USER MOD reduce.3.24.130724 H: found=0, std=0, add=1404, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1400 hydrogens (0 hets) HEADER DNA-BINDING (VIRAL) 27-JUL-95 2GVB TITLE REFINED SOLUTION STRUCTURE OF THE TYR 41--> HIS MUTANT OF TITLE 2 THE M13 GENE V PROTEIN. A COMPARISON WITH THE CRYSTAL TITLE 3 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: GENE V PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE M13; SOURCE 3 ORGANISM_TAXID: 10870; SOURCE 4 EXPRESSION_SYSTEM_PLASMID: M13 KEYWDS DNA-BINDING (VIRAL) EXPDTA SOLUTION NMR AUTHOR P.J.M.FOLKERS,M.NILGES,R.H.A.FOLMER,J.J.PROMPERS, AUTHOR 2 R.N.H.KONINGS,C.W.HILBERS REVDAT 3 24-FEB-09 2GVB 1 VERSN REVDAT 2 01-APR-03 2GVB 1 JRNL REVDAT 1 15-OCT-95 2GVB 0 SPRSDE 15-OCT-95 2GVB 1GVB JRNL AUTH J.J.PROMPERS,R.H.FOLMER,M.NILGES,P.J.FOLKERS, JRNL AUTH 2 R.N.KONINGS,C.W.HILBERS JRNL TITL REFINED SOLUTION STRUCTURE OF THE TYR41-->HIS JRNL TITL 2 MUTANT OF THE M13 GENE V PROTEIN. A COMPARISON JRNL TITL 3 WITH THE CRYSTAL STRUCTURE. JRNL REF EUR.J.BIOCHEM. V. 232 506 1995 JRNL REFN ISSN 0014-2956 JRNL PMID 7556200 JRNL DOI 10.1111/J.1432-1033.1995.506ZZ.X REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH P.J.M.FOLKERS,M.NILGES,R.H.A.FOLMER,R.N.H.KONINGS, REMARK 1 AUTH 2 C.W.HILBERS REMARK 1 TITL THE SOLUTION STRUCTURE OF THE TYR 41--> HIS MUTANT REMARK 1 TITL 2 OF THE SINGLE-STRANDED DNA BINDING PROTEIN ENCODED REMARK 1 TITL 3 BY GENE V OF THE FILAMENTOUS BACTERIOPHAGE M13 REMARK 1 REF J.MOL.BIOL. V. 236 229 1994 REMARK 1 REFN ISSN 0022-2836 REMARK 1 REFERENCE 2 REMARK 1 AUTH P.J.M.FOLKERS,J.P.M.VAN DUYNHOVEN, REMARK 1 AUTH 2 H.T.M.VAN LIESHOUT,B.J.M.HARMSEN,J.H.VAN BOOM, REMARK 1 AUTH 3 G.I.TESSER,R.N.H.KONINGS,C.W.HILBERS REMARK 1 TITL EXPLORING THE DNA BINDING DOMAIN OF GENE V PROTEIN REMARK 1 TITL 2 ENCODED BY BACTERIOPHAGE M13 WITH THE AID OF REMARK 1 TITL 3 SPIN-LABELED OLIGONUCLEOTIDES IN COMBINATION WITH REMARK 1 TITL 4 H-NMR REMARK 1 REF BIOCHEMISTRY V. 32 9407 1993 REMARK 1 REFN ISSN 0006-2960 REMARK 1 REFERENCE 3 REMARK 1 AUTH P.J.M.FOLKERS,J.P.M.VAN DUYNHOVEN,A.J.JONKER, REMARK 1 AUTH 2 B.J.M.HARMSEN,R.N.H.KONINGS,C.W.HILBERS REMARK 1 TITL SEQUENCE-SPECIFIC H-NMR ASSIGNMENT AND SECONDARY REMARK 1 TITL 2 STRUCTURE OF THE TYR 41--> HIS MUTANT OF THE REMARK 1 TITL 3 SINGLE-STRANDED DNA BINDING PROTEIN, GENE V REMARK 1 TITL 4 PROTEIN, ENCODED BY THE FILAMENTOUS BACTERIOPHAGE REMARK 1 TITL 5 M13 REMARK 1 REF EUR.J.BIOCHEM. V. 202 349 1991 REMARK 1 REFN ISSN 0014-2956 REMARK 1 REFERENCE 4 REMARK 1 AUTH P.J.M.FOLKERS,A.P.M.STASSEN,J.P.M.VAN DUYNHOVEN, REMARK 1 AUTH 2 B.J.M.HARMSEN,R.N.H.KONINGS,C.W.HILBERS REMARK 1 TITL CHARACTERIZATION OF WILD-TYPE AND MUTANT M13 GENE REMARK 1 TITL 2 V PROTEINS BY MEANS OF H-NMR REMARK 1 REF EUR.J.BIOCHEM. V. 200 139 1991 REMARK 1 REFN ISSN 0014-2956 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DIANA, X-PLOR REMARK 3 AUTHORS : GUNTERT,BRAUN,WUTHRICH (DIANA), BRUNGER (X-PLOR) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2GVB COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL 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 VAL A 4 149.70 172.24 REMARK 500 LYS A 7 170.01 -44.15 REMARK 500 SER A 17 106.98 -54.38 REMARK 500 SER A 20 -78.81 -46.91 REMARK 500 ARG A 21 53.25 -148.62 REMARK 500 LEU A 37 21.40 48.98 REMARK 500 GLU A 40 -52.31 70.68 REMARK 500 TYR A 56 99.34 -47.65 REMARK 500 ALA A 57 171.79 -47.37 REMARK 500 MET A 77 117.49 -160.29 REMARK 500 ARG A 80 68.95 174.47 REMARK 500 LEU A 81 121.35 -31.48 REMARK 500 VAL B 4 149.74 172.27 REMARK 500 LYS B 7 170.03 -44.14 REMARK 500 SER B 17 107.02 -54.43 REMARK 500 SER B 20 -78.85 -46.91 REMARK 500 ARG B 21 53.17 -148.56 REMARK 500 LEU B 37 21.35 49.09 REMARK 500 GLU B 40 -52.36 70.61 REMARK 500 TYR B 56 98.08 -47.58 REMARK 500 ALA B 57 171.75 -46.20 REMARK 500 MET B 77 117.60 -160.27 REMARK 500 ARG B 80 69.07 174.39 REMARK 500 LEU B 81 121.31 -31.55 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2GVA RELATED DB: PDB DBREF 2GVB A 1 87 UNP P69544 VHED_BPM13 1 87 DBREF 2GVB B 1 87 UNP P69544 VHED_BPM13 1 87 SEQADV 2GVB HIS A 41 UNP P69544 TYR 41 CONFLICT SEQADV 2GVB HIS B 41 UNP P69544 TYR 41 CONFLICT SEQRES 1 A 87 MET ILE LYS VAL GLU ILE LYS PRO SER GLN ALA GLN PHE SEQRES 2 A 87 THR THR ARG SER GLY VAL SER ARG GLN GLY LYS PRO TYR SEQRES 3 A 87 SER LEU ASN GLU GLN LEU CYS TYR VAL ASP LEU GLY ASN SEQRES 4 A 87 GLU HIS PRO VAL LEU VAL LYS ILE THR LEU ASP GLU GLY SEQRES 5 A 87 GLN PRO ALA TYR ALA PRO GLY LEU TYR THR VAL HIS LEU SEQRES 6 A 87 SER SER PHE LYS VAL GLY GLN PHE GLY SER LEU MET ILE SEQRES 7 A 87 ASP ARG LEU ARG LEU VAL PRO ALA LYS SEQRES 1 B 87 MET ILE LYS VAL GLU ILE LYS PRO SER GLN ALA GLN PHE SEQRES 2 B 87 THR THR ARG SER GLY VAL SER ARG GLN GLY LYS PRO TYR SEQRES 3 B 87 SER LEU ASN GLU GLN LEU CYS TYR VAL ASP LEU GLY ASN SEQRES 4 B 87 GLU HIS PRO VAL LEU VAL LYS ILE THR LEU ASP GLU GLY SEQRES 5 B 87 GLN PRO ALA TYR ALA PRO GLY LEU TYR THR VAL HIS LEU SEQRES 6 B 87 SER SER PHE LYS VAL GLY GLN PHE GLY SER LEU MET ILE SEQRES 7 B 87 ASP ARG LEU ARG LEU VAL PRO ALA LYS HELIX 1 H1A LYS A 7 SER A 9 5 3 HELIX 2 H2A HIS A 64 SER A 67 5 4 HELIX 3 H1B LYS B 7 SER B 9 5 3 HELIX 4 H2B HIS B 64 SER B 67 5 4 SHEET 1 S1A 5 PRO A 42 THR A 48 0 SHEET 2 S1A 5 LYS A 24 ASP A 36 -1 O VAL A 35 N VAL A 43 SHEET 3 S1A 5 LYS A 3 ILE A 6 -1 O GLU A 5 N TYR A 34 SHEET 4 S1A 5 GLY A 59 HIS A 64 -1 O TYR A 61 N VAL A 4 SHEET 5 S1A 5 ARG A 82 ALA A 86 -1 O ARG A 82 N HIS A 64 SHEET 1 S1B 5 PHE A 13 SER A 20 0 SHEET 2 S1B 5 LYS A 24 ASP A 36 -1 O TYR A 26 N GLY A 18 SHEET 3 S1B 5 LYS A 3 ILE A 6 -1 O GLU A 5 N TYR A 34 SHEET 4 S1B 5 GLY A 59 HIS A 64 -1 O TYR A 61 N VAL A 4 SHEET 5 S1B 5 ARG A 82 ALA A 86 -1 O ARG A 82 N HIS A 64 SHEET 1 S2A 2 PHE A 68 GLY A 71 0 SHEET 2 S2A 2 SER A 75 ILE A 78 -1 O MET A 77 N LYS A 69 SHEET 1 S1C 5 PRO B 42 THR B 48 0 SHEET 2 S1C 5 LYS B 24 ASP B 36 -1 O VAL B 35 N VAL B 43 SHEET 3 S1C 5 LYS B 3 ILE B 6 -1 O GLU B 5 N TYR B 34 SHEET 4 S1C 5 GLY B 59 HIS B 64 -1 O TYR B 61 N VAL B 4 SHEET 5 S1C 5 ARG B 82 ALA B 86 -1 O ARG B 82 N HIS B 64 SHEET 1 S1D 5 PHE B 13 SER B 20 0 SHEET 2 S1D 5 LYS B 24 ASP B 36 -1 O TYR B 26 N GLY B 18 SHEET 3 S1D 5 LYS B 3 ILE B 6 -1 O GLU B 5 N TYR B 34 SHEET 4 S1D 5 GLY B 59 HIS B 64 -1 O TYR B 61 N VAL B 4 SHEET 5 S1D 5 ARG B 82 ALA B 86 -1 O ARG B 82 N HIS B 64 SHEET 1 S2B 2 PHE B 68 GLY B 71 0 SHEET 2 S2B 2 SER B 75 ILE B 78 -1 O MET B 77 N LYS B 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 Single : A 1 MET CE :methyl -150:sc= -0.399 (180deg=-2.01!) USER MOD Single : A 1 MET N :NH3+ 178:sc= 0 (180deg=-0.00439) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 139:sc= -2.31! (180deg=-5.88!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -2.06 K(o=-2.1,f=-8.1!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0205 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 44:sc= 0.00224 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -4.79! C(o=-4.8!,f=-11!) USER MOD Single : A 31 GLN : amide:sc= -8.65! C(o=-8.7!,f=-16!) USER MOD Single : A 33 CYS SG : rot 36:sc= -5.35! USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -4.89! C(o=-4.9!,f=-5.3!) USER MOD Single : A 41 HIS : no HD1:sc= -0.51 K(o=-0.51,f=-1.7) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -100:sc= -0.62 USER MOD Single : A 53 GLN : amide:sc= -0.444 K(o=-0.44,f=-2.5!) USER MOD Single : A 56 TYR OH : rot -12:sc= -0.0764 USER MOD Single : A 61 TYR OH : rot 22:sc= 0.893 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.54 USER MOD Single : A 64 HIS : no HD1:sc= -0.427 K(o=-0.43,f=-4!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -149:sc= -1.2 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot -5:sc= 1.1 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -156:sc= -0.324 (180deg=-2.1!) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 134:sc= -2.26! (180deg=-5.63!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= -2 K(o=-2,f=-8.3!) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0.0207 USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 45:sc= 0.00186 USER MOD Single : B 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 SER OG : rot 180:sc= 0 USER MOD Single : B 29 ASN : amide:sc= -4.95! C(o=-5!,f=-10!) USER MOD Single : B 31 GLN : amide:sc= -8.42! C(o=-8.4!,f=-16!) USER MOD Single : B 33 CYS SG : rot 38:sc= -5.47! USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 ASN : amide:sc= -4.97! C(o=-5!,f=-5.5!) USER MOD Single : B 41 HIS : no HD1:sc= -0.561 K(o=-0.56,f=-1.9) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 THR OG1 : rot -100:sc= -0.609 USER MOD Single : B 53 GLN : amide:sc= -0.481 K(o=-0.48,f=-2.5!) USER MOD Single : B 56 TYR OH : rot -12:sc= -0.0461 USER MOD Single : B 61 TYR OH : rot 22:sc= 1.06 USER MOD Single : B 62 THR OG1 : rot 180:sc= -0.565 USER MOD Single : B 64 HIS : no HD1:sc= -0.429 K(o=-0.43,f=-4.2!) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot -135:sc= -1.17 USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 75 SER OG : rot -5:sc= 0.983 USER MOD Single : B 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.813 17.885 2.703 1.00 3.63 N ATOM 2 CA MET A 1 -1.451 17.669 3.268 1.00 1.68 C ATOM 3 C MET A 1 -1.526 16.640 4.396 1.00 1.67 C ATOM 4 O MET A 1 -2.259 16.801 5.351 1.00 1.65 O ATOM 5 CB MET A 1 -0.908 18.996 3.810 1.00 2.24 C ATOM 6 CG MET A 1 0.275 18.739 4.751 1.00 4.58 C ATOM 7 SD MET A 1 0.826 20.315 5.453 1.00 6.89 S ATOM 8 CE MET A 1 1.167 21.156 3.887 1.00 6.92 C ATOM 0 H1 MET A 1 -2.769 18.610 1.958 1.00 3.63 H new ATOM 0 H2 MET A 1 -3.166 16.994 2.299 1.00 3.63 H new ATOM 0 H3 MET A 1 -3.455 18.202 3.457 1.00 3.63 H new ATOM 0 HA MET A 1 -0.785 17.300 2.488 1.00 1.68 H new ATOM 0 HB2 MET A 1 -0.593 19.633 2.984 1.00 2.24 H new ATOM 0 HB3 MET A 1 -1.696 19.530 4.342 1.00 2.24 H new ATOM 0 HG2 MET A 1 -0.019 18.055 5.547 1.00 4.58 H new ATOM 0 HG3 MET A 1 1.091 18.263 4.208 1.00 4.58 H new ATOM 0 HE1 MET A 1 1.970 21.879 4.030 1.00 6.92 H new ATOM 0 HE2 MET A 1 1.467 20.423 3.138 1.00 6.92 H new ATOM 0 HE3 MET A 1 0.269 21.673 3.549 1.00 6.92 H new ATOM 20 N ILE A 2 -0.765 15.587 4.295 1.00 1.76 N ATOM 21 CA ILE A 2 -0.781 14.551 5.363 1.00 1.92 C ATOM 22 C ILE A 2 0.027 15.080 6.549 1.00 1.97 C ATOM 23 O ILE A 2 1.189 14.770 6.714 1.00 2.58 O ATOM 24 CB ILE A 2 -0.155 13.261 4.835 1.00 1.73 C ATOM 25 CG1 ILE A 2 -0.622 13.001 3.402 1.00 1.53 C ATOM 26 CG2 ILE A 2 -0.587 12.090 5.713 1.00 2.17 C ATOM 27 CD1 ILE A 2 0.540 12.436 2.597 1.00 2.21 C ATOM 0 H ILE A 2 -0.132 15.399 3.518 1.00 1.76 H new ATOM 0 HA ILE A 2 -1.804 14.338 5.673 1.00 1.92 H new ATOM 0 HB ILE A 2 0.930 13.362 4.852 1.00 1.73 H new ATOM 0 HG12 ILE A 2 -1.457 12.301 3.399 1.00 1.53 H new ATOM 0 HG13 ILE A 2 -0.980 13.926 2.949 1.00 1.53 H new ATOM 0 HG21 ILE A 2 -0.141 11.169 5.337 1.00 2.17 H new ATOM 0 HG22 ILE A 2 -0.256 12.262 6.737 1.00 2.17 H new ATOM 0 HG23 ILE A 2 -1.673 12.001 5.693 1.00 2.17 H new ATOM 0 HD11 ILE A 2 0.216 12.247 1.574 1.00 2.21 H new ATOM 0 HD12 ILE A 2 1.361 13.153 2.591 1.00 2.21 H new ATOM 0 HD13 ILE A 2 0.876 11.503 3.049 1.00 2.21 H new ATOM 39 N LYS A 3 -0.581 15.906 7.351 1.00 1.51 N ATOM 40 CA LYS A 3 0.136 16.511 8.512 1.00 1.37 C ATOM 41 C LYS A 3 0.561 15.451 9.529 1.00 1.24 C ATOM 42 O LYS A 3 0.275 14.278 9.393 1.00 1.56 O ATOM 43 CB LYS A 3 -0.785 17.523 9.198 1.00 1.30 C ATOM 44 CG LYS A 3 -0.484 18.928 8.671 1.00 2.35 C ATOM 45 CD LYS A 3 -1.487 19.921 9.261 1.00 2.43 C ATOM 46 CE LYS A 3 -0.864 21.318 9.297 1.00 2.83 C ATOM 47 NZ LYS A 3 -1.850 22.288 9.853 1.00 2.65 N ATOM 0 H LYS A 3 -1.555 16.193 7.253 1.00 1.51 H new ATOM 0 HA LYS A 3 1.035 17.000 8.137 1.00 1.37 H new ATOM 0 HB2 LYS A 3 -1.828 17.268 9.009 1.00 1.30 H new ATOM 0 HB3 LYS A 3 -0.639 17.489 10.278 1.00 1.30 H new ATOM 0 HG2 LYS A 3 0.532 19.218 8.939 1.00 2.35 H new ATOM 0 HG3 LYS A 3 -0.542 18.940 7.583 1.00 2.35 H new ATOM 0 HD2 LYS A 3 -2.398 19.933 8.662 1.00 2.43 H new ATOM 0 HD3 LYS A 3 -1.771 19.612 10.267 1.00 2.43 H new ATOM 0 HE2 LYS A 3 0.038 21.310 9.908 1.00 2.83 H new ATOM 0 HE3 LYS A 3 -0.566 21.621 8.293 1.00 2.83 H new ATOM 0 HZ1 LYS A 3 -1.427 23.238 9.878 1.00 2.65 H new ATOM 0 HZ2 LYS A 3 -2.699 22.303 9.252 1.00 2.65 H new ATOM 0 HZ3 LYS A 3 -2.113 22.001 10.817 1.00 2.65 H new ATOM 61 N VAL A 4 1.247 15.881 10.556 1.00 1.62 N ATOM 62 CA VAL A 4 1.715 14.946 11.618 1.00 1.92 C ATOM 63 C VAL A 4 2.640 15.701 12.566 1.00 1.61 C ATOM 64 O VAL A 4 3.314 16.628 12.185 1.00 1.49 O ATOM 65 CB VAL A 4 2.471 13.770 10.988 1.00 2.37 C ATOM 66 CG1 VAL A 4 3.439 14.299 9.937 1.00 1.54 C ATOM 67 CG2 VAL A 4 3.257 12.994 12.055 1.00 3.97 C ATOM 0 H VAL A 4 1.506 16.856 10.704 1.00 1.62 H new ATOM 0 HA VAL A 4 0.857 14.557 12.166 1.00 1.92 H new ATOM 0 HB VAL A 4 1.748 13.097 10.528 1.00 2.37 H new ATOM 0 HG11 VAL A 4 3.978 13.466 9.487 1.00 1.54 H new ATOM 0 HG12 VAL A 4 2.883 14.831 9.165 1.00 1.54 H new ATOM 0 HG13 VAL A 4 4.149 14.980 10.406 1.00 1.54 H new ATOM 0 HG21 VAL A 4 3.786 12.164 11.586 1.00 3.97 H new ATOM 0 HG22 VAL A 4 3.977 13.659 12.532 1.00 3.97 H new ATOM 0 HG23 VAL A 4 2.567 12.607 12.805 1.00 3.97 H new ATOM 77 N GLU A 5 2.666 15.312 13.799 1.00 1.48 N ATOM 78 CA GLU A 5 3.542 16.007 14.785 1.00 1.19 C ATOM 79 C GLU A 5 4.480 15.003 15.439 1.00 1.10 C ATOM 80 O GLU A 5 4.065 14.133 16.174 1.00 1.48 O ATOM 81 CB GLU A 5 2.674 16.662 15.861 1.00 1.17 C ATOM 82 CG GLU A 5 2.256 18.058 15.400 1.00 2.01 C ATOM 83 CD GLU A 5 1.172 18.601 16.334 1.00 2.33 C ATOM 84 OE1 GLU A 5 0.490 17.797 16.948 1.00 3.84 O ATOM 85 OE2 GLU A 5 1.043 19.811 16.418 1.00 2.02 O ATOM 0 H GLU A 5 2.118 14.539 14.176 1.00 1.48 H new ATOM 0 HA GLU A 5 4.129 16.768 14.271 1.00 1.19 H new ATOM 0 HB2 GLU A 5 1.792 16.051 16.053 1.00 1.17 H new ATOM 0 HB3 GLU A 5 3.226 16.727 16.799 1.00 1.17 H new ATOM 0 HG2 GLU A 5 3.118 18.725 15.399 1.00 2.01 H new ATOM 0 HG3 GLU A 5 1.883 18.018 14.377 1.00 2.01 H new ATOM 92 N ILE A 6 5.750 15.122 15.195 1.00 0.87 N ATOM 93 CA ILE A 6 6.698 14.171 15.836 1.00 0.83 C ATOM 94 C ILE A 6 6.811 14.550 17.322 1.00 0.95 C ATOM 95 O ILE A 6 7.487 15.493 17.683 1.00 1.07 O ATOM 96 CB ILE A 6 8.067 14.221 15.114 1.00 0.91 C ATOM 97 CG1 ILE A 6 8.145 13.053 14.127 1.00 1.47 C ATOM 98 CG2 ILE A 6 9.219 14.096 16.109 1.00 0.68 C ATOM 99 CD1 ILE A 6 8.110 13.580 12.693 1.00 1.28 C ATOM 0 H ILE A 6 6.171 15.826 14.588 1.00 0.87 H new ATOM 0 HA ILE A 6 6.340 13.145 15.758 1.00 0.83 H new ATOM 0 HB ILE A 6 8.153 15.177 14.598 1.00 0.91 H new ATOM 0 HG12 ILE A 6 9.061 12.486 14.293 1.00 1.47 H new ATOM 0 HG13 ILE A 6 7.312 12.369 14.293 1.00 1.47 H new ATOM 0 HG21 ILE A 6 10.168 14.134 15.574 1.00 0.68 H new ATOM 0 HG22 ILE A 6 9.173 14.917 16.824 1.00 0.68 H new ATOM 0 HG23 ILE A 6 9.140 13.147 16.640 1.00 0.68 H new ATOM 0 HD11 ILE A 6 8.166 12.743 11.996 1.00 1.28 H new ATOM 0 HD12 ILE A 6 7.182 14.127 12.529 1.00 1.28 H new ATOM 0 HD13 ILE A 6 8.957 14.246 12.529 1.00 1.28 H new ATOM 111 N LYS A 7 6.133 13.825 18.182 1.00 1.07 N ATOM 112 CA LYS A 7 6.171 14.139 19.637 1.00 1.28 C ATOM 113 C LYS A 7 7.609 14.434 20.072 1.00 0.85 C ATOM 114 O LYS A 7 8.540 14.217 19.321 1.00 0.55 O ATOM 115 CB LYS A 7 5.629 12.933 20.409 1.00 1.63 C ATOM 116 CG LYS A 7 4.174 13.184 20.833 1.00 1.86 C ATOM 117 CD LYS A 7 3.392 13.872 19.709 1.00 2.36 C ATOM 118 CE LYS A 7 2.982 15.273 20.157 1.00 1.08 C ATOM 119 NZ LYS A 7 3.821 16.290 19.462 1.00 2.41 N ATOM 0 H LYS A 7 5.553 13.025 17.931 1.00 1.07 H new ATOM 0 HA LYS A 7 5.560 15.018 19.843 1.00 1.28 H new ATOM 0 HB2 LYS A 7 5.685 12.039 19.788 1.00 1.63 H new ATOM 0 HB3 LYS A 7 6.245 12.749 21.289 1.00 1.63 H new ATOM 0 HG2 LYS A 7 3.696 12.238 21.089 1.00 1.86 H new ATOM 0 HG3 LYS A 7 4.153 13.804 21.729 1.00 1.86 H new ATOM 0 HD2 LYS A 7 4.004 13.931 18.809 1.00 2.36 H new ATOM 0 HD3 LYS A 7 2.508 13.287 19.455 1.00 2.36 H new ATOM 0 HE2 LYS A 7 1.929 15.443 19.934 1.00 1.08 H new ATOM 0 HE3 LYS A 7 3.098 15.368 21.237 1.00 1.08 H new ATOM 0 HZ1 LYS A 7 3.226 17.094 19.177 1.00 2.41 H new ATOM 0 HZ2 LYS A 7 4.568 16.622 20.105 1.00 2.41 H new ATOM 0 HZ3 LYS A 7 4.255 15.864 18.619 1.00 2.41 H new ATOM 133 N PRO A 8 7.747 14.921 21.280 1.00 1.19 N ATOM 134 CA PRO A 8 9.062 15.259 21.851 1.00 0.71 C ATOM 135 C PRO A 8 9.801 13.981 22.235 1.00 0.33 C ATOM 136 O PRO A 8 11.014 13.937 22.279 1.00 0.27 O ATOM 137 CB PRO A 8 8.718 16.104 23.081 1.00 0.82 C ATOM 138 CG PRO A 8 7.262 15.746 23.462 1.00 2.71 C ATOM 139 CD PRO A 8 6.608 15.170 22.191 1.00 2.26 C ATOM 0 HA PRO A 8 9.716 15.792 21.161 1.00 0.71 H new ATOM 0 HB2 PRO A 8 9.399 15.888 23.904 1.00 0.82 H new ATOM 0 HB3 PRO A 8 8.812 17.167 22.861 1.00 0.82 H new ATOM 0 HG2 PRO A 8 7.241 15.018 24.273 1.00 2.71 H new ATOM 0 HG3 PRO A 8 6.724 16.628 23.810 1.00 2.71 H new ATOM 0 HD2 PRO A 8 6.061 14.252 22.405 1.00 2.26 H new ATOM 0 HD3 PRO A 8 5.896 15.871 21.756 1.00 2.26 H new ATOM 147 N SER A 9 9.072 12.937 22.492 1.00 0.55 N ATOM 148 CA SER A 9 9.716 11.646 22.852 1.00 0.81 C ATOM 149 C SER A 9 9.969 10.844 21.574 1.00 0.77 C ATOM 150 O SER A 9 10.496 9.750 21.608 1.00 1.14 O ATOM 151 CB SER A 9 8.793 10.855 23.780 1.00 1.14 C ATOM 152 OG SER A 9 9.316 10.884 25.101 1.00 3.45 O ATOM 0 H SER A 9 8.052 12.920 22.469 1.00 0.55 H new ATOM 0 HA SER A 9 10.661 11.834 23.362 1.00 0.81 H new ATOM 0 HB2 SER A 9 7.790 11.282 23.764 1.00 1.14 H new ATOM 0 HB3 SER A 9 8.706 9.825 23.434 1.00 1.14 H new ATOM 0 HG SER A 9 8.725 10.379 25.698 1.00 3.45 H new ATOM 158 N GLN A 10 9.599 11.384 20.443 1.00 0.44 N ATOM 159 CA GLN A 10 9.817 10.661 19.161 1.00 0.52 C ATOM 160 C GLN A 10 10.749 11.485 18.270 1.00 0.78 C ATOM 161 O GLN A 10 10.567 11.562 17.073 1.00 1.18 O ATOM 162 CB GLN A 10 8.482 10.468 18.445 1.00 0.55 C ATOM 163 CG GLN A 10 7.398 10.145 19.470 1.00 0.52 C ATOM 164 CD GLN A 10 7.528 8.687 19.914 1.00 3.06 C ATOM 165 OE1 GLN A 10 8.622 8.169 20.025 1.00 4.40 O ATOM 166 NE2 GLN A 10 6.451 7.997 20.174 1.00 4.63 N ATOM 0 H GLN A 10 9.154 12.298 20.354 1.00 0.44 H new ATOM 0 HA GLN A 10 10.263 9.688 19.366 1.00 0.52 H new ATOM 0 HB2 GLN A 10 8.219 11.371 17.894 1.00 0.55 H new ATOM 0 HB3 GLN A 10 8.561 9.661 17.717 1.00 0.55 H new ATOM 0 HG2 GLN A 10 7.489 10.807 20.331 1.00 0.52 H new ATOM 0 HG3 GLN A 10 6.412 10.317 19.038 1.00 0.52 H new ATOM 0 HE21 GLN A 10 5.533 8.431 20.081 1.00 4.63 H new ATOM 0 HE22 GLN A 10 6.528 7.024 20.470 1.00 4.63 H new ATOM 175 N ALA A 11 11.737 12.117 18.845 1.00 0.87 N ATOM 176 CA ALA A 11 12.664 12.947 18.022 1.00 1.29 C ATOM 177 C ALA A 11 13.987 12.211 17.806 1.00 1.40 C ATOM 178 O ALA A 11 14.948 12.777 17.323 1.00 1.56 O ATOM 179 CB ALA A 11 12.931 14.272 18.738 1.00 1.81 C ATOM 0 H ALA A 11 11.942 12.095 19.844 1.00 0.87 H new ATOM 0 HA ALA A 11 12.203 13.136 17.053 1.00 1.29 H new ATOM 0 HB1 ALA A 11 13.608 14.880 18.138 1.00 1.81 H new ATOM 0 HB2 ALA A 11 11.991 14.806 18.877 1.00 1.81 H new ATOM 0 HB3 ALA A 11 13.384 14.076 19.710 1.00 1.81 H new ATOM 185 N GLN A 12 14.051 10.959 18.155 1.00 1.47 N ATOM 186 CA GLN A 12 15.318 10.201 17.962 1.00 1.60 C ATOM 187 C GLN A 12 15.018 8.816 17.393 1.00 1.53 C ATOM 188 O GLN A 12 14.112 8.135 17.831 1.00 1.39 O ATOM 189 CB GLN