 HIS C 17 129.219 6.601 14.749 1.00 3.65 H new ATOM 0 HE2 HIS C 17 131.174 5.082 15.409 1.00 3.74 H new ATOM 291 N SER C 18 133.536 4.270 8.457 1.00 0.98 N ATOM 292 CA SER C 18 133.796 4.129 6.995 1.00 1.28 C ATOM 293 C SER C 18 134.399 2.753 6.699 1.00 1.60 C ATOM 294 O SER C 18 134.352 2.271 5.584 1.00 2.40 O ATOM 295 CB SER C 18 134.795 5.235 6.662 1.00 1.26 C ATOM 296 OG SER C 18 135.071 5.214 5.268 1.00 1.86 O ATOM 0 H SER C 18 134.358 4.473 9.026 1.00 0.98 H new ATOM 0 HA SER C 18 132.885 4.212 6.402 1.00 1.28 H new ATOM 0 HB2 SER C 18 134.390 6.205 6.950 1.00 1.26 H new ATOM 0 HB3 SER C 18 135.715 5.093 7.229 1.00 1.26 H new ATOM 0 HG SER C 18 135.711 5.924 5.050 1.00 1.86 H new ATOM 302 N ALA C 19 134.964 2.119 7.689 1.00 1.46 N ATOM 303 CA ALA C 19 135.570 0.775 7.465 1.00 1.88 C ATOM 304 C ALA C 19 136.765 0.884 6.514 1.00 1.23 C ATOM 305 O ALA C 19 137.252 -0.102 5.998 1.00 1.16 O ATOM 306 CB ALA C 19 134.456 -0.061 6.833 1.00 2.68 C ATOM 0 H ALA C 19 135.033 2.473 8.643 1.00 1.46 H new ATOM 0 HA ALA C 19 135.940 0.330 8.389 1.00 1.88 H new ATOM 0 HB1 ALA C 19 134.824 -1.068 6.637 1.00 2.68 H new ATOM 0 HB2 ALA C 19 133.607 -0.111 7.515 1.00 2.68 H new ATOM 0 HB3 ALA C 19 134.142 0.400 5.896 1.00 2.68 H new ATOM 312 N CYS C 20 137.240 2.077 6.278 1.00 0.98 N ATOM 313 CA CYS C 20 138.403 2.248 5.361 1.00 0.56 C ATOM 314 C CYS C 20 139.183 3.514 5.726 1.00 0.47 C ATOM 315 O CYS C 20 138.812 4.247 6.622 1.00 0.53 O ATOM 316 CB CYS C 20 137.792 2.381 3.966 1.00 0.91 C ATOM 317 SG CYS C 20 137.280 0.749 3.374 1.00 2.14 S ATOM 0 H CYS C 20 136.873 2.940 6.680 1.00 0.98 H new ATOM 0 HA CYS C 20 139.102 1.414 5.423 1.00 0.56 H new ATOM 0 HB2 CYS C 20 136.935 3.054 3.995 1.00 0.91 H new ATOM 0 HB3 CYS C 20 138.517 2.818 3.280 1.00 0.91 H new ATOM 0 HG CYS C 20 138.067 0.370 2.411 1.00 2.14 H new ATOM 323 N LYS C 21 140.260 3.776 5.039 1.00 0.41 N ATOM 324 CA LYS C 21 141.062 4.995 5.347 1.00 0.36 C ATOM 325 C LYS C 21 141.659 5.573 4.061 1.00 0.36 C ATOM 326 O LYS C 21 141.486 5.032 2.987 1.00 0.43 O ATOM 327 CB LYS C 21 142.170 4.514 6.284 1.00 0.37 C ATOM 328 CG LYS C 21 143.151 3.634 5.507 1.00 0.40 C ATOM 329 CD LYS C 21 143.135 2.218 6.084 1.00 0.52 C ATOM 330 CE LYS C 21 144.285 2.060 7.082 1.00 0.59 C ATOM 331 NZ LYS C 21 144.181 0.656 7.568 1.00 1.14 N ATOM 0 H LYS C 21 140.620 3.200 4.278 1.00 0.41 H new ATOM 0 HA LYS C 21 140.460 5.783 5.800 1.00 0.36 H new ATOM 0 HB2 LYS C 21 142.693 5.368 6.714 1.00 0.37 H new ATOM 0 HB3 LYS C 21 141.741 3.953 7.114 1.00 0.37 H new ATOM 0 HG2 LYS C 21 142.878 3.611 4.452 1.00 0.40 H new ATOM 0 HG3 LYS C 21 144.156 4.051 5.567 1.00 0.40 H new ATOM 0 HD2 LYS C 21 142.182 2.026 6.577 1.00 0.52 H new ATOM 0 HD3 LYS C 21 143.232 1.486 5.282 1.00 0.52 H new ATOM 0 HE2 LYS C 21 145.249 2.243 6.607 1.00 0.59 H new ATOM 0 HE3 LYS C 21 144.195 2.770 7.904 1.00 0.59 H new ATOM 0 HZ1 LYS C 21 144.937 0.470 8.257 1.00 1.14 H new ATOM 0 HZ2 LYS C 21 143.256 0.513 8.022 1.00 1.14 H new ATOM 0 HZ3 LYS C 21 144.277 0.003 6.765 1.00 1.14 H new ATOM 345 N PHE C 22 142.360 6.669 4.161 1.00 0.34 N ATOM 346 CA PHE C 22 142.967 7.279 2.944 1.00 0.36 C ATOM 347 C PHE C 22 144.471 7.481 3.147 1.00 0.34 C ATOM 348 O PHE C 22 144.904 8.454 3.731 1.00 0.35 O ATOM 349 CB PHE C 22 142.262 8.626 2.783 1.00 0.39 C ATOM 350 CG PHE C 22 140.952 8.426 2.060 1.00 0.54 C ATOM 351 CD1 PHE C 22 139.848 7.902 2.743 1.00 1.33 C ATOM 352 CD2 PHE C 22 140.842 8.763 0.706 1.00 1.34 C ATOM 353 CE1 PHE C 22 138.634 7.715 2.072 1.00 1.47 C ATOM 354 CE2 PHE C 22 139.627 8.577 0.034 1.00 1.51 C ATOM 355 CZ PHE C 22 138.523 8.053 0.717 1.00 1.09 C ATOM 0 H PHE C 22 142.539 7.168 5.032 1.00 0.34 H new ATOM 0 HA PHE C 22 142.848 6.649 2.063 1.00 0.36 H new ATOM 0 HB2 PHE C 22 142.085 9.075 3.760 1.00 0.39 H new ATOM 0 HB3 PHE C 22 142.896 9.316 2.225 1.00 0.39 H new ATOM 0 HD1 PHE C 22 139.933 7.642 3.788 1.00 1.33 H new ATOM 0 HD2 PHE C 22 141.694 9.167 0.179 1.00 1.34 H new ATOM 0 HE1 PHE C 22 137.783 7.310 2.599 1.00 1.47 H new ATOM 0 HE2 PHE C 22 139.542 8.838 -1.011 1.00 1.51 H new ATOM 0 HZ PHE C 22 137.586 7.909 0.199 1.00 1.09 H new ATOM 365 N GLY C 23 145.272 6.568 2.668 1.00 0.35 N ATOM 366 CA GLY C 23 146.746 6.709 2.833 1.00 0.36 C ATOM 367 C GLY C 23 147.261 7.806 1.900 1.00 0.37 C ATOM 368 O GLY C 23 147.185 7.692 0.692 1.00 0.40 O ATOM 0 H GLY C 23 144.969 5.731 2.170 1.00 0.35 H new ATOM 0 HA2 GLY C 23 146.985 6.955 3.868 1.00 0.36 H new ATOM 0 HA3 GLY C 23 147.240 5.764 2.608 1.00 0.36 H new ATOM 372 N VAL C 24 147.783 8.869 2.448 1.00 0.37 N ATOM 373 CA VAL C 24 148.302 9.972 1.589 1.00 0.39 C ATOM 374 C VAL C 24 149.488 10.660 2.269 1.00 0.41 C ATOM 375 O VAL C 24 149.576 10.713 3.480 1.00 0.42 O ATOM 376 CB VAL C 24 147.130 10.943 1.442 1.00 0.39 C ATOM 377 CG1 VAL C 24 147.570 12.153 0.616 1.00 0.46 C ATOM 378 CG2 VAL C 24 145.971 10.238 0.733 1.00 0.39 C ATOM 0 H VAL C 24 147.873 9.022 3.452 1.00 0.37 H new ATOM 0 HA VAL C 24 148.657 9.612 0.623 1.00 0.39 H new ATOM 0 HB VAL C 24 146.807 11.274 2.429 1.00 0.39 H new ATOM 0 HG11 VAL C 24 146.735 12.845 0.511 1.00 0.46 H new ATOM 0 HG12 VAL C 24 148.397 12.655 1.118 1.00 0.46 H new ATOM 0 HG13 VAL C 24 147.893 11.822 -0.371 1.00 0.46 H new ATOM 0 HG21 VAL C 24 145.135 10.929 0.628 1.00 0.39 H new ATOM 0 HG22 VAL C 24 146.295 9.907 -0.254 1.00 0.39 H new ATOM 0 HG23 VAL C 24 145.657 9.375 1.320 1.00 0.39 H new ATOM 388 N ALA C 25 150.400 11.189 1.500 1.00 0.43 N ATOM 389 CA ALA C 25 151.579 11.874 2.105 1.00 0.46 C ATOM 390 C ALA C 25 151.768 13.256 1.475 1.00 0.51 C ATOM 391 O ALA C 25 151.100 13.612 0.524 1.00 0.52 O ATOM 392 CB ALA C 25 152.770 10.971 1.784 1.00 0.51 C ATOM 0 H ALA C 25 150.380 11.177 0.480 1.00 0.43 H new ATOM 0 HA ALA C 25 151.462 12.027 3.178 1.00 0.46 H new ATOM 0 HB1 ALA C 25 153.679 11.408 2.197 1.00 0.51 H new ATOM 0 HB2 ALA C 25 152.609 9.986 2.223 1.00 0.51 H new ATOM 0 HB3 ALA C 25 152.872 10.874 0.703 1.00 0.51 H new ATOM 398 N ALA C 26 152.672 14.039 1.998 1.00 0.57 N ATOM 399 CA ALA C 26 152.901 15.398 1.427 1.00 0.63 C ATOM 400 C ALA C 26 154.033 16.104 2.176 1.00 0.60 C ATOM 401 O ALA C 26 154.353 15.767 3.299 1.00 0.59 O ATOM 402 CB ALA C 26 151.580 16.139 1.631 1.00 0.61 C ATOM 0 H ALA C 26 153.261 13.797 2.795 1.00 0.57 H new ATOM 0 HA ALA C 26 153.191 15.361 0.377 1.00 0.63 H new ATOM 0 HB1 ALA C 26 151.666 17.151 1.236 1.00 0.61 H new ATOM 0 HB2 ALA C 26 150.782 15.612 1.108 1.00 0.61 H new ATOM 0 HB3 ALA C 26 151.348 16.183 2.695 1.00 0.61 H new ATOM 408 N ARG C 27 154.639 17.084 1.564 1.00 0.67 N ATOM 409 CA ARG C 27 155.748 17.814 2.242 1.00 0.67 C ATOM 410 C ARG C 27 155.187 18.985 3.052 1.00 0.60 C ATOM 411 O ARG C 27 155.858 19.971 3.283 1.00 0.72 O ATOM 412 CB ARG C 27 156.640 18.323 1.109 1.00 0.77 C ATOM 413 CG ARG C 27 157.881 17.436 0.999 1.00 1.13 C ATOM 414 CD ARG C 27 159.043 18.251 0.426 1.00 1.45 C ATOM 415 NE ARG C 27 158.998 18.003 -1.042 1.00 1.83 N ATOM 416 CZ ARG C 27 159.857 18.592 -1.829 1.00 2.41 C ATOM 417 NH1 ARG C 27 160.157 19.848 -1.644 1.00 2.81 N ATOM 418 NH2 ARG C 27 160.415 17.924 -2.802 1.00 3.15 N ATOM 0 H ARG C 27 154.415 17.411 0.624 1.00 0.67 H new ATOM 0 HA ARG C 27 156.298 17.179 2.937 1.00 0.67 H new ATOM 0 HB2 ARG C 27 156.090 18.316 0.168 1.00 0.77 H new ATOM 0 HB3 ARG C 27 156.934 19.355 1.299 1.00 0.77 H new ATOM 0 HG2 ARG C 27 158.148 17.043 1.980 1.00 1.13 H new ATOM 0 HG3 ARG C 27 157.673 16.579 0.358 1.00 1.13 H new ATOM 0 HD2 ARG C 27 158.931 19.312 0.651 1.00 1.45 H new ATOM 0 HD3 ARG C 27 159.995 17.934 0.851 1.00 1.45 H new ATOM 0 HE ARG C 27 158.297 17.373 -1.432 1.00 1.83 H new ATOM 0 HH11 ARG C 27 159.720 20.370 -0.884 1.00 2.81 H new ATOM 0 HH12 ARG C 27 160.828 20.308 -2.259 1.00 2.81 H new ATOM 0 HH21 ARG C 27 160.180 16.942 -2.947 1.00 3.15 H new ATOM 0 HH22 ARG C 27 161.086 18.384 -3.417 1.00 3.15 H new ATOM 432 N SER C 28 153.960 18.884 3.484 1.00 0.54 N ATOM 433 CA SER C 28 153.356 19.992 4.278 1.00 0.52 C ATOM 434 C SER C 28 152.226 19.458 5.162 1.00 0.50 C ATOM 435 O SER C 28 151.160 19.120 4.687 1.00 0.51 O ATOM 436 CB SER C 28 152.808 20.969 3.239 1.00 0.55 C ATOM 437 OG SER C 28 153.824 21.899 2.888 1.00 1.37 O ATOM 0 H SER C 28 153.350 18.083 3.322 1.00 0.54 H new ATOM 0 HA SER C 28 154.079 20.465 4.942 1.00 0.52 H new ATOM 0 HB2 SER C 28 152.473 20.427 2.354 1.00 0.55 H new ATOM 0 HB3 SER C 28 151.940 21.494 3.639 1.00 0.55 H new ATOM 0 HG SER C 28 154.702 21.473 2.976 1.00 1.37 H new ATOM 443 N CYS C 29 152.449 19.380 6.446 1.00 0.54 N ATOM 444 CA CYS C 29 151.386 18.869 7.358 1.00 0.56 C ATOM 445 C CYS C 29 150.045 19.530 7.027 1.00 0.50 C ATOM 446 O CYS C 29 149.009 18.894 7.039 1.00 0.60 O ATOM 447 CB CYS C 29 151.846 19.261 8.763 1.00 0.66 C ATOM 448 SG CYS C 29 152.329 21.005 8.775 1.00 1.77 S ATOM 0 H CYS C 29 153.321 19.648 6.903 1.00 0.54 H new ATOM 0 HA CYS C 29 151.242 17.793 7.263 1.00 0.56 H new ATOM 0 HB2 CYS C 29 151.044 19.090 9.481 1.00 0.66 H new ATOM 0 HB3 CYS C 29 152.686 18.638 9.069 1.00 0.66 H new ATOM 0 HG CYS C 29 152.107 21.509 9.953 1.00 1.77 H new ATOM 454 N GLN C 30 150.056 20.801 6.731 1.00 0.46 N ATOM 455 CA GLN C 30 148.781 21.500 6.399 1.00 0.49 C ATOM 456 C GLN C 30 148.183 20.922 5.113 1.00 0.51 C ATOM 457 O GLN C 30 147.014 20.594 5.053 1.00 0.54 O ATOM 458 CB GLN C 30 149.172 22.965 6.198 1.00 0.51 C ATOM 459 CG GLN C 30 148.694 23.790 7.395 1.00 1.10 C ATOM 460 CD GLN C 30 148.935 25.276 7.121 1.00 1.69 C ATOM 461 OE1 GLN C 30 148.018 26.071 7.175 1.00 2.32 O ATOM 462 NE2 GLN C 30 150.138 25.686 6.826 1.00 2.34 N ATOM 0 H GLN C 30 150.891 21.386 6.705 1.00 0.46 H new ATOM 0 HA GLN C 30 148.030 21.383 7.180 1.00 0.49 H new ATOM 0 HB2 GLN C 30 150.253 23.052 6.091 1.00 0.51 H new ATOM 0 HB3 GLN C 30 148.729 23.348 5.279 1.00 0.51 H new ATOM 0 HG2 GLN C 30 147.634 23.610 7.574 1.00 1.10 H new ATOM 0 HG3 GLN C 30 149.226 23.485 8.296 1.00 1.10 H new ATOM 0 HE21 GLN C 30 150.908 25.018 6.781 1.00 2.34 H new ATOM 0 HE22 GLN C 30 150.309 26.674 6.641 1.00 2.34 H new ATOM 471 N GLU C 31 148.975 20.794 4.084 1.00 0.53 N ATOM 472 CA GLU C 31 148.452 20.236 2.804 1.00 0.58 C ATOM 473 C GLU C 31 147.661 18.952 3.071 1.00 0.53 C ATOM 474 O GLU C 31 146.578 18.760 2.554 1.00 0.58 O ATOM 475 CB GLU C 31 149.695 19.935 1.966 1.00 0.68 C ATOM 476 CG GLU C 31 149.286 19.693 0.511 1.00 0.86 C ATOM 477 CD GLU C 31 149.712 20.888 -0.344 1.00 1.34 C ATOM 478 OE1 GLU C 31 149.278 21.989 -0.047 1.00 2.13 O ATOM 479 OE2 GLU C 31 150.465 20.681 -1.282 1.00 1.79 O ATOM 0 H GLU C 31 149.962 21.052 4.074 1.00 0.53 H new ATOM 0 HA GLU C 31 147.777 20.926 2.298 1.00 0.58 H new ATOM 0 HB2 GLU C 31 150.396 20.768 2.024 1.00 0.68 H new ATOM 0 HB3 GLU C 31 150.209 19.058 2.361 1.00 0.68 H new ATOM 0 HG2 GLU C 31 149.752 18.781 0.138 1.00 0.86 H new ATOM 0 HG3 GLU C 31 148.207 19.550 0.444 1.00 0.86 H new ATOM 486 N LEU C 32 148.192 18.074 3.877 1.00 0.51 N ATOM 487 CA LEU C 32 147.470 16.804 4.178 1.00 0.47 C ATOM 488 C LEU C 32 146.135 17.107 4.865 1.00 0.40 C ATOM 489 O LEU C 32 145.112 16.543 4.532 1.00 0.44 O ATOM 490 CB LEU C 32 148.396 16.034 5.120 1.00 0.51 C ATOM 491 CG LEU C 32 149.743 15.799 4.433 1.00 0.83 C ATOM 492 CD1 LEU C 32 150.854 15.776 5.484 1.00 1.22 C ATOM 493 CD2 LEU C 32 149.711 14.458 3.697 1.00 1.16 C ATOM 0 H LEU C 32 149.094 18.180 4.340 1.00 0.51 H new ATOM 0 HA LEU C 32 147.242 16.234 3.277 1.00 0.47 H new ATOM 0 HB2 LEU C 32 148.540 16.594 6.044 1.00 0.51 H new ATOM 0 HB3 LEU C 32 147.944 15.081 5.393 1.00 0.51 H new ATOM 0 HG LEU C 32 149.933 16.602 3.720 1.00 0.83 H new ATOM 0 HD11 LEU C 32 151.814 15.609 4.995 1.00 1.22 H new ATOM 0 HD12 LEU C 32 150.876 16.730 6.011 1.00 1.22 H new ATOM 0 HD13 LEU C 32 150.665 14.973 6.196 1.00 1.22 H new ATOM 0 HD21 LEU C 32 150.670 14.289 3.207 1.00 1.16 H new ATOM 0 HD22 LEU C 32 149.522 13.656 4.410 1.00 1.16 H new ATOM 0 HD23 LEU C 32 148.919 14.473 2.949 1.00 1.16 H new ATOM 505 N LEU C 33 146.139 17.994 5.823 1.00 0.37 N ATOM 506 CA LEU C 33 144.871 18.331 6.532 1.00 0.37 C ATOM 507 C LEU C 33 143.782 18.704 5.521 1.00 0.40 C ATOM 508 O LEU C 33 142.635 18.327 5.663 1.00 0.42 O ATOM 509 CB LEU C 33 145.217 19.532 7.413 1.00 0.43 C ATOM 510 CG LEU C 33 145.284 19.091 8.876 1.00 0.46 C ATOM 511 CD1 LEU C 33 145.464 20.317 9.772 1.00 0.60 C ATOM 512 CD2 LEU C 33 143.985 18.374 9.251 1.00 0.79 C ATOM 0 H LEU C 33 146.964 18.499 6.145 1.00 0.37 H new ATOM 0 HA LEU C 33 144.489 17.493 7.116 1.00 0.37 H new ATOM 0 HB2 LEU C 33 146.173 19.958 7.107 1.00 0.43 H new ATOM 0 HB3 LEU C 33 144.467 20.313 7.292 1.00 0.43 H new ATOM 0 HG LEU C 33 146.128 18.414 9.013 1.00 0.46 H new ATOM 0 HD11 LEU C 33 145.512 20.002 10.814 1.00 0.60 H new ATOM 0 HD12 LEU C 33 146.388 20.830 9.505 1.00 0.60 H new ATOM 0 HD13 LEU C 33 144.621 20.994 9.636 1.00 0.60 H new ATOM 0 HD21 LEU C 33 144.031 18.059 10.293 1.00 0.79 H new ATOM 0 HD22 LEU C 33 143.143 19.052 9.114 1.00 0.79 H new ATOM 0 HD23 LEU C 33 143.855 17.500 8.613 1.00 0.79 H new ATOM 524 N ARG C 34 144.130 19.442 4.503 1.00 0.46 N ATOM 525 CA ARG C 34 143.114 19.839 3.487 1.00 0.53 C ATOM 526 C ARG C 34 142.618 18.607 2.724 1.00 0.52 C ATOM 527 O ARG C 34 141.462 18.241 2.802 1.00 0.53 O ATOM 528 CB ARG C 34 143.848 20.793 2.544 1.00 0.62 C ATOM 529 CG ARG C 34 143.287 22.207 2.707 1.00 0.91 C ATOM 530 CD ARG C 34 142.662 22.665 1.387 1.00 1.64 C ATOM 531 NE ARG C 34 141.722 23.756 1.766 1.00 1.93 N ATOM 532 CZ ARG C 34 141.177 24.499 0.841 1.00 2.25 C ATOM 533 NH1 ARG C 34 141.901 24.942 -0.150 1.00 2.82 N ATOM 534 NH2 ARG C 34 139.909 24.800 0.908 1.00 2.69 N ATOM 0 H ARG C 34 145.074 19.787 4.331 1.00 0.46 H new ATOM 0 HA ARG C 34 142.239 20.306 3.940 1.00 0.53 H new ATOM 0 HB2 ARG C 34 144.916 20.787 2.763 1.00 0.62 H new ATOM 0 HB3 ARG C 34 143.732 20.461 1.512 1.00 0.62 H new ATOM 0 HG2 ARG C 34 142.540 22.224 3.500 1.00 0.91 H new ATOM 0 HG3 ARG C 34 144.081 22.893 3.003 1.00 0.91 H new ATOM 0 HD2 ARG C 34 143.423 23.022 0.693 1.00 1.64 H new ATOM 0 HD3 ARG C 34 142.139 21.847 0.893 1.00 1.64 H new ATOM 0 HE ARG C 34 141.504 23.923 2.748 1.00 1.93 H new ATOM 0 HH11 ARG C 34 142.892 24.708 -0.202 1.00 2.82 H new ATOM 0 HH12 ARG C 34 141.476 25.522 -0.873 1.00 2.82 H new ATOM 0 HH21 ARG C 34 139.343 24.455 1.683 1.00 2.69 H new ATOM 0 HH22 ARG C 34 139.484 25.381 0.185 1.00 2.69 H new ATOM 548 N LYS C 35 143.484 17.967 1.987 1.00 0.54 N ATOM 549 CA LYS C 35 143.062 16.760 1.218 1.00 0.57 C ATOM 550 C LYS C 35 142.155 15.874 2.076 1.00 0.50 C ATOM 551 O LYS C 35 141.143 15.379 1.620 1.00 0.61 O ATOM 552 CB LYS C 35 144.364 16.029 0.885 1.00 0.61 C ATOM 553 CG LYS C 35 144.615 16.095 -0.623 1.00 0.88 C ATOM 554 CD LYS C 35 146.118 16.003 -0.893 1.00 1.11 C ATOM 555 CE LYS C 35 146.570 17.230 -1.689 1.00 1.69 C ATOM 556 NZ LYS C 35 147.603 16.716 -2.632 1.00 2.32 N ATOM 0 H LYS C 35 144.465 18.227 1.884 1.00 0.54 H new ATOM 0 HA LYS C 35 142.497 17.018 0.322 1.00 0.57 H new ATOM 0 HB2 LYS C 35 145.196 16.483 1.423 1.00 0.61 H new ATOM 0 HB3 LYS C 35 144.303 14.990 1.209 1.00 0.61 H new ATOM 0 HG2 LYS C 35 144.094 15.280 -1.125 1.00 0.88 H new ATOM 0 HG3 LYS C 35 144.218 17.026 -1.028 1.00 0.88 H new ATOM 0 HD2 LYS C 35 146.664 15.946 0.048 1.00 1.11 H new ATOM 0 HD3 LYS C 35 146.343 15.093 -1.449 1.00 1.11 H new ATOM 0 HE2 LYS C 35 145.736 17.682 -2.225 1.00 1.69 H new ATOM 0 HE3 LYS C 35 146.981 17.997 -1.033 1.00 1.69 H new ATOM 0 HZ1 LYS C 35 147.962 17.499 -3.214 1.00 2.32 H new ATOM 0 HZ2 LYS C 35 148.388 16.297 -2.093 1.00 2.32 H new ATOM 0 HZ3 LYS C 35 147.181 15.992 -3.248 1.00 2.32 H new ATOM 570 N GLY C 36 142.509 15.670 3.315 1.00 0.40 N ATOM 571 CA GLY C 36 141.667 14.816 4.200 1.00 0.38 C ATOM 572 C GLY C 36 140.286 15.453 4.364 1.00 0.38 C ATOM 573 O GLY C 36 139.271 14.797 4.241 1.00 0.47 O ATOM 0 H GLY C 36 143.345 16.058 3.753 1.00 0.40 H new ATOM 0 HA2 GLY C 36 141.570 13.818 3.774 1.00 0.38 H new ATOM 0 HA3 GLY C 36 142.144 14.702 5.173 1.00 0.38 H new ATOM 577 N CYS C 37 140.239 16.727 4.642 1.00 0.44 N ATOM 578 CA CYS C 37 138.921 17.405 4.814 1.00 0.49 C ATOM 579 C CYS C 37 138.165 17.440 3.483 1.00 0.53 C ATOM 580 O CYS C 37 136.963 17.612 3.446 1.00 0.57 O ATOM 581 CB CYS C 37 139.262 18.823 5.275 1.00 0.57 C ATOM 582 SG CYS C 37 137.784 19.863 5.176 1.00 1.71 S ATOM 0 H CYS C 37 141.055 17.328 4.758 1.00 0.44 H new ATOM 0 HA CYS C 37 138.281 16.887 5.528 1.00 0.49 H new ATOM 0 HB2 CYS C 37 139.638 18.804 6.298 1.00 0.57 H new ATOM 0 HB3 CYS C 37 140.054 19.238 4.652 1.00 0.57 H new ATOM 0 HG CYS C 37 136.856 19.237 4.515 1.00 1.71 H new ATOM 588 N VAL C 38 138.859 17.278 2.391 1.00 0.57 N ATOM 589 CA VAL C 38 138.178 17.303 1.064 1.00 0.65 C ATOM 590 C VAL C 38 137.594 15.925 0.742 1.00 0.64 C ATOM 591 O VAL C 38 136.561 15.810 0.114 1.00 0.72 O ATOM 592 CB VAL C 38 139.273 17.669 0.064 1.00 0.72 C ATOM 593 CG1 VAL C 38 138.724 17.557 -1.359 1.00 0.88 C ATOM 594 CG2 VAL C 38 139.737 19.104 0.320 1.00 0.74 C ATOM 0 H VAL C 38 139.868 17.129 2.359 1.00 0.57 H new ATOM 0 HA VAL C 38 137.350 18.011 1.038 1.00 0.65 H new ATOM 0 HB VAL C 38 140.115 16.987 0.182 1.00 0.72 H new ATOM 0 HG11 VAL C 38 139.506 17.818 -2.072 1.00 0.88 H new ATOM 0 HG12 VAL C 38 138.393 16.535 -1.542 1.00 0.88 H new ATOM 0 HG13 VAL C 38 137.881 18.238 -1.479 1.00 0.88 H new ATOM 0 HG21 VAL C 38 140.519 19.366 -0.393 1.00 0.74 H new ATOM 0 HG22 VAL C 38 138.894 19.785 0.202 1.00 0.74 H new ATOM 0 HG23 VAL C 38 140.129 19.184 1.334 1.00 0.74 H new ATOM 604 N ARG C 39 138.248 14.879 1.168 1.00 0.59 N ATOM 605 CA ARG C 39 137.729 13.510 0.885 1.00 0.61 C ATOM 606 C ARG C 39 136.795 13.055 2.009 1.00 0.60 C ATOM 607 O ARG C 39 135.955 12.197 1.823 1.00 0.79 O ATOM 608 CB ARG C 39 138.971 12.620 0.828 1.00 0.67 C ATOM 609 CG ARG C 39 139.669 12.804 -0.521 1.00 0.99 C ATOM 610 CD ARG C 39 139.423 11.573 -1.395 1.00 1.39 C ATOM 611 NE ARG C 39 140.056 11.899 -2.703 1.00 1.77 N ATOM 612 CZ ARG C 39 139.334 12.390 -3.673 1.00 2.48 C ATOM 613 NH1 ARG C 39 138.491 11.626 -4.311 1.00 3.14 N ATOM 614 NH2 ARG C 39 139.455 13.647 -4.003 1.00 3.05 N ATOM 0 H ARG C 39 139.118 14.913 1.699 1.00 0.59 H new ATOM 0 HA ARG C 39 137.155 13.470 -0.041 1.00 0.61 H new ATOM 0 HB2 ARG C 39 139.652 12.875 1.640 1.00 0.67 H new ATOM 0 HB3 ARG C 39 138.690 11.576 0.965 1.00 0.67 H new ATOM 0 HG2 ARG