A 12 16.032 10.055 19.302 1.00 1.78 C ATOM 190 CG GLN A 12 16.927 11.270 19.515 1.00 3.20 C ATOM 191 CD GLN A 12 17.658 11.144 20.853 1.00 3.35 C ATOM 192 OE1 GLN A 12 17.166 11.589 21.871 1.00 5.65 O ATOM 193 NE2 GLN A 12 18.820 10.552 20.896 1.00 2.55 N ATOM 0 H GLN A 12 13.283 10.427 18.565 1.00 1.47 H new ATOM 0 HA GLN A 12 15.955 10.744 17.263 1.00 1.60 H new ATOM 0 HB2 GLN A 12 15.305 9.975 20.110 1.00 1.78 H new ATOM 0 HB3 GLN A 12 16.626 9.141 19.316 1.00 1.78 H new ATOM 0 HG2 GLN A 12 17.648 11.349 18.702 1.00 3.20 H new ATOM 0 HG3 GLN A 12 16.329 12.181 19.501 1.00 3.20 H new ATOM 0 HE21 GLN A 12 19.234 10.178 20.042 1.00 2.55 H new ATOM 0 HE22 GLN A 12 19.315 10.463 21.784 1.00 2.55 H new ATOM 202 N PHE A 13 15.775 8.394 16.419 1.00 1.74 N ATOM 203 CA PHE A 13 15.542 7.059 15.821 1.00 1.74 C ATOM 204 C PHE A 13 16.288 6.002 16.629 1.00 2.04 C ATOM 205 O PHE A 13 17.090 6.312 17.488 1.00 2.26 O ATOM 206 CB PHE A 13 16.079 7.060 14.396 1.00 1.74 C ATOM 207 CG PHE A 13 17.505 7.559 14.426 1.00 2.06 C ATOM 208 CD1 PHE A 13 18.544 6.686 14.762 1.00 2.36 C ATOM 209 CD2 PHE A 13 17.786 8.899 14.129 1.00 2.18 C ATOM 210 CE1 PHE A 13 19.863 7.149 14.799 1.00 2.77 C ATOM 211 CE2 PHE A 13 19.104 9.362 14.165 1.00 2.68 C ATOM 212 CZ PHE A 13 20.142 8.487 14.499 1.00 2.95 C ATOM 0 H PHE A 13 16.547 8.922 16.013 1.00 1.74 H new ATOM 0 HA PHE A 13 14.475 6.836 15.823 1.00 1.74 H new ATOM 0 HB2 PHE A 13 16.037 6.056 13.974 1.00 1.74 H new ATOM 0 HB3 PHE A 13 15.467 7.699 13.760 1.00 1.74 H new ATOM 0 HD1 PHE A 13 18.328 5.653 14.993 1.00 2.36 H new ATOM 0 HD2 PHE A 13 16.984 9.575 13.872 1.00 2.18 H new ATOM 0 HE1 PHE A 13 20.666 6.475 15.059 1.00 2.77 H new ATOM 0 HE2 PHE A 13 19.321 10.395 13.935 1.00 2.68 H new ATOM 0 HZ PHE A 13 21.161 8.844 14.526 1.00 2.95 H new ATOM 222 N THR A 14 16.044 4.756 16.348 1.00 2.19 N ATOM 223 CA THR A 14 16.751 3.678 17.085 1.00 2.49 C ATOM 224 C THR A 14 17.193 2.606 16.092 1.00 2.35 C ATOM 225 O THR A 14 16.574 2.404 15.067 1.00 1.81 O ATOM 226 CB THR A 14 15.815 3.058 18.124 1.00 2.71 C ATOM 227 OG1 THR A 14 15.430 4.050 19.066 1.00 4.44 O ATOM 228 CG2 THR A 14 16.536 1.919 18.843 1.00 3.27 C ATOM 0 H THR A 14 15.384 4.437 15.638 1.00 2.19 H new ATOM 0 HA THR A 14 17.621 4.094 17.594 1.00 2.49 H new ATOM 0 HB THR A 14 14.927 2.667 17.628 1.00 2.71 H new ATOM 0 HG1 THR A 14 14.829 3.654 19.731 1.00 4.44 H new ATOM 0 HG21 THR A 14 15.870 1.477 19.584 1.00 3.27 H new ATOM 0 HG22 THR A 14 16.829 1.159 18.119 1.00 3.27 H new ATOM 0 HG23 THR A 14 17.425 2.308 19.341 1.00 3.27 H new ATOM 236 N THR A 15 18.259 1.918 16.384 1.00 2.80 N ATOM 237 CA THR A 15 18.737 0.861 15.452 1.00 2.61 C ATOM 238 C THR A 15 18.030 -0.455 15.771 1.00 2.48 C ATOM 239 O THR A 15 18.236 -1.045 16.813 1.00 2.56 O ATOM 240 CB THR A 15 20.247 0.682 15.613 1.00 2.55 C ATOM 241 OG1 THR A 15 20.805 1.860 16.178 1.00 2.89 O ATOM 242 CG2 THR A 15 20.876 0.420 14.244 1.00 2.75 C ATOM 0 H THR A 15 18.820 2.041 17.227 1.00 2.80 H new ATOM 0 HA THR A 15 18.515 1.154 14.426 1.00 2.61 H new ATOM 0 HB THR A 15 20.447 -0.164 16.271 1.00 2.55 H new ATOM 0 HG1 THR A 15 21.773 1.746 16.283 1.00 2.89 H new ATOM 0 HG21 THR A 15 21.953 0.292 14.357 1.00 2.75 H new ATOM 0 HG22 THR A 15 20.446 -0.484 13.813 1.00 2.75 H new ATOM 0 HG23 THR A 15 20.678 1.265 13.585 1.00 2.75 H new ATOM 250 N ARG A 16 17.198 -0.920 14.883 1.00 2.37 N ATOM 251 CA ARG A 16 16.478 -2.199 15.135 1.00 2.41 C ATOM 252 C ARG A 16 16.643 -3.121 13.927 1.00 1.80 C ATOM 253 O ARG A 16 16.736 -2.675 12.801 1.00 1.52 O ATOM 254 CB ARG A 16 14.992 -1.912 15.358 1.00 3.16 C ATOM 255 CG ARG A 16 14.728 -1.701 16.850 1.00 5.40 C ATOM 256 CD ARG A 16 14.384 -3.041 17.503 1.00 5.83 C ATOM 257 NE ARG A 16 13.208 -2.868 18.401 1.00 7.39 N ATOM 258 CZ ARG A 16 12.554 -3.912 18.834 1.00 7.72 C ATOM 259 NH1 ARG A 16 12.929 -5.113 18.481 1.00 6.78 N ATOM 260 NH2 ARG A 16 11.525 -3.756 19.620 1.00 9.22 N ATOM 0 H ARG A 16 16.985 -0.470 13.993 1.00 2.37 H new ATOM 0 HA ARG A 16 16.892 -2.681 16.021 1.00 2.41 H new ATOM 0 HB2 ARG A 16 14.694 -1.026 14.797 1.00 3.16 H new ATOM 0 HB3 ARG A 16 14.391 -2.742 14.986 1.00 3.16 H new ATOM 0 HG2 ARG A 16 15.606 -1.267 17.328 1.00 5.40 H new ATOM 0 HG3 ARG A 16 13.908 -0.996 16.989 1.00 5.40 H new ATOM 0 HD2 ARG A 16 14.164 -3.785 16.737 1.00 5.83 H new ATOM 0 HD3 ARG A 16 15.238 -3.411 18.071 1.00 5.83 H new ATOM 0 HE ARG A 16 12.913 -1.932 18.678 1.00 7.39 H new ATOM 0 HH11 ARG A 16 13.734 -5.236 17.866 1.00 6.78 H new ATOM 0 HH12 ARG A 16 12.417 -5.927 18.820 1.00 6.78 H new ATOM 0 HH21 ARG A 16 11.232 -2.819 19.896 1.00 9.22 H new ATOM 0 HH22 ARG A 16 11.014 -4.571 19.959 1.00 9.22 H new ATOM 274 N SER A 17 16.681 -4.405 14.151 1.00 1.68 N ATOM 275 CA SER A 17 16.841 -5.353 13.013 1.00 1.66 C ATOM 276 C SER A 17 15.754 -5.085 11.971 1.00 3.14 C ATOM 277 O SER A 17 14.598 -5.401 12.168 1.00 3.53 O ATOM 278 CB SER A 17 16.718 -6.792 13.519 1.00 2.78 C ATOM 279 OG SER A 17 17.921 -7.494 13.237 1.00 3.09 O ATOM 0 H SER A 17 16.608 -4.839 15.071 1.00 1.68 H new ATOM 0 HA SER A 17 17.823 -5.212 12.561 1.00 1.66 H new ATOM 0 HB2 SER A 17 16.523 -6.797 14.591 1.00 2.78 H new ATOM 0 HB3 SER A 17 15.874 -7.287 13.040 1.00 2.78 H new ATOM 0 HG SER A 17 17.846 -8.416 13.562 1.00 3.09 H new ATOM 285 N GLY A 18 16.122 -4.506 10.864 1.00 4.25 N ATOM 286 CA GLY A 18 15.123 -4.213 9.801 1.00 6.14 C ATOM 287 C GLY A 18 15.291 -5.211 8.657 1.00 5.91 C ATOM 288 O GLY A 18 16.290 -5.895 8.562 1.00 4.57 O ATOM 0 H GLY A 18 17.078 -4.221 10.649 1.00 4.25 H new ATOM 0 HA2 GLY A 18 14.114 -4.276 10.208 1.00 6.14 H new ATOM 0 HA3 GLY A 18 15.255 -3.196 9.433 1.00 6.14 H new ATOM 292 N VAL A 19 14.329 -5.297 7.782 1.00 7.34 N ATOM 293 CA VAL A 19 14.448 -6.245 6.640 1.00 7.28 C ATOM 294 C VAL A 19 13.992 -5.543 5.364 1.00 7.75 C ATOM 295 O VAL A 19 12.845 -5.168 5.223 1.00 8.70 O ATOM 296 CB VAL A 19 13.579 -7.479 6.887 1.00 8.58 C ATOM 297 CG1 VAL A 19 14.225 -8.697 6.224 1.00 8.10 C ATOM 298 CG2 VAL A 19 13.451 -7.726 8.394 1.00 9.27 C ATOM 0 H VAL A 19 13.467 -4.753 7.808 1.00 7.34 H new ATOM 0 HA VAL A 19 15.486 -6.563 6.539 1.00 7.28 H new ATOM 0 HB VAL A 19 12.589 -7.315 6.463 1.00 8.58 H new ATOM 0 HG11 VAL A 19 13.607 -9.577 6.399 1.00 8.10 H new ATOM 0 HG12 VAL A 19 14.313 -8.523 5.152 1.00 8.10 H new ATOM 0 HG13 VAL A 19 15.216 -8.859 6.648 1.00 8.10 H new ATOM 0 HG21 VAL A 19 12.831 -8.606 8.567 1.00 9.27 H new ATOM 0 HG22 VAL A 19 14.440 -7.889 8.821 1.00 9.27 H new ATOM 0 HG23 VAL A 19 12.990 -6.859 8.867 1.00 9.27 H new ATOM 308 N SER A 20 14.889 -5.349 4.439 1.00 7.05 N ATOM 309 CA SER A 20 14.520 -4.656 3.175 1.00 7.65 C ATOM 310 C SER A 20 13.219 -5.247 2.628 1.00 9.03 C ATOM 311 O SER A 20 12.156 -4.679 2.781 1.00 11.29 O ATOM 312 CB SER A 20 15.639 -4.839 2.149 1.00 6.35 C ATOM 313 OG SER A 20 16.482 -3.694 2.166 1.00 7.90 O ATOM 0 H SER A 20 15.864 -5.641 4.504 1.00 7.05 H new ATOM 0 HA SER A 20 14.378 -3.593 3.371 1.00 7.65 H new ATOM 0 HB2 SER A 20 16.217 -5.734 2.379 1.00 6.35 H new ATOM 0 HB3 SER A 20 15.217 -4.980 1.154 1.00 6.35 H new ATOM 0 HG SER A 20 16.666 -3.437 3.094 1.00 7.90 H new ATOM 319 N ARG A 21 13.294 -6.385 1.994 1.00 7.66 N ATOM 320 CA ARG A 21 12.061 -7.013 1.439 1.00 8.73 C ATOM 321 C ARG A 21 12.204 -8.536 1.469 1.00 8.88 C ATOM 322 O ARG A 21 12.032 -9.204 0.469 1.00 9.51 O ATOM 323 CB ARG A 21 11.857 -6.553 -0.003 1.00 8.39 C ATOM 324 CG ARG A 21 11.496 -5.067 -0.020 1.00 9.20 C ATOM 325 CD ARG A 21 11.541 -4.548 -1.461 1.00 8.17 C ATOM 326 NE ARG A 21 10.576 -5.322 -2.295 1.00 7.24 N ATOM 327 CZ ARG A 21 10.241 -4.893 -3.482 1.00 6.78 C ATOM 328 NH1 ARG A 21 10.753 -3.786 -3.949 1.00 7.06 N ATOM 329 NH2 ARG A 21 9.391 -5.572 -4.203 1.00 6.11 N ATOM 0 H ARG A 21 14.156 -6.907 1.836 1.00 7.66 H new ATOM 0 HA ARG A 21 11.203 -6.715 2.041 1.00 8.73 H new ATOM 0 HB2 ARG A 21 12.765 -6.724 -0.582 1.00 8.39 H new ATOM 0 HB3 ARG A 21 11.065 -7.136 -0.473 1.00 8.39 H new ATOM 0 HG2 ARG A 21 10.501 -4.918 0.401 1.00 9.20 H new ATOM 0 HG3 ARG A 21 12.193 -4.505 0.602 1.00 9.20 H new ATOM 0 HD2 ARG A 21 11.291 -3.487 -1.485 1.00 8.17 H new ATOM 0 HD3 ARG A 21 12.549 -4.647 -1.864 1.00 8.17 H new ATOM 0 HE ARG A 21 10.176 -6.189 -1.937 1.00 7.24 H new ATOM 0 HH11 ARG A 21 11.417 -3.254 -3.386 1.00 7.06 H new ATOM 0 HH12 ARG A 21 10.489 -3.454 -4.877 1.00 7.06 H new ATOM 0 HH21 ARG A 21 8.990 -6.436 -3.839 1.00 6.11 H new ATOM 0 HH22 ARG A 21 9.128 -5.238 -5.130 1.00 6.11 H new ATOM 343 N GLN A 22 12.518 -9.090 2.607 1.00 8.75 N ATOM 344 CA GLN A 22 12.673 -10.569 2.697 1.00 9.38 C ATOM 345 C GLN A 22 13.978 -10.985 2.013 1.00 8.69 C ATOM 346 O GLN A 22 14.150 -12.123 1.623 1.00 9.30 O ATOM 347 CB GLN A 22 11.492 -11.250 2.001 1.00 10.55 C ATOM 348 CG GLN A 22 10.196 -10.511 2.345 1.00 11.18 C ATOM 349 CD GLN A 22 9.028 -11.501 2.351 1.00 12.16 C ATOM 350 OE1 GLN A 22 8.419 -11.733 3.377 1.00 12.21 O ATOM 351 NE2 GLN A 22 8.687 -12.097 1.241 1.00 13.35 N ATOM 0 H GLN A 22 12.674 -8.583 3.478 1.00 8.75 H new ATOM 0 HA GLN A 22 12.698 -10.870 3.744 1.00 9.38 H new ATOM 0 HB2 GLN A 22 11.645 -11.253 0.922 1.00 10.55 H new ATOM 0 HB3 GLN A 22 11.423 -12.291 2.316 1.00 10.55 H new ATOM 0 HG2 GLN A 22 10.286 -10.033 3.320 1.00 11.18 H new ATOM 0 HG3 GLN A 22 10.012 -9.720 1.618 1.00 11.18 H new ATOM 0 HE21 GLN A 22 9.198 -11.902 0.380 1.00 13.35 H new ATOM 0 HE22 GLN A 22 7.910 -12.757 1.235 1.00 13.35 H new ATOM 360 N GLY A 23 14.899 -10.073 1.863 1.00 7.90 N ATOM 361 CA GLY A 23 16.190 -10.418 1.206 1.00 7.73 C ATOM 362 C GLY A 23 17.295 -10.496 2.261 1.00 6.35 C ATOM 363 O GLY A 23 18.024 -11.466 2.339 1.00 6.41 O ATOM 0 H GLY A 23 14.813 -9.103 2.167 1.00 7.90 H new ATOM 0 HA2 GLY A 23 16.102 -11.372 0.685 1.00 7.73 H new ATOM 0 HA3 GLY A 23 16.441 -9.667 0.456 1.00 7.73 H new ATOM 367 N LYS A 24 17.426 -9.483 3.073 1.00 5.46 N ATOM 368 CA LYS A 24 18.487 -9.504 4.121 1.00 4.53 C ATOM 369 C LYS A 24 18.075 -8.593 5.283 1.00 4.37 C ATOM 370 O LYS A 24 17.384 -7.614 5.084 1.00 4.30 O ATOM 371 CB LYS A 24 19.811 -8.999 3.533 1.00 3.21 C ATOM 372 CG LYS A 24 19.851 -9.257 2.023 1.00 3.76 C ATOM 373 CD LYS A 24 21.019 -8.483 1.407 1.00 4.45 C ATOM 374 CE LYS A 24 21.616 -9.286 0.249 1.00 4.36 C ATOM 375 NZ LYS A 24 23.103 -9.199 0.300 1.00 4.66 N ATOM 0 H LYS A 24 16.846 -8.644 3.057 1.00 5.46 H new ATOM 0 HA LYS A 24 18.615 -10.526 4.478 1.00 4.53 H new ATOM 0 HB2 LYS A 24 19.922 -7.933 3.730 1.00 3.21 H new ATOM 0 HB3 LYS A 24 20.648 -9.502 4.018 1.00 3.21 H new ATOM 0 HG2 LYS A 24 19.964 -10.323 1.828 1.00 3.76 H new ATOM 0 HG3 LYS A 24 18.912 -8.946 1.565 1.00 3.76 H new ATOM 0 HD2 LYS A 24 20.676 -7.512 1.050 1.00 4.45 H new ATOM 0 HD3 LYS A 24 21.782 -8.294 2.163 1.00 4.45 H new ATOM 0 HE2 LYS A 24 21.299 -10.327 0.313 1.00 4.36 H new ATOM 0 HE3 LYS A 24 21.251 -8.899 -0.702 1.00 4.36 H new ATOM 0 HZ1 LYS A 24 23.510 -9.744 -0.487 1.00 4.66 H new ATOM 0 HZ2 LYS A 24 23.396 -8.204 0.219 1.00 4.66 H new ATOM 0 HZ3 LYS A 24 23.443 -9.588 1.203 1.00 4.66 H new ATOM 389 N PRO A 25 18.520 -8.943 6.463 1.00 4.52 N ATOM 390 CA PRO A 25 18.225 -8.175 7.684 1.00 4.26 C ATOM 391 C PRO A 25 19.122 -6.936 7.760 1.00 2.86 C ATOM 392 O PRO A 25 20.328 -7.039 7.863 1.00 3.01 O ATOM 393 CB PRO A 25 18.546 -9.151 8.814 1.00 5.27 C ATOM 394 CG PRO A 25 19.520 -10.190 8.222 1.00 5.38 C ATOM 395 CD PRO A 25 19.358 -10.135 6.692 1.00 5.26 C ATOM 0 HA PRO A 25 17.198 -7.812 7.725 1.00 4.26 H new ATOM 0 HB2 PRO A 25 18.997 -8.632 9.660 1.00 5.27 H new ATOM 0 HB3 PRO A 25 17.640 -9.632 9.182 1.00 5.27 H new ATOM 0 HG2 PRO A 25 20.547 -9.964 8.510 1.00 5.38 H new ATOM 0 HG3 PRO A 25 19.295 -11.188 8.598 1.00 5.38 H new ATOM 0 HD2 PRO A 25 20.322 -10.047 6.192 1.00 5.26 H new ATOM 0 HD3 PRO A 25 18.881 -11.037 6.309 1.00 5.26 H new ATOM 403 N TYR A 26 18.546 -5.766 7.708 1.00 2.34 N ATOM 404 CA TYR A 26 19.372 -4.531 7.774 1.00 1.44 C ATOM 405 C TYR A 26 19.114 -3.810 9.098 1.00 1.46 C ATOM 406 O TYR A 26 18.003 -3.752 9.579 1.00 2.35 O ATOM 407 CB TYR A 26 19.020 -3.612 6.594 1.00 2.22 C ATOM 408 CG TYR A 26 17.604 -3.084 6.725 1.00 3.40 C ATOM 409 CD1 TYR A 26 17.292 -2.164 7.730 1.00 5.72 C ATOM 410 CD2 TYR A 26 16.617 -3.497 5.824 1.00 3.18 C ATOM 411 CE1 TYR A 26 15.991 -1.657 7.838 1.00 6.82 C ATOM 412 CE2 TYR A 26 15.314 -2.992 5.932 1.00 4.50 C ATOM 413 CZ TYR A 26 15.002 -2.071 6.939 1.00 5.95 C ATOM 414 OH TYR A 26 13.720 -1.573 7.045 1.00 7.28 O ATOM 0 H TYR A 26 17.541 -5.614 7.623 1.00 2.34 H new ATOM 0 HA TYR A 26 20.428 -4.796 7.715 1.00 1.44 H new ATOM 0 HB2 TYR A 26 19.721 -2.779 6.555 1.00 2.22 H new ATOM 0 HB3 TYR A 26 19.123 -4.160 5.657 1.00 2.22 H new ATOM 0 HD1 TYR A 26 18.055 -1.844 8.424 1.00 5.72 H new ATOM 0 HD2 TYR A 26 16.859 -4.205 5.045 1.00 3.18 H new ATOM 0 HE1 TYR A 26 15.751 -0.946 8.615 1.00 6.82 H new ATOM 0 HE2 TYR A 26 14.551 -3.313 5.239 1.00 4.50 H new ATOM 0 HH TYR A 26 13.159 -1.963 6.343 1.00 7.28 H new ATOM 424 N SER A 27 20.137 -3.261 9.693 1.00 1.81 N ATOM 425 CA SER A 27 19.949 -2.541 10.984 1.00 2.02 C ATOM 426 C SER A 27 19.845 -1.042 10.701 1.00 2.72 C ATOM 427 O SER A 27 20.796 -0.303 10.863 1.00 4.06 O ATOM 428 CB SER A 27 21.146 -2.805 11.897 1.00 2.44 C ATOM 429 OG SER A 27 21.648 -4.112 11.648 1.00 1.96 O ATOM 0 H SER A 27 21.094 -3.280 9.341 1.00 1.81 H new ATOM 0 HA SER A 27 19.041 -2.891 11.474 1.00 2.02 H new ATOM 0 HB2 SER A 27 21.925 -2.064 11.718 1.00 2.44 H new ATOM 0 HB3 SER A 27 20.849 -2.710 12.942 1.00 2.44 H new ATOM 0 HG SER A 27 22.417 -4.284 12.231 1.00 1.96 H new ATOM 435 N LEU A 28 18.702 -0.588 10.265 1.00 2.30 N ATOM 436 CA LEU A 28 18.547 0.860 9.955 1.00 3.35 C ATOM 437 C LEU A 28 18.017 1.610 11.177 1.00 2.91 C ATOM 438 O LEU A 28 17.613 1.021 12.160 1.00 2.65 O ATOM 439 CB LEU A 28 17.568 1.027 8.794 1.00 4.15 C ATOM 440 CG LEU A 28 18.072 2.122 7.853 1.00 5.99 C ATOM 441 CD1 LEU A 28 18.310 1.531 6.462 1.00 5.37 C ATOM 442 CD2 LEU A 28 17.028 3.237 7.764 1.00 7.71 C ATOM 0 H LEU A 28 17.870 -1.157 10.110 1.00 2.30 H new ATOM 0 HA LEU A 28 19.519 1.270 9.682 1.00 3.35 H new ATOM 0 HB2 LEU A 28 17.466 0.086 8.253 1.00 4.15 H new ATOM 0 HB3 LEU A 28 16.579 1.285 9.173 1.00 4.15 H new ATOM 0 HG LEU A 28 19.007 2.530 8.237 1.00 5.99 H new ATOM 0 HD11 LEU A 28 18.669 2.312 5.792 1.00 5.37 H new ATOM 0 HD12 LEU A 28 19.054 0.737 6.526 1.00 5.37 H new ATOM 0 HD13 LEU A 28 17.376 1.122 6.076 1.00 5.37 H new ATOM 0 HD21 LEU A 28 17.386 4.018 7.093 1.00 7.71 H new ATOM 0 HD22 LEU A 28 16.093 2.830 7.380 1.00 7.71 H new ATOM 0 HD23 LEU A 28 16.860 3.658 8.755 1.00 7.71 H new ATOM 454 N ASN A 29 18.010 2.913 11.109 1.00 2.80 N ATOM 455 CA ASN A 29 17.500 3.727 12.250 1.00 2.55 C ATOM 456 C ASN A 29 16.016 4.020 12.017 1.00 2.33 C ATOM 457 O ASN A 29 15.642 4.585 11.013 1.00 2.56 O ATOM 458 CB ASN A 29 18.277 5.055 12.372 1.00 2.59 C ATOM 459 CG ASN A 29 19.154 5.316 11.137 1.00 2.63 C ATOM 460 OD1 ASN A 29 19.748 4.410 10.587 1.00 1.30 O ATOM 461 ND2 ASN A 29 19.283 6.536 10.690 1.00 4.90 N ATOM 0 H ASN A 29 18.337 3.452 10.308 1.00 2.80 H new ATOM 0 HA ASN A 29 17.637 3.168 13.176 1.00 2.55 H new ATOM 0 HB2 ASN A 29 17.574 5.878 12.499 1.00 2.59 H new ATOM 0 HB3 ASN A 29 18.903 5.030 13.264 1.00 2.59 H new ATOM 0 HD21 ASN A 29 19.879 6.723 9.884 1.00 4.90 H new ATOM 0 HD22 ASN A 29 18.787 7.302 11.147 1.00 4.90 H new ATOM 468 N GLU A 30 15.164 3.629 12.928 1.00 1.95 N ATOM 469 CA GLU A 30 13.702 3.881 12.741 1.00 1.79 C ATOM 470 C GLU A 30 13.228 4.945 13.737 1.00 1.54 C ATOM 471 O GLU A 30 13.825 5.145 14.775 1.00 1.74 O ATOM 472 CB GLU A 30 12.929 2.581 12.979 1.00 1.85 C ATOM 473 CG GLU A 30 12.903 1.757 11.690 1.00 1.85 C ATOM 474 CD GLU A 30 13.084 0.275 12.027 1.00 2.55 C ATOM 475 OE1 GLU A 30 14.199 -0.110 12.336 1.00 3.29 O ATOM 476 OE2 GLU A 30 12.104 -0.450 11.969 1.00 2.49 O ATOM 0 H GLU A 30 15.415 3.147 13.791 1.00 1.95 H new ATOM 0 HA GLU A 30 13.523 4.234 11.725 1.00 1.79 H new ATOM 0 HB2 GLU A 30 13.398 2.008 13.779 1.00 1.85 H new ATOM 0 HB3 GLU A 30 11.912 2.804 13.301 1.00 1.85 H new ATOM 0 HG2 GLU A 30 11.959 1.909 11.168 1.00 1.85 H new ATOM 0 HG3 GLU A 30 13.696 2.088 11.019 1.00 1.85 H new ATOM 483 N GLN A 31 12.155 5.628 13.429 1.00 1.16 N ATOM 484 CA GLN A 31 11.644 6.678 14.360 1.00 1.04 C ATOM 485 C GLN A 31 10.119 6.588 14.455 1.00 1.01 C ATOM 486 O GLN A 31 9.510 5.645 13.990 1.00 1.40 O ATOM 487 CB GLN A 31 12.034 8.065 13.837 1.00 0.78 C ATOM 488 CG GLN A 31 12.514 8.938 14.999 1.00 1.51 C ATOM 489 CD GLN A 31 11.526 10.088 15.206 1.00 1.20 C ATOM 490 OE1 GLN A 31 10.367 9.862 15.491 1.00 3.28 O ATOM 491 NE2 GLN A 31 11.937 11.320 15.072 1.00 0.35 N ATOM 0 H GLN A 31 11.612 5.504 12.575 1.00 1.16 H new ATOM 0 HA GLN A 31 12.081 6.522 15.346 1.00 1.04 H new ATOM 0 HB2 GLN A 31 12.821 7.974 13.089 1.00 0.78 H new ATOM 0 HB3 GLN A 31 11.180 8.533 13.347 1.00 0.78 H new ATOM 0 HG2 GLN A 31 12.593 8.342 15.908 1.00 1.51 H new ATOM 0 HG3 GLN A 31 13.509 9.331 14.788 1.00 1.51 H new ATOM 0 HE21 GLN A 31 12.910 11.510 14.833 1.00 0.35 H new ATOM 0 HE22 GLN A 31 11.285 12.093 15.207 1.00 0.35 H new ATOM 500 N LEU A 32 9.501 7.568 15.057 1.00 1.21 N ATOM 501 CA LEU A 32 8.017 7.553 15.189 1.00 0.99 C ATOM 502 C LEU A 32 7.461 8.937 14.830 1.00 0.82 C ATOM 503 O LEU A 32 8.204 9.872 14.605 1.00 1.01 O ATOM 504 CB LEU A 32 7.644 7.200 16.632 1.00 1.16 C ATOM 505 CG LEU A 32 8.092 5.769 16.939 1.00 1.34 C ATOM 506 CD1 LEU A 32 8.950 5.762 18.207 1.00 2.59 C ATOM 507 CD2 LEU A 32 6.860 4.885 17.150 1.00 1.35 C ATOM 0 H LEU A 32 9.963 8.381 15.464 1.00 1.21 H new ATOM 0 HA LEU A 32 7.592 6.810 14.514 1.00 0.99 H new ATOM 0 HB2 LEU A 32 8.119 7.897 17.323 1.00 1.16 H new ATOM 0 HB3 LEU A 32 6.567 7.294 16.774 1.00 1.16 H new ATOM 0 HG LEU A 32 8.678 5.384 16.104 1.00 1.34 H new ATOM 0 HD11 LEU A 32 9.269 4.743 18.425 1.00 2.59 H new ATOM 0 HD12 LEU A 32 9.827 6.392 18.057 1.00 2.59 H new ATOM 0 HD13 LEU A 32 8.366 6.146 19.043 1.00 2.59 H new ATOM 0 HD21 LEU A 32 7.177 3.865 17.369 1.00 1.35 H new ATOM 0 HD22 LEU A 32 6.275 5.270 17.985 1.00 1.35 H new ATOM 0 HD23 LEU A 32 6.250 4.889 16.247 1.00 1.35 H new ATOM 519 N CYS A 33 6.162 9.077 14.771 1.00 0.58 N ATOM 520 CA CYS A 33 5.563 10.397 14.424 1.00 0.53 C ATOM 521 C CYS A 33 4.066 10.335 14.714 1.00 0.47 C ATOM 522 O CYS A 33 3.513 9.273 14.902 1.00 0.63 O ATOM 523 CB CYS A 33 5.769 10.725 12.935 1.00 0.49 C ATOM 524 SG CYS A 33 6.471 9.308 12.046 1.00 1.83 S ATOM 0 H CYS A 33 5.490 8.331 14.949 1.00 0.58 H new ATOM 0 HA CYS A 33 6.047 11.173 15.017 1.00 0.53 H new ATOM 0 HB2 CYS A 33 4.816 11.004 12.486 1.00 0.49 H new ATOM 0 HB3 CYS A 33 6.432 11.585 12.837 1.00 0.49 H new ATOM 0 HG CYS A 33 5.981 8.206 12.531 1.00 1.83 H new ATOM 530 N TYR A 34 3.400 11.455 14.749 1.00 0.32 N ATOM 531 CA TYR A 34 1.938 11.432 15.029 1.00 0.63 C ATOM 532 C TYR A 34 1.185 12.030 13.847 1.00 0.70 C ATOM 533 O TYR A 34 1.049 13.230 13.733 1.00 1.18 O ATOM 534 CB TYR A 34 1.643 12.265 16.266 1.00 0.78 C ATOM 535 CG TYR A 34 1.795 11.428 17.512 1.00 0.96 C ATOM 536 CD1 TYR A 34 0.733 10.627 17.954 1.00 2.10 C ATOM 537 CD2 TYR A 34 2.987 11.475 18.240 1.00 3.07 C ATOM 538 CE1 TYR A 34 0.866 9.876 19.122 1.00 1.97 C ATOM 539 CE2 