C 39 139.292 13.698 -1.019 1.00 0.99 H new ATOM 0 HG3 ARG C 39 140.739 12.949 -0.372 1.00 0.99 H new ATOM 0 HD2 ARG C 39 139.866 10.680 -0.953 1.00 1.39 H new ATOM 0 HD3 ARG C 39 138.357 11.377 -1.510 1.00 1.39 H new ATOM 0 HE ARG C 39 141.054 11.739 -2.841 1.00 1.77 H new ATOM 0 HH11 ARG C 39 138.396 10.644 -4.052 1.00 3.14 H new ATOM 0 HH12 ARG C 39 137.927 12.011 -5.069 1.00 3.14 H new ATOM 0 HH21 ARG C 39 140.113 14.244 -3.503 1.00 3.05 H new ATOM 0 HH22 ARG C 39 138.891 14.032 -4.761 1.00 3.05 H new ATOM 628 N PHE C 40 136.935 13.623 3.176 1.00 0.49 N ATOM 629 CA PHE C 40 136.055 13.221 4.311 1.00 0.51 C ATOM 630 C PHE C 40 135.122 14.374 4.692 1.00 0.52 C ATOM 631 O PHE C 40 134.304 14.254 5.582 1.00 0.59 O ATOM 632 CB PHE C 40 137.012 12.903 5.460 1.00 0.57 C ATOM 633 CG PHE C 40 137.323 11.426 5.463 1.00 0.52 C ATOM 634 CD1 PHE C 40 136.289 10.492 5.323 1.00 1.24 C ATOM 635 CD2 PHE C 40 138.646 10.989 5.606 1.00 1.34 C ATOM 636 CE1 PHE C 40 136.577 9.122 5.326 1.00 1.30 C ATOM 637 CE2 PHE C 40 138.934 9.619 5.609 1.00 1.35 C ATOM 638 CZ PHE C 40 137.900 8.686 5.469 1.00 0.68 C ATOM 0 H PHE C 40 137.620 14.347 3.393 1.00 0.49 H new ATOM 0 HA PHE C 40 135.421 12.370 4.061 1.00 0.51 H new ATOM 0 HB2 PHE C 40 137.931 13.479 5.351 1.00 0.57 H new ATOM 0 HB3 PHE C 40 136.565 13.193 6.411 1.00 0.57 H new ATOM 0 HD1 PHE C 40 135.269 10.829 5.213 1.00 1.24 H new ATOM 0 HD2 PHE C 40 139.444 11.709 5.714 1.00 1.34 H new ATOM 0 HE1 PHE C 40 135.779 8.402 5.218 1.00 1.30 H new ATOM 0 HE2 PHE C 40 139.954 9.282 5.719 1.00 1.35 H new ATOM 0 HZ PHE C 40 138.123 7.629 5.471 1.00 0.68 H new ATOM 648 N GLN C 41 135.239 15.490 4.026 1.00 0.50 N ATOM 649 CA GLN C 41 134.359 16.649 4.352 1.00 0.56 C ATOM 650 C GLN C 41 134.480 17.000 5.837 1.00 0.61 C ATOM 651 O GLN C 41 133.530 16.903 6.588 1.00 0.89 O ATOM 652 CB GLN C 41 132.943 16.174 4.026 1.00 0.62 C ATOM 653 CG GLN C 41 132.707 16.271 2.517 1.00 0.91 C ATOM 654 CD GLN C 41 131.209 16.413 2.242 1.00 1.59 C ATOM 655 OE1 GLN C 41 130.392 15.900 2.981 1.00 2.14 O ATOM 656 NE2 GLN C 41 130.811 17.093 1.202 1.00 2.15 N ATOM 0 H GLN C 41 135.905 15.650 3.271 1.00 0.50 H new ATOM 0 HA GLN C 41 134.627 17.544 3.791 1.00 0.56 H new ATOM 0 HB2 GLN C 41 132.807 15.146 4.361 1.00 0.62 H new ATOM 0 HB3 GLN C 41 132.212 16.782 4.559 1.00 0.62 H new ATOM 0 HG2 GLN C 41 133.245 17.126 2.108 1.00 0.91 H new ATOM 0 HG3 GLN C 41 133.096 15.383 2.020 1.00 0.91 H new ATOM 0 HE21 GLN C 41 131.496 17.524 0.582 1.00 2.15 H new ATOM 0 HE22 GLN C 41 129.814 17.194 1.010 1.00 2.15 H new ATOM 665 N LEU C 42 135.643 17.407 6.266 1.00 0.62 N ATOM 666 CA LEU C 42 135.827 17.763 7.702 1.00 0.69 C ATOM 667 C LEU C 42 136.751 18.983 7.831 1.00 0.69 C ATOM 668 O LEU C 42 137.956 18.851 7.751 1.00 0.72 O ATOM 669 CB LEU C 42 136.478 16.532 8.333 1.00 0.73 C ATOM 670 CG LEU C 42 135.764 16.191 9.641 1.00 0.85 C ATOM 671 CD1 LEU C 42 135.279 14.741 9.594 1.00 0.75 C ATOM 672 CD2 LEU C 42 136.734 16.365 10.811 1.00 1.23 C ATOM 0 H LEU C 42 136.475 17.509 5.684 1.00 0.62 H new ATOM 0 HA LEU C 42 134.886 18.023 8.187 1.00 0.69 H new ATOM 0 HB2 LEU C 42 136.425 15.687 7.646 1.00 0.73 H new ATOM 0 HB3 LEU C 42 137.534 16.723 8.522 1.00 0.73 H new ATOM 0 HG LEU C 42 134.911 16.856 9.773 1.00 0.85 H new ATOM 0 HD11 LEU C 42 134.770 14.497 10.526 1.00 0.75 H new ATOM 0 HD12 LEU C 42 134.589 14.615 8.760 1.00 0.75 H new ATOM 0 HD13 LEU C 42 136.132 14.076 9.462 1.00 0.75 H new ATOM 0 HD21 LEU C 42 136.226 16.122 11.744 1.00 1.23 H new ATOM 0 HD22 LEU C 42 137.587 15.700 10.678 1.00 1.23 H new ATOM 0 HD23 LEU C 42 137.081 17.398 10.845 1.00 1.23 H new ATOM 684 N PRO C 43 136.159 20.137 8.026 1.00 0.69 N ATOM 685 CA PRO C 43 136.948 21.383 8.165 1.00 0.73 C ATOM 686 C PRO C 43 137.902 21.284 9.359 1.00 0.68 C ATOM 687 O PRO C 43 137.708 20.491 10.258 1.00 0.83 O ATOM 688 CB PRO C 43 135.868 22.442 8.405 1.00 0.77 C ATOM 689 CG PRO C 43 134.489 21.756 8.393 1.00 0.77 C ATOM 690 CD PRO C 43 134.685 20.258 8.120 1.00 0.71 C ATOM 0 HA PRO C 43 137.577 21.602 7.303 1.00 0.73 H new ATOM 0 HB2 PRO C 43 136.033 22.940 9.360 1.00 0.77 H new ATOM 0 HB3 PRO C 43 135.914 23.210 7.633 1.00 0.77 H new ATOM 0 HG2 PRO C 43 133.986 21.903 9.349 1.00 0.77 H new ATOM 0 HG3 PRO C 43 133.853 22.199 7.627 1.00 0.77 H new ATOM 0 HD2 PRO C 43 134.278 19.643 8.923 1.00 0.71 H new ATOM 0 HD3 PRO C 43 134.193 19.946 7.199 1.00 0.71 H new ATOM 698 N MET C 44 138.934 22.082 9.373 1.00 0.63 N ATOM 699 CA MET C 44 139.899 22.032 10.507 1.00 0.61 C ATOM 700 C MET C 44 139.291 22.664 11.768 1.00 0.59 C ATOM 701 O MET C 44 139.317 22.065 12.825 1.00 0.59 O ATOM 702 CB MET C 44 141.114 22.829 10.034 1.00 0.66 C ATOM 703 CG MET C 44 142.347 21.924 10.022 1.00 0.68 C ATOM 704 SD MET C 44 143.772 22.855 9.407 1.00 1.58 S ATOM 705 CE MET C 44 143.288 22.886 7.663 1.00 2.11 C ATOM 0 H MET C 44 139.151 22.766 8.648 1.00 0.63 H new ATOM 0 HA MET C 44 140.162 21.008 10.772 1.00 0.61 H new ATOM 0 HB2 MET C 44 140.934 23.228 9.036 1.00 0.66 H new ATOM 0 HB3 MET C 44 141.282 23.681 10.693 1.00 0.66 H new ATOM 0 HG2 MET C 44 142.548 21.552 11.027 1.00 0.68 H new ATOM 0 HG3 MET C 44 142.167 21.054 9.390 1.00 0.68 H new ATOM 0 HE1 MET C 44 144.176 23.001 7.041 1.00 2.11 H new ATOM 0 HE2 MET C 44 142.785 21.953 7.408 1.00 2.11 H new ATOM 0 HE3 MET C 44 142.611 23.722 7.488 1.00 2.11 H new ATOM 715 N PRO C 45 138.765 23.859 11.628 1.00 0.62 N ATOM 716 CA PRO C 45 138.158 24.560 12.786 1.00 0.65 C ATOM 717 C PRO C 45 136.937 23.794 13.306 1.00 0.64 C ATOM 718 O PRO C 45 136.902 23.362 14.442 1.00 0.69 O ATOM 719 CB PRO C 45 137.748 25.909 12.188 1.00 0.70 C ATOM 720 CG PRO C 45 138.138 25.930 10.697 1.00 0.70 C ATOM 721 CD PRO C 45 138.746 24.571 10.326 1.00 0.65 C ATOM 0 HA PRO C 45 138.830 24.654 13.639 1.00 0.65 H new ATOM 0 HB2 PRO C 45 136.674 26.061 12.300 1.00 0.70 H new ATOM 0 HB3 PRO C 45 138.242 26.723 12.719 1.00 0.70 H new ATOM 0 HG2 PRO C 45 137.262 26.133 10.081 1.00 0.70 H new ATOM 0 HG3 PRO C 45 138.854 26.729 10.505 1.00 0.70 H new ATOM 0 HD2 PRO C 45 138.143 24.046 9.585 1.00 0.65 H new ATOM 0 HD3 PRO C 45 139.747 24.675 9.906 1.00 0.65 H new ATOM 729 N GLY C 46 135.934 23.628 12.488 1.00 0.66 N ATOM 730 CA GLY C 46 134.716 22.896 12.941 1.00 0.69 C ATOM 731 C GLY C 46 134.897 21.395 12.709 1.00 0.64 C ATOM 732 O GLY C 46 133.979 20.704 12.313 1.00 0.72 O ATOM 0 H GLY C 46 135.905 23.967 11.526 1.00 0.66 H new ATOM 0 HA2 GLY C 46 134.536 23.091 13.998 1.00 0.69 H new ATOM 0 HA3 GLY C 46 133.842 23.254 12.397 1.00 0.69 H new ATOM 736 N SER C 47 136.072 20.883 12.955 1.00 0.58 N ATOM 737 CA SER C 47 136.309 19.423 12.750 1.00 0.54 C ATOM 738 C SER C 47 137.803 19.110 12.872 1.00 0.48 C ATOM 739 O SER C 47 138.635 19.765 12.276 1.00 0.51 O ATOM 740 CB SER C 47 135.813 19.132 11.334 1.00 0.58 C ATOM 741 OG SER C 47 134.724 18.221 11.396 1.00 1.25 O ATOM 0 H SER C 47 136.878 21.411 13.289 1.00 0.58 H new ATOM 0 HA SER C 47 135.794 18.813 13.492 1.00 0.54 H new ATOM 0 HB2 SER C 47 135.501 20.057 10.848 1.00 0.58 H new ATOM 0 HB3 SER C 47 136.620 18.712 10.733 1.00 0.58 H new ATOM 0 HG SER C 47 133.940 18.673 11.772 1.00 1.25 H new ATOM 747 N ARG C 48 138.149 18.114 13.640 1.00 0.45 N ATOM 748 CA ARG C 48 139.588 17.761 13.800 1.00 0.46 C ATOM 749 C ARG C 48 139.777 16.246 13.687 1.00 0.39 C ATOM 750 O ARG C 48 138.915 15.537 13.208 1.00 0.40 O ATOM 751 CB ARG C 48 139.962 18.246 15.201 1.00 0.56 C ATOM 752 CG ARG C 48 140.608 19.630 15.107 1.00 0.72 C ATOM 753 CD ARG C 48 140.531 20.324 16.469 1.00 0.86 C ATOM 754 NE ARG C 48 139.684 21.527 16.240 1.00 1.56 N ATOM 755 CZ ARG C 48 139.398 22.323 17.234 1.00 1.89 C ATOM 756 NH1 ARG C 48 138.609 21.915 18.190 1.00 2.49 N ATOM 757 NH2 ARG C 48 139.899 23.527 17.271 1.00 2.24 N ATOM 0 H ARG C 48 137.498 17.529 14.164 1.00 0.45 H new ATOM 0 HA ARG C 48 140.213 18.216 13.032 1.00 0.46 H new ATOM 0 HB2 ARG C 48 139.074 18.290 15.831 1.00 0.56 H new ATOM 0 HB3 ARG C 48 140.651 17.543 15.669 1.00 0.56 H new ATOM 0 HG2 ARG C 48 141.648 19.537 14.793 1.00 0.72 H new ATOM 0 HG3 ARG C 48 140.099 20.230 14.352 1.00 0.72 H new ATOM 0 HD2 ARG C 48 140.092 19.669 17.222 1.00 0.86 H new ATOM 0 HD3 ARG C 48 141.522 20.601 16.827 1.00 0.86 H new ATOM 0 HE ARG C 48 139.327 21.729 15.306 1.00 1.56 H new ATOM 0 HH11 ARG C 48 138.216 20.974 18.160 1.00 2.49 H new ATOM 0 HH12 ARG C 48 138.385 22.537 18.967 1.00 2.49 H new ATOM 0 HH21 ARG C 48 140.514 23.847 16.523 1.00 2.24 H new ATOM 0 HH22 ARG C 48 139.675 24.149 18.048 1.00 2.24 H new ATOM 771 N LEU C 49 140.900 15.744 14.124 1.00 0.39 N ATOM 772 CA LEU C 49 141.142 14.275 14.040 1.00 0.38 C ATOM 773 C LEU C 49 141.680 13.750 15.374 1.00 0.43 C ATOM 774 O LEU C 49 141.943 14.504 16.289 1.00 0.64 O ATOM 775 CB LEU C 49 142.188 14.109 12.938 1.00 0.37 C ATOM 776 CG LEU C 49 141.624 14.633 11.616 1.00 0.36 C ATOM 777 CD1 LEU C 49 142.344 15.926 11.230 1.00 0.44 C ATOM 778 CD2 LEU C 49 141.838 13.585 10.521 1.00 0.34 C ATOM 0 H LEU C 49 141.660 16.287 14.535 1.00 0.39 H new ATOM 0 HA LEU C 49 140.230 13.718 13.824 1.00 0.38 H new ATOM 0 HB2 LEU C 49 143.096 14.652 13.199 1.00 0.37 H new ATOM 0 HB3 LEU C 49 142.463 13.059 12.838 1.00 0.37 H new ATOM 0 HG LEU C 49 140.558 14.831 11.729 1.00 0.36 H new ATOM 0 HD11 LEU C 49 141.942 16.299 10.288 1.00 0.44 H new ATOM 0 HD12 LEU C 49 142.194 16.673 12.010 1.00 0.44 H new ATOM 0 HD13 LEU C 49 143.410 15.729 11.117 1.00 0.44 H new ATOM 0 HD21 LEU C 49 141.437 13.957 9.578 1.00 0.34 H new ATOM 0 HD22 LEU C 49 142.904 13.388 10.409 1.00 0.34 H new ATOM 0 HD23 LEU C 49 141.326 12.663 10.795 1.00 0.34 H new ATOM 790 N CYS C 50 141.845 12.461 15.490 1.00 0.36 N ATOM 791 CA CYS C 50 142.366 11.886 16.763 1.00 0.41 C ATOM 792 C CYS C 50 143.178 10.620 16.477 1.00 0.38 C ATOM 793 O CYS C 50 142.705 9.696 15.845 1.00 0.39 O ATOM 794 CB CYS C 50 141.122 11.552 17.587 1.00 0.48 C ATOM 795 SG CYS C 50 139.940 10.645 16.558 1.00 1.45 S ATOM 0 H CYS C 50 141.642 11.780 14.758 1.00 0.36 H new ATOM 0 HA CYS C 50 143.027 12.576 17.288 1.00 0.41 H new ATOM 0 HB2 CYS C 50 141.398 10.954 18.455 1.00 0.48 H new ATOM 0 HB3 CYS C 50 140.665 12.468 17.963 1.00 0.48 H new ATOM 0 HG CYS C 50 140.210 9.374 16.604 1.00 1.45 H new ATOM 801 N LEU C 51 144.398 10.571 16.937 1.00 0.45 N ATOM 802 CA LEU C 51 145.242 9.366 16.691 1.00 0.47 C ATOM 803 C LEU C 51 144.448 8.092 16.992 1.00 0.47 C ATOM 804 O LEU C 51 143.823 7.969 18.027 1.00 0.52 O ATOM 805 CB LEU C 51 146.419 9.504 17.658 1.00 0.58 C ATOM 806 CG LEU C 51 147.559 10.256 16.971 1.00 0.62 C ATOM 807 CD1 LEU C 51 148.468 10.883 18.029 1.00 0.78 C ATOM 808 CD2 LEU C 51 148.371 9.279 16.118 1.00 0.70 C ATOM 0 H LEU C 51 144.848 11.313 17.473 1.00 0.45 H new ATOM 0 HA LEU C 51 145.571 9.297 15.654 1.00 0.47 H new ATOM 0 HB2 LEU C 51 146.106 10.038 18.555 1.00 0.58 H new ATOM 0 HB3 LEU C 51 146.759 8.519 17.976 1.00 0.58 H new ATOM 0 HG LEU C 51 147.146 11.040 16.336 1.00 0.62 H new ATOM 0 HD11 LEU C 51 149.281 11.419 17.539 1.00 0.78 H new ATOM 0 HD12 LEU C 51 147.891 11.578 18.639 1.00 0.78 H new ATOM 0 HD13 LEU C 51 148.881 10.100 18.664 1.00 0.78 H new ATOM 0 HD21 LEU C 51 149.184 9.814 15.627 1.00 0.70 H new ATOM 0 HD22 LEU C 51 148.783 8.496 16.755 1.00 0.70 H new ATOM 0 HD23 LEU C 51 147.725 8.830 15.364 1.00 0.70 H new ATOM 820 N TYR C 52 144.469 7.144 16.096 1.00 0.46 N ATOM 821 CA TYR C 52 143.718 5.878 16.332 1.00 0.49 C ATOM 822 C TYR C 52 144.509 4.963 17.270 1.00 0.57 C ATOM 823 O TYR C 52 144.128 3.836 17.522 1.00 0.69 O ATOM 824 CB TYR C 52 143.579 5.238 14.950 1.00 0.51 C ATOM 825 CG TYR C 52 142.782 3.961 15.062 1.00 0.57 C ATOM 826 CD1 TYR C 52 141.389 4.014 15.199 1.00 1.37 C ATOM 827 CD2 TYR C 52 143.435 2.723 15.028 1.00 1.24 C ATOM 828 CE1 TYR C 52 140.650 2.830 15.302 1.00 1.46 C ATOM 829 CE2 TYR C 52 142.695 1.539 15.131 1.00 1.28 C ATOM 830 CZ TYR C 52 141.303 1.592 15.268 1.00 0.82 C ATOM 831 OH TYR C 52 140.574 0.424 15.369 1.00 0.98 O ATOM 0 H TYR C 52 144.973 7.191 15.211 1.00 0.46 H new ATOM 0 HA TYR C 52 142.749 6.052 16.800 1.00 0.49 H new ATOM 0 HB2 TYR C 52 143.085 5.928 14.266 1.00 0.51 H new ATOM 0 HB3 TYR C 52 144.565 5.028 14.534 1.00 0.51 H new ATOM 0 HD1 TYR C 52 140.885 4.969 15.225 1.00 1.37 H new ATOM 0 HD2 TYR C 52 144.509 2.681 14.922 1.00 1.24 H new ATOM 0 HE1 TYR C 52 139.576 2.871 15.408 1.00 1.46 H new ATOM 0 HE2 TYR C 52 143.199 0.584 15.105 1.00 1.28 H new ATOM 0 HH TYR C 52 141.180 -0.345 15.327 1.00 0.98 H new ATOM 841 N GLU C 53 145.609 5.437 17.787 1.00 0.58 N ATOM 842 CA GLU C 53 146.425 4.595 18.707 1.00 0.70 C ATOM 843 C GLU C 53 145.960 4.783 20.154 1.00 0.76 C ATOM 844 O GLU C 53 145.774 3.831 20.885 1.00 0.91 O ATOM 845 CB GLU C 53 147.859 5.098 18.536 1.00 0.82 C ATOM 846 CG GLU C 53 148.797 4.283 19.429 1.00 1.20 C ATOM 847 CD GLU C 53 149.486 3.203 18.593 1.00 1.68 C ATOM 848 OE1 GLU C 53 148.949 2.852 17.556 1.00 2.24 O ATOM 849 OE2 GLU C 53 150.539 2.745 19.006 1.00 2.34 O ATOM 0 H GLU C 53 145.978 6.372 17.612 1.00 0.58 H new ATOM 0 HA GLU C 53 146.335 3.532 18.482 1.00 0.70 H new ATOM 0 HB2 GLU C 53 148.165 5.010 17.493 1.00 0.82 H new ATOM 0 HB3 GLU C 53 147.918 6.155 18.797 1.00 0.82 H new ATOM 0 HG2 GLU C 53 149.542 4.936 19.884 1.00 1.20 H new ATOM 0 HG3 GLU C 53 148.235 3.825 20.243 1.00 1.20 H new ATOM 856 N ASP C 54 145.770 6.005 20.572 1.00 0.73 N ATOM 857 CA ASP C 54 145.318 6.252 21.971 1.00 0.87 C ATOM 858 C ASP C 54 144.266 7.364 22.000 1.00 0.82 C ATOM 859 O ASP C 54 143.961 7.915 23.038 1.00 0.92 O ATOM 860 CB ASP C 54 146.577 6.685 22.722 1.00 1.01 C ATOM 861 CG ASP C 54 146.542 6.124 24.145 1.00 1.51 C ATOM 862 OD1 ASP C 54 146.544 4.912 24.283 1.00 2.36 O ATOM 863 OD2 ASP C 54 146.515 6.916 25.072 1.00 1.88 O ATOM 0 H ASP C 54 145.908 6.842 20.006 1.00 0.73 H new ATOM 0 HA ASP C 54 144.859 5.370 22.418 1.00 0.87 H new ATOM 0 HB2 ASP C 54 147.465 6.328 22.201 1.00 1.01 H new ATOM 0 HB3 ASP C 54 146.640 7.773 22.750 1.00 1.01 H new ATOM 868 N GLY C 55 143.709 7.696 20.868 1.00 0.74 N ATOM 869 CA GLY C 55 142.678 8.772 20.832 1.00 0.74 C ATOM 870 C GLY C 55 143.325 10.114 21.176 1.00 0.74 C ATOM 871 O GLY C 55 142.871 10.828 22.047 1.00 1.03 O ATOM 0 H GLY C 55 143.923 7.269 19.967 1.00 0.74 H new ATOM 0 HA2 GLY C 55 142.222 8.820 19.843 1.00 0.74 H new ATOM 0 HA3 GLY C 55 141.880 8.549 21.541 1.00 0.74 H new ATOM 875 N THR C 56 144.383 10.465 20.497 1.00 0.71 N ATOM 876 CA THR C 56 145.059 11.763 20.786 1.00 0.74 C ATOM 877 C THR C 56 144.559 12.844 19.823 1.00 0.68 C ATOM 878 O THR C 56 144.748 12.758 18.627 1.00 0.60 O ATOM 879 CB THR C 56 146.549 11.497 20.565 1.00 0.78 C ATOM 880 OG1 THR C 56 146.780 10.096 20.527 1.00 0.83 O ATOM 881 CG2 THR C 56 147.354 12.118 21.707 1.00 0.96 C ATOM 0 H THR C 56 144.809 9.910 19.755 1.00 0.71 H new ATOM 0 HA THR C 56 144.856 12.117 21.797 1.00 0.74 H new ATOM 0 HB THR C 56 146.861 11.941 19.620 1.00 0.78 H new ATOM 0 HG1 THR C 56 147.744 9.923 20.544 1.00 0.83 H new ATOM 0 HG21 THR C 56 148.416 11.928 21.549 1.00 0.96 H new ATOM 0 HG22 THR C 56 147.178 13.193 21.734 1.00 0.96 H new ATOM 0 HG23 THR C 56 147.043 11.676 22.654 1.00 0.96 H new ATOM 889 N GLU C 57 143.924 13.860 20.336 1.00 0.78 N ATOM 890 CA GLU C 57 143.414 14.945 19.449 1.00 0.76 C ATOM 891 C GLU C 57 144.547 15.490 18.575 1.00 0.73 C ATOM 892 O GLU C 57 145.605 15.840 19.059 1.00 0.86 O ATOM 893 CB GLU C 57 142.901 16.027 20.400 1.00 0.88 C ATOM 894 CG GLU C 57 141.380 15.919 20.523 1.00 1.46 C ATOM 895 CD GLU C 57 140.845 17.119 21.305 1.00 1.94 C ATOM 896 OE1 GLU C 57 141.118 18.237 20.898 1.00 2.44 O ATOM 897 OE2 GLU C 57 140.171 16.902 22.298 1.00 2.43 O ATOM 0 H GLU C 57 143.736 13.987 21.330 1.00 0.78 H new ATOM 0 HA GLU C 57 142.634 14.594 18.774 1.00 0.76 H new ATOM 0 HB2 GLU C 57 143.365 15.914 21.380 1.00 0.88 H new ATOM 0 HB3 GLU C 57 143.177 17.014 20.028 1.00 0.88 H new ATOM 0 HG2 GLU C 57 140.926 15.885 19.533 1.00 1.46 H new ATOM 0 HG3 GLU C 57 141.110 14.992 21.029 1.00 1.46 H new ATOM 904 N VAL C 58 144.332 15.567 17.290 1.00 0.64 N ATOM 905 CA VAL C 58 145.396 16.090 16.386 1.00 0.64 C ATOM 906 C VAL C 58 144.823 17.171 15.466 1.00 0.58 C ATOM 907 O VAL C 58 143.680 17.110 15.058 1.00 0.56 O ATOM 908 CB VAL C 58 145.854 14.880 15.572 1.00 0.69 C ATOM 909 CG1 VAL C 58 147.001 15.291 14.646 1.00 0.78 C ATOM 910 CG2 VAL C 58 146.335 13.781 16.521 1.00 0.85 C ATOM 0 H VAL C 58 143.466 15.291 16.827 1.00 0.64 H new ATOM 0 HA VAL C 58 146.219 16.545 16.936 1.00 0.64 H new ATOM 0 HB VAL C 58 145.021 14.508 14.975 1.00 0.69 H new ATOM 0 HG11 VAL C 58 147.327 14.428 14.066 1.00 0.78 H new ATOM 0 HG12 VAL C 58 146.660 16.075 13.970 1.00 0.78 H new ATOM 0 HG13 VAL C 58 147.834 15.663 15.242 1.00 0.78 H new ATOM 0 HG21 VAL C 58 146.662 12.917 15.942 1.00 0.85 H new ATOM 0 HG22 VAL C 58 147.168 14.154 17.118 1.00 0.85 H new ATOM 0 HG23 VAL C 58 145.519 13.487 17.181 1.00 0.85 H new ATOM 920 N THR C 59 145.607 18.161 15.138 1.00 0.64 N ATOM 921 CA THR C 59 145.106 19.245 14.245 1.00 0.67 C ATOM 922 C THR C 59 146.243 19.778 13.370 1.00 0.66 C ATOM 923 O THR C 59 147.153 19.058 13.011 1.00 0.69 O ATOM 924 CB THR C 59 144.600 20.336 15.191 1.00 0.72 C ATOM 925 OG1 THR C 59 144.166 19.741 16.406 1.00 0.77 O ATOM 926 CG2 THR C 59 143.433 21.079 14.539 1.00 0.84 C ATOM 0 H THR C 59 146.573 18.267 15.449 1.00 0.64 H new ATOM 0 HA THR C 59 144.324 18.896 13.571 1.00 0.67 H new ATOM 0 HB THR C 59 145.405 21.041 15.398 1.00 0.72 H new ATOM 0 HG1 THR C 59 143.843 20.438 17.014 1.00 0.77 H new ATOM 0 HG21 THR C 59 143.074 21.856 15.214 1.00 0.84 H new ATOM 0 HG22 THR C 59 143.767 21.534 13.607 1.00 0.84 H new ATOM 0 HG23 THR C 59 142.625 20.377 14.331 1.00 0.84 H new ATOM 934 N ASP C 60 146.199 21.036 13.023 1.00 0.68 N ATOM 935 CA ASP C 60 147.278 21.613 12.171 1.00 0.71 C ATOM 936 C ASP C 60 148.411 22.154 13.047 1.00 0.72 C ATOM 937 O ASP C 60 149.316 22.812 12.572 1.00 0.99 O ATOM 938 CB ASP C 60 146.607 22.749 11.399 1.00 0.78 C ATOM 939 CG ASP C 60 146.320 23.914 12.348 1.00 1.54 C ATOM 940 OD1 ASP C 60 147.225 24.699 12.581 1.00 2.11 O ATOM 941 OD2 ASP C 60 145.201 24.002 12.825 1.00 2.33 O ATOM 0 H ASP C 60 145.463 21.689 13.293 1.00 0.68 H new ATOM 0 HA ASP C 60 147.719 20.872 11.504 1.00 0.71 H new ATOM 0 HB2 ASP C 60 147.252 23.080 10.585 1.00 0.78 H new ATOM 