TYR A 34 3.117 10.726 19.411 1.00 3.34 C ATOM 540 CZ TYR A 34 2.056 9.930 19.851 1.00 1.45 C ATOM 541 OH TYR A 34 2.186 9.189 21.009 1.00 1.73 O ATOM 0 H TYR A 34 3.802 12.380 14.597 1.00 0.32 H new ATOM 0 HA TYR A 34 1.621 10.402 15.191 1.00 0.63 H new ATOM 0 HB2 TYR A 34 2.321 13.118 16.308 1.00 0.78 H new ATOM 0 HB3 TYR A 34 0.631 12.665 16.210 1.00 0.78 H new ATOM 0 HD1 TYR A 34 -0.188 10.591 17.391 1.00 2.10 H new ATOM 0 HD2 TYR A 34 3.806 12.090 17.897 1.00 3.07 H new ATOM 0 HE1 TYR A 34 0.051 9.254 19.462 1.00 1.97 H new ATOM 0 HE2 TYR A 34 4.037 10.762 19.976 1.00 3.34 H new ATOM 0 HH TYR A 34 3.075 9.338 21.395 1.00 1.73 H new ATOM 551 N VAL A 35 0.696 11.211 12.967 1.00 0.86 N ATOM 552 CA VAL A 35 -0.036 11.751 11.790 1.00 0.80 C ATOM 553 C VAL A 35 -1.542 11.762 12.052 1.00 1.23 C ATOM 554 O VAL A 35 -2.169 10.727 12.155 1.00 1.53 O ATOM 555 CB VAL A 35 0.256 10.883 10.565 1.00 0.67 C ATOM 556 CG1 VAL A 35 -0.100 11.661 9.295 1.00 0.72 C ATOM 557 CG2 VAL A 35 1.743 10.519 10.541 1.00 0.84 C ATOM 0 H VAL A 35 0.769 10.194 13.008 1.00 0.86 H new ATOM 0 HA VAL A 35 0.298 12.773 11.611 1.00 0.80 H new ATOM 0 HB VAL A 35 -0.340 9.972 10.613 1.00 0.67 H new ATOM 0 HG11 VAL A 35 0.107 11.044 8.420 1.00 0.72 H new ATOM 0 HG12 VAL A 35 -1.158 11.922 9.313 1.00 0.72 H new ATOM 0 HG13 VAL A 35 0.497 12.572 9.247 1.00 0.72 H new ATOM 0 HG21 VAL A 35 1.952 9.900 9.668 1.00 0.84 H new ATOM 0 HG22 VAL A 35 2.340 11.430 10.492 1.00 0.84 H new ATOM 0 HG23 VAL A 35 1.997 9.967 11.446 1.00 0.84 H new ATOM 567 N ASP A 36 -2.137 12.926 12.136 1.00 1.55 N ATOM 568 CA ASP A 36 -3.598 12.985 12.347 1.00 1.95 C ATOM 569 C ASP A 36 -4.253 12.332 11.129 1.00 2.05 C ATOM 570 O ASP A 36 -5.254 11.651 11.229 1.00 3.89 O ATOM 571 CB ASP A 36 -4.046 14.445 12.463 1.00 2.16 C ATOM 572 CG ASP A 36 -3.614 15.010 13.817 1.00 2.93 C ATOM 573 OD1 ASP A 36 -2.419 15.141 14.028 1.00 3.99 O ATOM 574 OD2 ASP A 36 -4.484 15.303 14.620 1.00 3.88 O ATOM 0 H ASP A 36 -1.668 13.829 12.067 1.00 1.55 H new ATOM 0 HA ASP A 36 -3.883 12.469 13.264 1.00 1.95 H new ATOM 0 HB2 ASP A 36 -3.610 15.034 11.656 1.00 2.16 H new ATOM 0 HB3 ASP A 36 -5.129 14.513 12.358 1.00 2.16 H new ATOM 579 N LEU A 37 -3.660 12.523 9.977 1.00 1.40 N ATOM 580 CA LEU A 37 -4.198 11.908 8.730 1.00 1.79 C ATOM 581 C LEU A 37 -5.700 12.178 8.617 1.00 1.95 C ATOM 582 O LEU A 37 -6.419 11.492 7.921 1.00 2.32 O ATOM 583 CB LEU A 37 -3.940 10.400 8.778 1.00 1.98 C ATOM 584 CG LEU A 37 -4.629 9.716 7.601 1.00 0.96 C ATOM 585 CD1 LEU A 37 -3.676 8.692 6.983 1.00 2.40 C ATOM 586 CD2 LEU A 37 -5.892 9.007 8.098 1.00 1.46 C ATOM 0 H LEU A 37 -2.818 13.085 9.849 1.00 1.40 H new ATOM 0 HA LEU A 37 -3.703 12.342 7.861 1.00 1.79 H new ATOM 0 HB2 LEU A 37 -2.868 10.205 8.746 1.00 1.98 H new ATOM 0 HB3 LEU A 37 -4.311 9.989 9.717 1.00 1.98 H new ATOM 0 HG LEU A 37 -4.900 10.458 6.850 1.00 0.96 H new ATOM 0 HD11 LEU A 37 -4.165 8.201 6.142 1.00 2.40 H new ATOM 0 HD12 LEU A 37 -2.775 9.197 6.635 1.00 2.40 H new ATOM 0 HD13 LEU A 37 -3.408 7.947 7.732 1.00 2.40 H new ATOM 0 HD21 LEU A 37 -6.388 8.517 7.260 1.00 1.46 H new ATOM 0 HD22 LEU A 37 -5.621 8.262 8.846 1.00 1.46 H new ATOM 0 HD23 LEU A 37 -6.568 9.737 8.543 1.00 1.46 H new ATOM 598 N GLY A 38 -6.182 13.178 9.288 1.00 1.82 N ATOM 599 CA GLY A 38 -7.629 13.481 9.211 1.00 2.02 C ATOM 600 C GLY A 38 -8.366 12.680 10.288 1.00 2.30 C ATOM 601 O GLY A 38 -9.574 12.554 10.263 1.00 2.70 O ATOM 0 H GLY A 38 -5.637 13.798 9.886 1.00 1.82 H new ATOM 0 HA2 GLY A 38 -7.798 14.548 9.354 1.00 2.02 H new ATOM 0 HA3 GLY A 38 -8.014 13.227 8.224 1.00 2.02 H new ATOM 605 N ASN A 39 -7.643 12.131 11.231 1.00 2.19 N ATOM 606 CA ASN A 39 -8.294 11.333 12.305 1.00 2.55 C ATOM 607 C ASN A 39 -8.554 12.221 13.525 1.00 2.44 C ATOM 608 O ASN A 39 -8.855 11.741 14.599 1.00 3.51 O ATOM 609 CB ASN A 39 -7.383 10.168 12.708 1.00 2.75 C ATOM 610 CG ASN A 39 -7.021 9.337 11.473 1.00 2.89 C ATOM 611 OD1 ASN A 39 -7.704 9.391 10.470 1.00 3.10 O ATOM 612 ND2 ASN A 39 -5.966 8.563 11.506 1.00 2.81 N ATOM 0 H ASN A 39 -6.628 12.203 11.301 1.00 2.19 H new ATOM 0 HA ASN A 39 -9.241 10.942 11.934 1.00 2.55 H new ATOM 0 HB2 ASN A 39 -6.477 10.550 13.179 1.00 2.75 H new ATOM 0 HB3 ASN A 39 -7.885 9.541 13.445 1.00 2.75 H new ATOM 0 HD21 ASN A 39 -5.717 8.005 10.689 1.00 2.81 H new ATOM 0 HD22 ASN A 39 -5.393 8.518 12.348 1.00 2.81 H new ATOM 619 N GLU A 40 -8.432 13.508 13.360 1.00 2.96 N ATOM 620 CA GLU A 40 -8.664 14.469 14.486 1.00 2.86 C ATOM 621 C GLU A 40 -7.538 14.367 15.512 1.00 2.22 C ATOM 622 O GLU A 40 -6.924 15.347 15.884 1.00 2.41 O ATOM 623 CB GLU A 40 -10.008 14.177 15.163 1.00 2.93 C ATOM 624 CG GLU A 40 -11.145 14.455 14.178 1.00 3.79 C ATOM 625 CD GLU A 40 -12.389 13.672 14.600 1.00 3.70 C ATOM 626 OE1 GLU A 40 -13.048 14.101 15.533 1.00 4.10 O ATOM 627 OE2 GLU A 40 -12.661 12.655 13.983 1.00 3.38 O ATOM 0 H GLU A 40 -8.176 13.948 12.476 1.00 2.96 H new ATOM 0 HA GLU A 40 -8.682 15.480 14.079 1.00 2.86 H new ATOM 0 HB2 GLU A 40 -10.044 13.139 15.493 1.00 2.93 H new ATOM 0 HB3 GLU A 40 -10.122 14.798 16.052 1.00 2.93 H new ATOM 0 HG2 GLU A 40 -11.365 15.522 14.153 1.00 3.79 H new ATOM 0 HG3 GLU A 40 -10.846 14.167 13.170 1.00 3.79 H new ATOM 634 N HIS A 41 -7.269 13.188 15.963 1.00 0.00 N ATOM 635 CA HIS A 41 -6.184 12.988 16.969 1.00 0.00 C ATOM 636 C HIS A 41 -4.913 12.542 16.245 1.00 0.00 C ATOM 637 O HIS A 41 -4.976 12.090 15.119 1.00 0.00 O ATOM 638 CB HIS A 41 -6.612 11.910 17.969 1.00 0.00 C ATOM 639 CG HIS A 41 -7.746 12.427 18.812 1.00 0.00 C ATOM 640 ND1 HIS A 41 -8.934 12.877 18.258 1.00 0.00 N ATOM 641 CD2 HIS A 41 -7.887 12.573 20.170 1.00 0.00 C ATOM 642 CE1 HIS A 41 -9.731 13.268 19.269 1.00 0.00 C ATOM 643 NE2 HIS A 41 -9.141 13.104 20.456 1.00 0.00 N ATOM 0 H HIS A 41 -7.755 12.337 15.680 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.995 13.919 17.503 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -6.921 11.009 17.439 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.770 11.633 18.604 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -7.138 12.315 20.904 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -10.726 13.666 19.137 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -9.527 13.321 21.375 1.00 0.00 H new ATOM 651 N PRO A 42 -3.793 12.683 16.906 1.00 1.65 N ATOM 652 CA PRO A 42 -2.494 12.299 16.334 1.00 1.94 C ATOM 653 C PRO A 42 -2.315 10.786 16.399 1.00 1.74 C ATOM 654 O PRO A 42 -2.631 10.158 17.390 1.00 1.69 O ATOM 655 CB PRO A 42 -1.478 12.987 17.242 1.00 2.44 C ATOM 656 CG PRO A 42 -2.194 13.235 18.584 1.00 3.45 C ATOM 657 CD PRO A 42 -3.708 13.231 18.278 1.00 2.28 C ATOM 0 HA PRO A 42 -2.392 12.585 15.287 1.00 1.94 H new ATOM 0 HB2 PRO A 42 -0.596 12.362 17.382 1.00 2.44 H new ATOM 0 HB3 PRO A 42 -1.138 13.925 16.804 1.00 2.44 H new ATOM 0 HG2 PRO A 42 -1.942 12.460 19.308 1.00 3.45 H new ATOM 0 HG3 PRO A 42 -1.888 14.187 19.017 1.00 3.45 H new ATOM 0 HD2 PRO A 42 -4.258 12.614 18.989 1.00 2.28 H new ATOM 0 HD3 PRO A 42 -4.129 14.235 18.334 1.00 2.28 H new ATOM 665 N VAL A 43 -1.801 10.196 15.363 1.00 1.64 N ATOM 666 CA VAL A 43 -1.596 8.727 15.388 1.00 1.63 C ATOM 667 C VAL A 43 -0.102 8.430 15.433 1.00 1.66 C ATOM 668 O VAL A 43 0.629 8.726 14.510 1.00 1.65 O ATOM 669 CB VAL A 43 -2.212 8.095 14.141 1.00 1.91 C ATOM 670 CG1 VAL A 43 -3.622 8.650 13.927 1.00 1.51 C ATOM 671 CG2 VAL A 43 -1.347 8.414 12.919 1.00 3.58 C ATOM 0 H VAL A 43 -1.515 10.664 14.503 1.00 1.64 H new ATOM 0 HA VAL A 43 -2.078 8.308 16.271 1.00 1.63 H new ATOM 0 HB VAL A 43 -2.263 7.014 14.275 1.00 1.91 H new ATOM 0 HG11 VAL A 43 -4.060 8.198 13.037 1.00 1.51 H new ATOM 0 HG12 VAL A 43 -4.240 8.417 14.794 1.00 1.51 H new ATOM 0 HG13 VAL A 43 -3.572 9.731 13.797 1.00 1.51 H new ATOM 0 HG21 VAL A 43 -1.790 7.961 12.032 1.00 3.58 H new ATOM 0 HG22 VAL A 43 -1.290 9.494 12.785 1.00 3.58 H new ATOM 0 HG23 VAL A 43 -0.344 8.014 13.069 1.00 3.58 H new ATOM 681 N LEU A 44 0.361 7.846 16.499 1.00 1.83 N ATOM 682 CA LEU A 44 1.807 7.539 16.590 1.00 1.94 C ATOM 683 C LEU A 44 2.150 6.458 15.572 1.00 2.00 C ATOM 684 O LEU A 44 1.898 5.288 15.777 1.00 2.65 O ATOM 685 CB LEU A 44 2.150 7.060 17.993 1.00 2.14 C ATOM 686 CG LEU A 44 3.627 6.685 18.040 1.00 2.02 C ATOM 687 CD1 LEU A 44 4.474 7.907 17.674 1.00 1.83 C ATOM 688 CD2 LEU A 44 3.989 6.214 19.449 1.00 2.55 C ATOM 0 H LEU A 44 -0.198 7.570 17.306 1.00 1.83 H new ATOM 0 HA LEU A 44 2.386 8.438 16.378 1.00 1.94 H new ATOM 0 HB2 LEU A 44 1.937 7.843 18.721 1.00 2.14 H new ATOM 0 HB3 LEU A 44 1.534 6.201 18.259 1.00 2.14 H new ATOM 0 HG LEU A 44 3.822 5.882 17.329 1.00 2.02 H new ATOM 0 HD11 LEU A 44 5.530 7.641 17.707 1.00 1.83 H new ATOM 0 HD12 LEU A 44 4.215 8.241 16.669 1.00 1.83 H new ATOM 0 HD13 LEU A 44 4.280 8.710 18.385 1.00 1.83 H new ATOM 0 HD21 LEU A 44 5.045 5.946 19.483 1.00 2.55 H new ATOM 0 HD22 LEU A 44 3.795 7.016 20.162 1.00 2.55 H new ATOM 0 HD23 LEU A 44 3.385 5.344 19.708 1.00 2.55 H new ATOM 700 N VAL A 45 2.718 6.849 14.471 1.00 1.36 N ATOM 701 CA VAL A 45 3.077 5.860 13.420 1.00 1.34 C ATOM 702 C VAL A 45 4.605 5.735 13.349 1.00 1.15 C ATOM 703 O VAL A 45 5.326 6.617 13.772 1.00 0.98 O ATOM 704 CB VAL A 45 2.479 6.325 12.078 1.00 1.33 C ATOM 705 CG1 VAL A 45 3.531 7.030 11.212 1.00 1.45 C ATOM 706 CG2 VAL A 45 1.925 5.115 11.322 1.00 2.66 C ATOM 0 H VAL A 45 2.951 7.817 14.251 1.00 1.36 H new ATOM 0 HA VAL A 45 2.670 4.876 13.654 1.00 1.34 H new ATOM 0 HB VAL A 45 1.680 7.036 12.289 1.00 1.33 H new ATOM 0 HG11 VAL A 45 3.077 7.345 10.273 1.00 1.45 H new ATOM 0 HG12 VAL A 45 3.913 7.903 11.742 1.00 1.45 H new ATOM 0 HG13 VAL A 45 4.352 6.343 11.006 1.00 1.45 H new ATOM 0 HG21 VAL A 45 1.502 5.442 10.372 1.00 2.66 H new ATOM 0 HG22 VAL A 45 2.729 4.403 11.135 1.00 2.66 H new ATOM 0 HG23 VAL A 45 1.149 4.637 11.920 1.00 2.66 H new ATOM 716 N LYS A 46 5.105 4.646 12.833 1.00 1.23 N ATOM 717 CA LYS A 46 6.584 4.470 12.757 1.00 1.30 C ATOM 718 C LYS A 46 7.142 5.209 11.538 1.00 1.32 C ATOM 719 O LYS A 46 6.409 5.716 10.712 1.00 1.76 O ATOM 720 CB LYS A 46 6.917 2.981 12.644 1.00 1.56 C ATOM 721 CG LYS A 46 6.473 2.259 13.918 1.00 0.92 C ATOM 722 CD LYS A 46 7.036 0.837 13.921 1.00 1.05 C ATOM 723 CE LYS A 46 7.973 0.660 15.116 1.00 3.40 C ATOM 724 NZ LYS A 46 8.002 -0.775 15.516 1.00 3.89 N ATOM 0 H LYS A 46 4.555 3.871 12.461 1.00 1.23 H new ATOM 0 HA LYS A 46 7.036 4.881 13.660 1.00 1.30 H new ATOM 0 HB2 LYS A 46 6.417 2.551 11.777 1.00 1.56 H new ATOM 0 HB3 LYS A 46 7.988 2.848 12.493 1.00 1.56 H new ATOM 0 HG2 LYS A 46 6.822 2.802 14.797 1.00 0.92 H new ATOM 0 HG3 LYS A 46 5.385 2.231 13.972 1.00 0.92 H new ATOM 0 HD2 LYS A 46 6.223 0.113 13.973 1.00 1.05 H new ATOM 0 HD3 LYS A 46 7.574 0.646 12.992 1.00 1.05 H new ATOM 0 HE2 LYS A 46 8.977 0.997 14.858 1.00 3.40 H new ATOM 0 HE3 LYS A 46 7.635 1.275 15.951 1.00 3.40 H new ATOM 0 HZ1 LYS A 46 8.639 -0.896 16.329 1.00 3.89 H new ATOM 0 HZ2 LYS A 46 7.044 -1.082 15.779 1.00 3.89 H new ATOM 0 HZ3 LYS A 46 8.343 -1.350 14.720 1.00 3.89 H new ATOM 738 N ILE A 47 8.441 5.267 11.426 1.00 1.37 N ATOM 739 CA ILE A 47 9.070 5.963 10.271 1.00 1.35 C ATOM 740 C ILE A 47 10.511 5.459 10.121 1.00 1.50 C ATOM 741 O ILE A 47 11.123 5.016 11.072 1.00 1.33 O ATOM 742 CB ILE A 47 9.054 7.483 10.518 1.00 1.47 C ATOM 743 CG1 ILE A 47 9.060 8.225 9.181 1.00 1.29 C ATOM 744 CG2 ILE A 47 10.280 7.905 11.329 1.00 4.07 C ATOM 745 CD1 ILE A 47 7.841 9.141 9.104 1.00 1.49 C ATOM 0 H ILE A 47 9.097 4.858 12.091 1.00 1.37 H new ATOM 0 HA ILE A 47 8.517 5.755 9.355 1.00 1.35 H new ATOM 0 HB ILE A 47 8.152 7.733 11.076 1.00 1.47 H new ATOM 0 HG12 ILE A 47 9.975 8.809 9.081 1.00 1.29 H new ATOM 0 HG13 ILE A 47 9.046 7.512 8.357 1.00 1.29 H new ATOM 0 HG21 ILE A 47 10.253 8.982 11.495 1.00 4.07 H new ATOM 0 HG22 ILE A 47 10.276 7.390 12.290 1.00 4.07 H new ATOM 0 HG23 ILE A 47 11.186 7.644 10.781 1.00 4.07 H new ATOM 0 HD11 ILE A 47 7.844 9.671 8.151 1.00 1.49 H new ATOM 0 HD12 ILE A 47 6.932 8.545 9.185 1.00 1.49 H new ATOM 0 HD13 ILE A 47 7.876 9.862 9.920 1.00 1.49 H new ATOM 757 N THR A 48 11.059 5.521 8.941 1.00 2.04 N ATOM 758 CA THR A 48 12.457 5.041 8.755 1.00 2.21 C ATOM 759 C THR A 48 13.422 6.221 8.870 1.00 2.65 C ATOM 760 O THR A 48 13.097 7.341 8.531 1.00 3.44 O ATOM 761 CB THR A 48 12.601 4.396 7.376 1.00 2.86 C ATOM 762 OG1 THR A 48 11.320 4.009 6.901 1.00 3.30 O ATOM 763 CG2 THR A 48 13.505 3.164 7.481 1.00 2.22 C ATOM 0 H THR A 48 10.604 5.881 8.102 1.00 2.04 H new ATOM 0 HA THR A 48 12.690 4.304 9.524 1.00 2.21 H new ATOM 0 HB THR A 48 13.044 5.111 6.682 1.00 2.86 H new ATOM 0 HG1 THR A 48 11.193 3.048 7.047 1.00 3.30 H new ATOM 0 HG21 THR A 48 13.608 2.704 6.498 1.00 2.22 H new ATOM 0 HG22 THR A 48 14.487 3.464 7.846 1.00 2.22 H new ATOM 0 HG23 THR A 48 13.064 2.447 8.173 1.00 2.22 H new ATOM 771 N LEU A 49 14.610 5.973 9.344 1.00 2.30 N ATOM 772 CA LEU A 49 15.607 7.068 9.484 1.00 2.76 C ATOM 773 C LEU A 49 16.825 6.740 8.617 1.00 3.25 C ATOM 774 O LEU A 49 17.542 5.793 8.870 1.00 3.93 O ATOM 775 CB LEU A 49 16.031 7.186 10.953 1.00 2.56 C ATOM 776 CG LEU A 49 15.932 8.639 11.402 1.00 2.51 C ATOM 777 CD1 LEU A 49 16.862 9.506 10.548 1.00 4.57 C ATOM 778 CD2 LEU A 49 14.488 9.124 11.242 1.00 2.12 C ATOM 0 H LEU A 49 14.935 5.053 9.642 1.00 2.30 H new ATOM 0 HA LEU A 49 15.172 8.014 9.162 1.00 2.76 H new ATOM 0 HB2 LEU A 49 15.394 6.559 11.577 1.00 2.56 H new ATOM 0 HB3 LEU A 49 17.052 6.826 11.077 1.00 2.56 H new ATOM 0 HG LEU A 49 16.228 8.716 12.448 1.00 2.51 H new ATOM 0 HD11 LEU A 49 16.789 10.545 10.871 1.00 4.57 H new ATOM 0 HD12 LEU A 49 17.889 9.161 10.664 1.00 4.57 H new ATOM 0 HD13 LEU A 49 16.570 9.430 9.501 1.00 4.57 H new ATOM 0 HD21 LEU A 49 14.416 10.163 11.563 1.00 2.12 H new ATOM 0 HD22 LEU A 49 14.192 9.046 10.196 1.00 2.12 H new ATOM 0 HD23 LEU A 49 13.828 8.509 11.853 1.00 2.12 H new ATOM 790 N ASP A 50 17.057 7.509 7.588 1.00 2.94 N ATOM 791 CA ASP A 50 18.221 7.234 6.697 1.00 3.28 C ATOM 792 C ASP A 50 19.501 7.142 7.528 1.00 3.53 C ATOM 793 O ASP A 50 19.634 7.776 8.556 1.00 3.43 O ATOM 794 CB ASP A 50 18.357 8.364 5.675 1.00 3.41 C ATOM 795 CG ASP A 50 18.166 7.802 4.265 1.00 3.68 C ATOM 796 OD1 ASP A 50 17.039 7.484 3.923 1.00 3.50 O ATOM 797 OD2 ASP A 50 19.150 7.700 3.551 1.00 4.77 O ATOM 0 H ASP A 50 16.491 8.316 7.326 1.00 2.94 H new ATOM 0 HA ASP A 50 18.061 6.288 6.179 1.00 3.28 H new ATOM 0 HB2 ASP A 50 17.616 9.139 5.873 1.00 3.41 H new ATOM 0 HB3 ASP A 50 19.338 8.831 5.762 1.00 3.41 H new ATOM 802 N GLU A 51 20.448 6.357 7.087 1.00 3.85 N ATOM 803 CA GLU A 51 21.723 6.224 7.847 1.00 4.16 C ATOM 804 C GLU A 51 22.434 7.578 7.885 1.00 4.10 C ATOM 805 O GLU A 51 22.813 8.121 6.866 1.00 4.07 O ATOM 806 CB GLU A 51 22.623 5.195 7.159 1.00 4.49 C ATOM 807 CG GLU A 51 23.550 4.555 8.196 1.00 5.07 C ATOM 808 CD GLU A 51 24.987 4.548 7.669 1.00 5.09 C ATOM 809 OE1 GLU A 51 25.221 5.141 6.629 1.00 3.74 O ATOM 810 OE2 GLU A 51 25.831 3.948 8.315 1.00 6.49 O ATOM 0 H GLU A 51 20.393 5.802 6.233 1.00 3.85 H new ATOM 0 HA GLU A 51 21.508 5.895 8.864 1.00 4.16 H new ATOM 0 HB2 GLU A 51 22.016 4.429 6.677 1.00 4.49 H new ATOM 0 HB3 GLU A 51 23.211 5.675 6.377 1.00 4.49 H new ATOM 0 HG2 GLU A 51 23.499 5.108 9.134 1.00 5.07 H new ATOM 0 HG3 GLU A 51 23.225 3.536 8.409 1.00 5.07 H new ATOM 817 N GLY A 52 22.616 8.128 9.053 1.00 4.10 N ATOM 818 CA GLY A 52 23.301 9.447 9.156 1.00 4.03 C ATOM 819 C GLY A 52 22.255 10.560 9.226 1.00 3.54 C ATOM 820 O GLY A 52 22.539 11.667 9.638 1.00 3.65 O ATOM 0 H GLY A 52 22.320 7.722 9.941 1.00 4.10 H new ATOM 0 HA2 GLY A 52 23.934 9.472 10.043 1.00 4.03 H new ATOM 0 HA3 GLY A 52 23.952 9.599 8.295 1.00 4.03 H new ATOM 824 N GLN A 53 21.045 10.276 8.827 1.00 3.06 N ATOM 825 CA GLN A 53 19.984 11.320 8.874 1.00 2.73 C ATOM 826 C GLN A 53 19.534 11.519 10.325 1.00 2.80 C ATOM 827 O GLN A 53 19.482 10.577 11.089 1.00 2.99 O ATOM 828 CB GLN A 53 18.791 10.873 8.026 1.00 2.42 C ATOM 829 CG GLN A 53 18.668 11.779 6.799 1.00 2.52 C ATOM 830 CD GLN A 53 17.224 11.764 6.294 1.00 0.86 C ATOM 831 OE1 GLN A 53 16.300 11.600 7.066 1.00 0.90 O ATOM 832 NE2 GLN A 53 16.989 11.929 5.021 1.00 0.92 N ATOM 0 H GLN A 53 20.746 9.368 8.471 1.00 3.06 H new ATOM 0 HA GLN A 53 20.376 12.258 8.481 1.00 2.73 H new ATOM 0 HB2 GLN A 53 18.921 9.837 7.714 1.00 2.42 H new ATOM 0 HB3 GLN A 53 17.876 10.916 8.616 1.00 2.42 H new ATOM 0 HG2 GLN A 53 18.964 12.796 7.054 1.00 2.52 H new ATOM 0 HG3 GLN A 53 19.342 11.438 6.013 1.00 2.52 H new ATOM 0 HE21 GLN A 53 17.764 12.067 4.373 1.00 0.92 H new ATOM 0 HE22 GLN A 53 16.030 11.920 4.674 1.00 0.92 H new ATOM 841 N PRO A 54 19.223 12.746 10.661 1.00 2.70 N ATOM 842 CA PRO A 54 18.774 13.107 12.016 1.00 2.85 C ATOM 843 C PRO A 54 17.304 12.726 12.214 1.00 2.33 C ATOM 844 O PRO A 54 16.442 13.143 11.467 1.00 2.46 O ATOM 845 CB PRO A 54 18.954 14.623 12.064 1.00 3.16 C ATOM 846 CG PRO A 54 18.949 15.106 10.599 1.00 2.76 C ATOM 847 CD PRO A 54 19.290 13.885 9.726 1.00 2.59 C ATOM 0 HA PRO A 54 19.329 12.592 12.800 1.00 2.85 H new ATOM 0 HB2 PRO A 54 18.150 15.092 12.631 1.00 3.16 H new ATOM 0 HB3 PRO A 54 19.889 14.888 12.558 1.00 3.16 H new ATOM 0 HG2 PRO A 54 17.975 15.513 10.330 1.00 2.76 H new ATOM 0 HG3 PRO A 54 19.679 15.902 10.452 1.00 2.76 H new ATOM 0 HD2 PRO A 54 18.581 13.770 8.906 1.00 2.59 H new ATOM 0 HD3 PRO A 54 20.280 13.977 9.280 1.00 2.59 H new ATOM 855 N ALA A 55 17.015 11.934 13.213 1.00 1.73 N ATOM 856 CA ALA A 55 15.607 11.523 13.460 1.00 1.04 C ATOM 857 C ALA A 55 14.669 12.713 13.256 1.00 1.10 C ATOM 858 O ALA A 55 15.014 13.846 13.529 1.00 1.72 O ATOM 859 CB ALA A 55 15.479 11.020 14.895 1.00 0.78 C ATOM 0 H ALA A 55 17.698 11.554 13.869 1.00 1.73 H new ATOM 0 HA ALA A 55 15.335 10.732 12.761 1.00 1.04 H new ATOM 0 HB1 ALA A 55 14.449 10.717 15.084 1.00 0.78 H new ATOM 0 HB2 ALA A 55 16.141 10.167 15.042 1.00 0.78 H new ATOM 0 HB3 ALA A 55 15.755 11.817 15.586 1.00 0.78 H new ATOM 865 N TYR A 56 13.480 12.461 12.782 1.00 0.80 N ATOM 866 CA TYR A 56 12.513 13.572 12.566 1.00 1.22 C ATOM 867 C TYR A 56 12.482 14.451 13.816 1.00 1.20 C ATOM 868 O TYR A 56 11.837 14.134 14.795 1.00 1.47 O ATOM 869 CB TYR A 56 11.116 12.996 12.295 1.00 1.44 C ATOM 870 CG TYR A 56 11.150 12.189 11.013 1.00 1.62 C ATOM 871 CD1 TYR A 56 11.607 10.865 11.037 1.00 1.33 C ATOM 872 CD2 TYR A 56 10.748 12.769 9.805 1.00 2.33 C ATOM 873 CE1 TYR A 56 11.658 10.122 9.855 1.00 1.58 C ATOM 874 CE2 TYR A 56 10.802 12.023 8.620 1.00 2.44 C ATOM 875 CZ TYR A 56 11.256 10.701 8.646 1.00 1.98 C ATOM 876 OH TYR A 56 11.309 9.966 7.479 1.00 2.19 O ATOM 0 H TYR A 56 13.137 11.533 12.535 1.00 0.80 H new ATOM 0 HA TYR A 56 12.820 14.169 11.707 1.00 1.22 H new ATOM 0 HB2 TYR A 56 10.802 12.366 13.127 1.00 1.44 H new ATOM 0 HB3 TYR A 56 10.387 13.802 12.212 1.00 1.44 H new ATOM 0 HD1 TYR A 56 11.920 10.419 11.969 1.00 1.33 H new ATOM 0 HD2 TYR A 56 10.397 13.790 9.786 1.00 2.33 H new ATOM 0 HE1 TYR A 56 12.008 9.100 9.874 1.00 1.58 H new ATOM 0 HE2 TYR A 56 10.493 12.469 7.686 1.00 2.44 H new ATOM 0 HH TYR A 56 11.817 9.143 7.634 1.00 2.19 H new ATOM 886 N ALA A 57 13.180 15.553 13.793 1.00 0.96 N ATOM 887 CA ALA A 57 13.198 16.453 14.980 1.00 0.89 C ATOM 888 C ALA A 57 11.766 16.675 15.477 1.00 