0 HB3 ASP C 60 145.679 22.397 10.948 1.00 0.78 H new ATOM 946 N ASP C 61 148.369 21.882 14.322 1.00 0.65 N ATOM 947 CA ASP C 61 149.445 22.381 15.227 1.00 0.68 C ATOM 948 C ASP C 61 150.099 21.210 15.967 1.00 0.68 C ATOM 949 O ASP C 61 151.158 21.343 16.547 1.00 0.83 O ATOM 950 CB ASP C 61 148.735 23.309 16.213 1.00 0.75 C ATOM 951 CG ASP C 61 149.505 24.626 16.320 1.00 1.10 C ATOM 952 OD1 ASP C 61 150.655 24.586 16.725 1.00 1.79 O ATOM 953 OD2 ASP C 61 148.932 25.653 15.994 1.00 1.61 O ATOM 0 H ASP C 61 147.637 21.336 14.777 1.00 0.65 H new ATOM 0 HA ASP C 61 150.237 22.895 14.683 1.00 0.68 H new ATOM 0 HB2 ASP C 61 147.714 23.498 15.880 1.00 0.75 H new ATOM 0 HB3 ASP C 61 148.668 22.834 17.192 1.00 0.75 H new ATOM 958 N CYS C 62 149.475 20.063 15.950 1.00 0.66 N ATOM 959 CA CYS C 62 150.061 18.885 16.651 1.00 0.75 C ATOM 960 C CYS C 62 150.123 17.684 15.703 1.00 0.64 C ATOM 961 O CYS C 62 150.363 16.567 16.116 1.00 0.61 O ATOM 962 CB CYS C 62 149.108 18.602 17.813 1.00 0.88 C ATOM 963 SG CYS C 62 149.946 18.950 19.379 1.00 1.36 S ATOM 0 H CYS C 62 148.586 19.891 15.481 1.00 0.66 H new ATOM 0 HA CYS C 62 151.078 19.072 16.994 1.00 0.75 H new ATOM 0 HB2 CYS C 62 148.214 19.218 17.722 1.00 0.88 H new ATOM 0 HB3 CYS C 62 148.783 17.562 17.786 1.00 0.88 H new ATOM 0 HG CYS C 62 149.136 18.712 20.367 1.00 1.36 H new ATOM 969 N PHE C 63 149.908 17.906 14.435 1.00 0.68 N ATOM 970 CA PHE C 63 149.955 16.778 13.463 1.00 0.61 C ATOM 971 C PHE C 63 151.411 16.401 13.126 1.00 0.61 C ATOM 972 O PHE C 63 151.749 15.233 13.134 1.00 0.60 O ATOM 973 CB PHE C 63 149.193 17.281 12.227 1.00 0.66 C ATOM 974 CG PHE C 63 149.668 16.556 10.987 1.00 0.64 C ATOM 975 CD1 PHE C 63 150.864 16.937 10.366 1.00 1.45 C ATOM 976 CD2 PHE C 63 148.911 15.503 10.460 1.00 1.20 C ATOM 977 CE1 PHE C 63 151.302 16.266 9.218 1.00 1.46 C ATOM 978 CE2 PHE C 63 149.350 14.831 9.312 1.00 1.23 C ATOM 979 CZ PHE C 63 150.545 15.213 8.691 1.00 0.72 C ATOM 0 H PHE C 63 149.702 18.819 14.031 1.00 0.68 H new ATOM 0 HA PHE C 63 149.504 15.870 13.864 1.00 0.61 H new ATOM 0 HB2 PHE C 63 148.123 17.123 12.362 1.00 0.66 H new ATOM 0 HB3 PHE C 63 149.344 18.354 12.110 1.00 0.66 H new ATOM 0 HD1 PHE C 63 151.449 17.749 10.773 1.00 1.45 H new ATOM 0 HD2 PHE C 63 147.989 15.209 10.938 1.00 1.20 H new ATOM 0 HE1 PHE C 63 152.224 16.561 8.739 1.00 1.46 H new ATOM 0 HE2 PHE C 63 148.766 14.018 8.906 1.00 1.23 H new ATOM 0 HZ PHE C 63 150.883 14.695 7.805 1.00 0.72 H new ATOM 989 N PRO C 64 152.237 17.384 12.839 1.00 0.69 N ATOM 990 CA PRO C 64 153.654 17.099 12.504 1.00 0.78 C ATOM 991 C PRO C 64 154.371 16.465 13.700 1.00 0.78 C ATOM 992 O PRO C 64 155.402 15.838 13.556 1.00 0.89 O ATOM 993 CB PRO C 64 154.217 18.488 12.197 1.00 0.91 C ATOM 994 CG PRO C 64 153.095 19.528 12.371 1.00 0.90 C ATOM 995 CD PRO C 64 151.820 18.807 12.830 1.00 0.77 C ATOM 0 HA PRO C 64 153.776 16.397 11.679 1.00 0.78 H new ATOM 0 HB2 PRO C 64 155.048 18.714 12.865 1.00 0.91 H new ATOM 0 HB3 PRO C 64 154.607 18.521 11.180 1.00 0.91 H new ATOM 0 HG2 PRO C 64 153.388 20.280 13.103 1.00 0.90 H new ATOM 0 HG3 PRO C 64 152.916 20.051 11.431 1.00 0.90 H new ATOM 0 HD2 PRO C 64 151.498 19.141 13.816 1.00 0.77 H new ATOM 0 HD3 PRO C 64 150.988 18.981 12.148 1.00 0.77 H new ATOM 1003 N GLY C 65 153.834 16.624 14.878 1.00 0.74 N ATOM 1004 CA GLY C 65 154.485 16.031 16.081 1.00 0.79 C ATOM 1005 C GLY C 65 154.466 14.506 15.973 1.00 0.72 C ATOM 1006 O GLY C 65 155.200 13.817 16.653 1.00 0.77 O ATOM 0 H GLY C 65 152.973 17.139 15.060 1.00 0.74 H new ATOM 0 HA2 GLY C 65 155.512 16.387 16.165 1.00 0.79 H new ATOM 0 HA3 GLY C 65 153.963 16.349 16.984 1.00 0.79 H new ATOM 1010 N LEU C 66 153.631 13.971 15.125 1.00 0.66 N ATOM 1011 CA LEU C 66 153.567 12.489 14.976 1.00 0.61 C ATOM 1012 C LEU C 66 154.555 12.021 13.900 1.00 0.59 C ATOM 1013 O LEU C 66 154.889 12.769 13.003 1.00 0.63 O ATOM 1014 CB LEU C 66 152.128 12.195 14.548 1.00 0.59 C ATOM 1015 CG LEU C 66 151.160 12.958 15.453 1.00 0.62 C ATOM 1016 CD1 LEU C 66 149.723 12.552 15.123 1.00 0.69 C ATOM 1017 CD2 LEU C 66 151.460 12.623 16.916 1.00 0.72 C ATOM 0 H LEU C 66 152.991 14.495 14.529 1.00 0.66 H new ATOM 0 HA LEU C 66 153.832 11.970 15.897 1.00 0.61 H new ATOM 0 HB2 LEU C 66 151.979 12.489 13.509 1.00 0.59 H new ATOM 0 HB3 LEU C 66 151.931 11.125 14.608 1.00 0.59 H new ATOM 0 HG LEU C 66 151.280 14.029 15.292 1.00 0.62 H new ATOM 0 HD11 LEU C 66 149.034 13.096 15.769 1.00 0.69 H new ATOM 0 HD12 LEU C 66 149.508 12.789 14.081 1.00 0.69 H new ATOM 0 HD13 LEU C 66 149.601 11.481 15.284 1.00 0.69 H new ATOM 0 HD21 LEU C 66 150.771 13.166 17.562 1.00 0.72 H new ATOM 0 HD22 LEU C 66 151.339 11.552 17.076 1.00 0.72 H new ATOM 0 HD23 LEU C 66 152.484 12.912 17.153 1.00 0.72 H new ATOM 1029 N PRO C 67 154.993 10.791 14.024 1.00 0.57 N ATOM 1030 CA PRO C 67 155.952 10.219 13.049 1.00 0.60 C ATOM 1031 C PRO C 67 155.342 10.195 11.645 1.00 0.61 C ATOM 1032 O PRO C 67 154.402 10.908 11.354 1.00 0.85 O ATOM 1033 CB PRO C 67 156.164 8.798 13.580 1.00 0.62 C ATOM 1034 CG PRO C 67 155.311 8.610 14.850 1.00 0.59 C ATOM 1035 CD PRO C 67 154.556 9.914 15.136 1.00 0.56 C ATOM 0 HA PRO C 67 156.877 10.788 12.960 1.00 0.60 H new ATOM 0 HB2 PRO C 67 155.881 8.066 12.823 1.00 0.62 H new ATOM 0 HB3 PRO C 67 157.218 8.632 13.805 1.00 0.62 H new ATOM 0 HG2 PRO C 67 154.607 7.789 14.714 1.00 0.59 H new ATOM 0 HG3 PRO C 67 155.946 8.348 15.696 1.00 0.59 H new ATOM 0 HD2 PRO C 67 153.476 9.766 15.135 1.00 0.56 H new ATOM 0 HD3 PRO C 67 154.820 10.330 16.108 1.00 0.56 H new ATOM 1043 N ASN C 68 155.868 9.377 10.773 1.00 0.57 N ATOM 1044 CA ASN C 68 155.316 9.304 9.390 1.00 0.55 C ATOM 1045 C ASN C 68 153.850 8.857 9.438 1.00 0.50 C ATOM 1046 O ASN C 68 153.094 9.325 10.258 1.00 0.47 O ATOM 1047 CB ASN C 68 156.181 8.263 8.677 1.00 0.63 C ATOM 1048 CG ASN C 68 157.655 8.649 8.809 1.00 1.20 C ATOM 1049 OD1 ASN C 68 158.155 8.821 9.903 1.00 1.90 O ATOM 1050 ND2 ASN C 68 158.378 8.792 7.732 1.00 1.82 N ATOM 0 H ASN C 68 156.656 8.756 10.959 1.00 0.57 H new ATOM 0 HA ASN C 68 155.337 10.265 8.877 1.00 0.55 H new ATOM 0 HB2 ASN C 68 156.012 7.277 9.109 1.00 0.63 H new ATOM 0 HB3 ASN C 68 155.903 8.202 7.625 1.00 0.63 H new ATOM 0 HD21 ASN C 68 159.362 9.048 7.809 1.00 1.82 H new ATOM 0 HD22 ASN C 68 157.959 8.648 6.813 1.00 1.82 H new ATOM 1057 N ASP C 69 153.458 7.965 8.555 1.00 0.50 N ATOM 1058 CA ASP C 69 152.050 7.464 8.505 1.00 0.47 C ATOM 1059 C ASP C 69 151.378 7.508 9.881 1.00 0.46 C ATOM 1060 O ASP C 69 151.322 6.522 10.588 1.00 0.51 O ATOM 1061 CB ASP C 69 152.174 6.016 8.030 1.00 0.54 C ATOM 1062 CG ASP C 69 153.262 5.305 8.837 1.00 1.28 C ATOM 1063 OD1 ASP C 69 153.570 5.773 9.921 1.00 2.05 O ATOM 1064 OD2 ASP C 69 153.768 4.304 8.357 1.00 2.06 O ATOM 0 H ASP C 69 154.073 7.556 7.852 1.00 0.50 H new ATOM 0 HA ASP C 69 151.434 8.080 7.850 1.00 0.47 H new ATOM 0 HB2 ASP C 69 151.221 5.500 8.150 1.00 0.54 H new ATOM 0 HB3 ASP C 69 152.419 5.990 6.968 1.00 0.54 H new ATOM 1069 N ALA C 70 150.870 8.646 10.264 1.00 0.42 N ATOM 1070 CA ALA C 70 150.202 8.758 11.591 1.00 0.43 C ATOM 1071 C ALA C 70 148.729 8.356 11.476 1.00 0.39 C ATOM 1072 O ALA C 70 147.984 8.913 10.694 1.00 0.46 O ATOM 1073 CB ALA C 70 150.327 10.233 11.975 1.00 0.44 C ATOM 0 H ALA C 70 150.889 9.505 9.714 1.00 0.42 H new ATOM 0 HA ALA C 70 150.653 8.104 12.337 1.00 0.43 H new ATOM 0 HB1 ALA C 70 149.857 10.398 12.945 1.00 0.44 H new ATOM 0 HB2 ALA C 70 151.381 10.506 12.031 1.00 0.44 H new ATOM 0 HB3 ALA C 70 149.832 10.848 11.223 1.00 0.44 H new ATOM 1079 N GLU C 71 148.303 7.394 12.247 1.00 0.37 N ATOM 1080 CA GLU C 71 146.878 6.959 12.179 1.00 0.35 C ATOM 1081 C GLU C 71 145.952 8.136 12.500 1.00 0.29 C ATOM 1082 O GLU C 71 145.547 8.329 13.629 1.00 0.32 O ATOM 1083 CB GLU C 71 146.745 5.868 13.241 1.00 0.41 C ATOM 1084 CG GLU C 71 147.802 4.788 13.001 1.00 0.57 C ATOM 1085 CD GLU C 71 147.211 3.415 13.326 1.00 1.40 C ATOM 1086 OE1 GLU C 71 145.999 3.289 13.289 1.00 2.11 O ATOM 1087 OE2 GLU C 71 147.982 2.512 13.608 1.00 2.11 O ATOM 0 H GLU C 71 148.879 6.890 12.921 1.00 0.37 H new ATOM 0 HA GLU C 71 146.603 6.598 11.188 1.00 0.35 H new ATOM 0 HB2 GLU C 71 146.868 6.297 14.235 1.00 0.41 H new ATOM 0 HB3 GLU C 71 145.748 5.430 13.204 1.00 0.41 H new ATOM 0 HG2 GLU C 71 148.137 4.816 11.964 1.00 0.57 H new ATOM 0 HG3 GLU C 71 148.677 4.976 13.623 1.00 0.57 H new ATOM 1094 N LEU C 72 145.615 8.923 11.515 1.00 0.26 N ATOM 1095 CA LEU C 72 144.717 10.087 11.766 1.00 0.23 C ATOM 1096 C LEU C 72 143.253 9.673 11.596 1.00 0.22 C ATOM 1097 O LEU C 72 142.765 9.519 10.494 1.00 0.28 O ATOM 1098 CB LEU C 72 145.107 11.123 10.711 1.00 0.23 C ATOM 1099 CG LEU C 72 145.616 12.389 11.401 1.00 0.29 C ATOM 1100 CD1 LEU C 72 146.909 12.076 12.156 1.00 0.40 C ATOM 1101 CD2 LEU C 72 145.888 13.467 10.349 1.00 0.34 C ATOM 0 H LEU C 72 145.922 8.811 10.549 1.00 0.26 H new ATOM 0 HA LEU C 72 144.821 10.477 12.779 1.00 0.23 H new ATOM 0 HB2 LEU C 72 145.879 10.718 10.056 1.00 0.23 H new ATOM 0 HB3 LEU C 72 144.248 11.359 10.083 1.00 0.23 H new ATOM 0 HG LEU C 72 144.864 12.747 12.104 1.00 0.29 H new ATOM 0 HD11 LEU C 72 147.271 12.979 12.647 1.00 0.40 H new ATOM 0 HD12 LEU C 72 146.716 11.308 12.905 1.00 0.40 H new ATOM 0 HD13 LEU C 72 147.662 11.718 11.454 1.00 0.40 H new ATOM 0 HD21 LEU C 72 146.251 14.370 10.839 1.00 0.34 H new ATOM 0 HD22 LEU C 72 146.640 13.108 9.646 1.00 0.34 H new ATOM 0 HD23 LEU C 72 144.967 13.691 9.811 1.00 0.34 H new ATOM 1113 N LEU C 73 142.548 9.493 12.680 1.00 0.22 N ATOM 1114 CA LEU C 73 141.115 9.091 12.579 1.00 0.23 C ATOM 1115 C LEU C 73 140.232 10.327 12.386 1.00 0.23 C ATOM 1116 O LEU C 73 140.610 11.430 12.725 1.00 0.26 O ATOM 1117 CB LEU C 73 140.800 8.409 13.911 1.00 0.27 C ATOM 1118 CG LEU C 73 139.485 7.636 13.792 1.00 0.35 C ATOM 1119 CD1 LEU C 73 139.741 6.297 13.099 1.00 0.50 C ATOM 1120 CD2 LEU C 73 138.914 7.385 15.189 1.00 0.47 C ATOM 0 H LEU C 73 142.901 9.607 13.630 1.00 0.22 H new ATOM 0 HA LEU C 73 140.929 8.432 11.731 1.00 0.23 H new ATOM 0 HB2 LEU C 73 141.609 7.731 14.185 1.00 0.27 H new ATOM 0 HB3 LEU C 73 140.726 9.153 14.704 1.00 0.27 H new ATOM 0 HG LEU C 73 138.773 8.218 13.206 1.00 0.35 H new ATOM 0 HD11 LEU C 73 138.804 5.746 13.014 1.00 0.50 H new ATOM 0 HD12 LEU C 73 140.149 6.474 12.104 1.00 0.50 H new ATOM 0 HD13 LEU C 73 140.453 5.715 13.684 1.00 0.50 H new ATOM 0 HD21 LEU C 73 137.977 6.834 15.106 1.00 0.47 H new ATOM 0 HD22 LEU C 73 139.626 6.803 15.774 1.00 0.47 H new ATOM 0 HD23 LEU C 73 138.731 8.339 15.684 1.00 0.47 H new ATOM 1132 N LEU C 74 139.059 10.150 11.843 1.00 0.26 N ATOM 1133 CA LEU C 74 138.154 11.316 11.628 1.00 0.30 C ATOM 1134 C LEU C 74 137.412 11.657 12.924 1.00 0.33 C ATOM 1135 O LEU C 74 136.899 10.790 13.603 1.00 0.44 O ATOM 1136 CB LEU C 74 137.170 10.858 10.552 1.00 0.40 C ATOM 1137 CG LEU C 74 136.703 12.066 9.739 1.00 0.77 C ATOM 1138 CD1 LEU C 74 137.847 12.559 8.852 1.00 1.32 C ATOM 1139 CD2 LEU C 74 135.517 11.661 8.861 1.00 0.87 C ATOM 0 H LEU C 74 138.688 9.250 11.539 1.00 0.26 H new ATOM 0 HA LEU C 74 138.698 12.212 11.329 1.00 0.30 H new ATOM 0 HB2 LEU C 74 137.645 10.127 9.897 1.00 0.40 H new ATOM 0 HB3 LEU C 74 136.315 10.364 11.013 1.00 0.40 H new ATOM 0 HG LEU C 74 136.400 12.864 10.417 1.00 0.77 H new ATOM 0 HD11 LEU C 74 137.513 13.420 8.273 1.00 1.32 H new ATOM 0 HD12 LEU C 74 138.693 12.847 9.476 1.00 1.32 H new ATOM 0 HD13 LEU C 74 138.151 11.762 8.174 1.00 1.32 H new ATOM 0 HD21 LEU C 74 135.183 12.521 8.281 1.00 0.87 H new ATOM 0 HD22 LEU C 74 135.821 10.863 8.184 1.00 0.87 H new ATOM 0 HD23 LEU C 74 134.700 11.310 9.492 1.00 0.87 H new ATOM 1151 N LEU C 75 137.353 12.914 13.272 1.00 0.35 N ATOM 1152 CA LEU C 75 136.645 13.309 14.524 1.00 0.42 C ATOM 1153 C LEU C 75 136.141 14.750 14.414 1.00 0.46 C ATOM 1154 O LEU C 75 136.912 15.688 14.402 1.00 0.74 O ATOM 1155 CB LEU C 75 137.696 13.192 15.628 1.00 0.48 C ATOM 1156 CG LEU C 75 137.051 13.499 16.981 1.00 0.66 C ATOM 1157 CD1 LEU C 75 137.790 12.739 18.084 1.00 0.81 C ATOM 1158 CD2 LEU C 75 137.136 15.002 17.255 1.00 0.81 C ATOM 0 H LEU C 75 137.764 13.684 12.744 1.00 0.35 H new ATOM 0 HA LEU C 75 135.775 12.682 14.721 1.00 0.42 H new ATOM 0 HB2 LEU C 75 138.121 12.188 15.635 1.00 0.48 H new ATOM 0 HB3 LEU C 75 138.516 13.884 15.439 1.00 0.48 H new ATOM 0 HG LEU C 75 136.006 13.189 16.964 1.00 0.66 H new ATOM 0 HD11 LEU C 75 137.330 12.958 19.048 1.00 0.81 H new ATOM 0 HD12 LEU C 75 137.732 11.668 17.889 1.00 0.81 H new ATOM 0 HD13 LEU C 75 138.835 13.049 18.102 1.00 0.81 H new ATOM 0 HD21 LEU C 75 136.677 15.223 18.219 1.00 0.81 H new ATOM 0 HD22 LEU C 75 138.181 15.310 17.272 1.00 0.81 H new ATOM 0 HD23 LEU C 75 136.610 15.545 16.470 1.00 0.81 H new ATOM 1170 N THR C 76 134.851 14.933 14.333 1.00 0.51 N ATOM 1171 CA THR C 76 134.301 16.315 14.224 1.00 0.54 C ATOM 1172 C THR C 76 134.122 16.924 15.618 1.00 0.59 C ATOM 1173 O THR C 76 134.216 16.243 16.620 1.00 0.64 O ATOM 1174 CB THR C 76 132.946 16.149 13.534 1.00 0.64 C ATOM 1175 OG1 THR C 76 132.020 15.572 14.444 1.00 0.69 O ATOM 1176 CG2 THR C 76 133.100 15.241 12.314 1.00 0.71 C ATOM 0 H THR C 76 134.155 14.187 14.338 1.00 0.51 H new ATOM 0 HA THR C 76 134.962 16.980 13.669 1.00 0.54 H new ATOM 0 HB THR C 76 132.580 17.124 13.213 1.00 0.64 H new ATOM 0 HG1 THR C 76 131.151 15.467 14.004 1.00 0.69 H new ATOM 0 HG21 THR C 76 132.134 15.124 11.823 1.00 0.71 H new ATOM 0 HG22 THR C 76 133.809 15.686 11.616 1.00 0.71 H new ATOM 0 HG23 THR C 76 133.467 14.265 12.631 1.00 0.71 H new ATOM 1184 N ALA C 77 133.866 18.201 15.689 1.00 0.68 N ATOM 1185 CA ALA C 77 133.682 18.852 17.018 1.00 0.77 C ATOM 1186 C ALA C 77 132.391 18.355 17.674 1.00 0.83 C ATOM 1187 O ALA C 77 131.405 19.063 17.740 1.00 0.99 O ATOM 1188 CB ALA C 77 133.591 20.348 16.717 1.00 0.86 C ATOM 0 H ALA C 77 133.776 18.822 14.885 1.00 0.68 H new ATOM 0 HA ALA C 77 134.496 18.625 17.707 1.00 0.77 H new ATOM 0 HB1 ALA C 77 133.454 20.899 17.648 1.00 0.86 H new ATOM 0 HB2 ALA C 77 134.509 20.678 16.231 1.00 0.86 H new ATOM 0 HB3 ALA C 77 132.744 20.535 16.057 1.00 0.86 H new ATOM 1194 N GLY C 78 132.389 17.144 18.160 1.00 0.83 N ATOM 1195 CA GLY C 78 131.161 16.604 18.811 1.00 0.91 C ATOM 1196 C GLY C 78 131.408 15.160 19.249 1.00 0.92 C ATOM 1197 O GLY C 78 130.972 14.737 20.301 1.00 1.20 O ATOM 0 H GLY C 78 133.184 16.505 18.135 1.00 0.83 H new ATOM 0 HA2 GLY C 78 130.894 17.216 19.673 1.00 0.91 H new ATOM 0 HA3 GLY C 78 130.321 16.646 18.118 1.00 0.91 H new ATOM 1201 N GLU C 79 132.105 14.398 18.450 1.00 0.74 N ATOM 1202 CA GLU C 79 132.379 12.981 18.822 1.00 0.80 C ATOM 1203 C GLU C 79 133.860 12.804 19.167 1.00 0.72 C ATOM 1204 O GLU C 79 134.713 13.506 18.662 1.00 0.67 O ATOM 1205 CB GLU C 79 132.018 12.168 17.578 1.00 0.87 C ATOM 1206 CG GLU C 79 130.654 12.617 17.052 1.00 1.37 C ATOM 1207 CD GLU C 79 130.051 11.510 16.185 1.00 2.11 C ATOM 1208 OE1 GLU C 79 130.162 10.357 16.569 1.00 2.64 O ATOM 1209 OE2 GLU C 79 129.490 11.833 15.152 1.00 2.72 O ATOM 0 H GLU C 79 132.496 14.696 17.556 1.00 0.74 H new ATOM 0 HA GLU C 79 131.808 12.665 19.695 1.00 0.80 H new ATOM 0 HB2 GLU C 79 132.779 12.303 16.809 1.00 0.87 H new ATOM 0 HB3 GLU C 79 131.994 11.105 17.819 1.00 0.87 H new ATOM 0 HG2 GLU C 79 129.988 12.845 17.885 1.00 1.37 H new ATOM 0 HG3 GLU C 79 130.760 13.532 16.470 1.00 1.37 H new ATOM 1216 N THR C 80 134.173 11.870 20.024 1.00 0.77 N ATOM 1217 CA THR C 80 135.599 11.651 20.399 1.00 0.73 C ATOM 1218 C THR C 80 135.967 10.173 20.247 1.00 0.70 C ATOM 1219 O THR C 80 135.147 9.296 20.436 1.00 0.77 O ATOM 1220 CB THR C 80 135.695 12.079 21.864 1.00 0.83 C ATOM 1221 OG1 THR C 80 134.667 11.443 22.610 1.00 0.97 O ATOM 1222 CG2 THR C 80 135.539 13.597 21.966 1.00 0.95 C ATOM 0 H THR C 80 133.504 11.250 20.480 1.00 0.77 H new ATOM 0 HA THR C 80 136.283 12.215 19.764 1.00 0.73 H new ATOM 0 HB THR C 80 136.667 11.789 22.264 1.00 0.83 H new ATOM 0 HG1 THR C 80 134.728 11.715 23.549 1.00 0.97 H new ATOM 0 HG21 THR C 80 135.608 13.900 23.011 1.00 0.95 H new ATOM 0 HG22 THR C 80 136.329 14.083 21.394 1.00 0.95 H new ATOM 0 HG23 THR C 80 134.569 13.891 21.566 1.00 0.95 H new ATOM 1230 N TRP C 81 137.194 9.891 19.906 1.00 0.64 N ATOM 1231 CA TRP C 81 137.617 8.470 19.743 1.00 0.64 C ATOM 1232 C TRP C 81 138.140 7.920 21.073 1.00 0.71 C ATOM 1233 O TRP C 81 139.167 8.340 21.568 1.00 1.00 O ATOM 1234 CB TRP C 81 138.732 8.508 18.696 1.00 0.61 C ATOM 1235 CG TRP C 81 139.489 7.218 18.718 1.00 0.59 C ATOM 1236 CD1 TRP C 81 140.825 7.100 18.544 1.00 0.59 C ATOM 1237 CD2 TRP C 81 138.981 5.867 18.922 1.00 0.65 C ATOM 1238 NE1 TRP C 81 141.170 5.763 18.628 1.00 0.64 N ATOM 1239 CE2 TRP C 81 140.068 4.964 18.860 1.00 0.67 C ATOM 1240 CE3 TRP C 81 137.696 5.344 19.153 1.00 0.73 C ATOM 1241 CZ2 TRP C 81 139.887 3.589 19.021 1.00 0.76 C ATOM 1242 CZ3 TRP C 81 137.510 3.961 19.315 1.00 0.82 C ATOM 1243 CH2 TRP C 81 138.604 3.086 19.250 1.00 0.83 C ATOM 0 H TRP C 81 137.923 10.583 19.733 1.00 0.64 H new ATOM 0 HA TRP C 81 136.795 7.824 19.436 1.00 0.64 H new ATOM 0 HB2 TRP C 81 138.308 8.675 17.706 1.00 0.61 H new ATOM 0 HB3 TRP C 81 139.406 9.340 18.899 1.00 0.61 H new ATOM 0 HD1 TRP C 81 141.510 7.916 18.368 1.00 0.59 H new ATOM 0 HE1 TRP C 81 142.122 5.410 18.530 1.00 0.64 H new ATOM 0 HE3 TRP C 81 136.847 6.010 19.206 1.00 0.73 H new ATOM 0 HZ2 TRP C 81 140.733 2.919 18.969 1.00 0.76 H new ATOM 0 HZ3 TRP C 81 136.519 3.569 19.491 1.00 0.82 H new ATOM 0 HH2 TRP C 81 138.455 2.024 19.377 1.00 0.83 H new ATOM 1254 N HIS C 82 137.441 6.984 21.655 1.00 0.81 N ATOM 1255 CA HIS C 82 137.900 6.409 22.952 1.00 0.85 C ATOM 1256 C HIS C 82 139.402 6.116 22.899 1.00 0.87 C ATOM 1257 O HIS C 82 140.148 6.491 23.781 1.00 1.56 O ATOM 1258 CB HIS C 82 137.105 5.113 23.114 1.00 0.92 C ATOM 1259 CG HIS C 82 136.497 5.066 24.489 1.00 1.29 C ATOM 1260 ND1 HIS C 82 135.200 5.487 24.738 1.00 1.87 N ATOM 1261 CD2 HIS C 82 136.996 4.651 25.699 1.00 1.85 C ATOM 1262 CE1 HIS C 82 134.964 5.317 26.052 1.00 2.23 C ATOM 1263 NE2 HIS C 82 136.026 4.811 26.685 1.00 2.20 N ATOM 0 H HIS C 82 136.573 6.593 21.289 1.00 0.81 H new ATOM 0 HA HIS C 82 137.740 7.092 23.786 1.00 0.85 H new ATOM 0 HB2 HIS C 82 136.323 5.057 22.357 1.00 0.92 H new ATOM 0 HB3 HIS C 82 137.757 4.253 22.963 1.00 0.92 H new ATOM 0 HD2 HIS C 82 137.990 4.260 25.861 1.00 1.85 H