0.86 C ATOM 889 O ALA A 57 10.818 16.275 14.831 1.00 1.02 O ATOM 890 CB ALA A 57 13.816 17.797 14.591 1.00 1.16 C ATOM 0 H ALA A 57 13.740 15.869 13.001 1.00 0.96 H new ATOM 0 HA ALA A 57 13.790 15.995 15.773 1.00 0.89 H new ATOM 0 HB1 ALA A 57 13.829 18.456 15.459 1.00 1.16 H new ATOM 0 HB2 ALA A 57 14.835 17.640 14.238 1.00 1.16 H new ATOM 0 HB3 ALA A 57 13.224 18.254 13.798 1.00 1.16 H new ATOM 896 N PRO A 58 11.656 17.312 16.615 1.00 0.78 N ATOM 897 CA PRO A 58 10.354 17.611 17.236 1.00 0.64 C ATOM 898 C PRO A 58 9.698 18.809 16.543 1.00 0.87 C ATOM 899 O PRO A 58 10.170 19.925 16.633 1.00 1.43 O ATOM 900 CB PRO A 58 10.716 17.948 18.685 1.00 0.49 C ATOM 901 CG PRO A 58 12.203 18.373 18.676 1.00 1.99 C ATOM 902 CD PRO A 58 12.819 17.794 17.389 1.00 1.40 C ATOM 0 HA PRO A 58 9.642 16.789 17.162 1.00 0.64 H new ATOM 0 HB2 PRO A 58 10.085 18.751 19.066 1.00 0.49 H new ATOM 0 HB3 PRO A 58 10.562 17.086 19.334 1.00 0.49 H new ATOM 0 HG2 PRO A 58 12.296 19.459 18.695 1.00 1.99 H new ATOM 0 HG3 PRO A 58 12.720 17.993 19.558 1.00 1.99 H new ATOM 0 HD2 PRO A 58 13.377 18.552 16.839 1.00 1.40 H new ATOM 0 HD3 PRO A 58 13.514 16.984 17.610 1.00 1.40 H new ATOM 910 N GLY A 59 8.615 18.586 15.850 1.00 0.58 N ATOM 911 CA GLY A 59 7.936 19.714 15.152 1.00 0.78 C ATOM 912 C GLY A 59 6.764 19.178 14.328 1.00 0.91 C ATOM 913 O GLY A 59 6.487 17.996 14.326 1.00 0.70 O ATOM 0 H GLY A 59 8.172 17.674 15.737 1.00 0.58 H new ATOM 0 HA2 GLY A 59 7.579 20.443 15.880 1.00 0.78 H new ATOM 0 HA3 GLY A 59 8.643 20.232 14.503 1.00 0.78 H new ATOM 917 N LEU A 60 6.079 20.036 13.619 1.00 1.24 N ATOM 918 CA LEU A 60 4.935 19.567 12.784 1.00 1.48 C ATOM 919 C LEU A 60 5.500 18.823 11.576 1.00 1.83 C ATOM 920 O LEU A 60 6.662 18.954 11.259 1.00 2.08 O ATOM 921 CB LEU A 60 4.118 20.775 12.307 1.00 1.32 C ATOM 922 CG LEU A 60 2.713 20.744 12.918 1.00 2.00 C ATOM 923 CD1 LEU A 60 2.405 22.103 13.550 1.00 1.28 C ATOM 924 CD2 LEU A 60 1.689 20.449 11.818 1.00 2.78 C ATOM 0 H LEU A 60 6.262 21.039 13.582 1.00 1.24 H new ATOM 0 HA LEU A 60 4.288 18.909 13.364 1.00 1.48 H new ATOM 0 HB2 LEU A 60 4.624 21.698 12.589 1.00 1.32 H new ATOM 0 HB3 LEU A 60 4.049 20.769 11.219 1.00 1.32 H new ATOM 0 HG LEU A 60 2.662 19.968 13.681 1.00 2.00 H new ATOM 0 HD11 LEU A 60 1.406 22.084 13.985 1.00 1.28 H new ATOM 0 HD12 LEU A 60 3.137 22.316 14.329 1.00 1.28 H new ATOM 0 HD13 LEU A 60 2.453 22.879 12.786 1.00 1.28 H new ATOM 0 HD21 LEU A 60 0.688 20.426 12.249 1.00 2.78 H new ATOM 0 HD22 LEU A 60 1.738 21.227 11.057 1.00 2.78 H new ATOM 0 HD23 LEU A 60 1.911 19.483 11.364 1.00 2.78 H new ATOM 936 N TYR A 61 4.705 18.033 10.906 1.00 1.90 N ATOM 937 CA TYR A 61 5.234 17.286 9.741 1.00 2.09 C ATOM 938 C TYR A 61 4.173 17.095 8.678 1.00 2.00 C ATOM 939 O TYR A 61 2.987 17.232 8.908 1.00 1.80 O ATOM 940 CB TYR A 61 5.730 15.917 10.195 1.00 2.42 C ATOM 941 CG TYR A 61 7.139 16.073 10.687 1.00 2.13 C ATOM 942 CD1 TYR A 61 7.373 16.587 11.963 1.00 1.60 C ATOM 943 CD2 TYR A 61 8.210 15.736 9.853 1.00 2.48 C ATOM 944 CE1 TYR A 61 8.682 16.763 12.412 1.00 1.31 C ATOM 945 CE2 TYR A 61 9.519 15.914 10.299 1.00 2.21 C ATOM 946 CZ TYR A 61 9.753 16.427 11.577 1.00 1.55 C ATOM 947 OH TYR A 61 11.047 16.598 12.024 1.00 1.32 O ATOM 0 H TYR A 61 3.719 17.876 11.117 1.00 1.90 H new ATOM 0 HA TYR A 61 6.052 17.866 9.315 1.00 2.09 H new ATOM 0 HB2 TYR A 61 5.092 15.524 10.986 1.00 2.42 H new ATOM 0 HB3 TYR A 61 5.691 15.205 9.371 1.00 2.42 H new ATOM 0 HD1 TYR A 61 6.542 16.848 12.602 1.00 1.60 H new ATOM 0 HD2 TYR A 61 8.024 15.339 8.866 1.00 2.48 H new ATOM 0 HE1 TYR A 61 8.868 17.157 13.400 1.00 1.31 H new ATOM 0 HE2 TYR A 61 10.349 15.656 9.658 1.00 2.21 H new ATOM 0 HH TYR A 61 11.055 16.615 13.004 1.00 1.32 H new ATOM 957 N THR A 62 4.618 16.739 7.518 1.00 2.19 N ATOM 958 CA THR A 62 3.707 16.478 6.394 1.00 1.89 C ATOM 959 C THR A 62 4.356 15.395 5.565 1.00 1.85 C ATOM 960 O THR A 62 5.460 15.549 5.079 1.00 1.47 O ATOM 961 CB THR A 62 3.522 17.731 5.552 1.00 1.63 C ATOM 962 OG1 THR A 62 4.703 17.977 4.801 1.00 1.73 O ATOM 963 CG2 THR A 62 3.237 18.914 6.470 1.00 3.45 C ATOM 0 H THR A 62 5.606 16.615 7.299 1.00 2.19 H new ATOM 0 HA THR A 62 2.723 16.176 6.753 1.00 1.89 H new ATOM 0 HB THR A 62 2.686 17.594 4.867 1.00 1.63 H new ATOM 0 HG1 THR A 62 4.583 18.783 4.257 1.00 1.73 H new ATOM 0 HG21 THR A 62 3.104 19.815 5.871 1.00 3.45 H new ATOM 0 HG22 THR A 62 2.329 18.720 7.042 1.00 3.45 H new ATOM 0 HG23 THR A 62 4.074 19.054 7.154 1.00 3.45 H new ATOM 971 N VAL A 63 3.712 14.291 5.423 1.00 2.49 N ATOM 972 CA VAL A 63 4.340 13.204 4.645 1.00 2.44 C ATOM 973 C VAL A 63 4.766 13.755 3.293 1.00 2.40 C ATOM 974 O VAL A 63 4.422 14.859 2.922 1.00 2.49 O ATOM 975 CB VAL A 63 3.368 12.048 4.473 1.00 2.49 C ATOM 976 CG1 VAL A 63 4.128 10.833 3.952 1.00 2.54 C ATOM 977 CG2 VAL A 63 2.742 11.713 5.831 1.00 2.46 C ATOM 0 H VAL A 63 2.788 14.090 5.805 1.00 2.49 H new ATOM 0 HA VAL A 63 5.215 12.827 5.175 1.00 2.44 H new ATOM 0 HB VAL A 63 2.584 12.322 3.766 1.00 2.49 H new ATOM 0 HG11 VAL A 63 3.438 9.999 3.826 1.00 2.54 H new ATOM 0 HG12 VAL A 63 4.585 11.074 2.992 1.00 2.54 H new ATOM 0 HG13 VAL A 63 4.905 10.557 4.665 1.00 2.54 H new ATOM 0 HG21 VAL A 63 2.043 10.884 5.715 1.00 2.46 H new ATOM 0 HG22 VAL A 63 3.526 11.431 6.534 1.00 2.46 H new ATOM 0 HG23 VAL A 63 2.210 12.585 6.212 1.00 2.46 H new ATOM 987 N HIS A 64 5.524 13.004 2.563 1.00 2.55 N ATOM 988 CA HIS A 64 5.989 13.491 1.240 1.00 2.55 C ATOM 989 C HIS A 64 5.764 12.398 0.197 1.00 2.45 C ATOM 990 O HIS A 64 6.185 11.268 0.371 1.00 2.03 O ATOM 991 CB HIS A 64 7.480 13.831 1.318 1.00 2.14 C ATOM 992 CG HIS A 64 7.816 14.870 0.283 1.00 2.52 C ATOM 993 ND1 HIS A 64 7.219 14.886 -0.968 1.00 3.65 N ATOM 994 CD2 HIS A 64 8.698 15.924 0.289 1.00 2.18 C ATOM 995 CE1 HIS A 64 7.745 15.908 -1.658 1.00 3.81 C ATOM 996 NE2 HIS A 64 8.652 16.578 -0.940 1.00 2.75 N ATOM 0 H HIS A 64 5.845 12.071 2.822 1.00 2.55 H new ATOM 0 HA HIS A 64 5.431 14.384 0.958 1.00 2.55 H new ATOM 0 HB2 HIS A 64 7.727 14.201 2.313 1.00 2.14 H new ATOM 0 HB3 HIS A 64 8.077 12.934 1.154 1.00 2.14 H new ATOM 0 HD2 HIS A 64 9.330 16.203 1.119 1.00 2.18 H new ATOM 0 HE1 HIS A 64 7.469 16.160 -2.671 1.00 3.81 H new ATOM 0 HE2 HIS A 64 9.194 17.392 -1.230 1.00 2.75 H new ATOM 1004 N LEU A 65 5.103 12.720 -0.886 1.00 3.00 N ATOM 1005 CA LEU A 65 4.853 11.698 -1.935 1.00 3.06 C ATOM 1006 C LEU A 65 6.151 11.392 -2.687 1.00 1.74 C ATOM 1007 O LEU A 65 6.170 10.585 -3.595 1.00 1.19 O ATOM 1008 CB LEU A 65 3.789 12.206 -2.912 1.00 4.20 C ATOM 1009 CG LEU A 65 4.401 13.236 -3.842 1.00 2.68 C ATOM 1010 CD1 LEU A 65 4.392 12.695 -5.274 1.00 1.93 C ATOM 1011 CD2 LEU A 65 3.596 14.533 -3.777 1.00 4.06 C ATOM 0 H LEU A 65 4.728 13.647 -1.085 1.00 3.00 H new ATOM 0 HA LEU A 65 4.495 10.783 -1.463 1.00 3.06 H new ATOM 0 HB2 LEU A 65 3.385 11.375 -3.490 1.00 4.20 H new ATOM 0 HB3 LEU A 65 2.957 12.646 -2.362 1.00 4.20 H new ATOM 0 HG LEU A 65 5.427 13.437 -3.535 1.00 2.68 H new ATOM 0 HD11 LEU A 65 4.831 13.433 -5.945 1.00 1.93 H new ATOM 0 HD12 LEU A 65 4.973 11.774 -5.318 1.00 1.93 H new ATOM 0 HD13 LEU A 65 3.366 12.492 -5.580 1.00 1.93 H new ATOM 0 HD21 LEU A 65 4.039 15.270 -4.447 1.00 4.06 H new ATOM 0 HD22 LEU A 65 2.567 14.338 -4.081 1.00 4.06 H new ATOM 0 HD23 LEU A 65 3.606 14.917 -2.757 1.00 4.06 H new ATOM 1023 N SER A 66 7.247 12.002 -2.307 1.00 1.55 N ATOM 1024 CA SER A 66 8.523 11.696 -3.001 1.00 1.07 C ATOM 1025 C SER A 66 8.757 10.193 -2.878 1.00 0.61 C ATOM 1026 O SER A 66 9.510 9.596 -3.622 1.00 1.49 O ATOM 1027 CB SER A 66 9.670 12.452 -2.329 1.00 1.79 C ATOM 1028 OG SER A 66 10.837 11.641 -2.336 1.00 0.89 O ATOM 0 H SER A 66 7.308 12.689 -1.555 1.00 1.55 H new ATOM 0 HA SER A 66 8.477 11.997 -4.047 1.00 1.07 H new ATOM 0 HB2 SER A 66 9.861 13.388 -2.854 1.00 1.79 H new ATOM 0 HB3 SER A 66 9.399 12.711 -1.305 1.00 1.79 H new ATOM 0 HG SER A 66 11.574 12.124 -1.907 1.00 0.89 H new ATOM 1034 N SER A 67 8.101 9.583 -1.926 1.00 0.83 N ATOM 1035 CA SER A 67 8.250 8.120 -1.714 1.00 1.84 C ATOM 1036 C SER A 67 7.122 7.373 -2.436 1.00 1.57 C ATOM 1037 O SER A 67 7.136 6.162 -2.540 1.00 2.29 O ATOM 1038 CB SER A 67 8.173 7.820 -0.218 1.00 2.77 C ATOM 1039 OG SER A 67 9.191 8.546 0.459 1.00 3.21 O ATOM 0 H SER A 67 7.461 10.046 -1.280 1.00 0.83 H new ATOM 0 HA SER A 67 9.211 7.793 -2.111 1.00 1.84 H new ATOM 0 HB2 SER A 67 7.193 8.097 0.170 1.00 2.77 H new ATOM 0 HB3 SER A 67 8.295 6.751 -0.043 1.00 2.77 H new ATOM 0 HG SER A 67 9.481 8.044 1.249 1.00 3.21 H new ATOM 1045 N PHE A 68 6.133 8.082 -2.917 1.00 0.67 N ATOM 1046 CA PHE A 68 4.997 7.410 -3.608 1.00 0.59 C ATOM 1047 C PHE A 68 5.411 7.023 -5.026 1.00 0.39 C ATOM 1048 O PHE A 68 6.303 7.608 -5.607 1.00 0.28 O ATOM 1049 CB PHE A 68 3.799 8.366 -3.666 1.00 0.70 C ATOM 1050 CG PHE A 68 3.463 8.871 -2.279 1.00 1.13 C ATOM 1051 CD1 PHE A 68 4.170 8.417 -1.152 1.00 2.35 C ATOM 1052 CD2 PHE A 68 2.459 9.834 -2.128 1.00 1.80 C ATOM 1053 CE1 PHE A 68 3.866 8.927 0.114 1.00 2.73 C ATOM 1054 CE2 PHE A 68 2.161 10.344 -0.862 1.00 1.95 C ATOM 1055 CZ PHE A 68 2.865 9.891 0.256 1.00 1.95 C ATOM 0 H PHE A 68 6.065 9.098 -2.860 1.00 0.67 H new ATOM 0 HA PHE A 68 4.720 6.511 -3.058 1.00 0.59 H new ATOM 0 HB2 PHE A 68 4.027 9.207 -4.321 1.00 0.70 H new ATOM 0 HB3 PHE A 68 2.937 7.854 -4.093 1.00 0.70 H new ATOM 0 HD1 PHE A 68 4.947 7.675 -1.264 1.00 2.35 H new ATOM 0 HD2 PHE A 68 1.913 10.184 -2.992 1.00 1.80 H new ATOM 0 HE1 PHE A 68 4.405 8.576 0.982 1.00 2.73 H new ATOM 0 HE2 PHE A 68 1.387 11.088 -0.748 1.00 1.95 H new ATOM 0 HZ PHE A 68 2.635 10.287 1.234 1.00 1.95 H new ATOM 1065 N LYS A 69 4.764 6.042 -5.589 1.00 0.57 N ATOM 1066 CA LYS A 69 5.112 5.614 -6.972 1.00 0.72 C ATOM 1067 C LYS A 69 3.867 5.048 -7.655 1.00 0.80 C ATOM 1068 O LYS A 69 2.881 4.741 -7.016 1.00 0.80 O ATOM 1069 CB LYS A 69 6.197 4.537 -6.921 1.00 0.90 C ATOM 1070 CG LYS A 69 7.291 4.959 -5.937 1.00 2.26 C ATOM 1071 CD LYS A 69 8.526 4.075 -6.132 1.00 2.61 C ATOM 1072 CE LYS A 69 8.184 2.630 -5.763 1.00 1.50 C ATOM 1073 NZ LYS A 69 8.661 1.716 -6.840 1.00 1.14 N ATOM 0 H LYS A 69 4.008 5.517 -5.150 1.00 0.57 H new ATOM 0 HA LYS A 69 5.481 6.472 -7.534 1.00 0.72 H new ATOM 0 HB2 LYS A 69 5.765 3.585 -6.614 1.00 0.90 H new ATOM 0 HB3 LYS A 69 6.623 4.388 -7.913 1.00 0.90 H new ATOM 0 HG2 LYS A 69 7.552 6.006 -6.094 1.00 2.26 H new ATOM 0 HG3 LYS A 69 6.927 4.872 -4.913 1.00 2.26 H new ATOM 0 HD2 LYS A 69 8.863 4.127 -7.167 1.00 2.61 H new ATOM 0 HD3 LYS A 69 9.346 4.436 -5.511 1.00 2.61 H new ATOM 0 HE2 LYS A 69 8.650 2.366 -4.814 1.00 1.50 H new ATOM 0 HE3 LYS A 69 7.107 2.522 -5.630 1.00 1.50 H new ATOM 0 HZ1 LYS A 69 8.429 0.734 -6.590 1.00 1.14 H new ATOM 0 HZ2 LYS A 69 8.196 1.964 -7.737 1.00 1.14 H new ATOM 0 HZ3 LYS A 69 9.691 1.812 -6.946 1.00 1.14 H new ATOM 1087 N VAL A 70 3.907 4.904 -8.949 1.00 0.84 N ATOM 1088 CA VAL A 70 2.729 4.353 -9.675 1.00 1.09 C ATOM 1089 C VAL A 70 2.949 2.862 -9.928 1.00 1.54 C ATOM 1090 O VAL A 70 3.873 2.469 -10.612 1.00 1.97 O ATOM 1091 CB VAL A 70 2.557 5.075 -11.008 1.00 1.31 C ATOM 1092 CG1 VAL A 70 1.091 5.012 -11.438 1.00 2.02 C ATOM 1093 CG2 VAL A 70 2.987 6.537 -10.864 1.00 1.18 C ATOM 0 H VAL A 70 4.705 5.144 -9.537 1.00 0.84 H new ATOM 0 HA VAL A 70 1.832 4.498 -9.073 1.00 1.09 H new ATOM 0 HB VAL A 70 3.178 4.591 -11.762 1.00 1.31 H new ATOM 0 HG11 VAL A 70 0.969 5.528 -12.390 1.00 2.02 H new ATOM 0 HG12 VAL A 70 0.789 3.971 -11.548 1.00 2.02 H new ATOM 0 HG13 VAL A 70 0.469 5.492 -10.683 1.00 2.02 H new ATOM 0 HG21 VAL A 70 2.862 7.049 -11.818 1.00 1.18 H new ATOM 0 HG22 VAL A 70 2.372 7.024 -10.108 1.00 1.18 H new ATOM 0 HG23 VAL A 70 4.034 6.580 -10.563 1.00 1.18 H new ATOM 1103 N GLY A 71 2.112 2.028 -9.379 1.00 1.56 N ATOM 1104 CA GLY A 71 2.279 0.562 -9.585 1.00 2.08 C ATOM 1105 C GLY A 71 1.733 0.172 -10.959 1.00 2.53 C ATOM 1106 O GLY A 71 1.127 0.970 -11.646 1.00 2.45 O ATOM 0 H GLY A 71 1.319 2.297 -8.796 1.00 1.56 H new ATOM 0 HA2 GLY A 71 3.332 0.292 -9.511 1.00 2.08 H new ATOM 0 HA3 GLY A 71 1.753 0.013 -8.804 1.00 2.08 H new ATOM 1110 N GLN A 72 1.940 -1.051 -11.369 1.00 3.20 N ATOM 1111 CA GLN A 72 1.429 -1.484 -12.697 1.00 3.74 C ATOM 1112 C GLN A 72 -0.075 -1.744 -12.616 1.00 3.11 C ATOM 1113 O GLN A 72 -0.708 -2.121 -13.581 1.00 3.34 O ATOM 1114 CB GLN A 72 2.155 -2.755 -13.134 1.00 4.64 C ATOM 1115 CG GLN A 72 1.624 -3.935 -12.328 1.00 4.78 C ATOM 1116 CD GLN A 72 2.784 -4.653 -11.640 1.00 4.87 C ATOM 1117 OE1 GLN A 72 3.647 -5.203 -12.294 1.00 6.73 O ATOM 1118 NE2 GLN A 72 2.839 -4.673 -10.337 1.00 3.55 N ATOM 0 H GLN A 72 2.440 -1.766 -10.841 1.00 3.20 H new ATOM 0 HA GLN A 72 1.612 -0.696 -13.428 1.00 3.74 H new ATOM 0 HB2 GLN A 72 2.002 -2.928 -14.199 1.00 4.64 H new ATOM 0 HB3 GLN A 72 3.229 -2.647 -12.980 1.00 4.64 H new ATOM 0 HG2 GLN A 72 0.907 -3.587 -11.584 1.00 4.78 H new ATOM 0 HG3 GLN A 72 1.093 -4.626 -12.983 1.00 4.78 H new ATOM 0 HE21 GLN A 72 2.114 -4.211 -9.789 1.00 3.55 H new ATOM 0 HE22 GLN A 72 3.607 -5.151 -9.866 1.00 3.55 H new ATOM 1127 N PHE A 73 -0.645 -1.537 -11.469 1.00 2.34 N ATOM 1128 CA PHE A 73 -2.108 -1.759 -11.304 1.00 1.67 C ATOM 1129 C PHE A 73 -2.857 -0.466 -11.632 1.00 1.56 C ATOM 1130 O PHE A 73 -4.066 -0.395 -11.534 1.00 1.28 O ATOM 1131 CB PHE A 73 -2.399 -2.164 -9.858 1.00 1.34 C ATOM 1132 CG PHE A 73 -2.701 -3.641 -9.800 1.00 1.69 C ATOM 1133 CD1 PHE A 73 -3.993 -4.103 -10.082 1.00 2.28 C ATOM 1134 CD2 PHE A 73 -1.691 -4.551 -9.465 1.00 2.37 C ATOM 1135 CE1 PHE A 73 -4.274 -5.473 -10.029 1.00 2.77 C ATOM 1136 CE2 PHE A 73 -1.972 -5.922 -9.412 1.00 2.90 C ATOM 1137 CZ PHE A 73 -3.264 -6.383 -9.694 1.00 2.86 C ATOM 0 H PHE A 73 -0.159 -1.221 -10.630 1.00 2.34 H new ATOM 0 HA PHE A 73 -2.437 -2.551 -11.977 1.00 1.67 H new ATOM 0 HB2 PHE A 73 -1.543 -1.932 -9.225 1.00 1.34 H new ATOM 0 HB3 PHE A 73 -3.244 -1.594 -9.473 1.00 1.34 H new ATOM 0 HD1 PHE A 73 -4.773 -3.402 -10.340 1.00 2.28 H new ATOM 0 HD2 PHE A 73 -0.695 -4.195 -9.247 1.00 2.37 H new ATOM 0 HE1 PHE A 73 -5.270 -5.828 -10.247 1.00 2.77 H new ATOM 0 HE2 PHE A 73 -1.193 -6.624 -9.154 1.00 2.90 H new ATOM 0 HZ PHE A 73 -3.481 -7.440 -9.653 1.00 2.86 H new ATOM 1147 N GLY A 74 -2.147 0.559 -12.018 1.00 1.90 N ATOM 1148 CA GLY A 74 -2.817 1.848 -12.351 1.00 2.12 C ATOM 1149 C GLY A 74 -3.352 2.491 -11.071 1.00 1.78 C ATOM 1150 O GLY A 74 -4.499 2.880 -10.994 1.00 2.62 O ATOM 0 H GLY A 74 -1.132 0.559 -12.117 1.00 1.90 H new ATOM 0 HA2 GLY A 74 -2.113 2.520 -12.841 1.00 2.12 H new ATOM 0 HA3 GLY A 74 -3.633 1.675 -13.052 1.00 2.12 H new ATOM 1154 N SER A 75 -2.531 2.608 -10.063 1.00 1.26 N ATOM 1155 CA SER A 75 -3.001 3.227 -8.792 1.00 0.71 C ATOM 1156 C SER A 75 -1.795 3.666 -7.960 1.00 0.53 C ATOM 1157 O SER A 75 -0.891 2.896 -7.706 1.00 0.64 O ATOM 1158 CB SER A 75 -3.821 2.204 -8.005 1.00 0.44 C ATOM 1159 OG SER A 75 -5.067 2.000 -8.658 1.00 2.78 O ATOM 0 H SER A 75 -1.558 2.303 -10.065 1.00 1.26 H new ATOM 0 HA SER A 75 -3.620 4.096 -9.016 1.00 0.71 H new ATOM 0 HB2 SER A 75 -3.277 1.262 -7.932 1.00 0.44 H new ATOM 0 HB3 SER A 75 -3.984 2.557 -6.987 1.00 0.44 H new ATOM 0 HG SER A 75 -5.143 2.615 -9.418 1.00 2.78 H new ATOM 1165 N LEU A 76 -1.774 4.900 -7.532 1.00 0.55 N ATOM 1166 CA LEU A 76 -0.626 5.387 -6.715 1.00 0.39 C ATOM 1167 C LEU A 76 -0.420 4.451 -5.523 1.00 0.48 C ATOM 1168 O LEU A 76 -1.339 3.794 -5.074 1.00 0.90 O ATOM 1169 CB LEU A 76 -0.921 6.800 -6.208 1.00 0.26 C ATOM 1170 CG LEU A 76 0.360 7.634 -6.240 1.00 0.25 C ATOM 1171 CD1 LEU A 76 0.315 8.586 -7.437 1.00 1.34 C ATOM 1172 CD2 LEU A 76 0.472 8.444 -4.946 1.00 1.09 C ATOM 0 H LEU A 76 -2.502 5.591 -7.713 1.00 0.55 H new ATOM 0 HA LEU A 76 0.275 5.403 -7.328 1.00 0.39 H new ATOM 0 HB2 LEU A 76 -1.687 7.267 -6.827 1.00 0.26 H new ATOM 0 HB3 LEU A 76 -1.314 6.758 -5.192 1.00 0.26 H new ATOM 0 HG LEU A 76 1.224 6.975 -6.331 1.00 0.25 H new ATOM 0 HD11 LEU A 76 1.227 9.182 -7.462 1.00 1.34 H new ATOM 0 HD12 LEU A 76 0.233 8.009 -8.358 1.00 1.34 H new ATOM 0 HD13 LEU A 76 -0.547 9.246 -7.345 1.00 1.34 H new ATOM 0 HD21 LEU A 76 1.385 9.039 -4.967 1.00 1.09 H new ATOM 0 HD22 LEU A 76 -0.390 9.105 -4.855 1.00 1.09 H new ATOM 0 HD23 LEU A 76 0.501 7.766 -4.093 1.00 1.09 H new ATOM 1184 N MET A 77 0.776 4.385 -5.004 1.00 0.37 N ATOM 1185 CA MET A 77 1.034 3.490 -3.841 1.00 0.70 C ATOM 1186 C MET A 77 2.310 3.937 -3.127 1.00 0.95 C ATOM 1187 O MET A 77 3.388 3.914 -3.689 1.00 1.72 O ATOM 1188 CB MET A 77 1.210 2.050 -4.329 1.00 1.16 C ATOM 1189 CG MET A 77 -0.097 1.552 -4.948 1.00 2.86 C ATOM 1190 SD MET A 77 0.070 -0.198 -5.380 1.00 3.76 S ATOM 1191 CE MET A 77 -1.059 -0.854 -4.127 1.00 3.14 C ATOM 0 H MET A 77 1.584 4.912 -5.335 1.00 0.37 H new ATOM 0 HA MET A 77 0.190 3.542 -3.153 1.00 0.70 H new ATOM 0 HB2 MET A 77 2.014 2.000 -5.064 1.00 1.16 H new ATOM 0 HB3 MET A 77 1.498 1.407 -3.498 1.00 1.16 H new ATOM 0 HG2 MET A 77 -0.920 1.688 -4.246 1.00 2.86 H new ATOM 0 HG3 MET A 77 -0.337 2.136 -5.837 1.00 2.86 H new ATOM 0 HE1 MET A 77 -1.108 -1.939 -4.214 1.00 3.14 H new ATOM 0 HE2 MET A 77 -0.697 -0.585 -3.135 1.00 3.14 H new ATOM 0 HE3 MET A 77 -2.053 -0.433 -4.277 1.00 3.14 H new ATOM 1201 N ILE A 78 2.199 4.338 -1.893 1.00 0.70 N ATOM 1202 CA ILE A 78 3.406 4.781 -1.142 1.00 0.82 C ATOM 1203 C ILE A 78 4.424 3.638 -1.087 1.00 0.88 C ATOM 1204 O ILE A 78 4.089 2.509 -0.788 1.00 0.91 O ATOM 1205 CB ILE A 78 3.015 5.141 0.285 1.00 0.84 C ATOM 1206 CG1 ILE A 78 1.973 6.263 0.273 1.00 0.75 C ATOM 1207 CG2 ILE A 78 4.257 5.593 1.055 1.00 1.05 C ATOM 1208 CD1 ILE A 78 0.839 5.916 1.242 1.00 1.52 C ATOM 0 H ILE A 78 1.324 4.378 -1.371 1.00 0.70 H new ATOM 0 HA ILE A 78 3.838 5.647 -1.644 1.00 0.82 H new ATOM 0 HB ILE A 78 2.586 4.266 0.773 1.00 0.84 H new ATOM 0 HG12 ILE A 78 2.436 7.207 0.561 1.00 0.75 H new ATOM 0 HG13 ILE A 78 1.578 6.396 -0.734 1.00 0.75 H new ATOM 0 HG21 ILE A 78 3.978 5.851 2.077 1.00 1.05 H new ATOM 0 HG22 ILE A 78 4.989 4.785 1.072 1.00 1.05 H new ATOM 0 HG23 ILE A 78 4.691 6.465 0.566 1.00 1.05 H new ATOM 0 HD11 ILE A 78 0.097 6.714 1.234 1.00 1.52 H new ATOM 0 HD12 ILE A 78 0.370 4.981 0.934 1.00 1.52 H new ATOM 0 HD13 ILE A 78 1.242 5.805 2.249 1.00 1.52 H new ATOM 1220 N ASP A 79 5.666 3.927 -1.347 1.00 0.83 N ATOM 1221 CA ASP A 79 6.714 2.867 -1.283 1.00 1.04 C ATOM 1222 C ASP A 79 7.499 3.046 0.018 1.00 1.10 C ATOM 1223 O ASP A 79 8.128 2.136 0.519 1.00 1.65 O ATOM 1224 CB ASP A 79 7.658 3.000 -2.479 1.00 1.46 C ATOM 1225 CG ASP A 79 8.526 1.744 -2.585 1.00 2.08 C ATOM 1226 OD1 ASP A 79 7.974 0.659 -2.510 1.00 2.41 O ATOM 1227 OD2 ASP A 79 9.727 1.889 -2.742 1.00 2.36 O ATOM 0 H ASP A 79 6.005 4.855 -1.602 1.00 0.83 H new ATOM 0 HA ASP A 79 6.252 1.880 -1.310 1.00 1.04 H new ATOM 0 HB2 ASP A 79 7.084 3.137 -3.396 1.00 1.46 H new ATOM 0 HB3 ASP A 79 8.288 3.882 -2.363 1.00 1.46 H new ATOM 1232 N ARG A 80 7.442 4.225 0.564 1.00 1.02 N ATOM 1233 CA ARG A 80 8.148 4.527 1.837 1.00 0.97 C ATOM 1234 C ARG A 80 7.981 6.015 2.105 1.00 0.94 C ATOM 1235 O ARG A 80 8.906 6.796 2.009 1.00 0.95 O ATOM 1236 CB ARG A 80 9.631 4.171 1.725 1.00 1.41 C ATOM 1237 CG ARG A 80 10.353 4.598 3.005 1.00 0.94 C ATOM 1238 CD ARG A 80 10.890 3.362 3.730 1.00 0.48 C ATOM 1239 NE ARG A 80 12.372 3.300 3.578 1.00 0.24 N ATOM 1240 CZ ARG A 80 13.080 2.516 4.347 1.00 1.07 C ATOM 1241 NH1 ARG A 80 12.494 1.784 5.257 1.00 1.75 N ATOM 1242 NH2 ARG A 80 14.376 2.464 4.207 1.00 1.34 N ATOM 0 H ARG A 80 6.923 5.011 0.172 1.00 1.02 H new ATOM 0 HA ARG A 80 7.730 3.939 2.654 1.00 0.97 H new ATOM 0 HB2 ARG A 80 9.748 3.099 1.568 1.00 1.41 H new ATOM 0 HB3 ARG A 80 10.072 4.669 0.862 1.00 1.41 H new ATOM 0 HG2 ARG A 80 11.173 5.275 2.763 1.00 0.94 H new ATOM 0 HG3 ARG A 80 9.669 5.144 3.655 1.00 0.94 H new ATOM 0 HD2 ARG A 80 10.624 3.403 4.786 1.00 0.48 H new ATOM 0 HD3 ARG A 80 10.434 2.461 3.321 1.00 0.48 H new ATOM 0 HE ARG A 80 12.835 3.872 2.871 1.00 0.24 H new ATOM 0 HH11 ARG A 80 11.481 1.824 5.369 1.00 1.75 H new ATOM 0 HH12 ARG A 80 13.050 1.173 5.856 1.00 1.75 H new ATOM 0 HH21 ARG A 80 14.836 3.035 3.498 1.00 1.34 H new ATOM 0 HH22 ARG A 80 14.930 1.852 4.807 1.00 1.34 H new ATOM 1256 N LEU A 81 6.777 6.392 2.406 1.00 1.67 N ATOM 1257 CA LEU A 81 6.435 7.815 2.657 1.00 1.81 C ATOM 1258 C LEU A 81 7.612 8.584 3.272 1.00 1.52 C ATOM 1259 O LEU A 81 8.100 8.258 4.336 1.00 1.66 O ATOM 1260 CB LEU A 81 5.207 7.859 3.569 1.00 2.41 C ATOM 1261 CG LEU A 81 5.626 7.973 5.031 1.00 1.39 C ATOM 1262 CD1 LEU A 81 4.375 8.116 5.901 1.00 1.92 C ATOM 1263 CD2 LEU A 81 6.387 6.705 5.434 1.00 3.62 C ATOM 0 H LEU A 81 5.988 5.751 2.492 1.00 1.67 H new ATOM 0 HA LEU A 81 6.212 8.305 1.709 1.00 1.81 H new ATOM 0 HB2 LEU A 81 4.577 8.707 3.299 1.00 2.41 H new ATOM 0 HB3 LEU A 81 4.609 6.959 3.426 1.00 2.41 H new ATOM 0 HG LEU A 81 6.267 8.844 5.168 1.00 1.39 H new ATOM 0 HD11 LEU A 81 4.667 8.198 6.948 1.00 1.92 H new ATOM 0 HD12 LEU A 81 3.827 9.011 5.606 1.00 1.92 H new ATOM 0 HD13 LEU A 81 3.738 7.241 5.770 1.00 1.92 H new ATOM 0 HD21 LEU A 81 6.690 6.779 6.478 1.00 3.62 H new ATOM 0 HD22 LEU A 81 5.741 5.836 5.304 1.00 3.62 H new ATOM 0 HD23 LEU A 81 7.272 6.597 4.806 1.00 3.62 H new ATOM 1275 N ARG A 82 8.049 9.622 2.610 1.00 1.17 N ATOM 1276 CA ARG A 82 9.168 10.439 3.153 1.00 0.88 C ATOM 1277 C ARG A 82 8.567 11.555 4.007 1.00 1.10 C ATOM 1278 O ARG A 82 8.015 12.511 3.497 1.00 0.66 O ATOM 1279 CB ARG A 82 9.972 11.046 2.000 1.00 0.59 C ATOM 1280 CG ARG A 82 11.464 10.798 2.231 1.00 1.53 C ATOM 1281 CD ARG A 82 12.255 11.241 0.998 1.00 2.21 C ATOM 1282 NE ARG A 82 13.380 12.122 1.420 1.00 4.48 N ATOM 1283 CZ ARG A 82 14.362 12.374 0.595 1.00 6.20 C ATOM 1284 NH1 ARG A 82 14.364 11.854 -0.603 1.00 6.31 N ATOM 1285 NH2 ARG A 82 15.343 13.148 0.970 1.00 8.07 N ATOM 0 H ARG A 82 7.677 9.938 1.715 1.00 1.17 H new ATOM 0 HA ARG A 82 9.834 9.819 3.753 1.00 0.88 H new ATOM 0 HB2 ARG A 82 9.661 10.603 1.054 1.00 0.59 H new ATOM 0 HB3 ARG A 82 9.777 12.116 1.931 1.00 0.59 H new ATOM 0 HG2 ARG A 82 11.803 11.347 3.109 1.00 1.53 H new ATOM 0 HG3 ARG A 82 11.641 9.741 2.429 1.00 1.53 H new ATOM 0 HD2 ARG A 82 12.640 10.370 0.468 1.00 2.21 H new ATOM 0 HD3 ARG A 82 11.602 11.773 0.306 1.00 2.21 H new ATOM 0 HE ARG A 82 13.384 12.530 2.355 1.00 4.48 H new ATOM 0 HH11 ARG A 82 13.597 11.249 -0.898 1.00 6.31 H new ATOM 0 HH12 ARG A 82 15.132 12.053 -1.244 1.00 6.31 H new ATOM 0 HH21 ARG A 82 15.343 13.555 1.905 1.00 8.07 H new ATOM 0 HH22 ARG A 82 16.110 13.346 0.328 1.00 8.07 H new ATOM 1299 N LEU A 83 8.639 11.427 5.301 1.00 1.97 N ATOM 1300 CA LEU A 83 8.040 12.467 6.185 1.00 2.35 C ATOM 1301 C LEU A 83 8.883 13.739 6.186 1.00 2.45 C ATOM 1302 O LEU A 83 10.089 13.709 6.045 1.00 2.39 O ATOM 1303 CB LEU A 83 7.945 11.944 7.616 1.00 2.69 C ATOM 1304 CG LEU A 83 6.505 12.057 8.112 1.00 2.25 C ATOM 1305 CD1 LEU A 83 6.467 11.772 9.616 1.00 2.42 C ATOM 1306 CD2 LEU A 83 5.993 13.476 7.850 1.00 1.47 C ATOM 0 H LEU A 83 9.086 10.649 5.786 1.00 1.97 H new ATOM 0 HA LEU A 83 7.046 12.697 5.801 1.00 2.35 H new ATOM 0 HB2 LEU A 83 8.273 10.905 7.656 1.00 2.69 H new ATOM 0 HB3 LEU A 83 8.609 12.513 8.266 1.00 2.69 H new ATOM 0 HG LEU A 83 5.876 11.338 7.588 1.00 2.25 H new ATOM 0 HD11 LEU A 83 5.441 11.851 9.976 1.00 2.42 H new ATOM 0 HD12 LEU A 83 6.841 10.766 9.805 1.00 2.42 H new ATOM 0 HD13 LEU A 83 7.092 12.496 10.139 1.00 2.42 H new ATOM 0 HD21 LEU A 83 4.965 13.563 8.202 1.00 1.47 H new ATOM 0 HD22 LEU A 83 6.620 14.193 8.380 1.00 1.47 H new ATOM 0 HD23 LEU A 83 6.029 13.684 6.781 1.00 1.47 H new ATOM 1318 N VAL A 84 8.238 14.857 6.355 1.00 2.65 N ATOM 1319 CA VAL A 84 8.949 16.151 6.385 1.00 2.74 C ATOM 1320 C VAL A 84 8.176 17.091 7.317 1.00 2.86 C ATOM 1321 O VAL A 84 6.995 16.913 7.511 1.00 2.84 O ATOM 1322 CB VAL A 84 8.967 16.721 4.968 1.00 2.61 C ATOM 1323 CG1 VAL A 84 9.642 15.724 4.025 1.00 2.85 C ATOM 1324 CG2 VAL A 84 7.529 16.972 4.502 1.00 2.32 C ATOM 0 H VAL A 84 7.227 14.924 6.476 1.00 2.65 H new ATOM 0 HA VAL A 84 9.972 16.035 6.742 1.00 2.74 H new ATOM 0 HB VAL A 84 9.521 17.659 4.960 1.00 2.61 H new ATOM 0 HG11 VAL A 84 9.655 16.131 3.014 1.00 2.85 H new ATOM 0 HG12 VAL A 84 10.665 15.544 4.357 1.00 2.85 H new ATOM 0 HG13 VAL A 84 9.088 14.785 4.031 1.00 2.85 H new ATOM 0 HG21 VAL A 84 7.540 17.379 3.491 1.00 2.32 H new ATOM 0 HG22 VAL A 84 6.975 16.033 4.509 1.00 2.32 H new ATOM 0 HG23 VAL A 84 7.048 17.683 5.174 1.00 2.32 H new ATOM 1334 N PRO A 85 8.849 18.072 7.854 1.00 2.86 N ATOM 1335 CA PRO A 85 8.216 19.055 8.750 1.00 2.80 C ATOM 1336 C PRO A 85 7.125 19.841 8.006 1.00 2.80 C ATOM 1337 O PRO A 85 7.213 20.066 6.815 1.00 2.78 O ATOM 1338 CB PRO A 85 9.379 19.935 9.209 1.00 2.70 C ATOM 1339 CG PRO A 85 10.494 19.724 8.173 1.00 2.70 C ATOM 1340 CD PRO A 85 10.277 18.308 7.615 1.00 2.81 C ATOM 0 HA PRO A 85 7.701 18.605 9.599 1.00 2.80 H new ATOM 0 HB2 PRO A 85 9.082 20.983 9.257 1.00 2.70 H new ATOM 0 HB3 PRO A 85 9.713 19.653 10.207 1.00 2.70 H new ATOM 0 HG2 PRO A 85 10.439 20.470 7.380 1.00 2.70 H new ATOM 0 HG3 PRO A 85 11.478 19.818 8.632 1.00 2.70 H new ATOM 0 HD2 PRO A 85 10.523 18.250 6.555 1.00 2.81 H new ATOM 0 HD3 PRO A 85 10.898 17.573 8.127 1.00 2.81 H new ATOM 1348 N ALA A 86 6.086 20.241 8.697 1.00 2.72 N ATOM 1349 CA ALA A 86 4.978 20.989 8.033 1.00 2.48 C ATOM 1350 C ALA A 86 5.304 22.483 8.029 1.00 2.12 C ATOM 1351 O ALA A 86 5.653 23.053 9.044 1.00 3.05 O ATOM 1352 CB ALA A 86 3.678 20.758 8.808 1.00 3.64 C ATOM 0 H ALA A 86 5.959 20.080 9.696 1.00 2.72 H new ATOM 0 HA ALA A 86 4.863 20.638 7.008 1.00 2.48 H new ATOM 0 HB1 ALA A 86 2.866 21.303 8.327 1.00 3.64 H new ATOM 0 HB2 ALA A 86 3.445 19.693 8.818 1.00 3.64 H new ATOM 0 HB3 ALA A 86 3.797 21.114 9.832 1.00 3.64 H new ATOM 1358 N LYS A 87 5.192 23.123 6.900 1.00 2.61 N ATOM 1359 CA LYS A 87 5.494 24.580 6.840 1.00 2.14 C ATOM 1360 C LYS A 87 4.187 25.370 6.752 1.00 4.16 C ATOM 1361 O LYS A 87 4.246 26.586 6.834 1.00 4.79 O ATOM 1362 CB LYS A 87 6.350 24.874 5.608 1.00 2.40 C ATOM 1363 CG LYS A 87 5.538 24.592 4.343 1.00 4.60 C ATOM 1364 CD LYS A 87 6.287 23.585 3.469 1.00 6.28 C ATOM 1365 CE LYS A 87 7.430 24.293 2.740 1.00 8.05 C ATOM 1366 NZ LYS A 87 8.711 23.581 3.012 1.00 8.95 N ATOM 1367 OXT LYS A 87 3.148 24.746 6.606 1.00 5.73 O ATOM 0 H LYS A 87 4.905 22.701 6.017 1.00 2.61 H new ATOM 0 HA LYS A 87 6.037 24.874 7.738 1.00 2.14 H new ATOM 0 HB2 LYS A 87 6.677 25.914 5.619 1.00 2.40 H new ATOM 0 HB3 LYS A 87 7.249 24.257 5.621 1.00 2.40 H new ATOM 0 HG2 LYS A 87 4.556 24.200 4.608 1.00 4.60 H new ATOM 0 HG3 LYS A 87 5.373 25.517 3.790 1.00 4.60 H new ATOM 0 HD2 LYS A 87 6.680 22.775 4.084 1.00 6.28 H new ATOM 0 HD3 LYS A 87 5.605 23.135 2.748 1.00 6.28 H new ATOM 0 HE2 LYS A 87 7.234 24.314 1.668 1.00 8.05 H new ATOM 0 HE3 LYS A 87 7.500 25.329 3.071 1.00 8.05 H new ATOM 0 HZ1 LYS A 87 9.488 24.063 2.516 1.00 8.95 H new ATOM 0 HZ2 LYS A 87 8.899 23.583 4.035 1.00 8.95 H new ATOM 0 HZ3 LYS A 87 8.641 22.600 2.675 1.00 8.95 H new TER 1381 LYS A 87 ATOM 1382 N MET B 1 2.811 17.887 -2.703 1.00 3.63 N ATOM 1383 CA MET B 1 1.448 17.671 -3.267 1.00 1.68 C ATOM 1384 C MET B 1 1.523 16.642 -4.395 1.00 1.67 C ATOM 1385 O MET B 1 2.257 16.802 -5.350 1.00 1.65 O ATOM 1386 CB MET B 1 0.906 18.998 -3.810 1.00 2.24 C ATOM 1387 CG MET B 1 -0.277 18.741 -4.751 1.00 4.58 C ATOM 1388 SD MET B 1 -0.828 20.316 -5.453 1.00 6.89 S ATOM 1389 CE MET B 1 -1.169 21.158 -3.887 1.00 6.92 C ATOM 0 H1 MET B 1 2.762 18.587 -1.935 1.00 3.63 H new ATOM 0 H2 MET B 1 3.179 16.989 -2.330 1.00 3.63 H new ATOM 0 H3 MET B 1 3.444 18.236 -3.450 1.00 3.63 H new ATOM 0 HA MET B 1 0.782 17.302 -2.487 1.00 1.68 H new ATOM 0 HB2 MET B 1 0.591 19.636 -2.984 1.00 2.24 H new ATOM 0 HB3 MET B 1 1.694 19.531 -4.342 1.00 2.24 H new ATOM 0 HG2 MET B 1 0.017 18.057 -5.547 1.00 4.58 H new ATOM 0 HG3 MET B 1 -1.093 18.265 -4.208 1.00 4.58 H new ATOM 0 HE1 MET B 1 -1.896 21.953 -4.052 1.00 6.92 H new ATOM 0 HE2 MET B 1 -1.570 20.443 -3.169 1.00 6.92 H new ATOM 0 HE3 MET B 1 -0.246 21.586 -3.496 1.00 6.92 H new ATOM 1401 N ILE B 2 0.761 15.590 -4.295 1.00 1.76 N ATOM 1402 CA ILE B 2 0.777 14.553 -5.362 1.00 1.92 C ATOM 1403 C ILE B 2 -0.030 15.082 -6.548 1.00 1.97 C ATOM 1404 O ILE B 2 -1.191 14.771 -6.715 1.00 2.57 O ATOM 1405 CB ILE B 2 0.152 13.263 -4.834 1.00 1.73 C ATOM 1406 CG1 ILE B 2 0.618 13.004 -3.401 1.00 1.53 C ATOM 1407 CG2 ILE B 2 0.585 12.092 -5.711 1.00 2.17 C ATOM 1408 CD1 ILE B 2 -0.543 12.436 -2.597 1.00 2.21 C ATOM 0 H ILE B 2 0.126 15.403 -3.519 1.00 1.76 H new ATOM 0 HA ILE B 2 1.800 14.339 -5.672 1.00 1.92 H new ATOM 0 HB ILE B 2 -0.933 13.364 -4.852 1.00 1.73 H new ATOM 0 HG12 ILE B 2 1.455 12.306 -3.398 1.00 1.53 H new ATOM 0 HG13 ILE B 2 0.973 13.929 -2.947 1.00 1.53 H new ATOM 0 HG21 ILE B 2 0.139 11.171 -5.335 1.00 2.17 H new ATOM 0 HG22 ILE B 2 0.254 12.263 -6.735 1.00 2.17 H new ATOM 0 HG23 ILE B 2 1.671 12.004 -5.690 1.00 2.17 H new ATOM 0 HD11 ILE B 2 -0.219 12.248 -1.573 1.00 2.21 H new ATOM 0 HD12 ILE B 2 -1.366 13.151 -2.592 1.00 2.21 H new ATOM 0 HD13 ILE B 2 -0.876 11.502 -3.049 1.00 2.21 H new ATOM 1420 N LYS B 3 0.579 15.909 -7.350 1.00 1.50 N ATOM 1421 CA LYS B 3 -0.137 16.514 -8.512 1.00 1.37 C ATOM 1422 C LYS B 3 -0.561 15.453 -9.529 1.00 1.24 C ATOM 1423 O LYS B 3 -0.275 14.280 -9.392 1.00 1.56 O ATOM 1424 CB LYS B 3 0.784 17.525 -9.197 1.00 1.30 C ATOM 1425 CG LYS B 3 0.483 18.930 -8.671 1.00 2.35 C ATOM 1426 CD LYS B 3 1.486 19.923 -9.261 1.00 2.43 C ATOM 1427 CE LYS B 3 0.863 21.320 -9.297 1.00 2.83 C ATOM 1428 NZ LYS B 3 1.849 22.290 -9.852 1.00 2.66 N ATOM 0 H LYS B 3 1.553 16.196 -7.251 1.00 1.50 H new ATOM 0 HA LYS B 3 -1.036 17.003 -8.138 1.00 1.37 H new ATOM 0 HB2 LYS B 3 1.827 17.270 -9.007 1.00 1.30 H new ATOM 0 HB3 LYS B 3 0.639 17.491 -10.277 1.00 1.30 H new ATOM 0 HG2 LYS B 3 -0.533 19.220 -8.940 1.00 2.35 H new ATOM 0 HG3 LYS B 3 0.541 18.942 -7.583 1.00 2.35 H new ATOM 0 HD2 LYS B 3 2.397 19.935 -8.662 1.00 2.43 H new ATOM 0 HD3 LYS B 3 1.770 19.614 -10.267 1.00 2.43 H new ATOM 0 HE2 LYS B 3 -0.039 21.312 -9.909 1.00 2.83 H new ATOM 0 HE3 LYS B 3 0.565 21.623 -8.293 1.00 2.83 H new ATOM 0 HZ1 LYS B 3 1.426 23.240 -9.877 1.00 2.66 H new ATOM 0 HZ2 LYS B 3 2.698 22.305 -9.251 1.00 2.66 H new ATOM 0 HZ3 LYS B 3 2.113 22.004 -10.816 1.00 2.66 H new ATOM 1442 N VAL B 4 -1.247 15.883 -10.556 1.00 1.62 N ATOM 1443 CA VAL B 4 -1.715 14.947 -11.618 1.00 1.92 C ATOM 1444 C VAL B 4 -2.639 15.702 -12.566 1.00 1.61 C ATOM 1445 O VAL B 4 -3.313 16.630 -12.185 1.00 1.50 O ATOM 1446 CB VAL B 4 -2.470 13.771 -10.988 1.00 2.37 C ATOM 1447 CG1 VAL B 4 -3.438 14.299 -9.936 1.00 1.54 C ATOM 1448 CG2 VAL B 4 -3.256 12.994 -12.055 1.00 3.97 C ATOM 0 H VAL B 4 -1.506 16.858 -10.705 1.00 1.62 H new ATOM 0 HA VAL B 4 -0.857 14.558 -12.166 1.00 1.92 H new ATOM 0 HB VAL B 4 -1.746 13.098 -10.528 1.00 2.37 H new ATOM 0 HG11 VAL B 4 -3.977 13.465 -9.486 1.00 1.54 H new ATOM 0 HG12 VAL B 4 -2.882 14.831 -9.164 1.00 1.54 H new ATOM 0 HG13 VAL B 4 -4.149 14.979 -10.405 1.00 1.54 H new ATOM 0 HG21 VAL B 4 -3.784 12.164 -11.585 1.00 3.97 H new ATOM 0 HG22 VAL B 4 -3.976 13.659 -12.532 1.00 3.97 H new ATOM 0 HG23 VAL B 4 -2.566 12.607 -12.805 1.00 3.97 H new ATOM 1458 N GLU B 5 -2.666 15.313 -13.798 1.00 1.48 N ATOM 1459 CA GLU B 5 -3.542 16.008 -14.785 1.00 1.19 C ATOM 1460 C GLU B 5 -4.480 15.003 -15.439 1.00 1.10 C ATOM 1461 O GLU B 5 -4.064 14.134 -16.173 1.00 1.48 O ATOM 1462 CB GLU B 5 -2.675 16.663 -15.861 1.00 1.17 C ATOM 1463 CG GLU B 5 -2.255 18.058 -15.399 1.00 2.01 C ATOM 1464 CD GLU B 5 -1.172 18.602 -16.333 1.00 2.33 C ATOM 1465 OE1 GLU B 5 -0.490 17.798 -16.947 1.00 3.84 O ATOM 1466 OE2 GLU B 5 -1.043 19.812 -16.418 1.00 2.02 O ATOM 0 H GLU B 5 -2.119 14.539 -14.175 1.00 1.48 H new ATOM 0 HA GLU B 5 -4.129 16.769 -14.271 1.00 1.19 H new ATOM 0 HB2 GLU B 5 -1.793 16.052 -16.054 1.00 1.17 H new ATOM 0 HB3 GLU B 5 -3.228 16.730 -16.798 1.00 1.17 H new ATOM 0 HG2 GLU B 5 -3.116 18.726 -15.396 1.00 2.01 H new ATOM 0 HG3 GLU B 5 -1.880 18.016 -14.376 1.00 2.01 H new ATOM 1473 N ILE B 6 -5.749 15.123 -15.195 1.00 0.87 N ATOM 1474 CA ILE B 6 -6.697 14.171 -15.836 1.00 0.83 C ATOM 1475 C ILE B 6 -6.809 14.550 -17.323 1.00 0.95 C ATOM 1476 O ILE B 6 -7.484 15.494 -17.685 1.00 1.08 O ATOM 1477 CB ILE B 6 -8.066 14.221 -15.115 1.00 0.91 C ATOM 1478 CG1 ILE B 6 -8.145 13.053 -14.128 1.00 1.47 C ATOM 1479 CG2 ILE B 6 -9.217 14.094 -16.111 1.00 0.68 C ATOM 1480 CD1 ILE B 6 -8.111 13.580 -12.694 1.00 1.28 C ATOM 0 H ILE B 6 -6.170 15.827 -14.589 1.00 0.87 H new ATOM 0 HA ILE B 6 -6.339 13.144 -15.758 1.00 0.83 H new ATOM 0 HB ILE B 6 -8.152 15.178 -14.600 1.00 0.91 H new ATOM 0 HG12 ILE B 6 -9.061 12.486 -14.295 1.00 1.47 H new ATOM 0 HG13 ILE B 6 -7.312 12.369 -14.293 1.00 1.47 H new ATOM 0 HG21 ILE B 6 -10.166 14.132 -15.577 1.00 0.68 H new ATOM 0 HG22 ILE B 6 -9.170 14.914 -16.827 1.00 0.68 H new ATOM 0 HG23 ILE B 6 -9.137 13.145 -16.641 1.00 0.68 H new ATOM 0 HD11 ILE B 6 -8.168 12.743 -11.997 1.00 1.28 H new ATOM 0 HD12 ILE B 6 -7.183 14.127 -12.529 1.00 1.28 H new ATOM 0 HD13 ILE B 6 -8.958 14.246 -12.531 1.00 1.28 H new ATOM 1492 N LYS B 7 -6.131 13.825 -18.182 1.00 1.07 N ATOM 1493 CA LYS B 7 -6.169 14.139 -19.637 1.00 1.28 C ATOM 1494 C LYS B 7 -7.607 14.434 -20.072 1.00 0.86 C ATOM 1495 O LYS B 7 -8.537 14.218 -19.321 1.00 0.55 O ATOM 1496 CB LYS B 7 -5.626 12.933 -20.410 1.00 1.63 C ATOM 1497 CG LYS B 7 -4.171 13.183 -20.834 1.00 1.86 C ATOM 1498 CD LYS B 7 -3.390 13.872 -19.709 1.00 2.37 C ATOM 1499 CE LYS B 7 -2.980 15.273 -20.157 1.00 1.08 C ATOM 1500 NZ LYS B 7 -3.818 16.290 -19.462 1.00 2.41 N ATOM 0 H LYS B 7 -5.551 13.025 -17.931 1.00 1.07 H new ATOM 0 HA LYS B 7 -5.559 15.018 -19.843 1.00 1.28 H new ATOM 0 HB2 LYS B 7 -5.683 12.039 -19.789 1.00 1.63 H new ATOM 0 HB3 LYS B 7 -6.242 12.749 -21.290 1.00 1.63 H new ATOM 0 HG2 LYS B 7 -3.693 12.237 -21.089 1.00 1.86 H new ATOM 0 HG3 LYS B 7 -4.149 13.802 -21.731 1.00 1.86 H new ATOM 0 HD2 LYS B 7 -4.003 13.931 -18.810 1.00 2.37 H new ATOM 0 HD3 LYS B 7 -2.506 13.287 -19.454 1.00 2.37 H new ATOM 0 HE2 LYS B 7 -1.927 15.442 -19.934 1.00 1.08 H new ATOM 0 HE3 LYS B 7 -3.097 15.368 -21.237 1.00 1.08 H new ATOM 0 HZ1 LYS B 7 -3.210 17.054 -19.103 1.00 2.41 H new ATOM 0 HZ2 LYS B 7 -4.511 16.684 -20.130 1.00 2.41 H new ATOM 0 HZ3 LYS B 7 -4.319 15.843 -18.668 1.00 2.41 H new ATOM 1514 N PRO B 8 -7.744 14.921 -21.281 1.00 1.19 N ATOM 1515 CA PRO B 8 -9.059 15.258 -21.852 1.00 0.72 C ATOM 1516 C PRO B 8 -9.799 13.980 -22.236 1.00 0.33 C ATOM 1517 O PRO B 8 -11.012 13.936 -22.280 1.00 0.27 O ATOM 1518 CB PRO B 8 -8.715 16.103 -23.082 1.00 0.82 C ATOM 1519 CG PRO B 8 -7.259 15.745 -23.462 1.00 2.71 C ATOM 1520 CD PRO B 8 -6.606 15.169 -22.191 1.00 2.26 C ATOM 0 HA PRO B 8 -9.713 15.790 -21.162 1.00 0.72 H new ATOM 0 HB2 PRO B 8 -9.396 15.887 -23.905 1.00 0.82 H new ATOM 0 HB3 PRO B 8 -8.809 17.166 -22.862 1.00 0.82 H new ATOM 0 HG2 PRO B 8 -7.237 15.018 -24.273 1.00 2.71 H new ATOM 0 HG3 PRO B 8 -6.721 16.627 -23.810 1.00 2.71 H new ATOM 0 HD2 PRO B 8 -6.059 14.251 -22.405 1.00 2.26 H new ATOM 0 HD3 PRO B 8 -5.894 15.870 -21.756 1.00 2.26 H new ATOM 1528 N SER B 9 -9.069 12.936 -22.494 1.00 0.55 N ATOM 1529 CA SER B 9 -9.712 11.645 -22.854 1.00 0.81 C ATOM 1530 C SER B 9 -9.966 10.843 -21.575 1.00 0.77 C ATOM 1531 O SER B 9 -10.493 9.749 -21.610 1.00 1.14 O ATOM 1532 CB SER B 9 -8.789 10.854 -23.781 1.00 1.14 C ATOM 1533 OG SER B 9 -9.313 10.884 -25.102 1.00 3.45 O ATOM 0 H SER B 9 -8.049 12.920 -22.471 1.00 0.55 H new ATOM 0 HA SER B 9 -10.656 11.833 -23.365 1.00 0.81 H new ATOM 0 HB2 SER B 9 -7.786 11.281 -23.765 1.00 1.14 H new ATOM 0 HB3 SER B 9 -8.703 9.824 -23.435 1.00 1.14 H new ATOM 0 HG SER B 9 -8.723 10.379 -25.700 1.00 3.45 H new ATOM 1539 N GLN B 10 -9.596 11.383 -20.444 1.00 0.44 N ATOM 1540 CA GLN B 10 -9.815 10.661 -19.162 1.00 0.51 C ATOM 1541 C GLN B 10 -10.747 11.485 -18.272 1.00 0.78 C ATOM 1542 O GLN B 10 -10.566 11.562 -17.074 1.00 1.18 O ATOM 1543 CB GLN B 10 -8.480 10.468 -18.446 1.00 0.55 C ATOM 1544 CG GLN B 10 -7.395 10.145 -19.470 1.00 0.52 C ATOM 1545 CD GLN B 10 -7.525 8.686 -19.914 1.00 3.06 C ATOM 1546 OE1 GLN B 10 -8.619 8.168 -20.026 1.00 4.40 O ATOM 1547 NE2 GLN B 10 -6.448 7.997 -20.174 1.00 4.63 N ATOM 0 H GLN B 10 -9.150 12.296 -20.355 1.00 0.44 H new ATOM 0 HA GLN B 10 -10.262 9.688 -19.367 1.00 0.51 H new ATOM 0 HB2 GLN B 10 -8.217 11.371 -17.894 1.00 0.55 H new ATOM 0 HB3 GLN B 10 -8.559 9.661 -17.718 1.00 0.55 H new ATOM 0 HG2 GLN B 10 -7.485 10.807 -20.331 1.00 0.52 H new ATOM 0 HG3 GLN B 10 -6.410 10.317 -19.037 1.00 0.52 H new ATOM 0 HE21 GLN B 10 -5.530 8.431 -20.080 1.00 4.63 H new ATOM 0 HE22 GLN B 10 -6.524 7.024 -20.471 1.00 4.63 H new ATOM 1556 N ALA B 11 -11.734 12.116 -18.847 1.00 0.87 N ATOM 1557 CA ALA B 11 -12.661 12.947 -18.024 1.00 1.29 C ATOM 1558 C ALA B 11 -13.985 12.211 -17.808 1.00 1.39 C ATOM 1559 O ALA B 11 -14.946 12.776 -17.326 1.00 1.56 O ATOM 1560 CB ALA B 11 -12.929 14.272 -18.740 1.00 1.81 C ATOM 0 H ALA B 11 -11.939 12.093 -19.846 1.00 0.87 H new ATOM 0 HA ALA B 11 -12.199 13.136 -17.055 1.00 1.29 H new ATOM 0 HB1 ALA B 11 -13.606 14.880 -18.140 1.00 1.81 H new ATOM 0 HB2 ALA B 11 -11.989 14.806 -18.880 1.00 1.81 H new ATOM 0 HB3 ALA B 11 -13.383 14.075 -19.711 1.00 1.81 H new ATOM 1566 N GLN B 12 -14.048 10.958 -18.157 1.00 1.46 N ATOM 1567 CA GLN B 12 -15.315 10.200 -17.965 1.00 1.60 C ATOM 1568 C GLN B 12 -15.015 8.815 -17.396 1.00 1.53 C ATOM 1569 O GLN B 12 -14.110 8.133 -17.835 1.00 1.38 O ATOM 1570 CB GLN B 12 -16.029 10.054 -19.305 1.00 1.78 C ATOM 1571 CG GLN B 12 -16.925 11.268 -19.518 1.00 3.20 C ATOM 1572 CD GLN B 12 -17.655 11.143 -20.857 1.00 3.35 C ATOM 1573 OE1 GLN B 12 -17.163 11.588 -21.875 1.00 5.66 O ATOM 1574 NE2 GLN B 12 -18.817 10.550 -20.899 1.00 2.56 N ATOM 0 H GLN B 12 -13.280 10.426 -18.566 1.00 1.46 H new ATOM 0 HA GLN B 12 -15.952 10.743 -17.267 1.00 1.60 H new ATOM 0 HB2 GLN B 12 -15.302 9.975 -20.113 1.00 1.78 H new ATOM 0 HB3 GLN B 12 -16.622 9.140 -19.319 1.00 1.78 H new ATOM 0 HG2 GLN B 12 -17.647 11.346 -18.705 1.00 3.20 H new ATOM 0 HG3 GLN B 12 -16.328 12.180 -19.502 1.00 3.20 H new ATOM 0 HE21 GLN B 12 -19.230 10.176 -20.044 1.00 2.56 H new ATOM 0 HE22 GLN B 12 -19.312 10.460 -21.786 1.00 2.56 H new ATOM 1583 N PHE B 13 -15.772 8.394 -16.421 1.00 1.74 N ATOM 1584 CA PHE B 13 -15.540 7.059 -15.823 1.00 1.74 C ATOM 1585 C PHE B 13 -16.286 6.002 -16.631 1.00 2.04 C ATOM 1586 O PHE B 13 -17.087 6.311 -17.491 1.00 2.26 O ATOM 1587 