new ATOM 0 HE1 HIS C 82 134.030 5.560 26.536 1.00 2.23 H new ATOM 0 HE2 HIS C 82 136.109 4.589 27.677 1.00 2.20 H new ATOM 1271 N GLY C 83 139.850 5.449 21.871 1.00 1.00 N ATOM 1272 CA GLY C 83 141.302 5.134 21.763 1.00 1.03 C ATOM 1273 C GLY C 83 141.495 3.617 21.718 1.00 1.05 C ATOM 1274 O GLY C 83 140.716 2.866 22.270 1.00 1.19 O ATOM 0 H GLY C 83 139.273 5.109 21.102 1.00 1.00 H new ATOM 0 HA2 GLY C 83 141.718 5.591 20.865 1.00 1.03 H new ATOM 0 HA3 GLY C 83 141.840 5.554 22.613 1.00 1.03 H new ATOM 1278 N TYR C 84 142.528 3.161 21.063 1.00 1.04 N ATOM 1279 CA TYR C 84 142.771 1.692 20.982 1.00 1.17 C ATOM 1280 C TYR C 84 142.712 1.068 22.379 1.00 1.44 C ATOM 1281 O TYR C 84 143.708 0.972 23.069 1.00 1.82 O ATOM 1282 CB TYR C 84 144.174 1.556 20.392 1.00 1.20 C ATOM 1283 CG TYR C 84 144.461 0.102 20.100 1.00 1.21 C ATOM 1284 CD1 TYR C 84 143.929 -0.500 18.954 1.00 1.98 C ATOM 1285 CD2 TYR C 84 145.259 -0.643 20.976 1.00 1.58 C ATOM 1286 CE1 TYR C 84 144.196 -1.847 18.683 1.00 2.29 C ATOM 1287 CE2 TYR C 84 145.525 -1.991 20.706 1.00 1.88 C ATOM 1288 CZ TYR C 84 144.994 -2.593 19.559 1.00 1.95 C ATOM 1289 OH TYR C 84 145.257 -3.921 19.292 1.00 2.46 O ATOM 0 H TYR C 84 143.214 3.742 20.581 1.00 1.04 H new ATOM 0 HA TYR C 84 142.023 1.182 20.376 1.00 1.17 H new ATOM 0 HB2 TYR C 84 144.254 2.144 19.478 1.00 1.20 H new ATOM 0 HB3 TYR C 84 144.913 1.950 21.090 1.00 1.20 H new ATOM 0 HD1 TYR C 84 143.312 0.075 18.279 1.00 1.98 H new ATOM 0 HD2 TYR C 84 145.670 -0.178 21.860 1.00 1.58 H new ATOM 0 HE1 TYR C 84 143.786 -2.311 17.798 1.00 2.29 H new ATOM 0 HE2 TYR C 84 146.140 -2.566 21.383 1.00 1.88 H new ATOM 0 HH TYR C 84 145.827 -4.290 19.999 1.00 2.46 H new ATOM 1299 N VAL C 85 141.553 0.644 22.802 1.00 1.52 N ATOM 1300 CA VAL C 85 141.432 0.027 24.153 1.00 1.88 C ATOM 1301 C VAL C 85 141.736 -1.472 24.080 1.00 1.86 C ATOM 1302 O VAL C 85 141.543 -2.105 23.061 1.00 1.82 O ATOM 1303 CB VAL C 85 139.981 0.258 24.567 1.00 2.34 C ATOM 1304 CG1 VAL C 85 139.778 -0.218 26.007 1.00 3.09 C ATOM 1305 CG2 VAL C 85 139.656 1.751 24.475 1.00 2.72 C ATOM 0 H VAL C 85 140.684 0.698 22.270 1.00 1.52 H new ATOM 0 HA VAL C 85 142.133 0.459 24.867 1.00 1.88 H new ATOM 0 HB VAL C 85 139.321 -0.301 23.903 1.00 2.34 H new ATOM 0 HG11 VAL C 85 138.742 -0.053 26.302 1.00 3.09 H new ATOM 0 HG12 VAL C 85 140.010 -1.281 26.075 1.00 3.09 H new ATOM 0 HG13 VAL C 85 140.438 0.340 26.671 1.00 3.09 H new ATOM 0 HG21 VAL C 85 138.620 1.917 24.770 1.00 2.72 H new ATOM 0 HG22 VAL C 85 140.316 2.309 25.139 1.00 2.72 H new ATOM 0 HG23 VAL C 85 139.800 2.092 23.450 1.00 2.72 H new ATOM 1315 N SER C 86 142.209 -2.044 25.153 1.00 2.19 N ATOM 1316 CA SER C 86 142.524 -3.501 25.143 1.00 2.39 C ATOM 1317 C SER C 86 141.582 -4.250 26.089 1.00 2.65 C ATOM 1318 O SER C 86 141.954 -5.228 26.706 1.00 2.96 O ATOM 1319 CB SER C 86 143.966 -3.598 25.636 1.00 2.76 C ATOM 1320 OG SER C 86 144.625 -4.659 24.956 1.00 3.40 O ATOM 0 H SER C 86 142.391 -1.566 26.036 1.00 2.19 H new ATOM 0 HA SER C 86 142.401 -3.944 24.155 1.00 2.39 H new ATOM 0 HB2 SER C 86 144.487 -2.657 25.458 1.00 2.76 H new ATOM 0 HB3 SER C 86 143.984 -3.774 26.712 1.00 2.76 H new ATOM 0 HG SER C 86 145.551 -4.723 25.269 1.00 3.40 H new ATOM 1326 N ASP C 87 140.363 -3.799 26.207 1.00 2.76 N ATOM 1327 CA ASP C 87 139.399 -4.485 27.114 1.00 3.26 C ATOM 1328 C ASP C 87 138.566 -5.503 26.328 1.00 3.51 C ATOM 1329 O ASP C 87 138.573 -6.681 26.624 1.00 4.07 O ATOM 1330 CB ASP C 87 138.509 -3.369 27.661 1.00 3.70 C ATOM 1331 CG ASP C 87 137.868 -3.823 28.974 1.00 4.19 C ATOM 1332 OD1 ASP C 87 137.145 -4.805 28.949 1.00 4.61 O ATOM 1333 OD2 ASP C 87 138.112 -3.181 29.983 1.00 4.55 O ATOM 1334 OXT ASP C 87 137.851 -5.056 25.331 1.00 3.62 O ATOM 0 H ASP C 87 139.993 -2.986 25.715 1.00 2.76 H new ATOM 0 HA ASP C 87 139.900 -5.034 27.911 1.00 3.26 H new ATOM 0 HB2 ASP C 87 139.098 -2.467 27.825 1.00 3.70 H new ATOM 0 HB3 ASP C 87 137.736 -3.117 26.935 1.00 3.70 H new TER 1339 ASP C 87 ATOM 1340 N MET I 1 172.507 13.601 -21.241 1.00 23.41 N ATOM 1341 CA MET I 1 172.229 12.994 -19.906 1.00 23.35 C ATOM 1342 C MET I 1 173.540 12.731 -19.160 1.00 22.85 C ATOM 1343 O MET I 1 173.556 12.546 -17.960 1.00 23.07 O ATOM 1344 CB MET I 1 171.513 11.679 -20.212 1.00 23.50 C ATOM 1345 CG MET I 1 171.477 10.810 -18.954 1.00 23.67 C ATOM 1346 SD MET I 1 170.723 11.741 -17.598 1.00 23.83 S ATOM 1347 CE MET I 1 169.344 10.611 -17.286 1.00 23.96 C ATOM 0 H1 MET I 1 171.610 13.868 -21.695 1.00 23.41 H new ATOM 0 H2 MET I 1 173.100 14.447 -21.121 1.00 23.41 H new ATOM 0 H3 MET I 1 173.005 12.911 -21.839 1.00 23.41 H new ATOM 0 HA MET I 1 171.630 13.647 -19.272 1.00 23.35 H new ATOM 0 HB2 MET I 1 170.499 11.877 -20.558 1.00 23.50 H new ATOM 0 HB3 MET I 1 172.027 11.152 -21.016 1.00 23.50 H new ATOM 0 HG2 MET I 1 170.909 9.900 -19.144 1.00 23.67 H new ATOM 0 HG3 MET I 1 172.487 10.504 -18.682 1.00 23.67 H new ATOM 0 HE1 MET I 1 168.734 10.998 -16.470 1.00 23.96 H new ATOM 0 HE2 MET I 1 168.734 10.524 -18.185 1.00 23.96 H new ATOM 0 HE3 MET I 1 169.732 9.629 -17.015 1.00 23.96 H new ATOM 1359 N GLU I 2 174.640 12.713 -19.862 1.00 22.28 N ATOM 1360 CA GLU I 2 175.948 12.460 -19.191 1.00 21.88 C ATOM 1361 C GLU I 2 176.168 13.472 -18.062 1.00 21.32 C ATOM 1362 O GLU I 2 176.965 13.257 -17.170 1.00 21.05 O ATOM 1363 CB GLU I 2 176.999 12.643 -20.287 1.00 21.94 C ATOM 1364 CG GLU I 2 176.760 13.971 -21.008 1.00 22.34 C ATOM 1365 CD GLU I 2 176.349 13.699 -22.456 1.00 22.46 C ATOM 1366 OE1 GLU I 2 177.049 12.951 -23.119 1.00 22.61 O ATOM 1367 OE2 GLU I 2 175.342 14.244 -22.878 1.00 22.50 O ATOM 0 H GLU I 2 174.690 12.862 -20.870 1.00 22.28 H new ATOM 0 HA GLU I 2 175.996 11.468 -18.742 1.00 21.88 H new ATOM 0 HB2 GLU I 2 177.999 12.628 -19.853 1.00 21.94 H new ATOM 0 HB3 GLU I 2 176.947 11.817 -20.997 1.00 21.94 H new ATOM 0 HG2 GLU I 2 175.981 14.539 -20.498 1.00 22.34 H new ATOM 0 HG3 GLU I 2 177.665 14.578 -20.984 1.00 22.34 H new ATOM 1374 N LEU I 3 175.469 14.573 -18.095 1.00 21.24 N ATOM 1375 CA LEU I 3 175.641 15.597 -17.025 1.00 20.82 C ATOM 1376 C LEU I 3 175.568 14.937 -15.645 1.00 20.37 C ATOM 1377 O LEU I 3 174.590 14.304 -15.298 1.00 20.49 O ATOM 1378 CB LEU I 3 174.478 16.571 -17.219 1.00 21.39 C ATOM 1379 CG LEU I 3 175.006 18.006 -17.193 1.00 21.57 C ATOM 1380 CD1 LEU I 3 174.405 18.794 -18.358 1.00 22.07 C ATOM 1381 CD2 LEU I 3 174.610 18.670 -15.872 1.00 21.86 C ATOM 0 H LEU I 3 174.787 14.808 -18.816 1.00 21.24 H new ATOM 0 HA LEU I 3 176.606 16.100 -17.084 1.00 20.82 H new ATOM 0 HB2 LEU I 3 173.978 16.373 -18.167 1.00 21.39 H new ATOM 0 HB3 LEU I 3 173.737 16.430 -16.432 1.00 21.39 H new ATOM 0 HG LEU I 3 176.092 17.994 -17.285 1.00 21.57 H new ATOM 0 HD11 LEU I 3 174.782 19.817 -18.338 1.00 22.07 H new ATOM 0 HD12 LEU I 3 174.685 18.322 -19.300 1.00 22.07 H new ATOM 0 HD13 LEU I 3 173.319 18.806 -18.267 1.00 22.07 H new ATOM 0 HD21 LEU I 3 174.986 19.693 -15.852 1.00 21.86 H new ATOM 0 HD22 LEU I 3 173.524 18.681 -15.781 1.00 21.86 H new ATOM 0 HD23 LEU I 3 175.038 18.110 -15.041 1.00 21.86 H new ATOM 1393 N SER I 4 176.598 15.078 -14.855 1.00 19.98 N ATOM 1394 CA SER I 4 176.590 14.458 -13.499 1.00 19.67 C ATOM 1395 C SER I 4 175.310 14.837 -12.750 1.00 19.02 C ATOM 1396 O SER I 4 175.176 15.935 -12.248 1.00 19.00 O ATOM 1397 CB SER I 4 177.815 15.036 -12.791 1.00 19.73 C ATOM 1398 OG SER I 4 178.036 16.365 -13.243 1.00 19.90 O ATOM 0 H SER I 4 177.445 15.596 -15.090 1.00 19.98 H new ATOM 0 HA SER I 4 176.621 13.369 -13.544 1.00 19.67 H new ATOM 0 HB2 SER I 4 177.663 15.027 -11.712 1.00 19.73 H new ATOM 0 HB3 SER I 4 178.691 14.420 -12.994 1.00 19.73 H new ATOM 0 HG SER I 4 178.820 16.739 -12.789 1.00 19.90 H new ATOM 1404 N ARG I 5 174.370 13.936 -12.670 1.00 18.61 N ATOM 1405 CA ARG I 5 173.099 14.244 -11.953 1.00 18.09 C ATOM 1406 C ARG I 5 172.827 13.184 -10.882 1.00 17.32 C ATOM 1407 O ARG I 5 172.130 12.216 -11.117 1.00 17.33 O ATOM 1408 CB ARG I 5 172.016 14.208 -13.032 1.00 18.41 C ATOM 1409 CG ARG I 5 171.135 15.454 -12.917 1.00 18.62 C ATOM 1410 CD ARG I 5 171.996 16.707 -13.088 1.00 18.91 C ATOM 1411 NE ARG I 5 172.222 17.210 -11.704 1.00 19.24 N ATOM 1412 CZ ARG I 5 173.421 17.564 -11.326 1.00 19.81 C ATOM 1413 NH1 ARG I 5 174.066 18.489 -11.982 1.00 20.03 N ATOM 1414 NH2 ARG I 5 173.975 16.989 -10.293 1.00 20.28 N ATOM 0 H ARG I 5 174.426 12.999 -13.070 1.00 18.61 H new ATOM 0 HA ARG I 5 173.134 15.207 -11.444 1.00 18.09 H new ATOM 0 HB2 ARG I 5 172.474 14.164 -14.020 1.00 18.41 H new ATOM 0 HB3 ARG I 5 171.409 13.310 -12.922 1.00 18.41 H new ATOM 0 HG2 ARG I 5 170.353 15.431 -13.676 1.00 18.62 H new ATOM 0 HG3 ARG I 5 170.637 15.472 -11.948 1.00 18.62 H new ATOM 0 HD2 ARG I 5 172.939 16.474 -13.582 1.00 18.91 H new ATOM 0 HD3 ARG I 5 171.491 17.453 -13.702 1.00 18.91 H new ATOM 0 HE ARG I 5 171.441 17.278 -11.052 1.00 19.24 H new ATOM 0 HH11 ARG I 5 173.634 18.936 -12.791 1.00 20.03 H new ATOM 0 HH12 ARG I 5 175.002 18.765 -11.686 1.00 20.03 H new ATOM 0 HH21 ARG I 5 173.471 16.264 -9.782 1.00 20.28 H new ATOM 0 HH22 ARG I 5 174.911 17.265 -9.997 1.00 20.28 H new ATOM 1428 N GLY I 6 173.370 13.359 -9.708 1.00 16.77 N ATOM 1429 CA GLY I 6 173.141 12.362 -8.624 1.00 16.12 C ATOM 1430 C GLY I 6 172.638 13.077 -7.367 1.00 15.25 C ATOM 1431 O GLY I 6 172.462 12.473 -6.328 1.00 15.18 O ATOM 0 H GLY I 6 173.962 14.149 -9.453 1.00 16.77 H new ATOM 0 HA2 GLY I 6 172.413 11.618 -8.948 1.00 16.12 H new ATOM 0 HA3 GLY I 6 174.066 11.828 -8.406 1.00 16.12 H new ATOM 1435 N ALA I 7 172.406 14.359 -7.454 1.00 14.72 N ATOM 1436 CA ALA I 7 171.913 15.111 -6.264 1.00 13.98 C ATOM 1437 C ALA I 7 171.913 16.614 -6.555 1.00 13.34 C ATOM 1438 O ALA I 7 171.098 17.356 -6.043 1.00 13.14 O ATOM 1439 CB ALA I 7 172.902 14.781 -5.145 1.00 14.00 C ATOM 0 H ALA I 7 172.536 14.918 -8.297 1.00 14.72 H new ATOM 0 HA ALA I 7 170.892 14.838 -5.996 1.00 13.98 H new ATOM 0 HB1 ALA I 7 172.606 15.299 -4.233 1.00 14.00 H new ATOM 0 HB2 ALA I 7 172.904 13.706 -4.967 1.00 14.00 H new ATOM 0 HB3 ALA I 7 173.902 15.103 -5.437 1.00 14.00 H new ATOM 1445 N SER I 8 172.822 17.069 -7.374 1.00 13.19 N ATOM 1446 CA SER I 8 172.874 18.524 -7.699 1.00 12.76 C ATOM 1447 C SER I 8 171.889 18.848 -8.826 1.00 11.89 C ATOM 1448 O SER I 8 171.414 17.970 -9.519 1.00 12.01 O ATOM 1449 CB SER I 8 174.311 18.777 -8.152 1.00 13.49 C ATOM 1450 OG SER I 8 174.811 19.939 -7.502 1.00 13.82 O ATOM 0 H SER I 8 173.531 16.497 -7.832 1.00 13.19 H new ATOM 0 HA SER I 8 172.600 19.148 -6.849 1.00 12.76 H new ATOM 0 HB2 SER I 8 174.936 17.916 -7.915 1.00 13.49 H new ATOM 0 HB3 SER I 8 174.346 18.908 -9.234 1.00 13.49 H new ATOM 0 HG SER I 8 175.733 20.103 -7.789 1.00 13.82 H new ATOM 1456 N ALA I 9 171.577 20.101 -9.014 1.00 11.18 N ATOM 1457 CA ALA I 9 170.621 20.476 -10.096 1.00 10.47 C ATOM 1458 C ALA I 9 169.269 19.787 -9.867 1.00 9.91 C ATOM 1459 O ALA I 9 169.212 18.722 -9.287 1.00 9.70 O ATOM 1460 CB ALA I 9 171.269 19.975 -11.387 1.00 10.44 C ATOM 0 H ALA I 9 171.942 20.881 -8.467 1.00 11.18 H new ATOM 0 HA ALA I 9 170.429 21.549 -10.127 1.00 10.47 H new ATOM 0 HB1 ALA I 9 170.625 20.213 -12.234 1.00 10.44 H new ATOM 0 HB2 ALA I 9 172.237 20.459 -11.520 1.00 10.44 H new ATOM 0 HB3 ALA I 9 171.408 18.895 -11.329 1.00 10.44 H new ATOM 1466 N PRO I 10 168.219 20.421 -10.329 1.00 9.92 N ATOM 1467 CA PRO I 10 166.856 19.861 -10.167 1.00 9.68 C ATOM 1468 C PRO I 10 166.737 18.512 -10.884 1.00 8.80 C ATOM 1469 O PRO I 10 167.719 17.840 -11.129 1.00 8.80 O ATOM 1470 CB PRO I 10 165.974 20.919 -10.836 1.00 10.08 C ATOM 1471 CG PRO I 10 166.874 22.055 -11.360 1.00 10.55 C ATOM 1472 CD PRO I 10 168.335 21.720 -11.032 1.00 10.46 C ATOM 0 HA PRO I 10 166.584 19.668 -9.129 1.00 9.68 H new ATOM 0 HB2 PRO I 10 165.409 20.476 -11.656 1.00 10.08 H new ATOM 0 HB3 PRO I 10 165.248 21.311 -10.124 1.00 10.08 H new ATOM 0 HG2 PRO I 10 166.746 22.172 -12.436 1.00 10.55 H new ATOM 0 HG3 PRO I 10 166.592 23.002 -10.901 1.00 10.55 H new ATOM 0 HD2 PRO I 10 168.945 21.641 -11.932 1.00 10.46 H new ATOM 0 HD3 PRO I 10 168.794 22.482 -10.402 1.00 10.46 H new ATOM 1480 N ASP I 11 165.541 18.112 -11.219 1.00 8.28 N ATOM 1481 CA ASP I 11 165.358 16.807 -11.917 1.00 7.62 C ATOM 1482 C ASP I 11 166.241 15.732 -11.269 1.00 6.54 C ATOM 1483 O ASP I 11 167.093 15.160 -11.919 1.00 6.60 O ATOM 1484 CB ASP I 11 165.796 17.063 -13.359 1.00 8.20 C ATOM 1485 CG ASP I 11 164.973 16.187 -14.306 1.00 9.03 C ATOM 1486 OD1 ASP I 11 164.514 15.144 -13.869 1.00 9.63 O ATOM 1487 OD2 ASP I 11 164.816 16.573 -15.453 1.00 9.24 O ATOM 0 H ASP I 11 164.682 18.632 -11.040 1.00 8.28 H new ATOM 0 HA ASP I 11 164.330 16.450 -11.862 1.00 7.62 H new ATOM 0 HB2 ASP I 11 165.661 18.115 -13.610 1.00 8.20 H new ATOM 0 HB3 ASP I 11 166.857 16.842 -13.472 1.00 8.20 H new ATOM 1492 N PRO I 12 166.008 15.491 -10.002 1.00 5.77 N ATOM 1493 CA PRO I 12 166.793 14.475 -9.262 1.00 4.80 C ATOM 1494 C PRO I 12 166.600 13.089 -9.883 1.00 4.82 C ATOM 1495 O PRO I 12 165.688 12.866 -10.654 1.00 5.12 O ATOM 1496 CB PRO I 12 166.186 14.538 -7.857 1.00 4.40 C ATOM 1497 CG PRO I 12 165.066 15.597 -7.846 1.00 5.29 C ATOM 1498 CD PRO I 12 164.956 16.213 -9.247 1.00 6.11 C ATOM 0 HA PRO I 12 167.868 14.657 -9.275 1.00 4.80 H new ATOM 0 HB2 PRO I 12 165.787 13.564 -7.574 1.00 4.40 H new ATOM 0 HB3 PRO I 12 166.953 14.793 -7.126 1.00 4.40 H new ATOM 0 HG2 PRO I 12 164.118 15.142 -7.558 1.00 5.29 H new ATOM 0 HG3 PRO I 12 165.285 16.370 -7.110 1.00 5.29 H new ATOM 0 HD2 PRO I 12 163.968 16.059 -9.681 1.00 6.11 H new ATOM 0 HD3 PRO I 12 165.134 17.288 -9.232 1.00 6.11 H new ATOM 1506 N ASP I 13 167.451 12.156 -9.554 1.00 4.83 N ATOM 1507 CA ASP I 13 167.313 10.786 -10.126 1.00 5.18 C ATOM 1508 C ASP I 13 166.312 9.971 -9.303 1.00 4.48 C ATOM 1509 O ASP I 13 165.790 8.971 -9.755 1.00 5.00 O ATOM 1510 CB ASP I 13 168.711 10.174 -10.031 1.00 6.29 C ATOM 1511 CG ASP I 13 169.376 10.199 -11.409 1.00 7.05 C ATOM 1512 OD1 ASP I 13 169.427 11.265 -12.000 1.00 7.61 O ATOM 1513 OD2 ASP I 13 169.823 9.153 -11.849 1.00 7.30 O ATOM 0 H ASP I 13 168.235 12.283 -8.914 1.00 4.83 H new ATOM 0 HA ASP I 13 166.945 10.800 -11.152 1.00 5.18 H new ATOM 0 HB2 ASP I 13 169.315 10.731 -9.314 1.00 6.29 H new ATOM 0 HB3 ASP I 13 168.646 9.149 -9.666 1.00 6.29 H new ATOM 1518 N ASP I 14 166.040 10.392 -8.098 1.00 3.55 N ATOM 1519 CA ASP I 14 165.073 9.643 -7.246 1.00 3.27 C ATOM 1520 C ASP I 14 163.665 10.222 -7.411 1.00 2.18 C ATOM 1521 O ASP I 14 162.809 10.050 -6.566 1.00 2.32 O ATOM 1522 CB ASP I 14 165.569 9.843 -5.813 1.00 3.92 C ATOM 1523 CG ASP I 14 167.044 9.449 -5.722 1.00 4.75 C ATOM 1524 OD1 ASP I 14 167.316 8.264 -5.628 1.00 5.29 O ATOM 1525 OD2 ASP I 14 167.877 10.341 -5.746 1.00 5.16 O ATOM 0 H ASP I 14 166.446 11.222 -7.667 1.00 3.55 H new ATOM 0 HA ASP I 14 165.017 8.588 -7.515 1.00 3.27 H new ATOM 0 HB2 ASP I 14 165.441 10.884 -5.515 1.00 3.92 H new ATOM 0 HB3 ASP I 14 164.978 9.239 -5.125 1.00 3.92 H new ATOM 1530 N VAL I 15 163.419 10.909 -8.493 1.00 1.66 N ATOM 1531 CA VAL I 15 162.067 11.499 -8.709 1.00 1.10 C ATOM 1532 C VAL I 15 161.107 10.442 -9.262 1.00 1.01 C ATOM 1533 O VAL I 15 160.710 10.490 -10.410 1.00 1.69 O ATOM 1534 CB VAL I 15 162.280 12.615 -9.732 1.00 1.73 C ATOM 1535 CG1 VAL I 15 163.254 13.650 -9.166 1.00 2.52 C ATOM 1536 CG2 VAL I 15 162.859 12.023 -11.018 1.00 2.29 C ATOM 0 H VAL I 15 164.095 11.087 -9.236 1.00 1.66 H new ATOM 0 HA VAL I 15 161.629 11.871 -7.783 1.00 1.10 H new ATOM 0 HB VAL I 15 161.326 13.095 -9.948 1.00 1.73 H new ATOM 0 HG11 VAL I 15 163.405 14.445 -9.896 1.00 2.52 H new ATOM 0 HG12 VAL I 15 162.843 14.073 -8.249 1.00 2.52 H new ATOM 0 HG13 VAL I 15 164.209 13.171 -8.949 1.00 2.52 H new ATOM 0 HG21 VAL I 15 163.011 12.818 -11.748 1.00 2.29 H new ATOM 0 HG22 VAL I 15 163.813 11.543 -10.800 1.00 2.29 H new ATOM 0 HG23 VAL I 15 162.166 11.286 -11.423 1.00 2.29 H new ATOM 1546 N ARG I 16 160.730 9.487 -8.456 1.00 0.88 N ATOM 1547 CA ARG I 16 159.795 8.431 -8.939 1.00 0.73 C ATOM 1548 C ARG I 16 160.443 7.627 -10.073 1.00 0.70 C ATOM 1549 O ARG I 16 159.961 7.639 -11.188 1.00 0.68 O ATOM 1550 CB ARG I 16 158.573 9.193 -9.454 1.00 0.75 C ATOM 1551 CG ARG I 16 157.367 8.889 -8.564 1.00 0.81 C ATOM 1552 CD ARG I 16 156.569 10.175 -8.332 1.00 1.26 C ATOM 1553 NE ARG I 16 157.192 10.802 -7.133 1.00 1.48 N ATOM 1554 CZ ARG I 16 157.188 12.100 -7.000 1.00 1.81 C ATOM 1555 NH1 ARG I 16 156.072 12.726 -6.743 1.00 2.11 N ATOM 1556 NH2 ARG I 16 158.299 12.773 -7.125 1.00 2.49 N ATOM 0 H ARG I 16 161.028 9.392 -7.485 1.00 0.88 H new ATOM 0 HA ARG I 16 159.534 7.720 -8.155 1.00 0.73 H new ATOM 0 HB2 ARG I 16 158.775 10.264 -9.457 1.00 0.75 H new ATOM 0 HB3 ARG I 16 158.360 8.906 -10.484 1.00 0.75 H new ATOM 0 HG2 ARG I 16 156.735 8.136 -9.034 1.00 0.81 H new ATOM 0 HG3 ARG I 16 157.699 8.477 -7.611 1.00 0.81 H new ATOM 0 HD2 ARG I 16 156.624 10.836 -9.197 1.00 1.26 H new ATOM 0 HD3 ARG I 16 155.514 9.960 -8.162 1.00 1.26 H new ATOM 0 HE ARG I 16 157.622 10.217 -6.416 1.00 1.48 H new ATOM 0 HH11 ARG I 16 155.203 12.201 -6.646 1.00 2.11 H new ATOM 0 HH12 ARG I 16 156.069 13.741 -6.639 1.00 2.11 H new ATOM 0 HH21 ARG I 16 159.171 12.284 -7.327 1.00 2.49 H new ATOM 0 HH22 ARG I 16 158.295 13.788 -7.021 1.00 2.49 H new ATOM 1570 N PRO I 17 161.521 6.953 -9.754 1.00 0.78 N ATOM 1571 CA PRO I 17 162.240 6.138 -10.763 1.00 0.88 C ATOM 1572 C PRO I 17 161.354 4.994 -11.272 1.00 0.78 C ATOM 1573 O PRO I 17 161.705 3.836 -11.171 1.00 0.87 O ATOM 1574 CB PRO I 17 163.432 5.594 -9.968 1.00 1.04 C ATOM 1575 CG PRO I 17 163.346 6.121 -8.522 1.00 1.04 C ATOM 1576 CD PRO I 17 162.078 6.972 -8.381 1.00 0.89 C ATOM 0 HA PRO I 17 162.531 6.701 -11.650 1.00 0.88 H new ATOM 0 HB2 PRO I 17 163.424 4.504 -9.974 1.00 1.04 H new ATOM 0 HB3 PRO I 17 164.368 5.908 -10.429 1.00 1.04 H new ATOM 0 HG2 PRO I 17 163.323 5.289 -7.818 1.00 1.04 H new ATOM 0 HG3 PRO I 17 164.228 6.716 -8.284 1.00 1.04 H new ATOM 0 HD2 PRO I 17 161.384 6.547 -7.656 1.00 0.89 H new ATOM 0 HD3 PRO I 17 162.305 7.985 -8.050 1.00 0.89 H new ATOM 1584 N LEU I 18 160.213 5.311 -11.821 1.00 0.68 N ATOM 1585 CA LEU I 18 159.307 4.243 -12.340 1.00 0.64 C ATOM 1586 C LEU I 18 158.946 3.258 -11.223 1.00 0.60 C ATOM 1587 O LEU I 18 159.800 2.610 -10.651 1.00 0.78 O ATOM 1588 CB LEU I 18 160.109 3.542 -13.437 1.00 0.82 C ATOM 1589 CG LEU I 