CB PHE B 13 -16.077 7.060 -14.399 1.00 1.74 C ATOM 1588 CG PHE B 13 -17.503 7.559 -14.429 1.00 2.06 C ATOM 1589 CD1 PHE B 13 -18.542 6.685 -14.765 1.00 2.36 C ATOM 1590 CD2 PHE B 13 -17.784 8.899 -14.132 1.00 2.18 C ATOM 1591 CE1 PHE B 13 -19.861 7.149 -14.802 1.00 2.77 C ATOM 1592 CE2 PHE B 13 -19.103 9.362 -14.168 1.00 2.68 C ATOM 1593 CZ PHE B 13 -20.140 8.487 -14.503 1.00 2.95 C ATOM 0 H PHE B 13 -16.543 8.923 -16.014 1.00 1.74 H new ATOM 0 HA PHE B 13 -14.473 6.836 -15.825 1.00 1.74 H new ATOM 0 HB2 PHE B 13 -16.035 6.056 -13.977 1.00 1.74 H new ATOM 0 HB3 PHE B 13 -15.465 7.699 -13.763 1.00 1.74 H new ATOM 0 HD1 PHE B 13 -18.326 5.652 -14.996 1.00 2.36 H new ATOM 0 HD2 PHE B 13 -16.982 9.575 -13.875 1.00 2.18 H new ATOM 0 HE1 PHE B 13 -20.664 6.475 -15.061 1.00 2.77 H new ATOM 0 HE2 PHE B 13 -19.320 10.394 -13.937 1.00 2.68 H new ATOM 0 HZ PHE B 13 -21.159 8.844 -14.531 1.00 2.95 H new ATOM 1603 N THR B 14 -16.041 4.756 -16.350 1.00 2.19 N ATOM 1604 CA THR B 14 -16.748 3.678 -17.087 1.00 2.49 C ATOM 1605 C THR B 14 -17.190 2.605 -16.094 1.00 2.35 C ATOM 1606 O THR B 14 -16.571 2.403 -15.068 1.00 1.80 O ATOM 1607 CB THR B 14 -15.812 3.058 -18.126 1.00 2.71 C ATOM 1608 OG1 THR B 14 -15.427 4.050 -19.068 1.00 4.44 O ATOM 1609 CG2 THR B 14 -16.533 1.918 -18.844 1.00 3.26 C ATOM 0 H THR B 14 -15.381 4.437 -15.641 1.00 2.19 H new ATOM 0 HA THR B 14 -17.618 4.094 -17.596 1.00 2.49 H new ATOM 0 HB THR B 14 -14.923 2.667 -17.630 1.00 2.71 H new ATOM 0 HG1 THR B 14 -14.826 3.654 -19.733 1.00 4.44 H new ATOM 0 HG21 THR B 14 -15.867 1.475 -19.585 1.00 3.26 H new ATOM 0 HG22 THR B 14 -16.825 1.158 -18.119 1.00 3.26 H new ATOM 0 HG23 THR B 14 -17.422 2.306 -19.341 1.00 3.26 H new ATOM 1617 N THR B 15 -18.256 1.917 -16.386 1.00 2.79 N ATOM 1618 CA THR B 15 -18.734 0.861 -15.454 1.00 2.60 C ATOM 1619 C THR B 15 -18.027 -0.456 -15.773 1.00 2.48 C ATOM 1620 O THR B 15 -18.233 -1.046 -16.815 1.00 2.56 O ATOM 1621 CB THR B 15 -20.244 0.681 -15.615 1.00 2.55 C ATOM 1622 OG1 THR B 15 -20.802 1.859 -16.181 1.00 2.89 O ATOM 1623 CG2 THR B 15 -20.873 0.419 -14.247 1.00 2.75 C ATOM 0 H THR B 15 -18.817 2.040 -17.229 1.00 2.79 H new ATOM 0 HA THR B 15 -18.512 1.155 -14.428 1.00 2.60 H new ATOM 0 HB THR B 15 -20.444 -0.165 -16.272 1.00 2.55 H new ATOM 0 HG1 THR B 15 -21.770 1.745 -16.286 1.00 2.89 H new ATOM 0 HG21 THR B 15 -21.949 0.290 -14.360 1.00 2.75 H new ATOM 0 HG22 THR B 15 -20.443 -0.485 -13.816 1.00 2.75 H new ATOM 0 HG23 THR B 15 -20.676 1.264 -13.588 1.00 2.75 H new ATOM 1631 N ARG B 16 -17.195 -0.921 -14.884 1.00 2.37 N ATOM 1632 CA ARG B 16 -16.475 -2.199 -15.137 1.00 2.41 C ATOM 1633 C ARG B 16 -16.640 -3.122 -13.929 1.00 1.80 C ATOM 1634 O ARG B 16 -16.734 -2.675 -12.803 1.00 1.52 O ATOM 1635 CB ARG B 16 -14.989 -1.912 -15.359 1.00 3.16 C ATOM 1636 CG ARG B 16 -14.725 -1.702 -16.851 1.00 5.40 C ATOM 1637 CD ARG B 16 -14.380 -3.041 -17.503 1.00 5.83 C ATOM 1638 NE ARG B 16 -13.204 -2.869 -18.401 1.00 7.39 N ATOM 1639 CZ ARG B 16 -12.551 -3.913 -18.834 1.00 7.72 C ATOM 1640 NH1 ARG B 16 -12.925 -5.114 -18.481 1.00 6.78 N ATOM 1641 NH2 ARG B 16 -11.521 -3.757 -19.620 1.00 9.22 N ATOM 0 H ARG B 16 -16.983 -0.471 -13.993 1.00 2.37 H new ATOM 0 HA ARG B 16 -16.888 -2.680 -16.023 1.00 2.41 H new ATOM 0 HB2 ARG B 16 -14.692 -1.026 -14.798 1.00 3.16 H new ATOM 0 HB3 ARG B 16 -14.388 -2.742 -14.986 1.00 3.16 H new ATOM 0 HG2 ARG B 16 -15.604 -1.269 -17.329 1.00 5.40 H new ATOM 0 HG3 ARG B 16 -13.906 -0.996 -16.990 1.00 5.40 H new ATOM 0 HD2 ARG B 16 -14.160 -3.784 -16.737 1.00 5.83 H new ATOM 0 HD3 ARG B 16 -15.233 -3.411 -18.071 1.00 5.83 H new ATOM 0 HE ARG B 16 -12.908 -1.933 -18.678 1.00 7.39 H new ATOM 0 HH11 ARG B 16 -13.729 -5.238 -17.866 1.00 6.78 H new ATOM 0 HH12 ARG B 16 -12.413 -5.928 -18.821 1.00 6.78 H new ATOM 0 HH21 ARG B 16 -11.227 -2.820 -19.895 1.00 9.22 H new ATOM 0 HH22 ARG B 16 -11.010 -4.572 -19.959 1.00 9.22 H new ATOM 1655 N SER B 17 -16.678 -4.406 -14.153 1.00 1.68 N ATOM 1656 CA SER B 17 -16.839 -5.353 -13.014 1.00 1.66 C ATOM 1657 C SER B 17 -15.752 -5.085 -11.972 1.00 3.14 C ATOM 1658 O SER B 17 -14.596 -5.401 -12.168 1.00 3.53 O ATOM 1659 CB SER B 17 -16.715 -6.792 -13.520 1.00 2.79 C ATOM 1660 OG SER B 17 -17.918 -7.494 -13.237 1.00 3.09 O ATOM 0 H SER B 17 -16.605 -4.840 -15.073 1.00 1.68 H new ATOM 0 HA SER B 17 -17.821 -5.212 -12.562 1.00 1.66 H new ATOM 0 HB2 SER B 17 -16.521 -6.797 -14.593 1.00 2.79 H new ATOM 0 HB3 SER B 17 -15.870 -7.287 -13.041 1.00 2.79 H new ATOM 0 HG SER B 17 -17.843 -8.416 -13.561 1.00 3.09 H new ATOM 1666 N GLY B 18 -16.120 -4.506 -10.866 1.00 4.25 N ATOM 1667 CA GLY B 18 -15.121 -4.213 -9.802 1.00 6.14 C ATOM 1668 C GLY B 18 -15.290 -5.211 -8.658 1.00 5.91 C ATOM 1669 O GLY B 18 -16.288 -5.895 -8.564 1.00 4.57 O ATOM 0 H GLY B 18 -17.076 -4.221 -10.651 1.00 4.25 H new ATOM 0 HA2 GLY B 18 -14.112 -4.276 -10.208 1.00 6.14 H new ATOM 0 HA3 GLY B 18 -15.253 -3.196 -9.434 1.00 6.14 H new ATOM 1673 N VAL B 19 -14.328 -5.297 -7.783 1.00 7.34 N ATOM 1674 CA VAL B 19 -14.447 -6.245 -6.640 1.00 7.28 C ATOM 1675 C VAL B 19 -13.991 -5.542 -5.365 1.00 7.75 C ATOM 1676 O VAL B 19 -12.844 -5.167 -5.223 1.00 8.70 O ATOM 1677 CB VAL B 19 -13.577 -7.479 -6.887 1.00 8.58 C ATOM 1678 CG1 VAL B 19 -14.223 -8.697 -6.224 1.00 8.10 C ATOM 1679 CG2 VAL B 19 -13.450 -7.726 -8.394 1.00 9.27 C ATOM 0 H VAL B 19 -13.466 -4.753 -7.809 1.00 7.34 H new ATOM 0 HA VAL B 19 -15.485 -6.563 -6.538 1.00 7.28 H new ATOM 0 HB VAL B 19 -12.586 -7.315 -6.463 1.00 8.58 H new ATOM 0 HG11 VAL B 19 -13.604 -9.577 -6.399 1.00 8.10 H new ATOM 0 HG12 VAL B 19 -14.312 -8.523 -5.152 1.00 8.10 H new ATOM 0 HG13 VAL B 19 -15.214 -8.860 -6.648 1.00 8.10 H new ATOM 0 HG21 VAL B 19 -12.830 -8.605 -8.568 1.00 9.27 H new ATOM 0 HG22 VAL B 19 -14.440 -7.890 -8.821 1.00 9.27 H new ATOM 0 HG23 VAL B 19 -12.990 -6.859 -8.867 1.00 9.27 H new ATOM 1689 N SER B 20 -14.888 -5.348 -4.440 1.00 7.06 N ATOM 1690 CA SER B 20 -14.519 -4.655 -3.176 1.00 7.65 C ATOM 1691 C SER B 20 -13.218 -5.246 -2.629 1.00 9.03 C ATOM 1692 O SER B 20 -12.156 -4.678 -2.781 1.00 11.30 O ATOM 1693 CB SER B 20 -15.639 -4.838 -2.150 1.00 6.35 C ATOM 1694 OG SER B 20 -16.482 -3.693 -2.167 1.00 7.90 O ATOM 0 H SER B 20 -15.863 -5.640 -4.505 1.00 7.06 H new ATOM 0 HA SER B 20 -14.377 -3.592 -3.371 1.00 7.65 H new ATOM 0 HB2 SER B 20 -16.217 -5.733 -2.381 1.00 6.35 H new ATOM 0 HB3 SER B 20 -15.217 -4.979 -1.155 1.00 6.35 H new ATOM 0 HG SER B 20 -16.679 -3.446 -3.095 1.00 7.90 H new ATOM 1700 N ARG B 21 -13.293 -6.384 -1.994 1.00 7.66 N ATOM 1701 CA ARG B 21 -12.061 -7.012 -1.439 1.00 8.73 C ATOM 1702 C ARG B 21 -12.203 -8.534 -1.469 1.00 8.88 C ATOM 1703 O ARG B 21 -12.031 -9.203 -0.469 1.00 9.52 O ATOM 1704 CB ARG B 21 -11.857 -6.552 0.003 1.00 8.39 C ATOM 1705 CG ARG B 21 -11.497 -5.066 0.021 1.00 9.21 C ATOM 1706 CD ARG B 21 -11.541 -4.546 1.462 1.00 8.17 C ATOM 1707 NE ARG B 21 -10.577 -5.320 2.295 1.00 7.24 N ATOM 1708 CZ ARG B 21 -10.242 -4.891 3.482 1.00 6.78 C ATOM 1709 NH1 ARG B 21 -10.755 -3.785 3.950 1.00 7.06 N ATOM 1710 NH2 ARG B 21 -9.393 -5.570 4.204 1.00 6.11 N ATOM 0 H ARG B 21 -14.155 -6.906 -1.836 1.00 7.66 H new ATOM 0 HA ARG B 21 -11.203 -6.714 -2.042 1.00 8.73 H new ATOM 0 HB2 ARG B 21 -12.764 -6.724 0.582 1.00 8.39 H new ATOM 0 HB3 ARG B 21 -11.064 -7.134 0.473 1.00 8.39 H new ATOM 0 HG2 ARG B 21 -10.503 -4.917 -0.400 1.00 9.21 H new ATOM 0 HG3 ARG B 21 -12.194 -4.505 -0.601 1.00 9.21 H new ATOM 0 HD2 ARG B 21 -11.290 -3.486 1.486 1.00 8.17 H new ATOM 0 HD3 ARG B 21 -12.549 -4.644 1.866 1.00 8.17 H new ATOM 0 HE ARG B 21 -10.178 -6.188 1.937 1.00 7.24 H new ATOM 0 HH11 ARG B 21 -11.420 -3.253 3.388 1.00 7.06 H new ATOM 0 HH12 ARG B 21 -10.491 -3.453 4.878 1.00 7.06 H new ATOM 0 HH21 ARG B 21 -8.992 -6.435 3.841 1.00 6.11 H new ATOM 0 HH22 ARG B 21 -9.131 -5.236 5.131 1.00 6.11 H new ATOM 1724 N GLN B 22 -12.518 -9.089 -2.607 1.00 8.75 N ATOM 1725 CA GLN B 22 -12.672 -10.568 -2.697 1.00 9.39 C ATOM 1726 C GLN B 22 -13.977 -10.984 -2.013 1.00 8.69 C ATOM 1727 O GLN B 22 -14.149 -12.122 -1.624 1.00 9.30 O ATOM 1728 CB GLN B 22 -11.491 -11.249 -2.000 1.00 10.55 C ATOM 1729 CG GLN B 22 -10.195 -10.510 -2.344 1.00 11.18 C ATOM 1730 CD GLN B 22 -9.027 -11.499 -2.350 1.00 12.16 C ATOM 1731 OE1 GLN B 22 -8.418 -11.731 -3.375 1.00 12.21 O ATOM 1732 NE2 GLN B 22 -8.686 -12.095 -1.240 1.00 13.35 N ATOM 0 H GLN B 22 -12.675 -8.582 -3.478 1.00 8.75 H new ATOM 0 HA GLN B 22 -12.696 -10.869 -3.744 1.00 9.39 H new ATOM 0 HB2 GLN B 22 -11.645 -11.251 -0.921 1.00 10.55 H new ATOM 0 HB3 GLN B 22 -11.422 -12.290 -2.314 1.00 10.55 H new ATOM 0 HG2 GLN B 22 -10.285 -10.032 -3.319 1.00 11.18 H new ATOM 0 HG3 GLN B 22 -10.011 -9.719 -1.617 1.00 11.18 H new ATOM 0 HE21 GLN B 22 -9.197 -11.901 -0.379 1.00 13.35 H new ATOM 0 HE22 GLN B 22 -7.908 -12.755 -1.234 1.00 13.35 H new ATOM 1741 N GLY B 23 -14.898 -10.072 -1.864 1.00 7.90 N ATOM 1742 CA GLY B 23 -16.189 -10.417 -1.207 1.00 7.73 C ATOM 1743 C GLY B 23 -17.294 -10.496 -2.261 1.00 6.35 C ATOM 1744 O GLY B 23 -18.023 -11.465 -2.340 1.00 6.41 O ATOM 0 H GLY B 23 -14.812 -9.103 -2.169 1.00 7.90 H new ATOM 0 HA2 GLY B 23 -16.100 -11.370 -0.686 1.00 7.73 H new ATOM 0 HA3 GLY B 23 -16.440 -9.666 -0.458 1.00 7.73 H new ATOM 1748 N LYS B 24 -17.425 -9.483 -3.074 1.00 5.46 N ATOM 1749 CA LYS B 24 -18.485 -9.503 -4.122 1.00 4.53 C ATOM 1750 C LYS B 24 -18.074 -8.593 -5.284 1.00 4.37 C ATOM 1751 O LYS B 24 -17.382 -7.614 -5.085 1.00 4.30 O ATOM 1752 CB LYS B 24 -19.810 -8.999 -3.534 1.00 3.21 C ATOM 1753 CG LYS B 24 -19.850 -9.257 -2.025 1.00 3.76 C ATOM 1754 CD LYS B 24 -21.019 -8.483 -1.409 1.00 4.45 C ATOM 1755 CE LYS B 24 -21.616 -9.286 -0.251 1.00 4.36 C ATOM 1756 NZ LYS B 24 -23.102 -9.199 -0.303 1.00 4.66 N ATOM 0 H LYS B 24 -16.845 -8.644 -3.058 1.00 5.46 H new ATOM 0 HA LYS B 24 -18.612 -10.525 -4.480 1.00 4.53 H new ATOM 0 HB2 LYS B 24 -19.922 -7.933 -3.731 1.00 3.21 H new ATOM 0 HB3 LYS B 24 -20.646 -9.502 -4.019 1.00 3.21 H new ATOM 0 HG2 LYS B 24 -19.962 -10.324 -1.830 1.00 3.76 H new ATOM 0 HG3 LYS B 24 -18.911 -8.946 -1.566 1.00 3.76 H new ATOM 0 HD2 LYS B 24 -20.677 -7.512 -1.052 1.00 4.45 H new ATOM 0 HD3 LYS B 24 -21.781 -8.295 -2.165 1.00 4.45 H new ATOM 0 HE2 LYS B 24 -21.299 -10.327 -0.314 1.00 4.36 H new ATOM 0 HE3 LYS B 24 -21.251 -8.899 0.700 1.00 4.36 H new ATOM 0 HZ1 LYS B 24 -23.509 -9.744 0.483 1.00 4.66 H new ATOM 0 HZ2 LYS B 24 -23.395 -8.204 -0.223 1.00 4.66 H new ATOM 0 HZ3 LYS B 24 -23.441 -9.588 -1.206 1.00 4.66 H new ATOM 1770 N PRO B 25 -18.518 -8.943 -6.465 1.00 4.52 N ATOM 1771 CA PRO B 25 -18.224 -8.175 -7.685 1.00 4.26 C ATOM 1772 C PRO B 25 -19.120 -6.936 -7.762 1.00 2.86 C ATOM 1773 O PRO B 25 -20.327 -7.039 -7.865 1.00 3.01 O ATOM 1774 CB PRO B 25 -18.544 -9.151 -8.815 1.00 5.27 C ATOM 1775 CG PRO B 25 -19.518 -10.190 -8.223 1.00 5.38 C ATOM 1776 CD PRO B 25 -19.356 -10.135 -6.693 1.00 5.26 C ATOM 0 HA PRO B 25 -17.197 -7.812 -7.725 1.00 4.26 H new ATOM 0 HB2 PRO B 25 -18.995 -8.633 -9.661 1.00 5.27 H new ATOM 0 HB3 PRO B 25 -17.638 -9.632 -9.182 1.00 5.27 H new ATOM 0 HG2 PRO B 25 -20.545 -9.964 -8.511 1.00 5.38 H new ATOM 0 HG3 PRO B 25 -19.293 -11.188 -8.599 1.00 5.38 H new ATOM 0 HD2 PRO B 25 -20.320 -10.047 -6.193 1.00 5.26 H new ATOM 0 HD3 PRO B 25 -18.879 -11.037 -6.309 1.00 5.26 H new ATOM 1784 N TYR B 26 -18.545 -5.766 -7.709 1.00 2.34 N ATOM 1785 CA TYR B 26 -19.370 -4.531 -7.776 1.00 1.44 C ATOM 1786 C TYR B 26 -19.113 -3.810 -9.100 1.00 1.46 C ATOM 1787 O TYR B 26 -18.002 -3.752 -9.581 1.00 2.35 O ATOM 1788 CB TYR B 26 -19.019 -3.612 -6.596 1.00 2.22 C ATOM 1789 CG TYR B 26 -17.603 -3.084 -6.727 1.00 3.40 C ATOM 1790 CD1 TYR B 26 -17.291 -2.164 -7.731 1.00 5.72 C ATOM 1791 CD2 TYR B 26 -16.616 -3.497 -5.825 1.00 3.18 C ATOM 1792 CE1 TYR B 26 -15.990 -1.657 -7.839 1.00 6.82 C ATOM 1793 CE2 TYR B 26 -15.313 -2.991 -5.933 1.00 4.50 C ATOM 1794 CZ TYR B 26 -15.001 -2.071 -6.940 1.00 5.95 C ATOM 1795 OH TYR B 26 -13.719 -1.572 -7.046 1.00 7.28 O ATOM 0 H TYR B 26 -17.540 -5.614 -7.622 1.00 2.34 H new ATOM 0 HA TYR B 26 -20.426 -4.796 -7.718 1.00 1.44 H new ATOM 0 HB2 TYR B 26 -19.720 -2.779 -6.557 1.00 2.22 H new ATOM 0 HB3 TYR B 26 -19.122 -4.160 -5.659 1.00 2.22 H new ATOM 0 HD1 TYR B 26 -18.054 -1.843 -8.425 1.00 5.72 H new ATOM 0 HD2 TYR B 26 -16.858 -4.205 -5.046 1.00 3.18 H new ATOM 0 HE1 TYR B 26 -15.750 -0.946 -8.616 1.00 6.82 H new ATOM 0 HE2 TYR B 26 -14.550 -3.311 -5.239 1.00 4.50 H new ATOM 0 HH TYR B 26 -13.157 -1.962 -6.344 1.00 7.28 H new ATOM 1805 N SER B 27 -20.135 -3.261 -9.695 1.00 1.81 N ATOM 1806 CA SER B 27 -19.947 -2.542 -10.987 1.00 2.02 C ATOM 1807 C SER B 27 -19.843 -1.043 -10.704 1.00 2.72 C ATOM 1808 O SER B 27 -20.794 -0.304 -10.865 1.00 4.06 O ATOM 1809 CB SER B 27 -21.145 -2.806 -11.900 1.00 2.44 C ATOM 1810 OG SER B 27 -21.646 -4.113 -11.651 1.00 1.96 O ATOM 0 H SER B 27 -21.092 -3.279 -9.343 1.00 1.81 H new ATOM 0 HA SER B 27 -19.039 -2.893 -11.478 1.00 2.02 H new ATOM 0 HB2 SER B 27 -21.924 -2.065 -11.720 1.00 2.44 H new ATOM 0 HB3 SER B 27 -20.849 -2.710 -12.945 1.00 2.44 H new ATOM 0 HG SER B 27 -22.415 -4.285 -12.233 1.00 1.96 H new ATOM 1816 N LEU B 28 -18.701 -0.589 -10.267 1.00 2.30 N ATOM 1817 CA LEU B 28 -18.546 0.860 -9.957 1.00 3.35 C ATOM 1818 C LEU B 28 -18.015 1.610 -11.179 1.00 2.91 C ATOM 1819 O LEU B 28 -17.611 1.021 -12.162 1.00 2.65 O ATOM 1820 CB LEU B 28 -17.567 1.027 -8.796 1.00 4.15 C ATOM 1821 CG LEU B 28 -18.072 2.121 -7.855 1.00 5.99 C ATOM 1822 CD1 LEU B 28 -18.310 1.530 -6.464 1.00 5.37 C ATOM 1823 CD2 LEU B 28 -17.027 3.237 -7.767 1.00 7.71 C ATOM 0 H LEU B 28 -17.869 -1.158 -10.111 1.00 2.30 H new ATOM 0 HA LEU B 28 -19.519 1.270 -9.685 1.00 3.35 H new ATOM 0 HB2 LEU B 28 -17.464 0.086 -8.255 1.00 4.15 H new ATOM 0 HB3 LEU B 28 -16.578 1.286 -9.175 1.00 4.15 H new ATOM 0 HG LEU B 28 -19.008 2.528 -8.238 1.00 5.99 H new ATOM 0 HD11 LEU B 28 -18.670 2.311 -5.794 1.00 5.37 H new ATOM 0 HD12 LEU B 28 -19.054 0.736 -6.529 1.00 5.37 H new ATOM 0 HD13 LEU B 28 -17.376 1.122 -6.077 1.00 5.37 H new ATOM 0 HD21 LEU B 28 -17.385 4.018 -7.097 1.00 7.71 H new ATOM 0 HD22 LEU B 28 -16.091 2.830 -7.383 1.00 7.71 H new ATOM 0 HD23 LEU B 28 -16.860 3.658 -8.758 1.00 7.71 H new ATOM 1835 N ASN B 29 -18.009 2.912 -11.111 1.00 2.80 N ATOM 1836 CA ASN B 29 -17.499 3.727 -12.253 1.00 2.55 C ATOM 1837 C ASN B 29 -16.014 4.020 -12.020 1.00 2.33 C ATOM 1838 O ASN B 29 -15.641 4.585 -11.015 1.00 2.56 O ATOM 1839 CB ASN B 29 -18.275 5.054 -12.375 1.00 2.59 C ATOM 1840 CG ASN B 29 -19.153 5.315 -11.140 1.00 2.63 C ATOM 1841 OD1 ASN B 29 -19.747 4.409 -10.590 1.00 1.30 O ATOM 1842 ND2 ASN B 29 -19.282 6.536 -10.693 1.00 4.90 N ATOM 0 H ASN B 29 -18.337 3.451 -10.310 1.00 2.80 H new ATOM 0 HA ASN B 29 -17.637 3.168 -13.179 1.00 2.55 H new ATOM 0 HB2 ASN B 29 -17.571 5.877 -12.502 1.00 2.59 H new ATOM 0 HB3 ASN B 29 -18.900 5.029 -13.267 1.00 2.59 H new ATOM 0 HD21 ASN B 29 -19.878 6.724 -9.887 1.00 4.90 H new ATOM 0 HD22 ASN B 29 -18.786 7.301 -11.150 1.00 4.90 H new ATOM 1849 N GLU B 30 -15.162 3.629 -12.930 1.00 1.95 N ATOM 1850 CA GLU B 30 -13.701 3.881 -12.742 1.00 1.79 C ATOM 1851 C GLU B 30 -13.226 4.945 -13.738 1.00 1.54 C ATOM 1852 O GLU B 30 -13.823 5.145 -14.777 1.00 1.74 O ATOM 1853 CB GLU B 30 -12.927 2.581 -12.980 1.00 1.84 C ATOM 1854 CG GLU B 30 -12.901 1.757 -11.691 1.00 1.85 C ATOM 1855 CD GLU B 30 -13.082 0.275 -12.028 1.00 2.55 C ATOM 1856 OE1 GLU B 30 -14.198 -0.111 -12.335 1.00 3.29 O ATOM 1857 OE2 GLU B 30 -12.101 -0.449 -11.973 1.00 2.49 O ATOM 0 H GLU B 30 -15.412 3.147 -13.794 1.00 1.95 H new ATOM 0 HA GLU B 30 -13.524 4.234 -11.726 1.00 1.79 H new ATOM 0 HB2 GLU B 30 -13.395 2.008 -13.781 1.00 1.84 H new ATOM 0 HB3 GLU B 30 -11.910 2.805 -13.301 1.00 1.84 H new ATOM 0 HG2 GLU B 30 -11.957 1.909 -11.169 1.00 1.85 H new ATOM 0 HG3 GLU B 30 -13.694 2.088 -11.020 1.00 1.85 H new ATOM 1864 N GLN B 31 -12.154 5.628 -13.429 1.00 1.16 N ATOM 1865 CA GLN B 31 -11.642 6.678 -14.361 1.00 1.04 C ATOM 1866 C GLN B 31 -10.117 6.589 -14.456 1.00 1.01 C ATOM 1867 O GLN B 31 -9.508 5.646 -13.991 1.00 1.40 O ATOM 1868 CB GLN B 31 -12.032 8.065 -13.838 1.00 0.78 C ATOM 1869 CG GLN B 31 -12.512 8.938 -15.001 1.00 1.50 C ATOM 1870 CD GLN B 31 -11.525 10.088 -15.208 1.00 1.20 C ATOM 1871 OE1 GLN B 31 -10.365 9.863 -15.493 1.00 3.28 O ATOM 1872 NE2 GLN B 31 -11.936 11.319 -15.073 1.00 0.35 N ATOM 0 H GLN B 31 -11.612 5.505 -12.574 1.00 1.16 H new ATOM 0 HA GLN B 31 -12.078 6.521 -15.347 1.00 1.04 H new ATOM 0 HB2 GLN B 31 -12.819 7.974 -13.090 1.00 0.78 H new ATOM 0 HB3 GLN B 31 -11.178 8.533 -13.347 1.00 0.78 H new ATOM 0 HG2 GLN B 31 -12.590 8.342 -15.910 1.00 1.50 H new ATOM 0 HG3 GLN B 31 -13.507 9.330 -14.790 1.00 1.50 H new ATOM 0 HE21 GLN B 31 -12.909 11.508 -14.834 1.00 0.35 H new ATOM 0 HE22 GLN B 31 -11.284 12.092 -15.207 1.00 0.35 H new ATOM 1881 N LEU B 32 -9.499 7.568 -15.058 1.00 1.21 N ATOM 1882 CA LEU B 32 -8.015 7.553 -15.190 1.00 0.99 C ATOM 1883 C LEU B 32 -7.459 8.937 -14.831 1.00 0.82 C ATOM 1884 O LEU B 32 -8.202 9.872 -14.606 1.00 1.01 O ATOM 1885 CB LEU B 32 -7.642 7.200 -16.633 1.00 1.16 C ATOM 1886 CG LEU B 32 -8.089 5.770 -16.940 1.00 1.34 C ATOM 1887 CD1 LEU B 32 -8.947 5.762 -18.208 1.00 2.59 C ATOM 1888 CD2 LEU B 32 -6.858 4.885 -17.150 1.00 1.35 C ATOM 0 H LEU B 32 -9.960 8.381 -15.466 1.00 1.21 H new ATOM 0 HA LEU B 32 -7.590 6.810 -14.515 1.00 0.99 H new ATOM 0 HB2 LEU B 32 -8.117 7.897 -17.324 1.00 1.16 H new ATOM 0 HB3 LEU B 32 -6.565 7.294 -16.775 1.00 1.16 H new ATOM 0 HG LEU B 32 -8.675 5.386 -16.105 1.00 1.34 H new ATOM 0 HD11 LEU B 32 -9.265 4.742 -18.426 1.00 2.59 H new ATOM 0 HD12 LEU B 32 -9.824 6.391 -18.058 1.00 2.59 H new ATOM 0 HD13 LEU B 32 -8.364 6.147 -19.045 1.00 2.59 H new ATOM 0 HD21 LEU B 32 -7.176 3.866 -17.369 1.00 1.35 H new ATOM 0 HD22 LEU B 32 -6.272 5.269 -17.985 1.00 1.35 H new ATOM 0 HD23 LEU B 32 -6.249 4.889 -16.246 1.00 1.35 H new ATOM 1900 N CYS B 33 -6.160 9.078 -14.772 1.00 0.58 N ATOM 1901 CA CYS B 33 -5.561 10.398 -14.424 1.00 0.53 C ATOM 1902 C CYS B 33 -4.065 10.336 -14.715 1.00 0.47 C ATOM 1903 O CYS B 33 -3.512 9.274 -14.903 1.00 0.63 O ATOM 1904 CB CYS B 33 -5.769 10.726 -12.936 1.00 0.49 C ATOM 1905 SG CYS B 33 -6.470 9.309 -12.046 1.00 1.83 S ATOM 0 H CYS B 33 -5.487 8.332 -14.951 1.00 0.58 H new ATOM 0 HA CYS B 33 -6.045 11.175 -15.016 1.00 0.53 H new ATOM 0 HB2 CYS B 33 -4.817 11.007 -12.486 1.00 0.49 H new ATOM 0 HB3 CYS B 33 -6.433 11.585 -12.839 1.00 0.49 H new ATOM 0 HG CYS B 33 -5.948 8.209 -12.502 1.00 1.83 H new ATOM 1911 N TYR B 34 -3.399 11.456 -14.748 1.00 0.32 N ATOM 1912 CA TYR B 34 -1.937 11.433 -15.029 1.00 0.63 C ATOM 1913 C TYR B 34 -1.184 12.031 -13.847 1.00 0.70 C ATOM 1914 O TYR B 34 -1.048 13.231 -13.733 1.00 1.18 O ATOM 1915 CB TYR B 34 -1.642 12.267 -16.266 1.00 0.78 C ATOM 1916 CG TYR B 34 -1.793 11.429 -17.512 1.00 0.96 C ATOM 1917 CD1 TYR B 34 -0.731 10.628 -17.953 1.00 2.11 C ATOM 1918 CD2 TYR B 34 -2.986 11.475 -18.240 1.00 3.07 C ATOM 1919 CE1 TYR B 34 -0.864 9.877 -19.121 1.00 1.97 C ATOM 1920 CE2 TYR B 34 -3.115 10.726 -19.411 1.00 3.34 C ATOM 1921 CZ TYR B 34 -2.053 9.930 -19.851 1.00 1.45 C ATOM 1922 OH TYR B 34 -2.183 9.189 -21.008 1.00 1.72 O ATOM 0 H TYR B 34 -3.801 12.381 -14.594 1.00 0.32 H new ATOM 0 HA TYR B 34 -1.621 10.403 -15.192 1.00 0.63 H new ATOM 0 HB2 TYR B 34 -2.320 13.119 -16.308 1.00 0.78 H new ATOM 0 HB3 TYR B 34 -0.630 12.668 -16.210 1.00 0.78 H new ATOM 0 HD1 TYR B 34 0.189 10.592 -17.389 1.00 2.11 H new ATOM 0 HD2 TYR B 34 -3.806 12.089 -17.897 1.00 3.07 H new ATOM 0 HE1 TYR B 34 -0.048 9.255 -19.460 1.00 1.97 H new ATOM 0 HE2 TYR B 34 -4.034 10.761 -19.977 1.00 3.34 H new ATOM 0 HH TYR B 34 -3.072 9.338 -21.394 1.00 1.72 H new ATOM 1932 N VAL B 35 -0.695 11.212 -12.966 1.00 0.86 N ATOM 1933 CA VAL B 35 0.037 11.752 -11.790 1.00 0.80 C ATOM 1934 C VAL B 35 1.542 11.764 -12.051 1.00 1.22 C ATOM 1935 O VAL B 35 2.169 10.729 -12.153 1.00 1.52 O ATOM 1936 CB VAL B 35 -0.255 10.885 -10.564 1.00 0.67 C ATOM 1937 CG1 VAL B 35 0.099 11.663 -9.294 1.00 0.72 C ATOM 1938 CG2 VAL B 35 -1.743 10.520 -10.541 1.00 0.84 C ATOM 0 H VAL B 35 -0.769 10.195 -13.007 1.00 0.86 H new ATOM 0 HA VAL B 35 -0.298 12.774 -11.612 1.00 0.80 H new ATOM 0 HB VAL B 35 0.342 9.974 -10.611 1.00 0.67 H new ATOM 0 HG11 VAL B 35 -0.109 11.046 -8.420 1.00 0.72 H new ATOM 0 HG12 VAL B 35 1.157 11.925 -9.311 1.00 0.72 H new ATOM 0 HG13 VAL B 35 -0.499 12.573 -9.246 1.00 0.72 H new ATOM 0 HG21 VAL B 35 -1.953 9.902 -9.668 1.00 0.84 H new ATOM 0 HG22 VAL B 35 -2.340 11.431 -10.493 1.00 0.84 H new ATOM 0 HG23 VAL B 35 -1.996 9.967 -11.446 1.00 0.84 H new ATOM 1948 N ASP B 36 2.138 12.927 -12.134 1.00 1.54 N ATOM 1949 CA ASP B 36 3.599 12.986 -12.345 1.00 1.95 C ATOM 1950 C ASP B 36 4.253 12.333 -11.127 1.00 2.04 C ATOM 1951 O ASP B 36 5.254 11.653 -11.227 1.00 3.89 O ATOM 1952 CB ASP B 36 4.047 14.447 -12.460 1.00 2.16 C ATOM 1953 CG ASP B 36 3.615 15.012 -13.815 1.00 2.92 C ATOM 1954 OD1 ASP B 36 2.420 15.143 -14.026 1.00 3.99 O ATOM 1955 OD2 ASP B 36 4.485 15.305 -14.618 1.00 3.88 O ATOM 0 H ASP B 36 1.670 13.830 -12.064 1.00 1.54 H new ATOM 0 HA ASP B 36 3.884 12.470 -13.262 1.00 1.95 H new ATOM 0 HB2 ASP B 36 3.611 15.036 -11.653 1.00 2.16 H new ATOM 0 HB3 ASP B 36 5.130 14.515 -12.355 1.00 2.16 H new ATOM 1960 N LEU B 37 3.660 12.525 -9.974 1.00 1.40 N ATOM 1961 CA LEU B 37 4.198 11.909 -8.727 1.00 1.79 C ATOM 1962 C LEU B 37 5.700 12.180 -8.614 1.00 1.95 C ATOM 1963 O LEU B 37 6.420 11.493 -7.919 1.00 2.32 O ATOM 1964 CB LEU B 37 3.940 10.401 -8.776 1.00 1.98 C ATOM 1965 CG LEU B 37 4.629 9.717 -7.600 1.00 0.96 C ATOM 1966 CD1 LEU B 37 3.677 8.691 -6.983 1.00 2.40 C ATOM 1967 CD2 LEU B 37 5.892 9.009 -8.097 1.00 1.46 C ATOM 0 H LEU B 37 2.819 13.088 -9.845 1.00 1.40 H new ATOM 0 HA LEU B 37 3.703 12.341 -7.857 1.00 1.79 H new ATOM 0 HB2 LEU B 37 2.868 10.206 -8.744 1.00 1.98 H new ATOM 0 HB3 LEU B 37 4.311 9.990 -9.715 1.00 1.98 H new ATOM 0 HG LEU B 37 4.899 10.459 -6.849 1.00 0.96 H new ATOM 0 HD11 LEU B 37 4.167 8.200 -6.142 1.00 2.40 H new ATOM 0 HD12 LEU B 37 2.775 9.195 -6.634 1.00 2.40 H new ATOM 0 HD13 LEU B 37 3.410 7.946 -7.732 1.00 2.40 H new ATOM 0 HD21 LEU B 37 6.388 8.519 -7.259 1.00 1.46 H new ATOM 0 HD22 LEU B 37 5.621 8.264 -8.845 1.00 1.46 H new ATOM 0 HD23 LEU B 37 6.568 9.740 -8.541 1.00 1.46 H new ATOM 1979 N GLY B 38 6.181 13.180 -9.285 1.00 1.82 N ATOM 1980 CA GLY B 38 7.629 13.484 -9.209 1.00 2.02 C ATOM 1981 C GLY B 38 8.366 12.682 -10.284 1.00 2.30 C ATOM 1982 O GLY B 38 9.574 12.556 -10.259 1.00 2.70 O ATOM 0 H GLY B 38 5.635 13.800 -9.883 1.00 1.82 H new ATOM 0 HA2 GLY B 38 7.797 14.551 -9.354 1.00 2.02 H new ATOM 0 HA3 GLY B 38 8.015 13.232 -8.221 1.00 2.02 H new ATOM 1986 N ASN B 39 7.644 12.134 -11.228 1.00 2.18 N ATOM 1987 CA ASN B 39 8.294 11.336 -12.302 1.00 2.55 C ATOM 1988 C ASN B 39 8.555 12.223 -13.522 1.00 2.44 C ATOM 1989 O ASN B 39 8.855 11.744 -14.596 1.00 3.51 O ATOM 1990 CB ASN B 39 7.384 10.170 -12.705 1.00 2.75 C ATOM 1991 CG ASN B 39 7.021 9.340 -11.470 1.00 2.89 C ATOM 1992 OD1 ASN B 39 7.703 9.394 -10.466 1.00 3.10 O ATOM 1993 ND2 ASN B 39 5.966 8.565 -11.504 1.00 2.81 N ATOM 0 H ASN B 39 6.629 12.207 -11.298 1.00 2.18 H new ATOM 0 HA ASN B 39 9.241 10.945 -11.930 1.00 2.55 H new ATOM 0 HB2 ASN B 39 6.478 10.551 -13.177 1.00 2.75 H new ATOM 0 HB3 ASN B 39 7.887 9.542 -13.441 1.00 2.75 H new ATOM 0 HD21 ASN B 39 5.717 8.007 -10.688 1.00 2.81 H new ATOM 0 HD22 ASN B 39 5.393 8.520 -12.347 1.00 2.81 H new ATOM 2000 N GLU B 40 8.433 13.510 -13.357 1.00 2.96 N ATOM 2001 CA GLU B 40 8.664 14.472 -14.483 1.00 2.86 C ATOM 2002 C GLU B 40 7.538 14.369 -15.509 1.00 2.22 C ATOM 2003 O GLU B 40 6.924 15.348 -15.882 1.00 2.42 O ATOM 2004 CB GLU B 40 10.008 14.180 -15.160 1.00 2.94 C ATOM 2005 CG GLU B 40 11.145 14.457 -14.175 1.00 3.80 C ATOM 2006 CD GLU B 40 12.389 13.674 -14.596 1.00 3.71 C ATOM 2007 OE1 GLU B 40 13.049 14.104 -15.529 1.00 4.11 O ATOM 2008 OE2 GLU B 40 12.662 12.658 -13.980 1.00 3.39 O ATOM 0 H GLU B 40 8.178 13.949 -12.473 1.00 2.96 H new ATOM 0 HA GLU B 40 8.681 15.483 -14.076 1.00 2.86 H new ATOM 0 HB2 GLU B 40 10.043 13.142 -15.490 1.00 2.94 H new ATOM 0 HB3 GLU B 40 10.123 14.801 -16.048 1.00 2.94 H new ATOM 0 HG2 GLU B 40 11.366 15.524 -14.149 1.00 3.80 H new ATOM 0 HG3 GLU B 40 10.845 14.169 -13.167 1.00 3.80 H new ATOM 2015 N HIS B 41 7.271 13.190 -15.961 1.00 0.00 N ATOM 2016 CA HIS B 41 6.186 12.990 -16.967 1.00 0.00 C ATOM 2017 C HIS B 41 4.914 12.544 -16.243 1.00 0.00 C ATOM 2018 O HIS B 41 4.978 12.092 -15.117 1.00 0.00 O ATOM 2019 CB HIS B 41 6.614 11.911 -17.966 1.00 0.00 C ATOM 2020 CG HIS B 41 7.748 12.429 -18.809 1.00 0.00 C ATOM 2021 ND1 HIS B 41 8.936 12.879 -18.255 1.00 0.00 N ATOM 2022 CD2 HIS B 41 7.890 12.574 -20.167 1.00 0.00 C ATOM 2023 CE1 HIS B 41 9.733 13.271 -19.266 1.00 0.00 C ATOM 2024 NE2 HIS B 41 9.144 13.106 -20.454 1.00 0.00 N ATOM 0 H HIS B 41 7.758 12.339 -15.679 1.00 0.00 H new ATOM 0 HA HIS B 41 5.997 13.921 -17.501 1.00 0.00 H new ATOM 0 HB2 HIS B 41 6.923 11.011 -17.435 1.00 0.00 H new ATOM 0 HB3 HIS B 41 5.772 11.633 -18.601 1.00 0.00 H new ATOM 0 HD2 HIS B 41 7.142 12.315 -20.901 1.00 0.00 H new ATOM 0 HE1 HIS B 41 10.728 13.670 -19.133 1.00 0.00 H new ATOM 0 HE2 HIS B 41 9.530 13.323 -21.373 1.00 0.00 H new ATOM 2032 N PRO B 42 3.794 12.684 -16.905 1.00 1.64 N ATOM 2033 CA PRO B 42 2.495 12.300 -16.332 1.00 1.94 C ATOM 2034 C PRO B 42 2.315 10.788 -16.397 1.00 1.74 C ATOM 2035 O PRO B 42 2.630 10.160 -17.389 1.00 1.69 O ATOM 2036 CB PRO B 42 1.480 12.988 -17.241 1.00 2.43 C ATOM 2037 CG PRO B 42 2.196 13.236 -18.583 1.00 3.44 C ATOM 2038 CD PRO B 42 3.710 13.232 -18.276 1.00 2.27 C ATOM 0 HA PRO B 42 2.393 12.586 -15.285 1.00 1.94 H new ATOM 0 HB2 PRO B 42 0.598 12.363 -17.381 1.00 2.43 H new ATOM 0 HB3 PRO B 42 1.140 13.926 -16.803 1.00 2.43 H new ATOM 0 HG2 PRO B 42 1.944 12.461 -19.307 1.00 3.44 H new ATOM 0 HG3 PRO B 42 1.890 14.188 -19.016 1.00 3.44 H new ATOM 0 HD2 PRO B 42 4.260 12.616 -18.987 1.00 2.27 H new ATOM 0 HD3 PRO B 42 4.131 14.236 -18.332 1.00 2.27 H new ATOM 2046 N VAL B 43 1.803 10.197 -15.361 1.00 1.64 N ATOM 2047 CA VAL B 43 1.598 8.728 -15.386 1.00 1.63 C ATOM 2048 C VAL B 43 0.104 8.431 -15.431 1.00 1.65 C ATOM 2049 O VAL B 43 -0.627 8.728 -14.509 1.00 1.64 O ATOM 2050 CB VAL B 43 2.214 8.096 -14.139 1.00 1.91 C ATOM 2051 CG1 VAL B 43 3.623 8.651 -13.925 1.00 1.51 C ATOM 2052 CG2 VAL B 43 1.348 8.415 -12.916 1.00 3.58 C ATOM 0 H VAL B 43 1.518 10.665 -14.500 1.00 1.64 H new ATOM 0 HA VAL B 43 2.080 8.309 -16.269 1.00 1.63 H new ATOM 0 HB VAL B 43 2.266 7.015 -14.273 1.00 1.91 H new ATOM 0 HG11 VAL B 43 4.061 8.199 -13.035 1.00 1.51 H new ATOM 0 HG12 VAL B 43 4.241 8.418 -14.792 1.00 1.51 H new ATOM 0 HG13 VAL B 43 3.572 9.732 -13.795 1.00 1.51 H new ATOM 0 HG21 VAL B 43 1.791 7.962 -12.029 1.00 3.58 H new ATOM 0 HG22 VAL B 43 1.291 9.495 -12.782 1.00 3.58 H new ATOM 0 HG23 VAL B 43 0.345 8.014 -13.066 1.00 3.58 H new ATOM 2062 N LEU B 44 -0.358 7.846 -16.498 1.00 1.83 N ATOM 2063 CA LEU B 44 -1.804 7.540 -16.589 1.00 1.94 C ATOM 2064 C LEU B 44 -2.149 6.459 -15.571 1.00 2.00 C ATOM 2065 O LEU B 44 -1.897 5.288 -15.777 1.00 2.65 O ATOM 2066 CB LEU B 44 -2.147 7.061 -17.992 1.00 2.14 C ATOM 2067 CG LEU B 44 -3.624 6.685 -18.040 1.00 2.02 C ATOM 2068 CD1 LEU B 44 -4.472 7.907 -17.674 1.00 1.83 C ATOM 2069 CD2 LEU B 44 -3.986 6.214 -19.449 1.00 2.55 C ATOM 0 H LEU B 44 0.201 7.569 -17.305 1.00 1.83 H new ATOM 0 HA LEU B 44 -2.382 8.440 -16.377 1.00 1.94 H new ATOM 0 HB2 LEU B 44 -1.934 7.844 -18.720 1.00 2.14 H new ATOM 0 HB3 LEU B 44 -1.531 6.202 -18.258 1.00 2.14 H new ATOM 0 HG LEU B 44 -3.819 5.882 -17.330 1.00 2.02 H new ATOM 0 HD11 LEU B 44 -5.528 7.640 -17.708 1.00 1.83 H new ATOM 0 HD12 LEU B 44 -4.214 8.241 -16.669 1.00 1.83 H new ATOM 0 HD13 LEU B 44 -4.278 8.711 -18.384 1.00 1.83 H new ATOM 0 HD21 LEU B 44 -5.042 5.945 -19.483 1.00 2.55 H new ATOM 0 HD22 LEU B 44 -3.793 7.016 -20.162 1.00 2.55 H new ATOM 0 HD23 LEU B 44 -3.382 5.345 -19.708 1.00 2.55 H new ATOM 2081 N VAL B 45 -2.716 6.850 -14.470 1.00 1.36 N ATOM 2082 CA VAL B 45 -3.075 5.861 -13.419 1.00 1.34 C ATOM 2083 C VAL B 45 -4.604 5.735 -13.348 1.00 1.15 C ATOM 2084 O VAL B 45 -5.325 6.616 -13.771 1.00 0.98 O ATOM 2085 CB VAL B 45 -2.478 6.325 -12.077 1.00 1.33 C ATOM 2086 CG1 VAL B 45 -3.531 7.030 -11.211 1.00 1.45 C ATOM 2087 CG2 VAL B 45 -1.925 5.115 -11.321 1.00 2.66 C ATOM 0 H VAL B 45 -2.949 7.818 -14.250 1.00 1.36 H new ATOM 0 HA VAL B 45 -2.667 4.878 -13.653 1.00 1.34 H new ATOM 0 HB VAL B 45 -1.678 7.035 -12.287 1.00 1.33 H new ATOM 0 HG11 VAL B 45 -3.078 7.345 -10.271 1.00 1.45 H new ATOM 0 HG12 VAL B 45 -3.912 7.903 -11.741 1.00 1.45 H new ATOM 0 HG13 VAL B 45 -4.352 6.343 -11.005 1.00 1.45 H new ATOM 0 HG21 VAL B 45 -1.502 5.442 -10.371 1.00 2.66 H new ATOM 0 HG22 VAL B 45 -2.730 4.404 -11.135 1.00 2.66 H new ATOM 0 HG23 VAL B 45 -1.149 4.636 -11.918 1.00 2.66 H new ATOM 2097 N LYS B 46 -5.103 4.646 -12.832 1.00 1.23 N ATOM 2098 CA LYS B 46 -6.582 4.471 -12.757 1.00 1.30 C ATOM 2099 C LYS B 46 -7.140 5.210 -11.538 1.00 1.32 C ATOM 2100 O LYS B 46 -6.408 5.717 -10.711 1.00 1.76 O ATOM 2101 CB LYS B 46 -6.916 2.982 -12.645 1.00 1.56 C ATOM 2102 CG LYS B 46 -6.470 2.259 -13.918 1.00 0.92 C ATOM 2103 CD LYS B 46 -7.032 0.837 -13.921 1.00 1.05 C ATOM 2104 CE LYS B 46 -7.970 0.659 -15.116 1.00 3.40 C ATOM 2105 NZ LYS B 46 -7.998 -0.777 -15.514 1.00 3.89 N ATOM 0 H LYS B 46 -4.553 3.872 -12.460 1.00 1.23 H new ATOM 0 HA LYS B 46 -7.033 4.882 -13.660 1.00 1.30 H new ATOM 0 HB2 LYS B 46 -6.418 2.551 -11.776 1.00 1.56 H new ATOM 0 HB3 LYS B 46 -7.988 2.849 -12.496 1.00 1.56 H new ATOM 0 HG2 LYS B 46 -6.818 2.801 -14.797 1.00 0.92 H new ATOM 0 HG3 LYS B 46 -5.382 2.231 -13.971 1.00 0.92 H new ATOM 0 HD2 LYS B 46 -6.218 0.114 -13.973 1.00 1.05 H new ATOM 0 HD3 LYS B 46 -7.569 0.645 -12.992 1.00 1.05 H new ATOM 0 HE2 LYS B 46 -8.974 0.996 -14.858 1.00 3.40 H new ATOM 0 HE3 LYS B 46 -7.633 1.273 -15.951 1.00 3.40 H new ATOM 0 HZ1 LYS B 46 -8.635 -0.900 -16.327 1.00 3.89 H new ATOM 0 HZ2 LYS B 46 -7.039 -1.083 -15.777 1.00 3.89 H new ATOM 0 HZ3 LYS B 46 -8.339 -1.352 -14.717 1.00 3.89 H new ATOM 2119 N ILE B 47 -8.438 5.269 -11.426 1.00 1.37 N ATOM 2120 CA ILE B 47 -9.069 5.963 -10.272 1.00 1.35 C ATOM 2121 C ILE B 47 -10.509 5.459 -10.122 1.00 1.50 C ATOM 2122 O ILE B 47 -11.118 5.014 -11.074 1.00 1.33 O ATOM 2123 CB ILE B 47 -9.052 7.483 -10.519 1.00 1.47 C ATOM 2124 CG1 ILE B 47 -9.058 8.224 -9.182 1.00 1.29 C ATOM 2125 CG2 ILE B 47 -10.279 7.906 -11.330 1.00 4.07 C ATOM 2126 CD1 ILE B 47 -7.840 9.142 -9.104 1.00 1.49 C ATOM 0 H ILE B 47 -9.094 4.861 -12.092 1.00 1.37 H new ATOM 0 HA ILE B 47 -8.518 5.754 -9.355 1.00 1.35 H new ATOM 0 HB ILE B 47 -8.150 7.733 -11.077 1.00 1.47 H new ATOM 0 HG12 ILE B 47 -9.973 8.807 -9.081 1.00 1.29 H new ATOM 0 HG13 ILE B 47 -9.042 7.510 -8.358 1.00 1.29 H new ATOM 0 HG21 ILE B 47 -10.252 8.983 -11.496 1.00 4.07 H new ATOM 0 HG22 ILE B 47 -10.276 7.391 -12.290 1.00 4.07 H new ATOM 0 HG23 ILE B 47 -11.185 7.646 -10.782 1.00 4.07 H new ATOM 0 HD11 ILE B 47 -7.843 9.671 -8.151 1.00 1.49 H new ATOM 0 HD12 ILE B 47 -6.930 8.547 -9.186 1.00 1.49 H new ATOM 0 HD13 ILE B 47 -7.876 9.864 -9.920 1.00 1.49 H new ATOM 2138 N THR B 48 -11.059 5.522 -8.943 1.00 2.04 N ATOM 2139 CA THR B 48 -12.456 5.042 -8.758 1.00 2.22 C ATOM 2140 C THR B 48 -13.422 6.221 -8.872 1.00 2.65 C ATOM 2141 O THR B 48 -13.096 7.343 -8.533 1.00 3.44 O ATOM 2142 CB THR B 48 -12.601 4.396 -7.379 1.00 2.86 C ATOM 2143 OG1 THR B 48 -11.320 4.009 -6.902 1.00 3.30 O ATOM 2144 CG2 THR B 48 -13.503 3.165 -7.482 1.00 2.22 C ATOM 0 H THR B 48 -10.605 5.883 -8.104 1.00 2.04 H new ATOM 0 HA THR B 48 -12.688 4.306 -9.528 1.00 2.22 H new ATOM 0 HB THR B 48 -13.045 5.112 -6.687 1.00 2.86 H new ATOM 0 HG1 THR B 48 -11.193 3.048 -7.048 1.00 3.30 H new ATOM 0 HG21 THR B 48 -13.605 2.706 -6.499 1.00 2.22 H new ATOM 0 HG22 THR B 48 -14.486 3.463 -7.847 1.00 2.22 H new ATOM 0 HG23 THR B 48 -13.062 2.447 -8.173 1.00 2.22 H new ATOM 2152 N LEU B 49 -14.609 5.973 -9.346 1.00 2.30 N ATOM 2153 CA LEU B 49 -15.606 7.068 -9.486 1.00 2.76 C ATOM 2154 C LEU B 49 -16.824 6.740 -8.619 1.00 3.25 C ATOM 2155 O LEU B 49 -17.541 5.793 -8.872 1.00 3.93 O ATOM 2156 CB LEU B 49 -16.030 7.186 -10.955 1.00 2.56 C ATOM 2157 CG LEU B 49 -15.932 8.639 -11.405 1.00 2.51 C ATOM 2158 CD1 LEU B 49 -16.861 9.506 -10.551 1.00 4.57 C ATOM 2159 CD2 LEU B 49 -14.488 9.124 -11.246 1.00 2.12 C ATOM 0 H LEU B 49 -14.933 5.053 -9.644 1.00 2.30 H new ATOM 0 HA LEU B 49 -15.171 8.014 -9.164 1.00 2.76 H new ATOM 0 HB2 LEU B 49 -15.393 6.559 -11.579 1.00 2.56 H new ATOM 0 HB3 LEU B 49 -17.051 6.825 -11.078 1.00 2.56 H new ATOM 0 HG LEU B 49 -16.229 8.716 -12.451 1.00 2.51 H new ATOM 0 HD11 LEU B 49 -16.789 10.544 -10.875 1.00 4.57 H new ATOM 0 HD12 LEU B 49 -17.888 9.160 -10.666 1.00 4.57 H new ATOM 0 HD13 LEU B 49 -16.568 9.431 -9.504 1.00 4.57 H new ATOM 0 HD21 LEU B 49 -14.416 10.163 -11.567 1.00 2.12 H new ATOM 0 HD22 LEU B 49 -14.191 9.046 -10.200 1.00 2.12 H new ATOM 0 HD23 LEU B 49 -13.828 8.508 -11.857 1.00 2.12 H new ATOM 2171 N ASP B 50 -17.056 7.509 -7.590 1.00 2.95 N ATOM 2172 CA ASP B 50 -18.220 7.234 -6.700 1.00 3.29 C ATOM 2173 C ASP B 50 -19.502 7.141 -7.531 1.00 3.53 C ATOM 2174 O ASP B 50 -19.634 7.775 -8.561 1.00 3.44 O ATOM 2175 CB ASP B 50 -18.358 8.364 -5.678 1.00 3.41 C ATOM 2176 CG ASP B 50 -18.166 7.802 -4.268 1.00 3.68 C ATOM 2177 OD1 ASP B 50 -17.039 7.485 -3.926 1.00 3.50 O ATOM 2178 OD2 ASP B 50 -19.150 7.700 -3.554 1.00 4.77 O ATOM 0 H ASP B 50 -16.490 8.316 -7.327 1.00 2.95 H new ATOM 0 HA ASP B 50 -18.059 6.288 -6.183 1.00 3.29 H new ATOM 0 HB2 ASP B 50 -17.618 9.140 -5.876 1.00 3.41 H new ATOM 0 HB3 ASP B 50 -19.340 8.830 -5.765 1.00 3.41 H new ATOM 2183 N GLU B 51 -20.448 6.357 -7.090 1.00 3.85 N ATOM 2184 CA GLU B 51 -21.722 6.224 -7.850 1.00 4.17 C ATOM 2185 C GLU B 51 -22.434 7.577 -7.889 1.00 4.10 C ATOM 2186 O GLU B 51 -22.813 8.120 -6.870 1.00 4.08 O ATOM 2187 CB GLU B 51 -22.622 5.194 -7.163 1.00 4.49 C ATOM 2188 CG GLU B 51 -23.549 4.554 -8.199 1.00 5.07 C ATOM 2189 CD GLU B 51 -24.987 4.547 -7.672 1.00 5.09 C ATOM 2190 OE1 GLU B 51 -25.221 5.142 -6.633 1.00 3.74 O ATOM 2191 OE2 GLU B 51 -25.830 3.946 -8.318 1.00 6.49 O ATOM 0 H GLU B 51 -20.393 5.803 -6.236 1.00 3.85 H new ATOM 0 HA GLU B 51 -21.506 5.896 -8.867 1.00 4.17 H new ATOM 0 HB2 GLU B 51 -22.014 4.428 -6.681 1.00 4.49 H new ATOM 0 HB3 GLU B 51 -23.210 5.674 -6.380 1.00 4.49 H new ATOM 0 HG2 GLU B 51 -23.498 5.107 -9.137 1.00 5.07 H new ATOM 0 HG3 GLU B 51 -23.224 3.535 -8.411 1.00 5.07 H new ATOM 2198 N GLY B 52 -22.616 8.127 -9.057 1.00 4.11 N ATOM 2199 CA GLY B 52 -23.301 9.446 -9.160 1.00 4.04 C ATOM 2200 C GLY B 52 -22.255 10.559 -9.230 1.00 3.54 C ATOM 2201 O GLY B 52 -22.539 11.666 -9.642 1.00 3.65 O ATOM 0 H GLY B 52 -22.320 7.721 -9.945 1.00 4.11 H new ATOM 0 HA2 GLY B 52 -23.934 9.471 -10.047 1.00 4.04 H new ATOM 0 HA3 GLY B 52 -23.952 9.598 -8.299 1.00 4.04 H new ATOM 2205 N GLN B 53 -21.044 10.276 -8.832 1.00 3.06 N ATOM 2206 CA GLN B 53 -19.984 11.319 -8.878 1.00 2.73 C ATOM 2207 C GLN B 53 -19.532 11.519 -10.329 1.00 2.80 C ATOM 2208 O GLN B 53 -19.480 10.577 -11.093 1.00 2.99 O ATOM 2209 CB GLN B 53 -18.791 10.873 -8.029 1.00 2.42 C ATOM 2210 CG GLN B 53 -18.669 11.779 -6.803 1.00 2.52 C ATOM 2211 CD GLN B 53 -17.225 11.764 -6.298 1.00 0.86 C ATOM 2212 OE1 GLN B 53 -16.301 11.600 -7.069 1.00 0.91 O ATOM 2213 NE2 GLN B 53 -16.990 11.930 -5.024 1.00 0.91 N ATOM 0 H GLN B 53 -20.745 9.368 -8.477 1.00 3.06 H new ATOM 0 HA GLN B 53 -20.378 12.257 -8.485 1.00 2.73 H new ATOM 0 HB2 GLN B 53 -18.921 9.837 -7.717 1.00 2.42 H new ATOM 0 HB3 GLN B 53 -17.875 10.916 -8.619 1.00 2.42 H new ATOM 0 HG2 GLN B 53 -18.965 12.796 -7.059 1.00 2.52 H new ATOM 0 HG3 GLN B 53 -19.344 11.438 -6.017 1.00 2.52 H new ATOM 0 HE21 GLN B 53 -17.766 12.068 -4.376 1.00 0.91 H new ATOM 0 HE22 GLN B 53 -16.031 11.922 -4.677 1.00 0.91 H new ATOM 2222 N PRO B 54 -19.221 12.746 -10.665 1.00 2.70 N ATOM 2223 CA PRO B 54 -18.771 13.107 -12.019 1.00 2.85 C ATOM 2224 C PRO B 54 -17.302 12.728 -12.216 1.00 2.33 C ATOM 2225 O PRO B 54 -16.440 13.145 -11.468 1.00 2.46 O ATOM 2226 CB PRO B 54 -18.953 14.623 -12.068 1.00 3.16 C ATOM 2227 CG PRO B 54 -18.950 15.106 -10.602 1.00 2.76 C ATOM 2228 CD PRO B 54 -19.290 13.884 -9.729 1.00 2.59 C ATOM 0 HA PRO B 54 -19.324 12.591 -12.804 1.00 2.85 H new ATOM 0 HB2 PRO B 54 -18.149 15.093 -12.634 1.00 3.16 H new ATOM 0 HB3 PRO B 54 -19.888 14.887 -12.563 1.00 3.16 H new ATOM 0 HG2 PRO B 54 -17.976 15.515 -10.332 1.00 2.76 H new ATOM 0 HG3 PRO B 54 -19.681 15.901 -10.456 1.00 2.76 H new ATOM 0 HD2 PRO B 54 -18.581 13.770 -8.909 1.00 2.59 H new ATOM 0 HD3 PRO B 54 -20.281 13.975 -9.284 1.00 2.59 H new ATOM 2236 N ALA B 55 -17.011 11.937 -13.214 1.00 1.73 N ATOM 2237 CA ALA B 55 -15.602 11.527 -13.461 1.00 1.04 C ATOM 2238 C ALA B 55 -14.663 12.717 -13.255 1.00 1.11 C ATOM 2239 O ALA B 55 -15.007 13.850 -13.529 1.00 1.72 O ATOM 2240 CB ALA B 55 -15.474 11.025 -14.897 1.00 0.79 C ATOM 0 H ALA B 55 -17.693 11.557 -13.870 1.00 1.73 H new ATOM 0 HA ALA B 55 -15.330 10.736 -12.762 1.00 1.04 H new ATOM 0 HB1 ALA B 55 -14.444 10.722 -15.086 1.00 0.79 H new ATOM 0 HB2 ALA B 55 -16.136 10.172 -15.044 1.00 0.79 H new ATOM 0 HB3 ALA B 55 -15.751 11.822 -15.587 1.00 0.79 H new ATOM 2246 N TYR B 56 -13.474 12.464 -12.779 1.00 0.80 N ATOM 2247 CA TYR B 56 -12.504 13.572 -12.558 1.00 1.23 C ATOM 2248 C TYR B 56 -12.467 14.458 -13.805 1.00 1.21 C ATOM 2249 O TYR B 56 -11.808 14.151 -14.777 1.00 1.51 O ATOM 2250 CB TYR B 56 -11.111 12.987 -12.288 1.00 1.44 C ATOM 2251 CG TYR B 56 -11.148 12.177 -11.006 1.00 1.63 C ATOM 2252 CD1 TYR B 56 -11.608 10.855 -11.030 1.00 1.33 C ATOM 2253 CD2 TYR B 56 -10.746 12.756 -9.798 1.00 2.34 C ATOM 2254 CE1 TYR B 56 -11.663 10.113 -9.848 1.00 1.58 C ATOM 2255 CE2 TYR B 56 -10.803 12.012 -8.613 1.00 2.45 C ATOM 2256 CZ TYR B 56 -11.261 10.691 -8.639 1.00 1.98 C ATOM 2257 OH TYR B 56 -11.317 9.958 -7.472 1.00 2.19 O ATOM 0 H TYR B 56 -13.133 11.535 -12.533 1.00 0.80 H new ATOM 0 HA TYR B 56 -12.810 14.168 -11.698 1.00 1.23 H new ATOM 0 HB2 TYR B 56 -10.801 12.357 -13.121 1.00 1.44 H new ATOM 0 HB3 TYR B 56 -10.377 13.789 -12.204 1.00 1.44 H new ATOM 0 HD1 TYR B 56 -11.920 10.409 -11.963 