18 159.896 4.267 -14.767 1.00 1.17 C ATOM 1590 CD1 LEU I 18 160.901 3.749 -15.798 1.00 1.81 C ATOM 1591 CD2 LEU I 18 158.474 4.007 -15.268 1.00 1.40 C ATOM 0 H LEU I 18 159.867 6.264 -11.933 1.00 0.68 H new ATOM 0 HA LEU I 18 158.368 4.648 -12.717 1.00 0.64 H new ATOM 0 HB2 LEU I 18 161.168 3.535 -13.180 1.00 0.82 H new ATOM 0 HB3 LEU I 18 159.795 2.502 -13.523 1.00 0.82 H new ATOM 0 HG LEU I 18 160.041 5.338 -14.623 1.00 1.17 H new ATOM 0 HD11 LEU I 18 160.749 4.266 -16.746 1.00 1.81 H new ATOM 0 HD12 LEU I 18 161.915 3.934 -15.443 1.00 1.81 H new ATOM 0 HD13 LEU I 18 160.756 2.678 -15.941 1.00 1.81 H new ATOM 0 HD21 LEU I 18 158.322 4.524 -16.216 1.00 1.40 H new ATOM 0 HD22 LEU I 18 158.329 2.936 -15.411 1.00 1.40 H new ATOM 0 HD23 LEU I 18 157.757 4.376 -14.535 1.00 1.40 H new ATOM 1603 N LYS I 19 157.685 3.139 -10.911 1.00 0.58 N ATOM 1604 CA LYS I 19 157.266 2.196 -9.833 1.00 0.54 C ATOM 1605 C LYS I 19 156.439 1.048 -10.426 1.00 0.51 C ATOM 1606 O LYS I 19 155.231 1.145 -10.525 1.00 0.53 O ATOM 1607 CB LYS I 19 156.411 3.038 -8.884 1.00 0.58 C ATOM 1608 CG LYS I 19 156.920 2.873 -7.451 1.00 0.81 C ATOM 1609 CD LYS I 19 157.465 4.210 -6.945 1.00 1.13 C ATOM 1610 CE LYS I 19 158.931 4.044 -6.541 1.00 1.60 C ATOM 1611 NZ LYS I 19 158.892 3.285 -5.260 1.00 2.20 N ATOM 0 H LYS I 19 156.925 3.654 -11.356 1.00 0.58 H new ATOM 0 HA LYS I 19 158.117 1.744 -9.324 1.00 0.54 H new ATOM 0 HB2 LYS I 19 156.451 4.087 -9.176 1.00 0.58 H new ATOM 0 HB3 LYS I 19 155.368 2.729 -8.948 1.00 0.58 H new ATOM 0 HG2 LYS I 19 156.113 2.529 -6.804 1.00 0.81 H new ATOM 0 HG3 LYS I 19 157.701 2.113 -7.417 1.00 0.81 H new ATOM 0 HD2 LYS I 19 157.375 4.969 -7.722 1.00 1.13 H new ATOM 0 HD3 LYS I 19 156.879 4.555 -6.093 1.00 1.13 H new ATOM 0 HE2 LYS I 19 159.492 3.504 -7.303 1.00 1.60 H new ATOM 0 HE3 LYS I 19 159.417 5.011 -6.413 1.00 1.60 H new ATOM 0 HZ1 LYS I 19 159.847 3.248 -4.849 1.00 2.20 H new ATOM 0 HZ2 LYS I 19 158.247 3.758 -4.596 1.00 2.20 H new ATOM 0 HZ3 LYS I 19 158.555 2.318 -5.440 1.00 2.20 H new ATOM 1625 N PRO I 20 157.117 -0.010 -10.801 1.00 0.52 N ATOM 1626 CA PRO I 20 156.434 -1.188 -11.386 1.00 0.54 C ATOM 1627 C PRO I 20 155.474 -1.809 -10.366 1.00 0.58 C ATOM 1628 O PRO I 20 155.810 -2.750 -9.675 1.00 1.10 O ATOM 1629 CB PRO I 20 157.599 -2.134 -11.694 1.00 0.59 C ATOM 1630 CG PRO I 20 158.915 -1.454 -11.272 1.00 0.61 C ATOM 1631 CD PRO I 20 158.591 -0.082 -10.665 1.00 0.56 C ATOM 0 HA PRO I 20 155.828 -0.956 -12.262 1.00 0.54 H new ATOM 0 HB2 PRO I 20 157.472 -3.075 -11.159 1.00 0.59 H new ATOM 0 HB3 PRO I 20 157.621 -2.372 -12.758 1.00 0.59 H new ATOM 0 HG2 PRO I 20 159.443 -2.072 -10.546 1.00 0.61 H new ATOM 0 HG3 PRO I 20 159.574 -1.340 -12.133 1.00 0.61 H new ATOM 0 HD2 PRO I 20 158.906 -0.015 -9.624 1.00 0.56 H new ATOM 0 HD3 PRO I 20 159.088 0.726 -11.201 1.00 0.56 H new ATOM 1639 N CYS I 21 154.283 -1.285 -10.266 1.00 0.52 N ATOM 1640 CA CYS I 21 153.304 -1.842 -9.289 1.00 0.51 C ATOM 1641 C CYS I 21 152.513 -2.989 -9.922 1.00 0.49 C ATOM 1642 O CYS I 21 152.439 -3.115 -11.128 1.00 0.68 O ATOM 1643 CB CYS I 21 152.375 -0.676 -8.953 1.00 0.49 C ATOM 1644 SG CYS I 21 152.984 0.175 -7.476 1.00 0.75 S ATOM 0 H CYS I 21 153.946 -0.496 -10.818 1.00 0.52 H new ATOM 0 HA CYS I 21 153.793 -2.246 -8.403 1.00 0.51 H new ATOM 0 HB2 CYS I 21 152.327 0.018 -9.792 1.00 0.49 H new ATOM 0 HB3 CYS I 21 151.362 -1.041 -8.784 1.00 0.49 H new ATOM 0 HG CYS I 21 152.010 0.321 -6.627 1.00 0.75 H new ATOM 1650 N LEU I 22 151.917 -3.824 -9.115 1.00 0.40 N ATOM 1651 CA LEU I 22 151.127 -4.961 -9.668 1.00 0.40 C ATOM 1652 C LEU I 22 149.630 -4.667 -9.542 1.00 0.36 C ATOM 1653 O LEU I 22 149.048 -4.804 -8.485 1.00 0.50 O ATOM 1654 CB LEU I 22 151.514 -6.165 -8.810 1.00 0.43 C ATOM 1655 CG LEU I 22 153.034 -6.212 -8.653 1.00 0.45 C ATOM 1656 CD1 LEU I 22 153.412 -7.317 -7.666 1.00 0.53 C ATOM 1657 CD2 LEU I 22 153.678 -6.502 -10.012 1.00 0.49 C ATOM 0 H LEU I 22 151.943 -3.768 -8.097 1.00 0.40 H new ATOM 0 HA LEU I 22 151.330 -5.135 -10.725 1.00 0.40 H new ATOM 0 HB2 LEU I 22 151.039 -6.095 -7.832 1.00 0.43 H new ATOM 0 HB3 LEU I 22 151.157 -7.085 -9.273 1.00 0.43 H new ATOM 0 HG LEU I 22 153.390 -5.252 -8.278 1.00 0.45 H new ATOM 0 HD11 LEU I 22 154.496 -7.350 -7.554 1.00 0.53 H new ATOM 0 HD12 LEU I 22 152.954 -7.113 -6.698 1.00 0.53 H new ATOM 0 HD13 LEU I 22 153.056 -8.277 -8.041 1.00 0.53 H new ATOM 0 HD21 LEU I 22 154.762 -6.536 -9.901 1.00 0.49 H new ATOM 0 HD22 LEU I 22 153.321 -7.462 -10.386 1.00 0.49 H new ATOM 0 HD23 LEU I 22 153.410 -5.715 -10.717 1.00 0.49 H new ATOM 1669 N LEU I 23 149.004 -4.260 -10.612 1.00 0.30 N ATOM 1670 CA LEU I 23 147.546 -3.955 -10.550 1.00 0.28 C ATOM 1671 C LEU I 23 146.730 -5.248 -10.619 1.00 0.35 C ATOM 1672 O LEU I 23 147.095 -6.189 -11.295 1.00 0.53 O ATOM 1673 CB LEU I 23 147.272 -3.081 -11.775 1.00 0.37 C ATOM 1674 CG LEU I 23 147.220 -1.612 -11.353 1.00 0.46 C ATOM 1675 CD1 LEU I 23 146.064 -1.403 -10.373 1.00 0.53 C ATOM 1676 CD2 LEU I 23 148.538 -1.231 -10.675 1.00 0.49 C ATOM 0 H LEU I 23 149.438 -4.126 -11.525 1.00 0.30 H new ATOM 0 HA LEU I 23 147.268 -3.455 -9.622 1.00 0.28 H new ATOM 0 HB2 LEU I 23 148.052 -3.228 -12.522 1.00 0.37 H new ATOM 0 HB3 LEU I 23 146.329 -3.371 -12.238 1.00 0.37 H new ATOM 0 HG LEU I 23 147.068 -0.986 -12.232 1.00 0.46 H new ATOM 0 HD11 LEU I 23 146.027 -0.356 -10.072 1.00 0.53 H new ATOM 0 HD12 LEU I 23 145.125 -1.676 -10.855 1.00 0.53 H new ATOM 0 HD13 LEU I 23 146.215 -2.028 -9.493 1.00 0.53 H new ATOM 0 HD21 LEU I 23 148.503 -0.184 -10.374 1.00 0.49 H new ATOM 0 HD22 LEU I 23 148.689 -1.857 -9.796 1.00 0.49 H new ATOM 0 HD23 LEU I 23 149.362 -1.380 -11.372 1.00 0.49 H new ATOM 1688 N ARG I 24 145.628 -5.301 -9.922 1.00 0.29 N ATOM 1689 CA ARG I 24 144.789 -6.533 -9.946 1.00 0.43 C ATOM 1690 C ARG I 24 143.305 -6.161 -9.983 1.00 0.33 C ATOM 1691 O ARG I 24 142.865 -5.253 -9.305 1.00 0.40 O ATOM 1692 CB ARG I 24 145.126 -7.267 -8.648 1.00 0.60 C ATOM 1693 CG ARG I 24 144.202 -8.476 -8.490 1.00 0.90 C ATOM 1694 CD ARG I 24 142.962 -8.071 -7.688 1.00 0.64 C ATOM 1695 NE ARG I 24 143.269 -8.461 -6.284 1.00 0.90 N ATOM 1696 CZ ARG I 24 142.526 -9.345 -5.675 1.00 1.14 C ATOM 1697 NH1 ARG I 24 142.522 -10.585 -6.082 1.00 1.86 N ATOM 1698 NH2 ARG I 24 141.788 -8.989 -4.660 1.00 1.66 N ATOM 0 H ARG I 24 145.272 -4.545 -9.337 1.00 0.29 H new ATOM 0 HA ARG I 24 144.984 -7.149 -10.824 1.00 0.43 H new ATOM 0 HB2 ARG I 24 146.167 -7.591 -8.661 1.00 0.60 H new ATOM 0 HB3 ARG I 24 145.011 -6.595 -7.798 1.00 0.60 H new ATOM 0 HG2 ARG I 24 143.907 -8.852 -9.470 1.00 0.90 H new ATOM 0 HG3 ARG I 24 144.728 -9.285 -7.983 1.00 0.90 H new ATOM 0 HD2 ARG I 24 142.772 -7.001 -7.768 1.00 0.64 H new ATOM 0 HD3 ARG I 24 142.071 -8.581 -8.054 1.00 0.64 H new ATOM 0 HE ARG I 24 144.060 -8.038 -5.798 1.00 0.90 H new ATOM 0 HH11 ARG I 24 143.099 -10.863 -6.876 1.00 1.86 H new ATOM 0 HH12 ARG I 24 141.942 -11.276 -5.606 1.00 1.86 H new ATOM 0 HH21 ARG I 24 141.791 -8.020 -4.342 1.00 1.66 H new ATOM 0 HH22 ARG I 24 141.208 -9.680 -4.184 1.00 1.66 H new ATOM 1712 N ARG I 25 142.529 -6.855 -10.770 1.00 0.47 N ATOM 1713 CA ARG I 25 141.074 -6.540 -10.849 1.00 0.53 C ATOM 1714 C ARG I 25 140.258 -7.625 -10.140 1.00 0.73 C ATOM 1715 O ARG I 25 140.343 -8.792 -10.468 1.00 1.10 O ATOM 1716 CB ARG I 25 140.755 -6.519 -12.344 1.00 0.73 C ATOM 1717 CG ARG I 25 139.290 -6.129 -12.547 1.00 0.88 C ATOM 1718 CD ARG I 25 138.979 -6.066 -14.044 1.00 1.14 C ATOM 1719 NE ARG I 25 137.500 -6.210 -14.135 1.00 1.70 N ATOM 1720 CZ ARG I 25 136.927 -6.337 -15.300 1.00 2.21 C ATOM 1721 NH1 ARG I 25 136.688 -5.280 -16.027 1.00 2.82 N ATOM 1722 NH2 ARG I 25 136.593 -7.520 -15.738 1.00 2.69 N ATOM 0 H ARG I 25 142.839 -7.626 -11.361 1.00 0.47 H new ATOM 0 HA ARG I 25 140.829 -5.594 -10.367 1.00 0.53 H new ATOM 0 HB2 ARG I 25 141.406 -5.810 -12.856 1.00 0.73 H new ATOM 0 HB3 ARG I 25 140.946 -7.499 -12.781 1.00 0.73 H new ATOM 0 HG2 ARG I 25 138.639 -6.855 -12.060 1.00 0.88 H new ATOM 0 HG3 ARG I 25 139.093 -5.163 -12.083 1.00 0.88 H new ATOM 0 HD2 ARG I 25 139.311 -5.123 -14.477 1.00 1.14 H new ATOM 0 HD3 ARG I 25 139.488 -6.863 -14.587 1.00 1.14 H new ATOM 0 HE ARG I 25 136.935 -6.209 -13.286 1.00 1.70 H new ATOM 0 HH11 ARG I 25 136.949 -4.356 -15.684 1.00 2.82 H new ATOM 0 HH12 ARG I 25 136.240 -5.378 -16.938 1.00 2.82 H new ATOM 0 HH21 ARG I 25 136.780 -8.346 -15.169 1.00 2.69 H new ATOM 0 HH22 ARG I 25 136.145 -7.619 -16.649 1.00 2.69 H new ATOM 1736 N ASN I 26 139.469 -7.250 -9.170 1.00 0.79 N ATOM 1737 CA ASN I 26 138.650 -8.261 -8.443 1.00 1.02 C ATOM 1738 C ASN I 26 137.973 -9.207 -9.438 1.00 1.25 C ATOM 1739 O ASN I 26 137.910 -8.936 -10.621 1.00 1.67 O ATOM 1740 CB ASN I 26 137.604 -7.451 -7.677 1.00 1.24 C ATOM 1741 CG ASN I 26 136.999 -8.316 -6.569 1.00 2.16 C ATOM 1742 OD1 ASN I 26 137.584 -8.470 -5.515 1.00 2.99 O ATOM 1743 ND2 ASN I 26 135.844 -8.891 -6.765 1.00 2.56 N ATOM 0 H ASN I 26 139.356 -6.288 -8.850 1.00 0.79 H new ATOM 0 HA ASN I 26 139.253 -8.878 -7.777 1.00 1.02 H new ATOM 0 HB2 ASN I 26 138.062 -6.560 -7.248 1.00 1.24 H new ATOM 0 HB3 ASN I 26 136.822 -7.112 -8.356 1.00 1.24 H new ATOM 0 HD21 ASN I 26 135.432 -9.470 -6.033 1.00 2.56 H new ATOM 0 HD22 ASN I 26 135.353 -8.761 -7.650 1.00 2.56 H new ATOM 1750 N HIS I 27 137.467 -10.315 -8.969 1.00 1.76 N ATOM 1751 CA HIS I 27 136.796 -11.276 -9.891 1.00 2.18 C ATOM 1752 C HIS I 27 137.812 -11.858 -10.878 1.00 1.93 C ATOM 1753 O HIS I 27 137.458 -12.536 -11.821 1.00 1.93 O ATOM 1754 CB HIS I 27 135.744 -10.448 -10.630 1.00 2.63 C ATOM 1755 CG HIS I 27 134.373 -10.975 -10.308 1.00 2.78 C ATOM 1756 ND1 HIS I 27 133.675 -11.798 -11.177 1.00 3.19 N ATOM 1757 CD2 HIS I 27 133.557 -10.804 -9.217 1.00 2.87 C ATOM 1758 CE1 HIS I 27 132.495 -12.090 -10.600 1.00 3.33 C ATOM 1759 NE2 HIS I 27 132.372 -11.509 -9.403 1.00 3.18 N ATOM 0 H HIS I 27 137.489 -10.596 -7.989 1.00 1.76 H new ATOM 0 HA HIS I 27 136.352 -12.117 -9.359 1.00 2.18 H new ATOM 0 HB2 HIS I 27 135.820 -9.400 -10.339 1.00 2.63 H new ATOM 0 HB3 HIS I 27 135.919 -10.493 -11.705 1.00 2.63 H new ATOM 0 HD2 HIS I 27 133.798 -10.212 -8.347 1.00 2.87 H new ATOM 0 HE1 HIS I 27 131.740 -12.717 -11.049 1.00 3.33 H new ATOM 0 HE2 HIS I 27 131.580 -11.569 -8.763 1.00 3.18 H new ATOM 1767 N SER I 28 139.074 -11.598 -10.666 1.00 1.84 N ATOM 1768 CA SER I 28 140.112 -12.137 -11.591 1.00 1.67 C ATOM 1769 C SER I 28 141.480 -12.145 -10.902 1.00 1.45 C ATOM 1770 O SER I 28 142.206 -11.171 -10.929 1.00 1.66 O ATOM 1771 CB SER I 28 140.118 -11.178 -12.781 1.00 1.62 C ATOM 1772 OG SER I 28 139.590 -11.842 -13.922 1.00 1.95 O ATOM 0 H SER I 28 139.431 -11.036 -9.893 1.00 1.84 H new ATOM 0 HA SER I 28 139.903 -13.163 -11.895 1.00 1.67 H new ATOM 0 HB2 SER I 28 139.523 -10.294 -12.553 1.00 1.62 H new ATOM 0 HB3 SER I 28 141.133 -10.836 -12.982 1.00 1.62 H new ATOM 0 HG SER I 28 138.752 -12.290 -13.681 1.00 1.95 H new ATOM 1778 N ARG I 29 141.836 -13.238 -10.284 1.00 1.36 N ATOM 1779 CA ARG I 29 143.156 -13.308 -9.593 1.00 1.30 C ATOM 1780 C ARG I 29 144.293 -13.181 -10.609 1.00 1.17 C ATOM 1781 O ARG I 29 145.000 -14.130 -10.886 1.00 1.71 O ATOM 1782 CB ARG I 29 143.181 -14.684 -8.928 1.00 1.54 C ATOM 1783 CG ARG I 29 142.758 -14.550 -7.464 1.00 1.49 C ATOM 1784 CD ARG I 29 143.999 -14.381 -6.587 1.00 2.10 C ATOM 1785 NE ARG I 29 143.876 -15.433 -5.540 1.00 2.25 N ATOM 1786 CZ ARG I 29 143.168 -15.205 -4.468 1.00 2.77 C ATOM 1787 NH1 ARG I 29 143.540 -14.282 -3.624 1.00 3.32 N ATOM 1788 NH2 ARG I 29 142.087 -15.900 -4.240 1.00 3.30 N ATOM 0 H ARG I 29 141.271 -14.085 -10.227 1.00 1.36 H new ATOM 0 HA ARG I 29 143.287 -12.503 -8.870 1.00 1.30 H new ATOM 0 HB2 ARG I 29 142.509 -15.365 -9.451 1.00 1.54 H new ATOM 0 HB3 ARG I 29 144.181 -15.112 -8.991 1.00 1.54 H new ATOM 0 HG2 ARG I 29 142.095 -13.693 -7.343 1.00 1.49 H new ATOM 0 HG3 ARG I 29 142.198 -15.432 -7.154 1.00 1.49 H new ATOM 0 HD2 ARG I 29 144.913 -14.507 -7.168 1.00 2.10 H new ATOM 0 HD3 ARG I 29 144.037 -13.386 -6.144 1.00 2.10 H new ATOM 0 HE ARG I 29 144.345 -16.331 -5.661 1.00 2.25 H new ATOM 0 HH11 ARG I 29 144.385 -13.738 -3.802 1.00 3.32 H new ATOM 0 HH12 ARG I 29 142.986 -14.104 -2.786 1.00 3.32 H new ATOM 0 HH21 ARG I 29 141.796 -16.621 -4.900 1.00 3.30 H new ATOM 0 HH22 ARG I 29 141.533 -15.722 -3.402 1.00 3.30 H new ATOM 1802 N ASP I 30 144.476 -12.016 -11.167 1.00 0.86 N ATOM 1803 CA ASP I 30 145.569 -11.829 -12.164 1.00 0.86 C ATOM 1804 C ASP I 30 146.259 -10.481 -11.945 1.00 0.74 C ATOM 1805 O ASP I 30 145.676 -9.434 -12.143 1.00 0.87 O ATOM 1806 CB ASP I 30 144.872 -11.861 -13.525 1.00 1.08 C ATOM 1807 CG ASP I 30 145.512 -12.938 -14.402 1.00 1.42 C ATOM 1808 OD1 ASP I 30 145.362 -14.104 -14.079 1.00 2.03 O ATOM 1809 OD2 ASP I 30 146.141 -12.578 -15.384 1.00 1.84 O ATOM 0 H ASP I 30 143.916 -11.185 -10.976 1.00 0.86 H new ATOM 0 HA ASP I 30 146.339 -12.596 -12.082 1.00 0.86 H new ATOM 0 HB2 ASP I 30 143.809 -12.066 -13.396 1.00 1.08 H new ATOM 0 HB3 ASP I 30 144.952 -10.888 -14.009 1.00 1.08 H new ATOM 1814 N GLN I 31 147.499 -10.498 -11.537 1.00 0.65 N ATOM 1815 CA GLN I 31 148.225 -9.217 -11.305 1.00 0.55 C ATOM 1816 C GLN I 31 148.954 -8.784 -12.579 1.00 0.52 C ATOM 1817 O GLN I 31 149.333 -9.599 -13.397 1.00 0.85 O ATOM 1818 CB GLN I 31 149.228 -9.527 -10.193 1.00 0.66 C ATOM 1819 CG GLN I 31 148.796 -8.825 -8.904 1.00 0.71 C ATOM 1820 CD GLN I 31 148.858 -9.814 -7.739 1.00 1.17 C ATOM 1821 OE1 GLN I 31 149.679 -10.710 -7.731 1.00 1.95 O ATOM 1822 NE2 GLN I 31 148.019 -9.689 -6.747 1.00 1.58 N ATOM 0 H GLN I 31 148.040 -11.343 -11.354 1.00 0.65 H new ATOM 0 HA GLN I 31 147.552 -8.404 -11.033 1.00 0.55 H new ATOM 0 HB2 GLN I 31 149.286 -10.603 -10.031 1.00 0.66 H new ATOM 0 HB3 GLN I 31 150.224 -9.194 -10.484 1.00 0.66 H new ATOM 0 HG2 GLN I 31 149.446 -7.973 -8.706 1.00 0.71 H new ATOM 0 HG3 GLN I 31 147.783 -8.436 -9.011 1.00 0.71 H new ATOM 0 HE21 GLN I 31 147.330 -8.937 -6.754 1.00 1.58 H new ATOM 0 HE22 GLN I 31 148.052 -10.343 -5.965 1.00 1.58 H new ATOM 1831 N HIS I 32 149.154 -7.506 -12.754 1.00 0.55 N ATOM 1832 CA HIS I 32 149.859 -7.022 -13.975 1.00 0.55 C ATOM 1833 C HIS I 32 150.984 -6.057 -13.588 1.00 0.53 C ATOM 1834 O HIS I 32 150.763 -5.067 -12.919 1.00 0.59 O ATOM 1835 CB HIS I 32 148.788 -6.296 -14.791 1.00 0.64 C ATOM 1836 CG HIS I 32 147.579 -7.180 -14.932 1.00 0.71 C ATOM 1837 ND1 HIS I 32 147.382 -7.991 -16.038 1.00 1.37 N ATOM 1838 CD2 HIS I 32 146.495 -7.388 -14.117 1.00 0.70 C ATOM 1839 CE1 HIS I 32 146.219 -8.645 -15.860 1.00 1.77 C ATOM 1840 NE2 HIS I 32 145.637 -8.314 -14.704 1.00 1.34 N ATOM 0 H HIS I 32 148.860 -6.777 -12.105 1.00 0.55 H new ATOM 0 HA HIS I 32 150.317 -7.836 -14.537 1.00 0.55 H new ATOM 0 HB2 HIS I 32 148.513 -5.362 -14.301 1.00 0.64 H new ATOM 0 HB3 HIS I 32 149.179 -6.037 -15.775 1.00 0.64 H new ATOM 0 HD2 HIS I 32 146.332 -6.906 -13.164 1.00 0.70 H new ATOM 0 HE1 HIS I 32 145.807 -9.351 -16.566 1.00 1.77 H new ATOM 0 HE2 HIS I 32 144.754 -8.664 -14.332 1.00 1.34 H new ATOM 1848 N GLY I 33 152.189 -6.339 -14.003 1.00 0.57 N ATOM 1849 CA GLY I 33 153.325 -5.438 -13.658 1.00 0.60 C ATOM 1850 C GLY I 33 153.233 -4.158 -14.491 1.00 0.56 C ATOM 1851 O GLY I 33 153.315 -4.188 -15.703 1.00 0.69 O ATOM 0 H GLY I 33 152.436 -7.153 -14.565 1.00 0.57 H new ATOM 0 HA2 GLY I 33 153.301 -5.196 -12.596 1.00 0.60 H new ATOM 0 HA3 GLY I 33 154.273 -5.941 -13.849 1.00 0.60 H new ATOM 1855 N VAL I 34 153.061 -3.033 -13.852 1.00 0.49 N ATOM 1856 CA VAL I 34 152.963 -1.754 -14.611 1.00 0.50 C ATOM 1857 C VAL I 34 153.999 -0.749 -14.099 1.00 0.56 C ATOM 1858 O VAL I 34 153.990 -0.363 -12.947 1.00 1.01 O ATOM 1859 CB VAL I 34 151.543 -1.247 -14.352 1.00 0.50 C ATOM 1860 CG1 VAL I 34 150.551 -2.399 -14.520 1.00 0.46 C ATOM 1861 CG2 VAL I 34 151.446 -0.700 -12.925 1.00 0.59 C ATOM 0 H VAL I 34 152.984 -2.944 -12.839 1.00 0.49 H new ATOM 0 HA VAL I 34 153.158 -1.890 -15.675 1.00 0.50 H new ATOM 0 HB VAL I 34 151.308 -0.455 -15.063 1.00 0.50 H new ATOM 0 HG11 VAL I 34 149.539 -2.038 -14.335 1.00 0.46 H new ATOM 0 HG12 VAL I 34 150.617 -2.791 -15.535 1.00 0.46 H new ATOM 0 HG13 VAL I 34 150.789 -3.191 -13.809 1.00 0.46 H new ATOM 0 HG21 VAL I 34 150.434 -0.339 -12.742 1.00 0.59 H new ATOM 0 HG22 VAL I 34 151.683 -1.492 -12.215 1.00 0.59 H new ATOM 0 HG23 VAL I 34 152.152 0.121 -12.801 1.00 0.59 H new ATOM 1871 N ALA I 35 154.892 -0.321 -14.948 1.00 0.48 N ATOM 1872 CA ALA I 35 155.927 0.660 -14.513 1.00 0.48 C ATOM 1873 C ALA I 35 155.365 2.082 -14.574 1.00 0.43 C ATOM 1874 O ALA I 35 155.212 2.654 -15.636 1.00 0.54 O ATOM 1875 CB ALA I 35 157.075 0.494 -15.509 1.00 0.57 C ATOM 0 H ALA I 35 154.950 -0.608 -15.925 1.00 0.48 H new ATOM 0 HA ALA I 35 156.251 0.490 -13.486 1.00 0.48 H new ATOM 0 HB1 ALA I 35 157.879 1.185 -15.256 1.00 0.57 H new ATOM 0 HB2 ALA I 35 157.448 -0.529 -15.467 1.00 0.57 H new ATOM 0 HB3 ALA I 35 156.717 0.708 -16.516 1.00 0.57 H new ATOM 1881 N ALA I 36 155.054 2.657 -13.445 1.00 0.39 N ATOM 1882 CA ALA I 36 154.500 4.042 -13.445 1.00 0.39 C ATOM 1883 C ALA I 36 155.120 4.861 -12.310 1.00 0.42 C ATOM 1884 O ALA I 36 155.218 4.409 -11.187 1.00 0.52 O ATOM 1885 CB ALA I 36 152.998 3.868 -13.223 1.00 0.38 C ATOM 0 H ALA I 36 155.159 2.230 -12.525 1.00 0.39 H new ATOM 0 HA ALA I 36 154.716 4.573 -14.372 1.00 0.39 H new ATOM 0 HB1 ALA I 36 152.516 4.846 -13.210 1.00 0.38 H new ATOM 0 HB2 ALA I 36 152.578 3.267 -14.030 1.00 0.38 H new ATOM 0 HB3 ALA I 36 152.827 3.367 -12.270 1.00 0.38 H new ATOM 1891 N SER I 37 155.536 6.064 -12.595 1.00 0.44 N ATOM 1892 CA SER I 37 156.147 6.913 -11.532 1.00 0.50 C ATOM 1893 C SER I 37 155.053 7.650 -10.754 1.00 0.51 C ATOM 1894 O SER I 37 154.774 7.340 -9.613 1.00 0.59 O ATOM 1895 CB SER I 37 157.037 7.904 -12.284 1.00 0.58 C ATOM 1896 OG SER I 37 156.774 9.222 -11.821 1.00 1.27 O ATOM 0 H SER I 37 155.480 6.496 -13.517 1.00 0.44 H new ATOM 0 HA SER I 37 156.712 6.329 -10.806 1.00 0.50 H new ATOM 0 HB2 SER I 37 158.087 7.656 -12.130 1.00 0.58 H new ATOM 0 HB3 SER I 37 156.848 7.839 -13.355 1.00 0.58 H new ATOM 0 HG SER I 37 157.345 9.857 -12.301 1.00 1.27 H new ATOM 1902 N SER I 38 154.430 8.620 -11.364 1.00 0.54 N ATOM 1903 CA SER I 38 153.354 9.375 -10.660 1.00 0.62 C ATOM 1904 C SER I 38 152.026 8.619 -10.765 1.00 0.56 C ATOM 1905 O SER I 38 151.792 7.885 -11.705 1.00 0.52 O ATOM 1906 CB SER I 38 153.269 10.713 -11.391 1.00 0.74 C ATOM 1907 OG SER I 38 152.570 11.648 -10.581 1.00 1.47 O ATOM 0 H SER I 38 154.619 8.923 -12.319 1.00 0.54 H new ATOM 0 HA SER I 38 153.563 9.504 -9.598 1.00 0.62 H new ATOM 0 HB2 SER I 38 154.270 11.083 -11.613 1.00 0.74 H new ATOM 0 HB3 SER I 38 152.757 10.587 -12.345 1.00 0.74 H new ATOM 0 HG SER I 38 152.516 12.508 -11.047 1.00 1.47 H new ATOM 1913 N LEU I 39 151.154 8.792 -9.809 1.00 0.69 N ATOM 1914 CA LEU I 39 149.845 8.081 -9.861 1.00 0.70 C ATOM 1915 C LEU I 39 149.262 8.155 -11.272 1.00 0.64 C ATOM 1916 O LEU I 39 148.898 7.156 -11.856 1.00 0.63 O ATOM 1917 CB LEU I 39 148.946 8.823 -8.872 1.00 0.95 C ATOM 1918 CG LEU I 39 147.971 7.837 -8.227 1.00 0.89 C ATOM 1919 CD1 LEU I 39 146.887 8.608 -7.473 1.00 1.18 C ATOM 1920 CD2 LEU I 39 147.320 6.979 -9.315 1.00 1.32 C ATOM 0 H LEU I 39 151.291 9.393 -8.996 1.00 0.69 H new ATOM 0 HA LEU I 39 149.940 7.025 -9.609 1.00 0.70 H new ATOM 0 HB2 LEU I 39 149.552 9.305 -8.105 1.00 0.95 H new ATOM 0 HB3 LEU I 39 148.396 9.611 -9.386 1.00 0.95 H new ATOM 0 HG LEU I 39 148.512 7.196 -7.531 1.00 0.89 H new ATOM 0 HD11 LEU I 39 146.193 7.904 -7.014 1.00 1.18 H new ATOM 0 HD12 LEU I 39 147.348 9.221 -6.698 1.00 1.18 H new ATOM 0 HD13 LEU I 39 146.346 9.250 -8.169 1.00 1.18 H new ATOM 0 HD21 LEU I 39 146.625 6.276 -8.856 1.00 1.32 H new ATOM 0 HD22 LEU I 39 146.780 7.621 -10.011 1.00 1.32 H new ATOM 0 HD23 LEU I 39 148.091 6.428 -9.854 1.00 1.32 H new ATOM 1932 N GLU I 40 149.171 9.333 -11.824 1.00 0.70 N ATOM 1933 CA GLU I 40 148.611 9.470 -13.199 1.00 0.76 C ATOM 1934 C GLU I 40 149.159 8.365 -14.106 1.00 0.65 C ATOM 1935 O GLU I 40 148.436 7.764 -14.875 1.00 0.75 O ATOM 1936 CB GLU I 40 149.082 10.842 -13.682 1.00 0.91 C ATOM 1937 CG GLU I 40 147.875 11.766 -13.854 1.00 1.39 C ATOM 1938 CD GLU I 40 148.358 13.192 -14.126 1.00 1.84 C ATOM 1939 OE1 GLU I 40 149.340 13.338 -14.834 1.00 2.11 O ATOM 1940 OE2 GLU I 40 147.737 14.113 -13.621 1.00 2.56 O ATOM 0 H GLU I 40 149.460 10.206 -11.383 1.00 0.70 H new ATOM 0 HA GLU I 40 147.525 9.383 -13.213 1.00 0.76 H new ATOM 0 HB2 GLU I 40 149.782 11.271 -12.965 1.00 0.91 H new ATOM 0 HB3 GLU I 40 149.615 10.743 -14.628 1.00 0.91 H new ATOM 0 HG2 GLU I 40 147.252 11.418 -14.678 1.00 1.39 H new ATOM 0 HG3 GLU I 40 147.257 11.745 -12.956 1.00 1.39 H new ATOM 1947 N GLU I 41 150.432 8.093 -14.020 1.00 0.53 N ATOM 1948 CA GLU I 41 151.026 7.027 -14.877 1.00 0.54 C ATOM 1949 C GLU I 41 150.465 5.657 -14.484 1.00 0.43 C ATOM 1950 O GLU I 41 150.096 4.862 -15.325 1.00 0.49 O ATOM 1951 CB GLU I 41 152.529 7.089 -14.603 1.00 0.56 C ATOM 1952 CG GLU I 41 153.179 8.096 -15.554 1.00 0.92 C ATOM 1953 CD GLU I 41 154.666 7.769 -15.703 1.00 1.33 C ATOM 1954 OE1 GLU I 41 155.031 6.632 -15.453 1.00 2.00 O ATOM 1955 OE2 GLU I 41 155.415 8.662 -16.063 1.00 1.94 O ATOM 0 H GLU I 41 151.087 8.562 -13.394 1.00 0.53 H new ATOM 0 HA GLU I 41 150.798 7.172 -15.933 1.00 0.54 H new ATOM 0 HB2 GLU I 41 152.709 7.381 -13.568 1.00 0.56 H new ATOM 0 HB3 GLU I 41 152.975 6.104 -14.739 1.00 0.56 H new ATOM 0 HG2 GLU I 41 152.689 8.062 -16.527 1.00 0.92 H new ATOM 0 HG3 GLU I 41 153.055 9.108 -15.169 1.00 0.92 H new ATOM 1962 N LEU I 42 150.398 5.376 -13.211 1.00 0.35 N ATOM 1963 CA LEU I 42 149.861 4.057 -12.767 1.00 0.32 C ATOM 1964 C LEU I 42 148.377 3.940 -13.131 1.00 0.36 C ATOM 1965 O LEU I 42 147.963 3.012 -13.796 1.00 0.45 O ATOM 1966 CB LEU I 42 150.045 4.046 -11.249 1.00 0.36 C ATOM 1967 CG LEU I 42 149.806 2.634 -10.712 1.00 0.38 C ATOM 1968 CD1 LEU I 42 150.601 1.627 -11.544 1.00 0.49 C ATOM 1969 CD2 LEU I 42 150.262 2.560 -9.253 1.00 0.54 C ATOM 0 H LEU I 42 150.691 6.001 -12.460 1.00 0.35 H new ATOM 0 HA LEU I 42 150.371 3.221 -13.245 1.00 0.32 H new ATOM 0 HB2 LEU I 42 151.051 4.378 -10.992 1.00 0.36 H new ATOM 0 HB3 LEU I 42 149.350 4.745 -10.784 1.00 0.36 H new ATOM 0 HG LEU I 42 148.744 2.398 -10.775 1.00 0.38 H new ATOM 0 HD11 LEU I 42 150.429 0.622 -11.160 1.00 0.49 H new ATOM 0 HD12 LEU I 42 150.278 1.678 -12.584 1.00 0.49 H new ATOM 0 HD13 LEU I 42 151.663 1.862 -11.482 1.00 0.49 H new ATOM 0 HD21 LEU I 42 150.092 1.554 -8.869 1.00 0.54 H new ATOM 0 HD22 LEU I 42 151.324 2.797 -9.191 1.00 0.54 H new ATOM 0 HD23 LEU I 42 149.695 3.276 -8.658 1.00 0.54 H new ATOM 1981 N ARG I 43 147.576 4.876 -12.701 1.00 0.38 N ATOM 1982 CA ARG I 43 146.121 4.820 -13.024 1.00 0.45 C ATOM 1983 C ARG I 43 145.923 4.464 -14.499 1.00 0.46 C ATOM 1984 O ARG I 43 145.358 3.441 -14.830 1.00 0.50 O ATOM 1985 CB ARG I 43 145.599 6.229 -12.738 1.00 0.55 C ATOM 1986 CG ARG I 43 144.471 6.157 -11.708 1.00 1.05 C ATOM 1987 CD ARG I 43 143.123 6.107 -12.430 1.00 0.92 C ATOM 1988 NE ARG I 43 142.318 7.200 -11.818 1.00 1.20 N ATOM 1989 CZ ARG I 43 141.802 8.131 -12.573 1.00 1.49 C ATOM 1990 NH1 ARG I 43 140.629 7.954 -13.118 1.00 2.12 N ATOM 1991 NH2 ARG I 43 142.458 9.239 -12.783 1.00 2.14 N ATOM 0 H ARG I 43 147.865 5.677 -12.140 1.00 0.38 H new ATOM 0 HA ARG I 43 145.595 4.064 -12.441 1.00 0.45 H new ATOM 0 HB2 ARG I 43 146.407 6.859 -12.365 1.00 0.55 H new ATOM 0 HB3 ARG I 43 145.237 6.688 -13.658 1.00 0.55 H new ATOM 0 HG2 ARG I 43 144.593 5.274 -11.081 1.00 1.05 H new ATOM 0 HG3 ARG I 43 144.510 7.024 -11.049 1.00 1.05 H new ATOM 0 HD2 ARG I 43 143.244 6.259 -13.503 1.00 0.92 H new ATOM 0 HD3 ARG I 43 142.640 5.139 -12.297 1.00 0.92 H new ATOM 0 HE ARG I 43 142.170 7.221 -10.809 1.00 1.20 H new ATOM 0 HH11 ARG I 43 140.116 7.088 -12.954 1.00 2.12 H new ATOM 0 HH12 ARG I 43 140.226 8.682 -13.708 1.00 2.12 H new ATOM 0 HH21 ARG I 43 143.374 9.378 -12.357 1.00 2.14 H new ATOM 0 HH22 ARG I 43 142.055 9.967 -13.373 1.00 2.14 H new ATOM 2005 N SER I 44 146.386 5.301 -15.388 1.00 0.48 N ATOM 2006 CA SER I 44 146.226 5.009 -16.841 1.00 0.55 C ATOM 2007 C SER I 44 146.575 3.547 -17.127 1.00 0.50 C ATOM 2008 O SER I 44 145.766 2.790 -17.626 1.00 0.57 O ATOM 2009 CB SER I 44 147.210 5.942 -17.543 1.00 0.62 C ATOM 2010 OG SER I 44 146.537 6.640 -18.582 1.00 1.45 O ATOM 0 H SER I 44 146.868 6.174 -15.171 1.00 0.48 H new ATOM 0 HA SER I 44 145.203 5.164 -17.184 1.00 0.55 H new ATOM 0 HB2 SER I 44 147.631 6.649 -16.828 1.00 0.62 H new ATOM 0 HB3 SER I 44 148.042 5.370 -17.953 1.00 0.62 H new ATOM 0 HG SER I 44 147.166 7.241 -19.033 1.00 1.45 H new ATOM 2016 N LYS I 45 147.776 3.142 -16.813 1.00 0.44 N ATOM 2017 CA LYS I 45 148.176 1.729 -17.066 1.00 0.44 C ATOM 2018 C LYS I 45 147.096 0.775 -16.549 1.00 0.40 C ATOM 2019 O LYS I 45 146.752 -0.196 -17.193 1.00 0.50 O ATOM 2020 CB LYS I 45 149.477 1.539 -16.286 1.00 0.45 C ATOM 2021 CG LYS I 45 150.578 2.397 -16.912 1.00 0.62 C ATOM 2022 CD LYS I 45 150.785 1.980 -18.369 1.00 1.23 C ATOM 2023 CE LYS I 45 152.143 2.489 -18.859 1.00 1.77 C ATOM 2024 NZ LYS I 45 152.268 1.974 -20.251 1.00 2.18 N ATOM 0 H LYS I 45 148.497 3.729 -16.392 1.00 0.44 H new ATOM 0 HA LYS I 45 148.304 1.519 -18.128 1.00 0.44 H new ATOM 0 HB2 LYS I 45 149.332 1.819 -15.243 1.00 0.45 H new ATOM 0 HB3 LYS I 45 149.770 0.489 -16.296 1.00 0.45 H new ATOM 0 HG2 LYS I 45 150.306 3.451 -16.860 1.00 0.62 H new ATOM 0 HG3 LYS I 45 151.507 2.279 -16.354 1.00 0.62 H new ATOM 0 HD2 LYS I 45 150.738 0.895 -18.458 1.00 1.23 H new ATOM 0 HD3 LYS I 45 149.987 2.385 -18.991 1.00 1.23 H new ATOM 0 HE2 LYS I 45 152.188 3.578 -18.835 1.00 1.77 H new ATOM 0 HE3 LYS I 45 152.953 2.122 -18.228 1.00 1.77 H new ATOM 0 HZ1 LYS I 45 153.175 2.282 -20.655 1.00 2.18 H new ATOM 0 HZ2 LYS I 45 152.228 0.935 -20.242 1.00 2.18 H new ATOM 0 HZ3 LYS I 45 151.488 2.345 -20.830 1.00 2.18 H new ATOM 2038 N ALA I 46 146.560 1.045 -15.391 1.00 0.36 N ATOM 2039 CA ALA I 46 145.503 0.153 -14.833 1.00 0.37 C ATOM 2040 C ALA I 46 144.234 0.240 -15.686 1.00 0.42 C ATOM 2041 O ALA I 46 143.439 -0.678 -15.727 1.00 0.50 O ATOM 2042 CB ALA I 46 145.240 0.684 -13.424 1.00 0.35 C ATOM 0 H ALA I 46 146.807 1.844 -14.807 1.00 0.36 H new ATOM 0 HA ALA I 46 145.808 -0.893 -14.823 1.00 0.37 H new ATOM 0 HB1 ALA I 46 144.471 0.078 -12.945 1.00 0.35 H new ATOM 0 HB2 ALA I 46 146.158 0.634 -12.839 1.00 0.35 H new ATOM 0 HB3 ALA I 46 144.903 1.719 -13.482 1.00 0.35 H new ATOM 2048 N CYS I 47 144.040 1.335 -16.369 1.00 0.47 N ATOM 2049 CA CYS I 47 142.823 1.476 -17.219 1.00 0.58 C ATOM 2050 C CYS I 47 142.975 0.650 -18.499 1.00 0.60 C ATOM 2051 O CYS I 47 142.059 -0.022 -18.929 1.00 0.79 O ATOM 2052 CB CYS I 47 142.741 2.967 -17.549 1.00 0.66 C ATOM 2053 SG CYS I 47 141.157 3.627 -16.973 1.00 1.36 S ATOM 0 H CYS I 47 144.670 2.137 -16.376 1.00 0.47 H new ATOM 0 HA CYS I 47 141.924 1.120 -16.716 1.00 0.58 H new ATOM 0 HB2 CYS I 47 143.564 3.501 -17.074 1.00 0.66 H new ATOM 0 HB3 CYS I 47 142.841 3.118 -18.624 1.00 0.66 H new ATOM 0 HG CYS I 47 140.197 2.830 -17.337 1.00 1.36 H new ATOM 2059 N GLU I 48 144.128 0.695 -19.110 1.00 0.52 N ATOM 2060 CA GLU I 48 144.341 -0.088 -20.361 1.00 0.56 C ATOM 2061 C GLU I 48 144.593 -1.561 -20.027 1.00 0.54 C ATOM 2062 O GLU I 48 144.341 -2.441 -20.827 1.00 0.63 O ATOM 2063 CB GLU I 48 145.577 0.534 -21.010 1.00 0.58 C ATOM 2064 CG GLU I 48 145.251 0.936 -22.450 1.00 1.03 C ATOM 2065 CD GLU I 48 146.467 1.621 -23.076 1.00 1.45 C ATOM 2066 OE1 GLU I 48 147.233 2.216 -22.337 1.00 2.03 O ATOM 2067 OE2 GLU I 48 146.611 1.539 -24.285 1.00 2.14 O ATOM 0 H GLU I 48 144.931 1.240 -18.797 1.00 0.52 H new ATOM 0 HA GLU I 48 143.474 -0.057 -21.021 1.00 0.56 H new ATOM 0 HB2 GLU I 48 145.899 1.407 -20.442 1.00 0.58 H new ATOM 0 HB3 GLU I 48 146.403 -0.177 -20.998 1.00 0.58 H new ATOM 0 HG2 GLU I 48 144.977 0.056 -23.031 1.00 1.03 H new ATOM 0 HG3 GLU I 48 144.393 1.608 -22.466 1.00 1.03 H new ATOM 2074 N LEU I 49 145.087 -1.837 -18.851 1.00 0.49 N ATOM 2075 CA LEU I 49 145.354 -3.253 -18.467 1.00 0.50 C ATOM 2076 C LEU I 49 144.098 -3.882 -17.859 1.00 0.52 C ATOM 2077 O LEU I 49 143.755 -5.011 -18.149 1.00 0.73 O ATOM 2078 CB LEU I 49 146.473 -3.178 -17.429 1.00 0.51 C ATOM 2079 CG LEU I 49 147.828 -3.253 -18.134 1.00 0.58 C ATOM 2080 CD1 LEU I 49 148.418 -1.848 -18.261 1.00 0.74 C ATOM 2081 CD2 LEU I 49 148.778 -4.132 -17.317 1.00 0.59 C ATOM 0 H LEU I 49 145.317 -1.144 -18.139 1.00 0.49 H new ATOM 0 HA LEU I 49 145.633 -3.867 -19.323 1.00 0.50 H new ATOM 0 HB2 LEU I 49 146.397 -2.250 -16.863 1.00 0.51 H new ATOM 0 HB3 LEU I 49 146.377 -3.996 -16.715 1.00 0.51 H new ATOM 0 HG LEU I 49 147.697 -3.682 -19.127 1.00 0.58 H new ATOM 0 HD11 LEU I 49 149.384 -1.903 -18.764 1.00 0.74 H new ATOM 0 HD12 LEU I 49 147.742 -1.221 -18.842 1.00 0.74 H new ATOM 0 HD13 LEU I 49 148.550 -1.418 -17.268 1.00 0.74 H new ATOM 0 HD21 LEU I 49 149.744 -4.187 -17.818 1.00 0.59 H new ATOM 0 HD22 LEU I 49 148.908 -3.702 -16.324 1.00 0.59 H new ATOM 0 HD23 LEU I 49 148.359 -5.134 -17.226 1.00 0.59 H new ATOM 2093 N LEU I 50 143.410 -3.160 -17.018 1.00 0.47 N ATOM 2094 CA LEU I 50 142.176 -3.716 -16.393 1.00 0.50 C ATOM 2095 C LEU I 50 140.936 -3.238 -17.153 1.00 0.57 C ATOM 2096 O LEU I 50 139.822 -3.604 -16.835 1.00 0.66 O ATOM 2097 CB LEU I 50 142.174 -3.167 -14.965 1.00 0.45 C ATOM 2098 CG LEU I 50 143.502 -3.507 -14.287 1.00 0.53 C ATOM 2099 CD1 LEU I 50 143.449 -3.082 -12.818 1.00 0.90 C ATOM 2100 CD2 LEU I 50 143.746 -5.015 -14.372 1.00 0.69 C ATOM 0 H LEU I 50 143.649 -2.209 -16.736 1.00 0.47 H new ATOM 0 HA LEU I 50 142.159 -4.806 -16.411 1.00 0.50 H new ATOM 0 HB2 LEU I 50 142.027 -2.087 -14.979 1.00 0.45 H new ATOM 0 HB3 LEU I 50 141.345 -3.594 -14.401 1.00 0.45 H new ATOM 0 HG LEU I 50 144.312 -2.978 -14.789 1.00 0.53 H new ATOM 0 HD11 LEU I 50 144.395 -3.324 -12.335 1.00 0.90 H new ATOM 0 HD12 LEU I 50 143.275 -2.008 -12.756 1.00 0.90 H new ATOM 0 HD13 LEU I 50 142.639 -3.611 -12.315 1.00 0.90 H new ATOM 0 HD21 LEU I 50 144.692 -5.258 -13.889 1.00 0.69 H new ATOM 0 HD22 LEU I 50 142.936 -5.544 -13.870 1.00 0.69 H new ATOM 0 HD23 LEU I 50 143.784 -5.319 -15.418 1.00 0.69 H new ATOM 2112 N ALA I 51 141.121 -2.424 -18.156 1.00 0.61 N ATOM 2113 CA ALA I 51 139.952 -1.924 -18.935 1.00 0.74 C ATOM 2114 C ALA I 51 139.007 -1.137 -18.024 1.00 0.79 C ATOM 2115 O ALA I 51 137.801 -1.250 -18.117 1.00 0.98 O ATOM 2116 CB ALA I 51 139.262 -3.182 -19.465 1.00 0.86 C ATOM 0 H ALA I 51 142.030 -2.084 -18.470 1.00 0.61 H new ATOM 0 HA ALA I 51 140.249 -1.252 -19.740 1.00 0.74 H new ATOM 0 HB1 ALA I 51 138.388 -2.898 -20.051 1.00 0.86 H new ATOM 0 HB2 ALA I 51 139.956 -3.740 -20.094 1.00 0.86 H new ATOM 0 HB3 ALA I 51 138.950 -3.806 -18.628 1.00 0.86 H new ATOM 2122 N ILE I 52 139.546 -0.340 -17.142 1.00 0.72 N ATOM 2123 CA ILE I 52 138.678 0.453 -16.225 1.00 0.81 C ATOM 2124 C ILE I 52 137.984 1.579 -16.996 1.00 0.98 C ATOM 2125 O ILE I 52 138.461 2.696 -17.046 1.00 1.12 O ATOM 2126 CB ILE I 52 139.632 1.029 -15.178 1.00 0.73 C ATOM 2127 CG1 ILE I 52 140.254 -0.114 -14.373 1.00 0.59 C ATOM 2128 CG2 ILE I 52 138.858 1.954 -14.238 1.00 0.86 C ATOM 2129 CD1 ILE I 52 139.199 -0.721 -13.445 1.00 0.55 C ATOM 0 H ILE I 52 140.549 -0.204 -17.017 1.00 0.72 H new ATOM 0 HA ILE I 52 137.893 -0.152 -15.772 1.00 0.81 H new ATOM 0 HB ILE I 52 140.420 1.594 -15.675 1.00 0.73 H new ATOM 0 HG12 ILE I 52 140.643 -0.877 -15.047 1.00 0.59 H new ATOM 0 HG13 ILE I 52 141.097 0.255 -13.789 1.00 0.59 H new ATOM 0 HG21 ILE I 52 139.537 2.365 -13.491 1.00 0.86 H new ATOM 0 HG22 ILE I 52 138.414 2.768 -14.812 1.00 0.86 H new ATOM 0 HG23 ILE I 52 138.070 1.390 -13.740 1.00 0.86 H new ATOM 0 HD11 ILE I 52 139.643 -1.535 -12.872 1.00 0.55 H new ATOM 0 HD12 ILE I 52 138.831 0.045 -12.762 1.00 0.55 H new ATOM 0 HD13 ILE I 52 138.370 -1.106 -14.039 1.00 0.55 H new ATOM 2141 N ASP I 53 136.861 1.296 -17.596 1.00 1.09 N ATOM 2142 CA ASP I 53 136.138 2.351 -18.363 1.00 1.26 C ATOM 2143 C ASP I 53 136.071 3.645 -17.547 1.00 1.12 C ATOM 2144 O ASP I 53 136.169 3.633 -16.336 1.00 0.99 O ATOM 2145 CB ASP I 53 134.735 1.787 -18.588 1.00 1.39 C ATOM 2146 CG ASP I 53 134.451 1.708 -20.089 1.00 1.84 C ATOM 2147 OD1 ASP I 53 135.225 1.071 -20.785 1.00 2.42 O ATOM 2148 OD2 ASP I 53 133.466 2.286 -20.517 1.00 2.25 O ATOM 0 H ASP I 53 136.412 0.380 -17.589 1.00 1.09 H new ATOM 0 HA ASP I 53 136.635 2.592 -19.302 1.00 1.26 H new ATOM 0 HB2 ASP I 53 134.653 0.797 -18.139 1.00 1.39 H new ATOM 0 HB3 ASP I 53 133.994 2.420 -18.100 1.00 1.39 H new ATOM 2153 N LYS I 54 135.906 4.762 -18.202 1.00 1.22 N ATOM 2154 CA LYS I 54 135.833 6.056 -17.463 1.00 1.17 C ATOM 2155 C LYS I 54 134.497 6.167 -16.723 1.00 1.07 C ATOM 2156 O LYS I 54 134.299 7.047 -15.909 1.00 1.10 O ATOM 2157 CB LYS I 54 135.940 7.135 -18.540 1.00 1.38 C ATOM 2158 CG LYS I 54 136.192 8.492 -17.880 1.00 1.92 C ATOM 2159 CD LYS I 54 137.583 8.998 -18.268 1.00 2.50 C ATOM 2160 CE LYS I 54 137.944 10.211 -17.408 1.00 3.22 C ATOM 2161 NZ LYS I 54 138.605 11.162 -18.345 1.00 3.87 N ATOM 0 H LYS I 54 135.819 4.835 -19.216 1.00 1.22 H new ATOM 0 HA LYS I 54 136.620 6.149 -16.714 1.00 1.17 H new ATOM 0 HB2 LYS I 54 136.751 6.897 -19.228 1.00 1.38 H new ATOM 0 HB3 LYS I 54 135.023 7.169 -19.128 1.00 1.38 H new ATOM 0 HG2 LYS I 54 135.432 9.208 -18.194 1.00 1.92 H new ATOM 0 HG3 LYS I 54 136.116 8.401 -16.796 1.00 1.92 H new ATOM 0 HD2 LYS I 54 138.321 8.208 -18.129 1.00 2.50 H new ATOM 0 HD3 LYS I 54 137.602 9.269 -19.324 1.00 2.50 H new ATOM 0 HE2 LYS I 54 137.056 10.654 -16.957 1.00 3.22 H new ATOM 0 HE3 LYS I 54 138.611 9.932 -16.592 1.00 3.22 H new ATOM 0 HZ1 LYS I 54 138.883 12.021 -17.829 1.00 3.87 H new ATOM 0 HZ2 LYS I 54 139.451 10.715 -18.754 1.00 3.87 H new ATOM 0 HZ3 LYS I 54 137.944 11.414 -19.107 1.00 3.87 H new ATOM 2175 N SER I 55 133.580 5.281 -16.998 1.00 1.07 N ATOM 2176 CA SER I 55 132.259 5.337 -16.309 1.00 1.07 C ATOM 2177 C SER I 55 132.354 4.666 -14.936 1.00 0.98 C ATOM 2178 O SER I 55 131.451 4.752 -14.128 1.00 1.05 O ATOM 2179 CB SER I 55 131.304 4.566 -17.218 1.00 1.21 C ATOM 2180 OG SER I 55 129.972 4.734 -16.749 1.00 1.63 O ATOM 0 H SER I 55 133.688 4.521 -17.670 1.00 1.07 H new ATOM 0 HA SER I 55 131.922 6.360 -16.141 1.00 1.07 H new ATOM 0 HB2 SER I 55 131.389 4.926 -18.243 1.00 1.21 H new ATOM 0 HB3 SER I 55 131.568 3.508 -17.229 1.00 1.21 H new ATOM 0 HG SER I 55 129.356 4.242 -17.331 1.00 1.63 H new ATOM 2186 N LEU I 56 133.443 3.999 -14.667 1.00 0.90 N ATOM 2187 CA LEU I 56 133.597 3.322 -13.347 1.00 0.84 C ATOM 2188 C LEU I 56 134.373 4.219 -12.379 1.00 0.81 C ATOM 2189 O LEU I 56 134.581 3.877 -11.232 1.00 0.89 O ATOM 2190 CB LEU I 56 134.387 2.048 -13.647 1.00 0.77 C ATOM 2191 CG LEU I 56 133.644 1.221 -14.697 1.00 0.94 C ATOM 2192 CD1 LEU I 56 134.647 0.385 -15.493 1.00 1.16 C ATOM 2193 CD2 LEU I 56 132.646 0.292 -14.001 1.00 1.30 C ATOM 0 H LEU I 56 134.233 3.893 -15.304 1.00 0.90 H new ATOM 0 HA LEU I 56 132.637 3.107 -12.879 1.00 0.84 H new ATOM 0 HB2 LEU I 56 135.384 2.302 -14.008 1.00 0.77 H new ATOM 0 HB3 LEU I 56 134.517 1.465 -12.735 1.00 0.77 H new ATOM 0 HG LEU I 56 133.110 1.889 -15.373 1.00 0.94 H new ATOM 0 HD11 LEU I 56 134.117 -0.204 -16.241 1.00 1.16 H new ATOM 0 HD12 LEU I 56 135.359 1.045 -15.989 1.00 1.16 H new ATOM 0 HD13 LEU I 56 135.181 -0.283 -14.817 1.00 1.16 H new ATOM 0 HD21 LEU I 56 132.116 -0.298 -14.749 1.00 1.30 H new ATOM 0 HD22 LEU I 56 133.181 -0.375 -13.325 1.00 1.30 H new ATOM 0 HD23 LEU I 56 131.930 0.887 -13.434 1.00 1.30 H new ATOM 2205 N THR I 57 134.803 5.364 -12.833 1.00 0.85 N ATOM 2206 CA THR I 57 135.565 6.283 -11.939 1.00 0.93 C ATOM 2207 C THR I 57 134.597 7.057 -11.034 1.00 1.09 C ATOM 2208 O THR I 57 133.408 7.071 -11.281 1.00 1.19 O ATOM 2209 CB THR I 57 136.292 7.237 -12.889 1.00 1.05 C ATOM 2210 OG1 THR I 57 135.414 7.613 -13.941 1.00 1.12 O ATOM 2211 CG2 THR I 57 137.522 6.541 -13.473 1.00 1.03 C ATOM 0 H THR I 57 134.660 5.704 -13.784 1.00 0.85 H new ATOM 0 HA THR I 57 136.257 5.752 -11.285 1.00 0.93 H new ATOM 0 HB THR I 57 136.607 8.125 -12.342 1.00 1.05 H new ATOM 0 HG1 THR I 57 135.599 7.066 -14.733 1.00 1.12 H new ATOM 0 HG21 THR I 57 138.039 7.222 -14.149 1.00 1.03 H new ATOM 0 HG22 THR I 57 138.195 6.252 -12.665 1.00 1.03 H new ATOM 0 HG23 THR I 57 137.211 5.652 -14.021 1.00 1.03 H new ATOM 2219 N PRO I 58 135.132 7.691 -10.017 1.00 1.18 N ATOM 2220 CA PRO I 58 136.592 7.657 -9.736 1.00 1.17 C ATOM 2221 C PRO I 58 137.022 6.267 -9.254 1.00 1.07 C ATOM 2222 O PRO I 58 136.451 5.714 -8.336 1.00 1.68 O ATOM 2223 CB PRO I 58 136.735 8.682 -8.606 1.00 1.36 C ATOM 2224 CG PRO I 58 135.342 9.253 -8.277 1.00 1.47 C ATOM 2225 CD PRO I 58 134.295 8.496 -9.102 1.00 1.39 C ATOM 0 HA PRO I 58 137.207 7.875 -10.609 1.00 1.17 H new ATOM 0 HB2 PRO I 58 137.169 8.213 -7.723 1.00 1.36 H new ATOM 0 HB3 PRO I 58 137.410 9.483 -8.906 1.00 1.36 H new ATOM 0 HG2 PRO I 58 135.132 9.149 -7.212 1.00 1.47 H new ATOM 0 HG3 PRO I 58 135.306 10.318 -8.506 1.00 1.47 H new ATOM 0 HD2 PRO I 58 133.660 7.870 -8.476 1.00 1.39 H new ATOM 0 HD3 PRO I 58 133.637 9.175 -9.645 1.00 1.39 H new ATOM 2233 N ILE I 59 138.025 5.700 -9.867 1.00 0.83 N ATOM 2234 CA ILE I 59 138.491 4.348 -9.442 1.00 0.64 C ATOM 2235 C ILE I 59 139.095 4.414 -8.036 1.00 0.60 C ATOM 2236 O ILE I 59 139.519 5.458 -7.581 1.00 0.68 O ATOM 2237 CB ILE I 59 139.556 3.957 -10.465 1.00 0.62 C ATOM 2238 CG1 ILE I 59 138.958 4.024 -11.872 1.00 0.97 C ATOM 2239 CG2 ILE I 59 140.037 2.533 -10.184 1.00 1.09 C ATOM 2240 CD1 ILE I 59 140.081 4.202 -12.896 1.00 0.86 C ATOM 0 H ILE I 59 138.542 6.113 -10.643 1.00 0.83 H new ATOM 0 HA ILE I 59 137.677 3.624 -9.404 1.00 0.64 H new ATOM 0 HB ILE I 59 140.398 4.645 -10.393 1.00 0.62 H new ATOM 0 HG12 ILE I 59 138.399 3.113 -12.085 1.00 0.97 H new ATOM 0 HG13 ILE I 59 138.254 4.854 -11.940 1.00 0.97 H new ATOM 0 HG21 ILE I 59 140.797 2.255 -10.914 1.00 1.09 H new ATOM 0 HG22 ILE I 59 140.462 2.484 -9.181 1.00 1.09 H new ATOM 0 HG23 ILE I 59 139.195 1.844 -10.256 1.00 1.09 H new ATOM 0 HD11 ILE I 59 139.655 4.250 -13.898 1.00 0.86 H new ATOM 0 HD12 ILE I 59 140.621 5.125 -12.687 1.00 0.86 H new ATOM 0 HD13 ILE I 59 140.768 3.358 -12.833 1.00 0.86 H new ATOM 2252 N THR I 60 139.137 3.308 -7.345 1.00 0.53 N ATOM 2253 CA THR I 60 139.714 3.310 -5.969 1.00 0.53 C ATOM 2254 C THR I 60 140.860 2.300 -5.875 1.00 0.48 C ATOM 2255 O THR I 60 140.656 1.105 -5.966 1.00 0.57 O ATOM 2256 CB THR I 60 138.558 2.898 -5.055 1.00 0.61 C ATOM 2257 OG1 THR I 60 137.390 3.624 -5.415 1.00 0.84 O ATOM 2258 CG2 THR I 60 138.922 3.200 -3.601 1.00 0.60 C ATOM 0 H THR I 60 138.797 2.404 -7.672 1.00 0.53 H new ATOM 0 HA THR I 60 140.125 4.281 -5.694 1.00 0.53 H new ATOM 0 HB THR I 60 138.370 1.830 -5.165 1.00 0.61 H new ATOM 0 HG1 THR I 60 136.648 3.360 -4.832 1.00 0.84 H new ATOM 0 HG21 THR I 60 138.098 2.906 -2.951 1.00 0.60 H new ATOM 0 HG22 THR I 60 139.817 2.642 -3.327 1.00 0.60 H new ATOM 0 HG23 THR I 60 139.111 4.267 -3.487 1.00 0.60 H new ATOM 2266 N LEU I 61 142.064 2.769 -5.695 1.00 0.44 N ATOM 2267 CA LEU I 61 143.222 1.834 -5.597 1.00 0.43 C ATOM 2268 C LEU I 61 143.502 1.489 -4.132 1.00 0.48 C ATOM 2269 O LEU I 61 144.189 2.210 -3.436 1.00 0.84 O ATOM 2270 CB LEU I 61 144.401 2.597 -6.201 1.00 0.46 C ATOM 2271 CG LEU I 61 144.022 3.113 -7.589 1.00 0.42 C ATOM 2272 CD1 LEU I 61 144.648 4.491 -7.810 1.00 0.45 C ATOM 2273 CD2 LEU I 61 144.540 2.142 -8.652 1.00 0.65 C ATOM 0 H LEU I 61 142.297 3.759 -5.611 1.00 0.44 H new ATOM 0 HA LEU I 61 143.036 0.893 -6.115 1.00 0.43 H new ATOM 0 HB2 LEU I 61 144.677 3.431 -5.555 1.00 0.46 H new ATOM 0 HB3 LEU I 61 145.272 1.945 -6.270 1.00 0.46 H new ATOM 0 HG LEU I 61 142.937 3.191 -7.664 1.00 0.42 H new ATOM 0 HD11 LEU I 61 144.378 4.859 -8.800 1.00 0.45 H new ATOM 0 HD12 LEU I 61 144.280 5.183 -7.053 1.00 0.45 H new ATOM 0 HD13 LEU I 61 145.733 4.414 -7.735 1.00 0.45 H new ATOM 0 HD21 LEU I 61 144.270 2.509 -9.642 1.00 0.65 H new ATOM 0 HD22 LEU I 61 145.625 2.065 -8.577 1.00 0.65 H new ATOM 0 HD23 LEU I 61 144.095 1.160 -8.495 1.00 0.65 H new ATOM 2285 N VAL I 62 142.977 0.393 -3.658 1.00 0.38 N ATOM 2286 CA VAL I 62 143.217 0.005 -2.238 1.00 0.39 C ATOM 2287 C VAL I 62 144.259 -1.114 -2.165 1.00 0.39 C ATOM 2288 O VAL I 62 144.171 -2.104 -2.864 1.00 0.43 O ATOM 2289 CB VAL I 62 141.863 -0.485 -1.725 1.00 0.44 C ATOM 2290 CG1 VAL I 62 140.894 0.695 -1.635 1.00 0.45 C ATOM 2291 CG2 VAL I 62 141.300 -1.533 -2.687 1.00 0.57 C ATOM 0 H VAL I 62 142.393 -0.251 -4.191 1.00 0.38 H new ATOM 0 HA VAL I 62 143.600 0.834 -1.642 1.00 0.39 H new ATOM 0 HB VAL I 62 141.989 -0.929 -0.738 1.00 0.44 H new ATOM 0 HG11 VAL I 62 139.928 0.346 -1.269 1.00 0.45 H new ATOM 0 HG12 VAL I 62 141.293 1.442 -0.949 1.00 0.45 H new ATOM 0 HG13 VAL I 62 140.769 1.139 -2.623 1.00 0.45 H new ATOM 0 HG21 VAL I 62 140.335 -1.882 -2.321 1.00 0.57 H new ATOM 0 HG22 VAL I 62 141.175 -1.090 -3.675 1.00 0.57 H new ATOM 0 HG23 VAL I 62 141.989 -2.375 -2.752 1.00 0.57 H new ATOM 2301 N LEU I 63 145.245 -0.965 -1.323 1.00 0.40 N ATOM 2302 CA LEU I 63 146.292 -2.020 -1.205 1.00 0.42 C ATOM 2303 C LEU I 63 145.660 -3.350 -0.789 1.00 0.46 C ATOM 2304 O LEU I 63 144.910 -3.420 0.165 1.00 0.52 O ATOM 2305 CB LEU I 63 147.243 -1.516 -0.119 1.00 0.45 C ATOM 2306 CG LEU I 63 147.828 -0.165 -0.536 1.00 0.48 C ATOM 2307 CD1 LEU I 63 148.329 0.578 0.703 1.00 0.50 C ATOM 2308 CD2 LEU I 63 148.995 -0.392 -1.500 1.00 0.59 C ATOM 0 H LEU I 63 145.371 -0.158 -0.712 1.00 0.40 H new ATOM 0 HA LEU I 63 146.808 -2.196 -2.149 1.00 0.42 H new ATOM 0 HB2 LEU I 63 146.711 -1.417 0.827 1.00 0.45 H new ATOM 0 HB3 LEU I 63 148.045 -2.237 0.040 1.00 0.45 H new ATOM 0 HG LEU I 63 147.058 0.428 -1.029 1.00 0.48 H new ATOM 0 HD11 LEU I 63 148.746 1.540 0.406 1.00 0.50 H new ATOM 0 HD12 LEU I 63 147.499 0.739 1.391 1.00 0.50 H new ATOM 0 HD13 LEU I 63 149.100 -0.015 1.196 1.00 0.50 H new ATOM 0 HD21 LEU I 63 149.413 0.570 -1.798 1.00 0.59 H new ATOM 0 HD22 LEU I 63 149.765 -0.985 -1.006 1.00 0.59 H new ATOM 0 HD23 LEU I 63 148.639 -0.923 -2.383 1.00 0.59 H new ATOM 2320 N ALA I 64 145.957 -4.406 -1.495 1.00 0.49 N ATOM 2321 CA ALA I 64 145.373 -5.730 -1.138 1.00 0.55 C ATOM 2322 C ALA I 64 145.923 -6.205 0.210 1.00 0.61 C ATOM 2323 O ALA I 64 145.263 -6.910 0.947 1.00 0.73 O ATOM 2324 CB ALA I 64 145.814 -6.672 -2.259 1.00 0.60 C ATOM 0 H ALA I 64 146.579 -4.410 -2.304 1.00 0.49 H new ATOM 0 HA ALA I 64 144.288 -5.690 -1.042 1.00 0.55 H new ATOM 0 HB1 ALA I 64 145.423 -7.672 -2.069 1.00 0.60 H new ATOM 0 HB2 ALA I 64 145.431 -6.307 -3.212 1.00 0.60 H new ATOM 0 HB3 ALA I 64 146.903 -6.709 -2.296 1.00 0.60 H new ATOM 2330 N GLU I 65 147.128 -5.824 0.537 1.00 0.64 N ATOM 2331 CA GLU I 65 147.719 -6.253 1.837 1.00 0.72 C ATOM 2332 C GLU I 65 146.972 -5.596 3.001 1.00 0.75 C ATOM 2333 O GLU I 65 146.463 -6.262 3.880 1.00 1.04 O ATOM 2334 CB GLU I 65 149.169 -5.772 1.791 1.00 0.87 C ATOM 2335 CG GLU I 65 149.892 -6.437 0.617 1.00 1.18 C ATOM 2336 CD GLU I 65 151.402 -6.395 0.857 1.00 1.86 C ATOM 2337 OE1 GLU I 65 151.869 -7.142 1.701 1.00 2.37 O ATOM 2338 OE2 GLU I 65 152.066 -5.617 0.192 1.00 2.57 O ATOM 0 H GLU I 65 147.729 -5.235 -0.039 1.00 0.64 H new ATOM 0 HA GLU I 65 147.652 -7.331 1.985 1.00 0.72 H new ATOM 0 HB2 GLU I 65 149.200 -4.688 1.684 1.00 0.87 H new ATOM 0 HB3 GLU I 65 149.673 -6.014 2.726 1.00 0.87 H new ATOM 0 HG2 GLU I 65 149.559 -7.469 0.509 1.00 1.18 H new ATOM 0 HG3 GLU I 65 149.647 -5.924 -0.313 1.00 1.18 H new ATOM 2345 N ASP I 66 146.902 -4.293 3.012 1.00 0.74 N ATOM 2346 CA ASP I 66 146.189 -3.593 4.119 1.00 0.82 C ATOM 2347 C ASP I 66 144.787 -3.176 3.664 1.00 0.72 C ATOM 2348 O ASP I 66 143.803 -3.452 4.320 1.00 0.88 O ATOM 2349 CB ASP I 66 147.042 -2.362 4.424 1.00 0.97 C ATOM 2350 CG ASP I 66 148.011 -2.683 5.564 1.00 1.21 C ATOM 2351 OD1 ASP I 66 147.696 -3.557 6.355 1.00 1.77 O ATOM 2352 OD2 ASP I 66 149.051 -2.049 5.627 1.00 1.65 O ATOM 0 H ASP I 66 147.308 -3.683 2.303 1.00 0.74 H new ATOM 0 HA ASP I 66 146.063 -4.228 4.996 1.00 0.82 H new ATOM 0 HB2 ASP I 66 147.596 -2.061 3.535 1.00 0.97 H new ATOM 0 HB3 ASP I 66 146.403 -1.523 4.701 1.00 0.97 H new ATOM 2357 N GLY I 67 144.690 -2.514 2.543 1.00 0.55 N ATOM 2358 CA GLY I 67 143.354 -2.080 2.047 1.00 0.52 C ATOM 2359 C GLY I 67 143.234 -0.559 2.160 1.00 0.48 C ATOM 2360 O GLY I 67 142.177 0.007 1.965 1.00 0.57 O ATOM 0 H GLY I 67 145.478 -2.255 1.950 1.00 0.55 H new ATOM 0 HA2 GLY I 67 143.222 -2.389 1.010 1.00 0.52 H new ATOM 0 HA3 GLY I 67 142.566 -2.561 2.626 1.00 0.52 H new ATOM 2364 N THR I 68 144.311 0.108 2.474 1.00 0.45 N ATOM 2365 CA THR I 68 144.258 1.593 2.599 1.00 0.42 C ATOM 2366 C THR I 68 143.977 2.231 1.236 1.00 0.44 C ATOM 2367 O THR I 68 144.689 2.007 0.277 1.00 0.47 O ATOM 2368 CB THR I 68 145.644 1.997 3.103 1.00 0.44 C ATOM 2369 OG1 THR I 68 145.859 1.437 4.391 1.00 0.50 O ATOM 2370 CG2 THR I 68 145.736 3.521 3.185 1.00 0.48 C ATOM 0 H THR I 68 145.225 -0.310 2.649 1.00 0.45 H new ATOM 0 HA THR I 68 143.466 1.922 3.272 1.00 0.42 H new ATOM 0 HB THR I 68 146.403 1.627 2.414 1.00 0.44 H new ATOM 0 HG1 THR I 68 146.640 0.846 4.364 1.00 0.50 H new ATOM 0 HG21 THR I 68 146.724 3.807 3.544 1.00 0.48 H new ATOM 0 HG22 THR I 68 145.571 3.949 2.196 1.00 0.48 H new ATOM 0 HG23 THR I 68 144.978 3.895 3.873 1.00 0.48 H new ATOM 2378 N ILE I 69 142.946 3.025 1.143 1.00 0.47 N ATOM 2379 CA ILE I 69 142.623 3.677 -0.159 1.00 0.49 C ATOM 2380 C ILE I 69 143.762 4.609 -0.578 1.00 0.50 C ATOM 2381 O ILE I 69 144.203 5.447 0.183 1.00 0.66 O ATOM 2382 CB ILE I 69 141.347 4.476 0.103 1.00 0.50 C ATOM 2383 CG1 ILE I 69 140.228 3.523 0.528 1.00 0.56 C ATOM 2384 CG2 ILE I 69 140.934 5.210 -1.174 1.00 0.63 C ATOM 2385 CD1 ILE I 69 139.253 4.258 1.448 1.00 0.79 C ATOM 0 H ILE I 69 142.314 3.251 1.911 1.00 0.47 H new ATOM 0 HA ILE I 69 142.492 2.952 -0.963 1.00 0.49 H new ATOM 0 HB ILE I 69 141.528 5.201 0.896 1.00 0.50 H new ATOM 0 HG12 ILE I 69 139.703 3.147 -0.350 1.00 0.56 H new ATOM 0 HG13 ILE I 69 140.648 2.658 1.042 1.00 0.56 H new ATOM 0 HG21 ILE I 69 140.024 5.780 -0.988 1.00 0.63 H new ATOM 0 HG22 ILE I 69 141.731 5.888 -1.478 1.00 0.63 H new ATOM 0 HG23 ILE I 69 140.752 4.485 -1.968 1.00 0.63 H new ATOM 0 HD11 ILE I 69 138.456 3.579 1.751 1.00 0.79 H new ATOM 0 HD12 ILE I 69 139.783 4.612 2.332 1.00 0.79 H new ATOM 0 HD13 ILE I 69 138.823 5.108 0.918 1.00 0.79 H new ATOM 2397 N VAL I 70 144.240 4.470 -1.783 1.00 0.47 N ATOM 2398 CA VAL I 70 145.350 5.349 -2.249 1.00 0.49 C ATOM 2399 C VAL I 70 144.823 6.379 -3.251 1.00 0.49 C ATOM 2400 O VAL I 70 145.117 6.321 -4.428 1.00 0.59 O ATOM 2401 CB VAL I 70 146.344 4.406 -2.925 1.00 0.54 C ATOM 2402 CG1 VAL I 70 147.644 5.158 -3.216 1.00 0.65 C ATOM 2403 CG2 VAL I 70 146.637 3.224 -1.997 1.00 0.56 C ATOM 0 H VAL I 70 143.911 3.787 -2.465 1.00 0.47 H new ATOM 0 HA VAL I 70 145.807 5.906 -1.431 1.00 0.49 H new ATOM 0 HB VAL I 70 145.919 4.039 -3.859 1.00 0.54 H new ATOM 0 HG11 VAL I 70 148.353 4.485 -3.698 1.00 0.65 H new ATOM 0 HG12 VAL I 70 147.437 6.001 -3.876 1.00 0.65 H new ATOM 0 HG13 VAL I 70 148.069 5.524 -2.282 1.00 0.65 H new ATOM 0 HG21 VAL I 70 147.346 2.551 -2.478 1.00 0.56 H new ATOM 0 HG22 VAL I 70 147.062 3.591 -1.063 1.00 0.56 H new ATOM 0 HG23 VAL I 70 145.712 2.687 -1.788 1.00 0.56 H new ATOM 2413 N ASP I 71 144.046 7.323 -2.794 1.00 0.46 N ATOM 2414 CA ASP I 71 143.504 8.354 -3.724 1.00 0.48 C ATOM 2415 C ASP I 71 144.476 9.532 -3.830 1.00 0.54 C ATOM 2416 O ASP I 71 144.090 10.644 -4.131 1.00 0.76 O ATOM 2417 CB ASP I 71 142.182 8.798 -3.097 1.00 0.55 C ATOM 2418 CG ASP I 71 141.093 8.823 -4.171 1.00 1.17 C ATOM 2419 OD1 ASP I 71 141.407 8.529 -5.313 1.00 1.88 O ATOM 2420 OD2 ASP I 71 139.963 9.134 -3.834 1.00 1.75 O ATOM 0 H ASP I 71 143.764 7.425 -1.819 1.00 0.46 H new ATOM 0 HA ASP I 71 143.364 7.969 -4.734 1.00 0.48 H new ATOM 0 HB2 ASP I 71 141.901 8.117 -2.294 1.00 0.55 H new ATOM 0 HB3 ASP I 71 142.292 9.787 -2.652 1.00 0.55 H new ATOM 2425 N ASP I 72 145.736 9.294 -3.590 1.00 0.42 N ATOM 2426 CA ASP I 72 146.736 10.396 -3.681 1.00 0.46 C ATOM 2427 C ASP I 72 147.927 9.950 -4.533 1.00 0.44 C ATOM 2428 O ASP I 72 147.914 8.889 -5.125 1.00 0.48 O ATOM 2429 CB ASP I 72 147.175 10.655 -2.239 1.00 0.49 C ATOM 2430 CG ASP I 72 148.016 9.479 -1.742 1.00 1.58 C ATOM 2431 OD1 ASP I 72 147.495 8.376 -1.706 1.00 2.46 O ATOM 2432 OD2 ASP I 72 149.168 9.700 -1.405 1.00 2.19 O ATOM 0 H ASP I 72 146.117 8.383 -3.334 1.00 0.42 H new ATOM 0 HA ASP I 72 146.326 11.292 -4.146 1.00 0.46 H new ATOM 0 HB2 ASP I 72 147.753 11.578 -2.184 1.00 0.49 H new ATOM 0 HB3 ASP I 72 146.302 10.787 -1.600 1.00 0.49 H new ATOM 2437 N ASP I 73 148.957 10.747 -4.601 1.00 0.57 N ATOM 2438 CA ASP I 73 150.142 10.359 -5.418 1.00 0.70 C ATOM 2439 C ASP I 73 151.436 10.770 -4.712 1.00 0.59 C ATOM 2440 O ASP I 73 152.431 11.065 -5.342 1.00 0.63 O ATOM 2441 CB ASP I 73 149.983 11.119 -6.733 1.00 0.91 C ATOM 2442 CG ASP I 73 150.142 12.620 -6.480 1.00 1.02 C ATOM 2443 OD1 ASP I 73 150.084 13.016 -5.328 1.00 1.47 O ATOM 2444 OD2 ASP I 73 150.320 13.347 -7.443 1.00 1.65 O ATOM 0 H ASP I 73 149.030 11.648 -4.128 1.00 0.57 H new ATOM 0 HA ASP I 73 150.198 9.282 -5.574 1.00 0.70 H new ATOM 0 HB2 ASP I 73 150.728 10.780 -7.453 1.00 0.91 H new ATOM 0 HB3 ASP I 73 149.004 10.915 -7.167 1.00 0.91 H new ATOM 2449 N ASP I 74 151.431 10.788 -3.408 1.00 0.56 N ATOM 2450 CA ASP I 74 152.663 11.176 -2.664 1.00 0.53 C ATOM 2451 C ASP I 74 152.964 10.146 -1.572 1.00 0.61 C ATOM 2452 O ASP I 74 153.926 10.268 -0.839 1.00 0.91 O ATOM 2453 CB ASP I 74 152.342 12.536 -2.044 1.00 0.55 C ATOM 2454 CG ASP I 74 153.019 13.641 -2.858 1.00 1.00 C ATOM 2455 OD1 ASP I 74 154.033 13.358 -3.474 1.00 1.68 O ATOM 2456 OD2 ASP I 74 152.513 14.751 -2.849 1.00 1.58 O ATOM 0 H ASP I 74 150.628 10.551 -2.825 1.00 0.56 H new ATOM 0 HA ASP I 74 153.539 11.221 -3.311 1.00 0.53 H new ATOM 0 HB2 ASP I 74 151.264 12.693 -2.024 1.00 0.55 H new ATOM 0 HB3 ASP I 74 152.688 12.567 -1.011 1.00 0.55 H new ATOM 2461 N TYR I 75 152.149 9.133 -1.456 1.00 0.57 N ATOM 2462 CA TYR I 75 152.391 8.099 -0.409 1.00 0.65 C ATOM 2463 C TYR I 75 152.359 6.695 -1.019 1.00 0.89 C ATOM 2464 O TYR I 75 152.677 5.720 -0.367 1.00 1.13 O ATOM 2465 CB TYR I 75 151.245 8.271 0.589 1.00 0.55 C ATOM 2466 CG TYR I 75 151.205 7.080 1.516 1.00 0.51 C ATOM 2467 CD1 TYR I 75 152.140 6.967 2.551 1.00 1.36 C ATOM 2468 CD2 TYR I 75 150.232 6.088 1.340 1.00 1.26 C ATOM 2469 CE1 TYR I 75 152.104 5.862 3.409 1.00 1.35 C ATOM 2470 CE2 TYR I 75 150.196 4.983 2.198 1.00 1.31 C ATOM 2471 CZ TYR I 75 151.132 4.870 3.233 1.00 0.59 C ATOM 2472 OH TYR I 75 151.097 3.781 4.080 1.00 0.69 O ATOM 0 H TYR I 75 151.327 8.977 -2.040 1.00 0.57 H new ATOM 0 HA TYR I 75 153.368 8.215 0.060 1.00 0.65 H new ATOM 0 HB2 TYR I 75 151.382 9.188 1.162 1.00 0.55 H new ATOM 0 HB3 TYR I 75 150.297 8.365 0.059 1.00 0.55 H new ATOM 0 HD1 TYR I 75 152.889 7.733 2.688 1.00 1.36 H new ATOM 0 HD2 TYR I 75 149.509 6.176 0.542 1.00 1.26 H new ATOM 0 HE1 TYR I 75 152.826 5.775 4.207 1.00 1.35 H new ATOM 0 HE2 TYR I 75 149.446 4.218 2.062 1.00 1.31 H new ATOM 0 HH TYR I 75 151.434 4.042 4.962 1.00 0.69 H new ATOM 2482 N PHE I 76 151.976 6.578 -2.262 1.00 0.94 N ATOM 2483 CA PHE I 76 151.927 5.229 -2.894 1.00 1.24 C ATOM 2484 C PHE I 76 153.200 4.986 -3.718 1.00 1.23 C ATOM 2485 O PHE I 76 153.362 3.956 -4.340 1.00 1.37 O ATOM 2486 CB PHE I 76 150.639 5.240 -3.746 1.00 1.36 C ATOM 2487 CG PHE I 76 150.928 5.416 -5.223 1.00 1.21 C ATOM 2488 CD1 PHE I 76 151.461 4.359 -5.970 1.00 1.81 C ATOM 2489 CD2 PHE I 76 150.636 6.634 -5.848 1.00 1.73 C ATOM 2490 CE1 PHE I 76 151.706 4.521 -7.339 1.00 2.20 C ATOM 2491 CE2 PHE I 76 150.876 6.794 -7.218 1.00 2.08 C ATOM 2492 CZ PHE I 76 151.412 5.739 -7.963 1.00 2.09 C ATOM 0 H PHE I 76 151.697 7.353 -2.863 1.00 0.94 H new ATOM 0 HA PHE I 76 151.897 4.411 -2.174 1.00 1.24 H new ATOM 0 HB2 PHE I 76 150.097 4.307 -3.593 1.00 1.36 H new ATOM 0 HB3 PHE I 76 149.988 6.046 -3.407 1.00 1.36 H new ATOM 0 HD1 PHE I 76 151.683 3.418 -5.490 1.00 1.81 H new ATOM 0 HD2 PHE I 76 150.225 7.451 -5.273 1.00 1.73 H new ATOM 0 HE1 PHE I 76 152.122 3.706 -7.913 1.00 2.20 H new ATOM 0 HE2 PHE I 76 150.647 7.733 -7.700 1.00 2.08 H new ATOM 0 HZ PHE I 76 151.599 5.864 -9.019 1.00 2.09 H new ATOM 2502 N LEU I 77 154.119 5.917 -3.701 1.00 1.17 N ATOM 2503 CA LEU I 77 155.390 5.722 -4.465 1.00 1.27 C ATOM 2504 C LEU I 77 156.505 5.279 -3.511 1.00 1.18 C ATOM 2505 O LEU I 77 157.645 5.127 -3.903 1.00 1.21 O ATOM 2506 CB LEU I 77 155.756 7.081 -5.087 1.00 1.59 C ATOM 2507 CG LEU I 77 154.523 7.977 -5.249 1.00 0.95 C ATOM 2508 CD1 LEU I 77 154.934 9.275 -5.944 1.00 0.93 C ATOM 2509 CD2 LEU I 77 153.473 7.267 -6.102 1.00 1.36 C ATOM 0 H LEU I 77 154.046 6.799 -3.195 1.00 1.17 H new ATOM 0 HA LEU I 77 155.268 4.958 -5.233 1.00 1.27 H new ATOM 0 HB2 LEU I 77 156.492 7.583 -4.459 1.00 1.59 H new ATOM 0 HB3 LEU I 77 156.222 6.923 -6.060 1.00 1.59 H new ATOM 0 HG LEU I 77 154.105 8.194 -4.266 1.00 0.95 H new ATOM 0 HD11 LEU I 77 154.061 9.917 -6.062 1.00 0.93 H new ATOM 0 HD12 LEU I 77 155.683 9.789 -5.342 1.00 0.93 H new ATOM 0 HD13 LEU I 77 155.351 9.046 -6.925 1.00 0.93 H new ATOM 0 HD21 LEU I 77 152.599 7.909 -6.213 1.00 1.36 H new ATOM 0 HD22 LEU I 77 153.890 7.048 -7.085 1.00 1.36 H new ATOM 0 HD23 LEU I 77 153.179 6.336 -5.617 1.00 1.36 H new ATOM 2521 N CYS I 78 156.189 5.082 -2.259 1.00 1.16 N ATOM 2522 CA CYS I 78 157.236 4.660 -1.282 1.00 1.22 C ATOM 2523 C CYS I 78 157.508 3.159 -1.402 1.00 1.05 C ATOM 2524 O CYS I 78 158.635 2.738 -1.574 1.00 1.20 O ATOM 2525 CB CYS I 78 156.653 4.989 0.092 1.00 1.40 C ATOM 2526 SG CYS I 78 157.852 5.959 1.039 1.00 1.82 S ATOM 0 H CYS I 78 155.253 5.195 -1.870 1.00 1.16 H new ATOM 0 HA CYS I 78 158.185 5.167 -1.456 1.00 1.22 H new ATOM 0 HB2 CYS I 78 155.724 5.548 -0.020 1.00 1.40 H new ATOM 0 HB3 CYS I 78 156.410 4.070 0.625 1.00 1.40 H new ATOM 0 HG CYS I 78 157.356 6.241 2.207 1.00 1.82 H new ATOM 2532 N LEU I 79 156.486 2.351 -1.311 1.00 0.86 N ATOM 2533 CA LEU I 79 156.688 0.876 -1.420 1.00 0.77 C ATOM 2534 C LEU I 79 157.705 0.567 -2.526 1.00 0.68 C ATOM 2535 O LEU I 79 157.866 1.342 -3.447 1.00 0.67 O ATOM 2536 CB LEU I 79 155.310 0.316 -1.777 1.00 0.81 C ATOM 2537 CG LEU I 79 154.302 0.715 -0.697 1.00 0.85 C ATOM 2538 CD1 LEU I 79 153.043 1.282 -1.356 1.00 1.04 C ATOM 2539 CD2 LEU I 79 153.929 -0.515 0.133 1.00 1.16 C ATOM 0 H LEU I 79 155.521 2.647 -1.166 1.00 0.86 H new ATOM 0 HA LEU I 79 157.077 0.437 -0.501 1.00 0.77 H new ATOM 0 HB2 LEU I 79 154.991 0.698 -2.747 1.00 0.81 H new ATOM 0 HB3 LEU I 79 155.358 -0.770 -1.862 1.00 0.81 H new ATOM 0 HG LEU I 79 154.746 1.471 -0.050 1.00 0.85 H new ATOM 0 HD11 LEU I 79 152.326 1.566 -0.586 1.00 1.04 H new ATOM 0 HD12 LEU I 79 153.306 2.159 -1.948 1.00 1.04 H new ATOM 0 HD13 LEU I 79 152.600 0.526 -2.004 1.00 1.04 H new ATOM 0 HD21 LEU I 79 153.211 -0.231 0.902 1.00 1.16 H new ATOM 0 HD22 LEU I 79 153.486 -1.271 -0.515 1.00 1.16 H new ATOM 0 HD23 LEU I 79 154.824 -0.921 0.604 1.00 1.16 H new ATOM 2551 N PRO I 80 158.369 -0.556 -2.398 1.00 0.72 N ATOM 2552 CA PRO I 80 159.386 -0.956 -3.400 1.00 0.73 C ATOM 2553 C PRO I 80 158.756 -1.078 -4.790 1.00 0.61 C ATOM 2554 O PRO I 80 157.556 -0.974 -4.949 1.00 0.69 O ATOM 2555 CB PRO I 80 159.854 -2.318 -2.878 1.00 0.90 C ATOM 2556 CG PRO I 80 159.085 -2.644 -1.582 1.00 1.00 C ATOM 2557 CD PRO I 80 158.140 -1.478 -1.262 1.00 0.89 C ATOM 0 HA PRO I 80 160.199 -0.238 -3.512 1.00 0.73 H new ATOM 0 HB2 PRO I 80 159.677 -3.090 -3.626 1.00 0.90 H new ATOM 0 HB3 PRO I 80 160.927 -2.300 -2.686 1.00 0.90 H new ATOM 0 HG2 PRO I 80 158.518 -3.567 -1.701 1.00 1.00 H new ATOM 0 HG3 PRO I 80 159.782 -2.802 -0.759 1.00 1.00 H new ATOM 0 HD2 PRO I 80 157.101 -1.802 -1.206 1.00 0.89 H new ATOM 0 HD3 PRO I 80 158.380 -1.012 -0.307 1.00 0.89 H new ATOM 2565 N SER I 81 159.558 -1.294 -5.796 1.00 0.58 N ATOM 2566 CA SER I 81 159.008 -1.420 -7.177 1.00 0.60 C ATOM 2567 C SER I 81 158.156 -2.688 -7.290 1.00 0.73 C ATOM 2568 O SER I 81 158.427 -3.560 -8.091 1.00 1.48 O ATOM 2569 CB SER I 81 160.234 -1.517 -8.085 1.00 0.71 C ATOM 2570 OG SER I 81 161.380 -1.822 -7.301 1.00 1.25 O ATOM 0 H SER I 81 160.571 -1.389 -5.722 1.00 0.58 H new ATOM 0 HA SER I 81 158.368 -0.580 -7.446 1.00 0.60 H new ATOM 0 HB2 SER I 81 160.081 -2.288 -8.840 1.00 0.71 H new ATOM 0 HB3 SER I 81 160.383 -0.576 -8.615 1.00 0.71 H new ATOM 0 HG SER I 81 162.166 -1.886 -7.882 1.00 1.25 H new ATOM 2576 N ASN I 82 157.130 -2.797 -6.492 1.00 0.74 N ATOM 2577 CA ASN I 82 156.264 -4.009 -6.552 1.00 0.75 C ATOM 2578 C ASN I 82 155.240 -3.983 -5.415 1.00 0.69 C ATOM 2579 O ASN I 82 155.589 -4.018 -4.251 1.00 1.04 O ATOM 2580 CB ASN I 82 157.224 -5.186 -6.382 1.00 0.97 C ATOM 2581 CG ASN I 82 157.352 -5.936 -7.709 1.00 1.56 C ATOM 2582 OD1 ASN I 82 156.908 -5.460 -8.735 1.00 2.23 O ATOM 2583 ND2 ASN I 82 157.944 -7.098 -7.732 1.00 2.27 N ATOM 0 H ASN I 82 156.853 -2.100 -5.801 1.00 0.74 H new ATOM 0 HA ASN I 82 155.702 -4.071 -7.484 1.00 0.75 H new ATOM 0 HB2 ASN I 82 158.201 -4.828 -6.059 1.00 0.97 H new ATOM 0 HB3 ASN I 82 156.858 -5.858 -5.606 1.00 0.97 H new ATOM 0 HD21 ASN I 82 158.034 -7.607 -8.611 1.00 2.27 H new ATOM 0 HD22 ASN I 82 158.317 -7.498 -6.871 1.00 2.27 H new ATOM 2590 N THR I 83 153.978 -3.923 -5.741 1.00 0.59 N ATOM 2591 CA THR I 83 152.933 -3.896 -4.678 1.00 0.59 C ATOM 2592 C THR I 83 151.591 -4.368 -5.244 1.00 0.49 C ATOM 2593 O THR I 83 151.299 -4.185 -6.410 1.00 0.54 O ATOM 2594 CB THR I 83 152.849 -2.431 -4.245 1.00 0.67 C ATOM 2595 OG1 THR I 83 154.093 -1.793 -4.500 1.00 0.78 O ATOM 2596 CG2 THR I 83 152.530 -2.355 -2.751 1.00 0.94 C ATOM 0 H THR I 83 153.625 -3.891 -6.697 1.00 0.59 H new ATOM 0 HA THR I 83 153.174 -4.555 -3.843 1.00 0.59 H new ATOM 0 HB THR I 83 152.061 -1.930 -4.807 1.00 0.67 H new ATOM 0 HG1 THR I 83 154.042 -0.854 -4.225 1.00 0.78 H new ATOM 0 HG21 THR I 83 152.471 -1.311 -2.444 1.00 0.94 H new ATOM 0 HG22 THR I 83 151.576 -2.845 -2.557 1.00 0.94 H new ATOM 0 HG23 THR I 83 153.316 -2.855 -2.185 1.00 0.94 H new ATOM 2604 N LYS I 84 150.771 -4.974 -4.429 1.00 0.49 N ATOM 2605 CA LYS I 84 149.450 -5.457 -4.924 1.00 0.43 C ATOM 2606 C LYS I 84 148.434 -4.312 -4.920 1.00 0.38 C ATOM 2607 O LYS I 84 147.820 -4.017 -3.914 1.00 0.45 O ATOM 2608 CB LYS I 84 149.031 -6.548 -3.937 1.00 0.51 C ATOM 2609 CG LYS I 84 149.534 -7.905 -4.433 1.00 0.56 C ATOM 2610 CD LYS I 84 150.474 -8.513 -3.390 1.00 0.82 C ATOM 2611 CE LYS I 84 151.770 -8.963 -4.070 1.00 1.04 C ATOM 2612 NZ LYS I 84 152.567 -9.605 -2.988 1.00 1.42 N ATOM 0 H LYS I 84 150.958 -5.155 -3.443 1.00 0.49 H new ATOM 0 HA LYS I 84 149.504 -5.831 -5.946 1.00 0.43 H new ATOM 0 HB2 LYS I 84 149.439 -6.336 -2.949 1.00 0.51 H new ATOM 0 HB3 LYS I 84 147.946 -6.565 -3.836 1.00 0.51 H new ATOM 0 HG2 LYS I 84 148.692 -8.573 -4.613 1.00 0.56 H new ATOM 0 HG3 LYS I 84 150.055 -7.787 -5.383 1.00 0.56 H new ATOM 0 HD2 LYS I 84 150.694 -7.781 -2.613 1.00 0.82 H new ATOM 0 HD3 LYS I 84 149.993 -9.361 -2.902 1.00 0.82 H new ATOM 0 HE2 LYS I 84 151.568 -9.663 -4.881 1.00 1.04 H new ATOM 0 HE3 LYS I 84 152.303 -8.117 -4.504 1.00 1.04 H new ATOM 0 HZ1 LYS I 84 153.472 -9.940 -3.376 1.00 1.42 H new ATOM 0 HZ2 LYS I 84 152.749 -8.913 -2.233 1.00 1.42 H new ATOM 0 HZ3 LYS I 84 152.037 -10.411 -2.598 1.00 1.42 H new ATOM 2626 N PHE I 85 148.254 -3.664 -6.038 1.00 0.32 N ATOM 2627 CA PHE I 85 147.279 -2.537 -6.099 1.00 0.30 C ATOM 2628 C PHE I 85 145.916 -3.042 -6.579 1.00 0.28 C ATOM 2629 O PHE I 85 145.723 -3.324 -7.746 1.00 0.32 O ATOM 2630 CB PHE I 85 147.874 -1.555 -7.108 1.00 0.31 C ATOM 2631 CG PHE I 85 148.773 -0.578 -6.388 1.00 0.32 C ATOM 2632 CD1 PHE I 85 149.613 -1.026 -5.362 1.00 1.30 C ATOM 2633 CD2 PHE I 85 148.766 0.775 -6.747 1.00 1.19 C ATOM 2634 CE1 PHE I 85 150.446 -0.120 -4.694 1.00 1.35 C ATOM 2635 CE2 PHE I 85 149.599 1.680 -6.080 1.00 1.18 C ATOM 2636 CZ PHE I 85 150.439 1.233 -5.053 1.00 0.44 C ATOM 0 H PHE I 85 148.739 -3.866 -6.912 1.00 0.32 H new ATOM 0 HA PHE I 85 147.120 -2.074 -5.125 1.00 0.30 H new ATOM 0 HB2 PHE I 85 148.440 -2.095 -7.867 1.00 0.31 H new ATOM 0 HB3 PHE I 85 147.077 -1.020 -7.625 1.00 0.31 H new ATOM 0 HD1 PHE I 85 149.619 -2.070 -5.086 1.00 1.30 H new ATOM 0 HD2 PHE I 85 148.118 1.120 -7.539 1.00 1.19 H new ATOM 0 HE1 PHE I 85 151.094 -0.465 -3.902 1.00 1.35 H new ATOM 0 HE2 PHE I 85 149.594 2.724 -6.357 1.00 1.18 H new ATOM 0 HZ PHE I 85 151.081 1.932 -4.538 1.00 0.44 H new ATOM 2646 N VAL I 86 144.968 -3.159 -5.689 1.00 0.29 N ATOM 2647 CA VAL I 86 143.619 -3.646 -6.096 1.00 0.30 C ATOM 2648 C VAL I 86 142.811 -2.506 -6.722 1.00 0.29 C ATOM 2649 O VAL I 86 142.396 -1.584 -6.048 1.00 0.34 O ATOM 2650 CB VAL I 86 142.962 -4.121 -4.800 1.00 0.35 C ATOM 2651 CG1 VAL I 86 141.531 -4.577 -5.088 1.00 0.40 C ATOM 2652 CG2 VAL I 86 143.762 -5.292 -4.223 1.00 0.44 C ATOM 0 H VAL I 86 145.069 -2.939 -4.698 1.00 0.29 H new ATOM 0 HA VAL I 86 143.674 -4.441 -6.840 1.00 0.30 H new ATOM 0 HB VAL I 86 142.944 -3.301 -4.082 1.00 0.35 H new ATOM 0 HG11 VAL I 86 141.064 -4.915 -4.163 1.00 0.40 H new ATOM 0 HG12 VAL I 86 140.960 -3.745 -5.500 1.00 0.40 H new ATOM 0 HG13 VAL I 86 141.548 -5.396 -5.807 1.00 0.40 H new ATOM 0 HG21 VAL I 86 143.295 -5.632 -3.299 1.00 0.44 H new ATOM 0 HG22 VAL I 86 143.780 -6.110 -4.943 1.00 0.44 H new ATOM 0 HG23 VAL I 86 144.782 -4.969 -4.016 1.00 0.44 H new ATOM 2662 N ALA I 87 142.585 -2.561 -8.006 1.00 0.29 N ATOM 2663 CA ALA I 87 141.805 -1.479 -8.673 1.00 0.32 C ATOM 2664 C ALA I 87 140.305 -1.697 -8.457 1.00 0.36 C ATOM 2665 O ALA I 87 139.782 -2.767 -8.699 1.00 0.51 O ATOM 2666 CB ALA I 87 142.156 -1.596 -10.157 1.00 0.34 C ATOM 0 H ALA I 87 142.906 -3.308 -8.622 1.00 0.29 H new ATOM 0 HA ALA I 87 142.042 -0.493 -8.274 1.00 0.32 H new ATOM 0 HB1 ALA I 87 141.620 -0.831 -10.719 1.00 0.34 H new ATOM 0 HB2 ALA I 87 143.229 -1.458 -10.289 1.00 0.34 H new ATOM 0 HB3 ALA I 87 141.869 -2.582 -10.522 1.00 0.34 H new ATOM 2672 N LEU I 88 139.609 -0.691 -8.002 1.00 0.41 N ATOM 2673 CA LEU I 88 138.143 -0.843 -7.771 1.00 0.45 C ATOM 2674 C LEU I 88 137.367 0.184 -8.599 1.00 0.53 C ATOM 2675 O LEU I 88 137.004 1.238 -8.115 1.00 0.72 O ATOM 2676 CB LEU I 88 137.948 -0.584 -6.277 1.00 0.50 C ATOM 2677 CG LEU I 88 137.433 -1.857 -5.604 1.00 0.53 C ATOM 2678 CD1 LEU I 88 138.598 -2.583 -4.930 1.00 0.56 C ATOM 2679 CD2 LEU I 88 136.385 -1.488 -4.551 1.00 0.64 C ATOM 0 H LEU I 88 139.991 0.229 -7.780 1.00 0.41 H new ATOM 0 HA LEU I 88 137.779 -1.828 -8.065 1.00 0.45 H new ATOM 0 HB2 LEU I 88 138.890 -0.276 -5.824 1.00 0.50 H new ATOM 0 HB3 LEU I 88 137.240 0.232 -6.127 1.00 0.50 H new ATOM 0 HG LEU I 88 136.983 -2.508 -6.353 1.00 0.53 H new ATOM 0 HD11 LEU I 88 138.232 -3.491 -4.450 1.00 0.56 H new ATOM 0 HD12 LEU I 88 139.346 -2.845 -5.679 1.00 0.56 H new ATOM 0 HD13 LEU I 88 139.048 -1.932 -4.180 1.00 0.56 H new ATOM 0 HD21 LEU I 88 136.017 -2.395 -4.071 1.00 0.64 H new ATOM 0 HD22 LEU I 88 136.836 -0.837 -3.802 1.00 0.64 H new ATOM 0 HD23 LEU I 88 135.555 -0.969 -5.030 1.00 0.64 H new ATOM 2691 N ALA I 89 137.109 -0.114 -9.842 1.00 0.54 N ATOM 2692 CA ALA I 89 136.355 0.846 -10.698 1.00 0.64 C ATOM 2693 C ALA I 89 134.917 0.985 -10.191 1.00 0.75 C ATOM 2694 O ALA I 89 133.972 0.649 -10.877 1.00 1.19 O ATOM 2695 CB ALA I 89 136.375 0.230 -12.097 1.00 0.78 C ATOM 0 H ALA I 89 137.387 -0.980 -10.303 1.00 0.54 H new ATOM 0 HA ALA I 89 136.794 1.844 -10.688 1.00 0.64 H new ATOM 0 HB1 ALA I 89 135.838 0.880 -12.788 1.00 0.78 H new ATOM 0 HB2 ALA I 89 137.407 0.119 -12.431 1.00 0.78 H new ATOM 0 HB3 ALA I 89 135.895 -0.748 -12.071 1.00 0.78 H new ATOM 2701 N CYS I 90 134.744 1.477 -8.995 1.00 0.69 N ATOM 2702 CA CYS I 90 133.367 1.636 -8.447 1.00 0.80 C ATOM 2703 C CYS I 90 132.528 0.395 -8.761 1.00 1.08 C ATOM 2704 O CYS I 90 131.344 0.483 -9.020 1.00 1.46 O ATOM 2705 CB CYS I 90 132.797 2.864 -9.157 1.00 0.92 C ATOM 2706 SG CYS I 90 131.581 3.670 -8.085 1.00 1.48 S ATOM 0 H CYS I 90 135.496 1.776 -8.374 1.00 0.69 H new ATOM 0 HA CYS I 90 133.364 1.755 -7.364 1.00 0.80 H new ATOM 0 HB2 CYS I 90 133.599 3.560 -9.403 1.00 0.92 H new ATOM 0 HB3 CYS I 90 132.331 2.570 -10.097 1.00 0.92 H new ATOM 0 HG CYS I 90 131.097 4.716 -8.687 1.00 1.48 H new ATOM 2712 N ASN I 91 133.133 -0.762 -8.742 1.00 0.96 N ATOM 2713 CA ASN I 91 132.370 -2.008 -9.040 1.00 1.28 C ATOM 2714 C ASN I 91 133.094 -3.224 -8.457 1.00 1.03 C ATOM 2715 O ASN I 91 132.548 -3.961 -7.661 1.00 1.10 O ATOM 2716 CB ASN I 91 132.328 -2.090 -10.566 1.00 1.65 C ATOM 2717 CG ASN I 91 131.105 -2.900 -11.000 1.00 2.25 C ATOM 2718 OD1 ASN I 91 130.488 -3.570 -10.195 1.00 2.77 O ATOM 2719 ND2 ASN I 91 130.725 -2.868 -12.248 1.00 2.67 N ATOM 0 H ASN I 91 134.122 -0.898 -8.533 1.00 0.96 H new ATOM 0 HA ASN I 91 131.371 -1.995 -8.604 1.00 1.28 H new ATOM 0 HB2 ASN I 91 132.284 -1.088 -10.994 1.00 1.65 H new ATOM 0 HB3 ASN I 91 133.239 -2.557 -10.941 1.00 1.65 H new ATOM 0 HD21 ASN I 91 129.911 -3.405 -12.547 1.00 2.67 H new ATOM 0 HD22 ASN I 91 131.242 -2.306 -12.924 1.00 2.67 H new ATOM 2726 N GLU I 92 134.321 -3.439 -8.847 1.00 0.81 N ATOM 2727 CA GLU I 92 135.079 -4.607 -8.315 1.00 0.65 C ATOM 2728 C GLU I 92 134.855 -4.740 -6.806 1.00 0.81 C ATOM 2729 O GLU I 92 134.661 -3.763 -6.110 1.00 1.39 O ATOM 2730 CB GLU I 92 136.546 -4.298 -8.614 1.00 0.51 C ATOM 2731 CG GLU I 92 136.916 -4.858 -9.989 1.00 0.64 C ATOM 2732 CD GLU I 92 136.373 -3.935 -11.080 1.00 1.00 C ATOM 2733 OE1 GLU I 92 136.580 -2.738 -10.974 1.00 1.80 O ATOM 2734 OE2 GLU I 92 135.757 -4.442 -12.004 1.00 1.40 O ATOM 0 H GLU I 92 134.831 -2.856 -9.511 1.00 0.81 H new ATOM 0 HA GLU I 92 134.761 -5.546 -8.767 1.00 0.65 H new ATOM 0 HB2 GLU I 92 136.714 -3.221 -8.591 1.00 0.51 H new ATOM 0 HB3 GLU I 92 137.185 -4.737 -7.847 1.00 0.51 H new ATOM 0 HG2 GLU I 92 137.999 -4.946 -10.078 1.00 0.64 H new ATOM 0 HG3 GLU I 92 136.504 -5.860 -10.108 1.00 0.64 H new ATOM 2741 N LYS I 93 134.880 -5.941 -6.296 1.00 1.30 N ATOM 2742 CA LYS I 93 134.669 -6.134 -4.833 1.00 1.54 C ATOM 2743 C LYS I 93 135.775 -5.432 -4.042 1.00 1.25 C ATOM 2744 O LYS I 93 136.921 -5.407 -4.446 1.00 1.20 O ATOM 2745 CB LYS I 93 134.733 -7.647 -4.620 1.00 1.90 C ATOM 2746 CG LYS I 93 134.049 -8.005 -3.299 1.00 2.15 C ATOM 2747 CD LYS I 93 134.355 -9.462 -2.944 1.00 2.19 C ATOM 2748 CE LYS I 93 135.647 -9.528 -2.128 1.00 2.03 C ATOM 2749 NZ LYS I 93 135.589 -10.839 -1.423 1.00 2.46 N ATOM 0 H LYS I 93 135.037 -6.797 -6.829 1.00 1.30 H new ATOM 0 HA LYS I 93 133.722 -5.715 -4.493 1.00 1.54 H new ATOM 0 HB2 LYS I 93 134.244 -8.162 -5.447 1.00 1.90 H new ATOM 0 HB3 LYS I 93 135.771 -7.980 -4.606 1.00 1.90 H new ATOM 0 HG2 LYS I 93 134.399 -7.345 -2.505 1.00 2.15 H new ATOM 0 HG3 LYS I 93 132.972 -7.859 -3.383 1.00 2.15 H new ATOM 0 HD2 LYS I 93 133.530 -9.889 -2.374 1.00 2.19 H new ATOM 0 HD3 LYS I 93 134.456 -10.055 -3.853 1.00 2.19 H new ATOM 0 HE2 LYS I 93 136.524 -9.464 -2.772 1.00 2.03 H new ATOM 0 HE3 LYS I 93 135.710 -8.701 -1.420 1.00 2.03 H new ATOM 0 HZ1 LYS I 93 136.443 -10.958 -0.841 1.00 2.46 H new ATOM 0 HZ2 LYS I 93 134.747 -10.868 -0.813 1.00 2.46 H new ATOM 0 HZ3 LYS I 93 135.537 -11.607 -2.122 1.00 2.46 H new ATOM 2763 N TRP I 94 135.442 -4.860 -2.917 1.00 1.27 N ATOM 2764 CA TRP I 94 136.475 -4.159 -2.101 1.00 1.23 C ATOM 2765 C TRP I 94 137.342 -5.177 -1.356 1.00 1.12 C ATOM 2766 O TRP I 94 136.944 -6.305 -1.138 1.00 1.20 O ATOM 2767 CB TRP I 94 135.683 -3.302 -1.113 1.00 1.70 C ATOM 2768 CG TRP I 94 136.321 -1.954 -0.997 1.00 1.00 C ATOM 2769 CD1 TRP I 94 136.001 -0.876 -1.750 1.00 1.09 C ATOM 2770 CD2 TRP I 94 137.376 -1.521 -0.091 1.00 0.97 C ATOM 2771 NE1 TRP I 94 136.793 0.190 -1.363 1.00 0.90 N ATOM 2772 CE2 TRP I 94 137.657 -0.158 -0.344 1.00 1.34 C ATOM 2773 CE3 TRP I 94 138.110 -2.173 0.917 1.00 1.42 C ATOM 2774 CZ2 TRP I 94 138.631 0.535 0.377 1.00 2.31 C ATOM 2775 CZ3 TRP I 94 139.091 -1.480 1.644 1.00 2.39 C ATOM 2776 CH2 TRP I 94 139.351 -0.128 1.374 1.00 2.87 C ATOM 0 H TRP I 94 134.499 -4.848 -2.527 1.00 1.27 H new ATOM 0 HA TRP I 94 137.148 -3.559 -2.713 1.00 1.23 H new ATOM 0 HB2 TRP I 94 134.651 -3.200 -1.450 1.00 1.70 H new ATOM 0 HB3 TRP I 94 135.653 -3.787 -0.137 1.00 1.70 H new ATOM 0 HD1 TRP I 94 135.250 -0.852 -2.526 1.00 1.09 H new ATOM 0 HE1 TRP I 94 136.745 1.120 -1.780 1.00 0.90 H new ATOM 0 HE3 TRP I 94 137.917 -3.214 1.133 1.00 1.42 H new ATOM 0 HZ2 TRP I 94 138.827 1.576 0.166 1.00 2.31 H new ATOM 0 HZ3 TRP I 94 139.649 -1.990 2.415 1.00 2.39 H new ATOM 0 HH2 TRP I 94 140.107 0.400 1.936 1.00 2.87 H new ATOM 2787 N THR I 95 138.525 -4.790 -0.963 1.00 1.09 N ATOM 2788 CA THR I 95 139.416 -5.736 -0.232 1.00 1.11 C ATOM 2789 C THR I 95 139.168 -5.641 1.275 1.00 1.07 C ATOM 2790 O THR I 95 140.063 -5.829 2.075 1.00 1.34 O ATOM 2791 CB THR I 95 140.837 -5.284 -0.572 1.00 1.35 C ATOM 2792 OG1 THR I 95 140.886 -3.864 -0.597 1.00 1.75 O ATOM 2793 CG2 THR I 95 141.235 -5.834 -1.942 1.00 1.61 C ATOM 0 H THR I 95 138.913 -3.859 -1.117 1.00 1.09 H new ATOM 0 HA THR I 95 139.239 -6.773 -0.517 1.00 1.11 H new ATOM 0 HB THR I 95 141.529 -5.659 0.182 1.00 1.35 H new ATOM 0 HG1 THR I 95 141.796 -3.572 -0.813 1.00 1.75 H new ATOM 0 HG21 THR I 95 142.248 -5.511 -2.183 1.00 1.61 H new ATOM 0 HG22 THR I 95 141.196 -6.923 -1.922 1.00 1.61 H new ATOM 0 HG23 THR I 95 140.545 -5.460 -2.699 1.00 1.61 H new ATOM 2801 N TYR I 96 137.959 -5.349 1.669 1.00 1.40 N ATOM 2802 CA TYR I 96 137.654 -5.241 3.125 1.00 1.57 C ATOM 2803 C TYR I 96 136.462 -6.132 3.483 1.00 1.59 C ATOM 2804 O TYR I 96 136.570 -7.035 4.290 1.00 2.04 O ATOM 2805 CB TYR I 96 137.309 -3.768 3.348 1.00 1.84 C ATOM 2806 CG TYR I 96 137.006 -3.536 4.809 1.00 2.31 C ATOM 2807 CD1 TYR I 96 138.048 -3.498 5.743 1.00 2.30 C ATOM 2808 CD2 TYR I 96 135.682 -3.360 5.229 1.00 3.22 C ATOM 2809 CE1 TYR I 96 137.766 -3.284 7.097 1.00 2.80 C ATOM 2810 CE2 TYR I 96 135.400 -3.145 6.583 1.00 3.70 C ATOM 2811 CZ TYR I 96 136.442 -3.107 7.517 1.00 3.35 C ATOM 2812 OH TYR I 96 136.164 -2.896 8.852 1.00 3.91 O ATOM 0 H TYR I 96 137.169 -5.180 1.046 1.00 1.40 H new ATOM 0 HA TYR I 96 138.489 -5.563 3.747 1.00 1.57 H new ATOM 0 HB2 TYR I 96 138.141 -3.137 3.034 1.00 1.84 H new ATOM 0 HB3 TYR I 96 136.449 -3.489 2.739 1.00 1.84 H new ATOM 0 HD1 TYR I 96 139.069 -3.634 5.419 1.00 2.30 H new ATOM 0 HD2 TYR I 96 134.878 -3.390 4.508 1.00 3.22 H new ATOM 0 HE1 TYR I 96 138.570 -3.255 7.818 1.00 2.80 H new ATOM 0 HE2 TYR I 96 134.379 -3.008 6.907 1.00 3.70 H new ATOM 0 HH TYR I 96 135.197 -2.792 8.972 1.00 3.91 H new ATOM 2822 N ASN I 97 135.326 -5.886 2.890 1.00 1.82 N ATOM 2823 CA ASN I 97 134.128 -6.720 3.197 1.00 2.24 C ATOM 2824 C ASN I 97 134.029 -6.970 4.704 1.00 2.41 C ATOM 2825 O ASN I 97 134.018 -8.097 5.157 1.00 2.74 O ATOM 2826 CB ASN I 97 134.358 -8.035 2.450 1.00 2.53 C ATOM 2827 CG ASN I 97 133.069 -8.449 1.736 1.00 3.11 C ATOM 2828 OD1 ASN I 97 132.364 -7.617 1.200 1.00 3.52 O ATOM 2829 ND2 ASN I 97 132.731 -9.709 1.706 1.00 3.70 N ATOM 0 H ASN I 97 135.175 -5.144 2.206 1.00 1.82 H new ATOM 0 HA ASN I 97 133.200 -6.236 2.894 1.00 2.24 H new ATOM 0 HB2 ASN I 97 135.165 -7.918 1.727 1.00 2.53 H new ATOM 0 HB3 ASN I 97 134.665 -8.813 3.148 1.00 2.53 H new ATOM 0 HD21 ASN I 97 131.874 -9.996 1.232 1.00 3.70 H new ATOM 0 HD22 ASN I 97 133.323 -10.407 2.156 1.00 3.70 H new ATOM 2836 N ASP I 98 133.957 -5.926 5.485 1.00 2.48 N ATOM 2837 CA ASP I 98 133.858 -6.105 6.962 1.00 2.84 C ATOM 2838 C ASP I 98 134.831 -7.191 7.429 1.00 2.81 C ATOM 2839 O ASP I 98 134.523 -7.983 8.297 1.00 3.26 O ATOM 2840 CB ASP I 98 132.413 -6.535 7.214 1.00 3.42 C ATOM 2841 CG ASP I 98 131.820 -5.695 8.346 1.00 4.10 C ATOM 2842 OD1 ASP I 98 131.571 -4.522 8.119 1.00 4.40 O ATOM 2843 OD2 ASP I 98 131.625 -6.238 9.421 1.00 4.70 O ATOM 0 H ASP I 98 133.962 -4.958 5.164 1.00 2.48 H new ATOM 0 HA ASP I 98 134.112 -5.195 7.506 1.00 2.84 H new ATOM 0 HB2 ASP I 98 131.822 -6.410 6.307 1.00 3.42 H new ATOM 0 HB3 ASP I 98 132.378 -7.593 7.475 1.00 3.42 H new ATOM 2848 N SER I 99 136.005 -7.235 6.860 1.00 2.65 N ATOM 2849 CA SER I 99 136.996 -8.270 7.272 1.00 3.19 C ATOM 2850 C SER I 99 137.932 -7.707 8.345 1.00 3.61 C ATOM 2851 O SER I 99 139.139 -7.779 8.230 1.00 4.15 O ATOM 2852 CB SER I 99 137.776 -8.600 6.001 1.00 3.20 C ATOM 2853 OG SER I 99 138.705 -9.640 6.277 1.00 3.79 O ATOM 0 H SER I 99 136.321 -6.599 6.128 1.00 2.65 H new ATOM 0 HA SER I 99 136.519 -9.153 7.698 1.00 3.19 H new ATOM 0 HB2 SER I 99 137.092 -8.908 5.210 1.00 3.20 H new ATOM 0 HB3 SER I 99 138.300 -7.714 5.642 1.00 3.20 H new ATOM 0 HG SER I 99 139.231 -9.407 7.070 1.00 3.79 H new ATOM 2859 N ASP I 100 137.383 -7.146 9.388 1.00 3.70 N ATOM 2860 CA ASP I 100 138.242 -6.578 10.467 1.00 4.28 C ATOM 2861 C ASP I 100 138.789 -7.701 11.352 1.00 4.55 C ATOM 2862 O ASP I 100 138.631 -7.688 12.557 1.00 4.79 O ATOM 2863 CB ASP I 100 137.314 -5.665 11.270 1.00 4.63 C ATOM 2864 CG ASP I 100 138.117 -4.951 12.359 1.00 5.10 C ATOM 2865 OD1 ASP I 100 138.721 -3.936 12.052 1.00 5.43 O ATOM 2866 OD2 ASP I 100 138.114 -5.430 13.480 1.00 5.50 O ATOM 2867 OXT ASP I 100 139.433 -8.673 10.764 1.00 4.91 O ATOM 0 H ASP I 100 136.378 -7.056 9.540 1.00 3.70 H new ATOM 0 HA ASP I 100 139.102 -6.038 10.071 1.00 4.28 H new ATOM 0 HB2 ASP I 100 136.846 -4.934 10.611 1.00 4.63 H new ATOM 0 HB3 ASP I 100 136.511 -6.249 11.719 1.00 4.63 H new TER 2872 ASP I 100 END