1.00 1.33 H new ATOM 0 HD2 TYR B 56 -10.392 13.776 -9.779 1.00 2.34 H new ATOM 0 HE1 TYR B 56 -12.016 9.093 -9.867 1.00 1.58 H new ATOM 0 HE2 TYR B 56 -10.493 12.458 -7.679 1.00 2.45 H new ATOM 0 HH TYR B 56 -11.838 9.142 -7.623 1.00 2.19 H new ATOM 2267 N ALA B 57 -13.181 15.551 -13.790 1.00 0.96 N ATOM 2268 CA ALA B 57 -13.196 16.451 -14.978 1.00 0.90 C ATOM 2269 C ALA B 57 -11.765 16.671 -15.477 1.00 0.86 C ATOM 2270 O ALA B 57 -10.816 16.271 -14.831 1.00 1.03 O ATOM 2271 CB ALA B 57 -13.812 17.797 -14.590 1.00 1.16 C ATOM 0 H ALA B 57 -13.755 15.860 -13.005 1.00 0.96 H new ATOM 0 HA ALA B 57 -13.788 15.993 -15.770 1.00 0.90 H new ATOM 0 HB1 ALA B 57 -13.823 18.456 -15.458 1.00 1.16 H new ATOM 0 HB2 ALA B 57 -14.832 17.642 -14.238 1.00 1.16 H new ATOM 0 HB3 ALA B 57 -13.220 18.253 -13.796 1.00 1.16 H new ATOM 2277 N PRO B 58 -11.655 17.307 -16.616 1.00 0.78 N ATOM 2278 CA PRO B 58 -10.354 17.606 -17.237 1.00 0.64 C ATOM 2279 C PRO B 58 -9.700 18.802 -16.543 1.00 0.86 C ATOM 2280 O PRO B 58 -10.170 19.919 -16.637 1.00 1.43 O ATOM 2281 CB PRO B 58 -10.716 17.943 -18.686 1.00 0.48 C ATOM 2282 CG PRO B 58 -12.204 18.370 -18.676 1.00 1.99 C ATOM 2283 CD PRO B 58 -12.819 17.789 -17.389 1.00 1.39 C ATOM 0 HA PRO B 58 -9.642 16.784 -17.164 1.00 0.64 H new ATOM 0 HB2 PRO B 58 -10.084 18.745 -19.068 1.00 0.48 H new ATOM 0 HB3 PRO B 58 -10.564 17.081 -19.335 1.00 0.48 H new ATOM 0 HG2 PRO B 58 -12.296 19.456 -18.693 1.00 1.99 H new ATOM 0 HG3 PRO B 58 -12.722 17.992 -19.558 1.00 1.99 H new ATOM 0 HD2 PRO B 58 -13.377 18.546 -16.838 1.00 1.39 H new ATOM 0 HD3 PRO B 58 -13.513 16.978 -17.610 1.00 1.39 H new ATOM 2291 N GLY B 59 -8.624 18.577 -15.841 1.00 0.57 N ATOM 2292 CA GLY B 59 -7.949 19.704 -15.139 1.00 0.76 C ATOM 2293 C GLY B 59 -6.770 19.173 -14.324 1.00 0.90 C ATOM 2294 O GLY B 59 -6.487 17.992 -14.326 1.00 0.70 O ATOM 0 H GLY B 59 -8.184 17.664 -15.723 1.00 0.57 H new ATOM 0 HA2 GLY B 59 -7.600 20.440 -15.864 1.00 0.76 H new ATOM 0 HA3 GLY B 59 -8.656 20.213 -14.484 1.00 0.76 H new ATOM 2298 N LEU B 60 -6.086 20.032 -13.615 1.00 1.24 N ATOM 2299 CA LEU B 60 -4.938 19.567 -12.785 1.00 1.48 C ATOM 2300 C LEU B 60 -5.501 18.822 -11.576 1.00 1.83 C ATOM 2301 O LEU B 60 -6.664 18.952 -11.258 1.00 2.08 O ATOM 2302 CB LEU B 60 -4.122 20.775 -12.310 1.00 1.32 C ATOM 2303 CG LEU B 60 -2.716 20.744 -12.920 1.00 2.00 C ATOM 2304 CD1 LEU B 60 -2.407 22.103 -13.552 1.00 1.28 C ATOM 2305 CD2 LEU B 60 -1.693 20.449 -11.819 1.00 2.78 C ATOM 0 H LEU B 60 -6.273 21.034 -13.575 1.00 1.24 H new ATOM 0 HA LEU B 60 -4.290 18.912 -13.367 1.00 1.48 H new ATOM 0 HB2 LEU B 60 -4.628 21.698 -12.594 1.00 1.32 H new ATOM 0 HB3 LEU B 60 -4.053 20.770 -11.222 1.00 1.32 H new ATOM 0 HG LEU B 60 -2.665 19.968 -13.683 1.00 2.00 H new ATOM 0 HD11 LEU B 60 -1.408 22.083 -13.986 1.00 1.28 H new ATOM 0 HD12 LEU B 60 -3.138 22.316 -14.332 1.00 1.28 H new ATOM 0 HD13 LEU B 60 -2.455 22.879 -12.788 1.00 1.28 H new ATOM 0 HD21 LEU B 60 -0.692 20.426 -12.249 1.00 2.78 H new ATOM 0 HD22 LEU B 60 -1.743 21.227 -11.058 1.00 2.78 H new ATOM 0 HD23 LEU B 60 -1.915 19.483 -11.365 1.00 2.78 H new ATOM 2317 N TYR B 61 -4.707 18.032 -10.907 1.00 1.90 N ATOM 2318 CA TYR B 61 -5.238 17.286 -9.742 1.00 2.08 C ATOM 2319 C TYR B 61 -4.176 17.094 -8.678 1.00 1.99 C ATOM 2320 O TYR B 61 -2.990 17.228 -8.909 1.00 1.80 O ATOM 2321 CB TYR B 61 -5.734 15.917 -10.195 1.00 2.42 C ATOM 2322 CG TYR B 61 -7.141 16.072 -10.698 1.00 2.14 C ATOM 2323 CD1 TYR B 61 -7.365 16.586 -11.976 1.00 1.61 C ATOM 2324 CD2 TYR B 61 -8.218 15.730 -9.874 1.00 2.48 C ATOM 2325 CE1 TYR B 61 -8.670 16.758 -12.436 1.00 1.33 C ATOM 2326 CE2 TYR B 61 -9.525 15.905 -10.332 1.00 2.22 C ATOM 2327 CZ TYR B 61 -9.749 16.418 -11.614 1.00 1.57 C ATOM 2328 OH TYR B 61 -11.040 16.589 -12.074 1.00 1.34 O ATOM 0 H TYR B 61 -3.722 17.874 -11.118 1.00 1.90 H new ATOM 0 HA TYR B 61 -6.056 17.867 -9.317 1.00 2.08 H new ATOM 0 HB2 TYR B 61 -5.091 15.520 -10.980 1.00 2.42 H new ATOM 0 HB3 TYR B 61 -5.702 15.208 -9.368 1.00 2.42 H new ATOM 0 HD1 TYR B 61 -6.529 16.850 -12.607 1.00 1.61 H new ATOM 0 HD2 TYR B 61 -8.039 15.332 -8.886 1.00 2.48 H new ATOM 0 HE1 TYR B 61 -8.847 17.153 -13.425 1.00 1.33 H new ATOM 0 HE2 TYR B 61 -10.360 15.645 -9.699 1.00 2.22 H new ATOM 0 HH TYR B 61 -11.038 16.610 -13.054 1.00 1.34 H new ATOM 2338 N THR B 62 -4.621 16.741 -7.517 1.00 2.18 N ATOM 2339 CA THR B 62 -3.709 16.479 -6.394 1.00 1.89 C ATOM 2340 C THR B 62 -4.359 15.397 -5.566 1.00 1.85 C ATOM 2341 O THR B 62 -5.463 15.550 -5.079 1.00 1.47 O ATOM 2342 CB THR B 62 -3.524 17.732 -5.553 1.00 1.63 C ATOM 2343 OG1 THR B 62 -4.705 17.979 -4.802 1.00 1.73 O ATOM 2344 CG2 THR B 62 -3.239 18.915 -6.471 1.00 3.45 C ATOM 0 H THR B 62 -5.610 16.620 -7.296 1.00 2.18 H new ATOM 0 HA THR B 62 -2.725 16.177 -6.752 1.00 1.89 H new ATOM 0 HB THR B 62 -2.687 17.595 -4.868 1.00 1.63 H new ATOM 0 HG1 THR B 62 -4.585 18.786 -4.259 1.00 1.73 H new ATOM 0 HG21 THR B 62 -3.106 19.816 -5.872 1.00 3.45 H new ATOM 0 HG22 THR B 62 -2.331 18.721 -7.043 1.00 3.45 H new ATOM 0 HG23 THR B 62 -4.076 19.055 -7.155 1.00 3.45 H new ATOM 2352 N VAL B 63 -3.715 14.293 -5.423 1.00 2.49 N ATOM 2353 CA VAL B 63 -4.342 13.206 -4.646 1.00 2.44 C ATOM 2354 C VAL B 63 -4.768 13.757 -3.294 1.00 2.40 C ATOM 2355 O VAL B 63 -4.424 14.861 -2.923 1.00 2.49 O ATOM 2356 CB VAL B 63 -3.370 12.050 -4.473 1.00 2.48 C ATOM 2357 CG1 VAL B 63 -4.130 10.835 -3.952 1.00 2.54 C ATOM 2358 CG2 VAL B 63 -2.744 11.715 -5.832 1.00 2.46 C ATOM 0 H VAL B 63 -2.791 14.092 -5.804 1.00 2.49 H new ATOM 0 HA VAL B 63 -5.216 12.829 -5.177 1.00 2.44 H new ATOM 0 HB VAL B 63 -2.587 12.324 -3.766 1.00 2.48 H new ATOM 0 HG11 VAL B 63 -3.440 10.001 -3.825 1.00 2.54 H new ATOM 0 HG12 VAL B 63 -4.588 11.076 -2.993 1.00 2.54 H new ATOM 0 HG13 VAL B 63 -4.906 10.558 -4.665 1.00 2.54 H new ATOM 0 HG21 VAL B 63 -2.045 10.886 -5.716 1.00 2.46 H new ATOM 0 HG22 VAL B 63 -3.528 11.433 -6.534 1.00 2.46 H new ATOM 0 HG23 VAL B 63 -2.213 12.587 -6.213 1.00 2.46 H new ATOM 2368 N HIS B 64 -5.526 13.006 -2.563 1.00 2.55 N ATOM 2369 CA HIS B 64 -5.991 13.493 -1.240 1.00 2.54 C ATOM 2370 C HIS B 64 -5.765 12.400 -0.197 1.00 2.45 C ATOM 2371 O HIS B 64 -6.187 11.270 -0.370 1.00 2.03 O ATOM 2372 CB HIS B 64 -7.481 13.833 -1.318 1.00 2.14 C ATOM 2373 CG HIS B 64 -7.818 14.872 -0.283 1.00 2.52 C ATOM 2374 ND1 HIS B 64 -7.221 14.889 0.967 1.00 3.65 N ATOM 2375 CD2 HIS B 64 -8.701 15.925 -0.290 1.00 2.17 C ATOM 2376 CE1 HIS B 64 -7.748 15.911 1.657 1.00 3.81 C ATOM 2377 NE2 HIS B 64 -8.656 16.579 0.939 1.00 2.75 N ATOM 0 H HIS B 64 -5.847 12.073 -2.821 1.00 2.55 H new ATOM 0 HA HIS B 64 -5.434 14.386 -0.958 1.00 2.54 H new ATOM 0 HB2 HIS B 64 -7.728 14.203 -2.313 1.00 2.14 H new ATOM 0 HB3 HIS B 64 -8.078 12.936 -1.155 1.00 2.14 H new ATOM 0 HD2 HIS B 64 -9.333 16.203 -1.121 1.00 2.17 H new ATOM 0 HE1 HIS B 64 -7.472 16.164 2.670 1.00 3.81 H new ATOM 0 HE2 HIS B 64 -9.199 17.392 1.229 1.00 2.75 H new ATOM 2385 N LEU B 65 -5.105 12.723 0.886 1.00 3.00 N ATOM 2386 CA LEU B 65 -4.855 11.701 1.935 1.00 3.05 C ATOM 2387 C LEU B 65 -6.153 11.395 2.687 1.00 1.74 C ATOM 2388 O LEU B 65 -6.172 10.588 3.595 1.00 1.18 O ATOM 2389 CB LEU B 65 -3.792 12.210 2.913 1.00 4.19 C ATOM 2390 CG LEU B 65 -4.407 13.238 3.844 1.00 2.67 C ATOM 2391 CD1 LEU B 65 -4.400 12.695 5.276 1.00 1.93 C ATOM 2392 CD2 LEU B 65 -3.604 14.537 3.782 1.00 4.05 C ATOM 0 H LEU B 65 -4.731 13.651 1.085 1.00 3.00 H new ATOM 0 HA LEU B 65 -4.496 10.787 1.463 1.00 3.05 H new ATOM 0 HB2 LEU B 65 -3.386 11.379 3.490 1.00 4.19 H new ATOM 0 HB3 LEU B 65 -2.961 12.653 2.364 1.00 4.19 H new ATOM 0 HG LEU B 65 -5.433 13.438 3.536 1.00 2.67 H new ATOM 0 HD11 LEU B 65 -4.841 13.432 5.947 1.00 1.93 H new ATOM 0 HD12 LEU B 65 -4.980 11.773 5.318 1.00 1.93 H new ATOM 0 HD13 LEU B 65 -3.374 12.493 5.584 1.00 1.93 H new ATOM 0 HD21 LEU B 65 -4.049 15.272 4.452 1.00 4.05 H new ATOM 0 HD22 LEU B 65 -2.576 14.344 4.087 1.00 4.05 H new ATOM 0 HD23 LEU B 65 -3.614 14.922 2.762 1.00 4.05 H new ATOM 2404 N SER B 66 -7.250 12.004 2.306 1.00 1.55 N ATOM 2405 CA SER B 66 -8.526 11.698 2.999 1.00 1.07 C ATOM 2406 C SER B 66 -8.758 10.194 2.877 1.00 0.61 C ATOM 2407 O SER B 66 -9.510 9.597 3.621 1.00 1.49 O ATOM 2408 CB SER B 66 -9.673 12.453 2.327 1.00 1.79 C ATOM 2409 OG SER B 66 -10.839 11.640 2.334 1.00 0.89 O ATOM 0 H SER B 66 -7.311 12.690 1.554 1.00 1.55 H new ATOM 0 HA SER B 66 -8.481 12.000 4.045 1.00 1.07 H new ATOM 0 HB2 SER B 66 -9.865 13.388 2.852 1.00 1.79 H new ATOM 0 HB3 SER B 66 -9.403 12.712 1.303 1.00 1.79 H new ATOM 0 HG SER B 66 -11.577 12.122 1.905 1.00 0.89 H new ATOM 2415 N SER B 67 -8.101 9.585 1.926 1.00 0.83 N ATOM 2416 CA SER B 67 -8.248 8.122 1.715 1.00 1.84 C ATOM 2417 C SER B 67 -7.119 7.376 2.436 1.00 1.57 C ATOM 2418 O SER B 67 -7.136 6.165 2.545 1.00 2.29 O ATOM 2419 CB SER B 67 -8.172 7.821 0.219 1.00 2.77 C ATOM 2420 OG SER B 67 -9.190 8.547 -0.458 1.00 3.21 O ATOM 0 H SER B 67 -7.462 10.048 1.280 1.00 0.83 H new ATOM 0 HA SER B 67 -9.209 7.795 2.113 1.00 1.84 H new ATOM 0 HB2 SER B 67 -7.192 8.097 -0.170 1.00 2.77 H new ATOM 0 HB3 SER B 67 -8.294 6.752 0.045 1.00 2.77 H new ATOM 0 HG SER B 67 -9.634 7.961 -1.106 1.00 3.21 H new ATOM 2426 N PHE B 68 -6.128 8.084 2.913 1.00 0.67 N ATOM 2427 CA PHE B 68 -4.991 7.413 3.604 1.00 0.59 C ATOM 2428 C PHE B 68 -5.407 7.027 5.022 1.00 0.39 C ATOM 2429 O PHE B 68 -6.299 7.614 5.602 1.00 0.28 O ATOM 2430 CB PHE B 68 -3.793 8.368 3.662 1.00 0.70 C ATOM 2431 CG PHE B 68 -3.456 8.875 2.274 1.00 1.13 C ATOM 2432 CD1 PHE B 68 -4.164 8.422 1.147 1.00 2.34 C ATOM 2433 CD2 PHE B 68 -2.453 9.839 2.123 1.00 1.80 C ATOM 2434 CE1 PHE B 68 -3.863 8.934 -0.117 1.00 2.73 C ATOM 2435 CE2 PHE B 68 -2.158 10.352 0.858 1.00 1.95 C ATOM 2436 CZ PHE B 68 -2.863 9.900 -0.260 1.00 1.94 C ATOM 0 H PHE B 68 -6.059 9.100 2.853 1.00 0.67 H new ATOM 0 HA PHE B 68 -4.713 6.514 3.054 1.00 0.59 H new ATOM 0 HB2 PHE B 68 -4.021 9.208 4.318 1.00 0.70 H new ATOM 0 HB3 PHE B 68 -2.931 7.855 4.088 1.00 0.70 H new ATOM 0 HD1 PHE B 68 -4.940 7.679 1.259 1.00 2.34 H new ATOM 0 HD2 PHE B 68 -1.906 10.187 2.987 1.00 1.80 H new ATOM 0 HE1 PHE B 68 -4.403 8.583 -0.984 1.00 2.73 H new ATOM 0 HE2 PHE B 68 -1.385 11.098 0.744 1.00 1.95 H new ATOM 0 HZ PHE B 68 -2.635 10.298 -1.238 1.00 1.94 H new ATOM 2446 N LYS B 69 -4.763 6.044 5.586 1.00 0.56 N ATOM 2447 CA LYS B 69 -5.113 5.616 6.969 1.00 0.72 C ATOM 2448 C LYS B 69 -3.869 5.051 7.654 1.00 0.80 C ATOM 2449 O LYS B 69 -2.882 4.742 7.016 1.00 0.80 O ATOM 2450 CB LYS B 69 -6.198 4.539 6.917 1.00 0.90 C ATOM 2451 CG LYS B 69 -7.293 4.961 5.935 1.00 2.26 C ATOM 2452 CD LYS B 69 -8.528 4.079 6.132 1.00 2.61 C ATOM 2453 CE LYS B 69 -8.187 2.633 5.763 1.00 1.50 C ATOM 2454 NZ LYS B 69 -8.663 1.719 6.840 1.00 1.14 N ATOM 0 H LYS B 69 -4.007 5.517 5.148 1.00 0.56 H new ATOM 0 HA LYS B 69 -5.483 6.474 7.530 1.00 0.72 H new ATOM 0 HB2 LYS B 69 -5.765 3.587 6.608 1.00 0.90 H new ATOM 0 HB3 LYS B 69 -6.623 4.389 7.909 1.00 0.90 H new ATOM 0 HG2 LYS B 69 -7.553 6.008 6.092 1.00 2.26 H new ATOM 0 HG3 LYS B 69 -6.931 4.873 4.911 1.00 2.26 H new ATOM 0 HD2 LYS B 69 -8.864 4.132 7.168 1.00 2.61 H new ATOM 0 HD3 LYS B 69 -9.348 4.440 5.512 1.00 2.61 H new ATOM 0 HE2 LYS B 69 -8.654 2.369 4.814 1.00 1.50 H new ATOM 0 HE3 LYS B 69 -7.111 2.525 5.629 1.00 1.50 H new ATOM 0 HZ1 LYS B 69 -8.431 0.737 6.589 1.00 1.14 H new ATOM 0 HZ2 LYS B 69 -8.197 1.967 7.736 1.00 1.14 H new ATOM 0 HZ3 LYS B 69 -9.693 1.815 6.947 1.00 1.14 H new ATOM 2468 N VAL B 70 -3.911 4.908 8.948 1.00 0.84 N ATOM 2469 CA VAL B 70 -2.733 4.357 9.675 1.00 1.09 C ATOM 2470 C VAL B 70 -2.954 2.866 9.929 1.00 1.54 C ATOM 2471 O VAL B 70 -3.878 2.473 10.613 1.00 1.97 O ATOM 2472 CB VAL B 70 -2.562 5.079 11.008 1.00 1.31 C ATOM 2473 CG1 VAL B 70 -1.096 5.017 11.439 1.00 2.02 C ATOM 2474 CG2 VAL B 70 -2.992 6.541 10.864 1.00 1.19 C ATOM 0 H VAL B 70 -4.710 5.149 9.535 1.00 0.84 H new ATOM 0 HA VAL B 70 -1.836 4.501 9.073 1.00 1.09 H new ATOM 0 HB VAL B 70 -3.183 4.594 11.761 1.00 1.31 H new ATOM 0 HG11 VAL B 70 -0.975 5.533 12.391 1.00 2.02 H new ATOM 0 HG12 VAL B 70 -0.793 3.976 11.549 1.00 2.02 H new ATOM 0 HG13 VAL B 70 -0.474 5.498 10.684 1.00 2.02 H new ATOM 0 HG21 VAL B 70 -2.868 7.052 11.819 1.00 1.19 H new ATOM 0 HG22 VAL B 70 -2.376 7.029 10.108 1.00 1.19 H new ATOM 0 HG23 VAL B 70 -4.039 6.584 10.562 1.00 1.19 H new ATOM 2484 N GLY B 71 -2.116 2.032 9.380 1.00 1.56 N ATOM 2485 CA GLY B 71 -2.282 0.566 9.586 1.00 2.08 C ATOM 2486 C GLY B 71 -1.737 0.176 10.961 1.00 2.53 C ATOM 2487 O GLY B 71 -1.131 0.975 11.647 1.00 2.45 O ATOM 0 H GLY B 71 -1.323 2.302 8.798 1.00 1.56 H new ATOM 0 HA2 GLY B 71 -3.335 0.295 9.511 1.00 2.08 H new ATOM 0 HA3 GLY B 71 -1.755 0.017 8.806 1.00 2.08 H new ATOM 2491 N GLN B 72 -1.943 -1.047 11.371 1.00 3.20 N ATOM 2492 CA GLN B 72 -1.433 -1.480 12.699 1.00 3.75 C ATOM 2493 C GLN B 72 0.071 -1.740 12.618 1.00 3.11 C ATOM 2494 O GLN B 72 0.704 -2.116 13.584 1.00 3.34 O ATOM 2495 CB GLN B 72 -2.158 -2.751 13.136 1.00 4.65 C ATOM 2496 CG GLN B 72 -1.627 -3.930 12.330 1.00 4.78 C ATOM 2497 CD GLN B 72 -2.787 -4.650 11.642 1.00 4.87 C ATOM 2498 OE1 GLN B 72 -3.650 -5.200 12.296 1.00 6.74 O ATOM 2499 NE2 GLN B 72 -2.842 -4.670 10.339 1.00 3.55 N ATOM 0 H GLN B 72 -2.442 -1.762 10.843 1.00 3.20 H new ATOM 0 HA GLN B 72 -1.617 -0.692 13.430 1.00 3.75 H new ATOM 0 HB2 GLN B 72 -2.005 -2.924 14.201 1.00 4.65 H new ATOM 0 HB3 GLN B 72 -3.232 -2.643 12.982 1.00 4.65 H new ATOM 0 HG2 GLN B 72 -0.911 -3.581 11.586 1.00 4.78 H new ATOM 0 HG3 GLN B 72 -1.095 -4.620 12.985 1.00 4.78 H new ATOM 0 HE21 GLN B 72 -2.117 -4.208 9.791 1.00 3.55 H new ATOM 0 HE22 GLN B 72 -3.610 -5.148 9.868 1.00 3.55 H new ATOM 2508 N PHE B 73 0.641 -1.533 11.471 1.00 2.35 N ATOM 2509 CA PHE B 73 2.104 -1.756 11.306 1.00 1.67 C ATOM 2510 C PHE B 73 2.853 -0.462 11.634 1.00 1.56 C ATOM 2511 O PHE B 73 4.062 -0.392 11.538 1.00 1.28 O ATOM 2512 CB PHE B 73 2.397 -2.160 9.860 1.00 1.34 C ATOM 2513 CG PHE B 73 2.699 -3.637 9.802 1.00 1.70 C ATOM 2514 CD1 PHE B 73 3.990 -4.098 10.085 1.00 2.29 C ATOM 2515 CD2 PHE B 73 1.688 -4.547 9.467 1.00 2.37 C ATOM 2516 CE1 PHE B 73 4.271 -5.469 10.032 1.00 2.77 C ATOM 2517 CE2 PHE B 73 1.970 -5.918 9.415 1.00 2.90 C ATOM 2518 CZ PHE B 73 3.261 -6.378 9.697 1.00 2.86 C ATOM 0 H PHE B 73 0.156 -1.216 10.632 1.00 2.35 H new ATOM 0 HA PHE B 73 2.431 -2.549 11.979 1.00 1.67 H new ATOM 0 HB2 PHE B 73 1.542 -1.928 9.226 1.00 1.34 H new ATOM 0 HB3 PHE B 73 3.243 -1.590 9.476 1.00 1.34 H new ATOM 0 HD1 PHE B 73 4.769 -3.397 10.344 1.00 2.29 H new ATOM 0 HD2 PHE B 73 0.692 -4.192 9.249 1.00 2.37 H new ATOM 0 HE1 PHE B 73 5.267 -5.825 10.250 1.00 2.77 H new ATOM 0 HE2 PHE B 73 1.191 -6.620 9.157 1.00 2.90 H new ATOM 0 HZ PHE B 73 3.478 -7.435 9.656 1.00 2.86 H new ATOM 2528 N GLY B 74 2.144 0.563 12.021 1.00 1.90 N ATOM 2529 CA GLY B 74 2.813 1.851 12.353 1.00 2.12 C ATOM 2530 C GLY B 74 3.348 2.494 11.074 1.00 1.78 C ATOM 2531 O GLY B 74 4.496 2.883 10.998 1.00 2.62 O ATOM 0 H GLY B 74 1.129 0.563 12.121 1.00 1.90 H new ATOM 0 HA2 GLY B 74 2.108 2.523 12.843 1.00 2.12 H new ATOM 0 HA3 GLY B 74 3.629 1.678 13.055 1.00 2.12 H new ATOM 2535 N SER B 75 2.528 2.610 10.066 1.00 1.26 N ATOM 2536 CA SER B 75 2.998 3.229 8.795 1.00 0.71 C ATOM 2537 C SER B 75 1.792 3.669 7.962 1.00 0.53 C ATOM 2538 O SER B 75 0.887 2.899 7.708 1.00 0.64 O ATOM 2539 CB SER B 75 3.818 2.207 8.008 1.00 0.44 C ATOM 2540 OG SER B 75 5.065 2.003 8.661 1.00 2.78 O ATOM 0 H SER B 75 1.555 2.304 10.067 1.00 1.26 H new ATOM 0 HA SER B 75 3.617 4.098 9.020 1.00 0.71 H new ATOM 0 HB2 SER B 75 3.274 1.265 7.935 1.00 0.44 H new ATOM 0 HB3 SER B 75 3.981 2.560 6.990 1.00 0.44 H new ATOM 0 HG SER B 75 5.141 2.617 9.421 1.00 2.78 H new ATOM 2546 N LEU B 76 1.771 4.903 7.534 1.00 0.55 N ATOM 2547 CA LEU B 76 0.623 5.389 6.717 1.00 0.39 C ATOM 2548 C LEU B 76 0.418 4.454 5.525 1.00 0.48 C ATOM 2549 O LEU B 76 1.336 3.797 5.076 1.00 0.90 O ATOM 2550 CB LEU B 76 0.918 6.803 6.210 1.00 0.26 C ATOM 2551 CG LEU B 76 -0.362 7.637 6.242 1.00 0.25 C ATOM 2552 CD1 LEU B 76 -0.319 8.589 7.439 1.00 1.34 C ATOM 2553 CD2 LEU B 76 -0.475 8.447 4.948 1.00 1.09 C ATOM 0 H LEU B 76 2.499 5.594 7.715 1.00 0.55 H new ATOM 0 HA LEU B 76 -0.279 5.404 7.329 1.00 0.39 H new ATOM 0 HB2 LEU B 76 1.684 7.270 6.830 1.00 0.26 H new ATOM 0 HB3 LEU B 76 1.311 6.761 5.194 1.00 0.26 H new ATOM 0 HG LEU B 76 -1.225 6.977 6.333 1.00 0.25 H new ATOM 0 HD11 LEU B 76 -1.232 9.185 7.463 1.00 1.34 H new ATOM 0 HD12 LEU B 76 -0.238 8.012 8.360 1.00 1.34 H new ATOM 0 HD13 LEU B 76 0.543 9.250 7.348 1.00 1.34 H new ATOM 0 HD21 LEU B 76 -1.388 9.042 4.970 1.00 1.09 H new ATOM 0 HD22 LEU B 76 0.387 9.108 4.856 1.00 1.09 H new ATOM 0 HD23 LEU B 76 -0.505 7.768 4.095 1.00 1.09 H new ATOM 2565 N MET B 77 -0.779 4.388 5.007 1.00 0.38 N ATOM 2566 CA MET B 77 -1.037 3.493 3.844 1.00 0.70 C ATOM 2567 C MET B 77 -2.314 3.940 3.130 1.00 0.95 C ATOM 2568 O MET B 77 -3.391 3.919 3.693 1.00 1.71 O ATOM 2569 CB MET B 77 -1.213 2.053 4.331 1.00 1.16 C ATOM 2570 CG MET B 77 0.094 1.555 4.950 1.00 2.86 C ATOM 2571 SD MET B 77 -0.072 -0.196 5.382 1.00 3.76 S ATOM 2572 CE MET B 77 1.057 -0.852 4.129 1.00 3.14 C ATOM 0 H MET B 77 -1.587 4.914 5.339 1.00 0.38 H new ATOM 0 HA MET B 77 -0.193 3.545 3.157 1.00 0.70 H new ATOM 0 HB2 MET B 77 -2.017 2.003 5.066 1.00 1.16 H new ATOM 0 HB3 MET B 77 -1.501 1.410 3.499 1.00 1.16 H new ATOM 0 HG2 MET B 77 0.917 1.691 4.248 1.00 2.86 H new ATOM 0 HG3 MET B 77 0.334 2.139 5.839 1.00 2.86 H new ATOM 0 HE1 MET B 77 1.106 -1.937 4.216 1.00 3.14 H new ATOM 0 HE2 MET B 77 0.695 -0.584 3.137 1.00 3.14 H new ATOM 0 HE3 MET B 77 2.051 -0.431 4.279 1.00 3.14 H new ATOM 2582 N ILE B 78 -2.203 4.339 1.895 1.00 0.70 N ATOM 2583 CA ILE B 78 -3.411 4.781 1.145 1.00 0.83 C ATOM 2584 C ILE B 78 -4.428 3.638 1.089 1.00 0.88 C ATOM 2585 O ILE B 78 -4.093 2.509 0.790 1.00 0.91 O ATOM 2586 CB ILE B 78 -3.020 5.144 -0.281 1.00 0.84 C ATOM 2587 CG1 ILE B 78 -1.980 6.266 -0.267 1.00 0.75 C ATOM 2588 CG2 ILE B 78 -4.262 5.594 -1.052 1.00 1.06 C ATOM 2589 CD1 ILE B 78 -0.844 5.920 -1.233 1.00 1.52 C ATOM 0 H ILE B 78 -1.328 4.378 1.372 1.00 0.70 H new ATOM 0 HA ILE B 78 -3.844 5.645 1.649 1.00 0.83 H new ATOM 0 HB ILE B 78 -2.589 4.270 -0.770 1.00 0.84 H new ATOM 0 HG12 ILE B 78 -2.443 7.209 -0.556 1.00 0.75 H new ATOM 0 HG13 ILE B 78 -1.587 6.400 0.741 1.00 0.75 H new ATOM 0 HG21 ILE B 78 -3.982 5.854 -2.073 1.00 1.06 H new ATOM 0 HG22 ILE B 78 -4.992 4.785 -1.071 1.00 1.06 H new ATOM 0 HG23 ILE B 78 -4.698 6.465 -0.563 1.00 1.06 H new ATOM 0 HD11 ILE B 78 -0.103 6.719 -1.224 1.00 1.52 H new ATOM 0 HD12 ILE B 78 -0.375 4.986 -0.924 1.00 1.52 H new ATOM 0 HD13 ILE B 78 -1.245 5.808 -2.241 1.00 1.52 H new ATOM 2601 N ASP B 79 -5.670 3.927 1.349 1.00 0.83 N ATOM 2602 CA ASP B 79 -6.718 2.867 1.284 1.00 1.04 C ATOM 2603 C ASP B 79 -7.502 3.048 -0.017 1.00 1.10 C ATOM 2604 O ASP B 79 -8.132 2.138 -0.518 1.00 1.65 O ATOM 2605 CB ASP B 79 -7.663 3.000 2.480 1.00 1.46 C ATOM 2606 CG ASP B 79 -8.530 1.744 2.586 1.00 2.08 C ATOM 2607 OD1 ASP B 79 -7.978 0.659 2.509 1.00 2.40 O ATOM 2608 OD2 ASP B 79 -9.731 1.889 2.742 1.00 2.36 O ATOM 0 H ASP B 79 -6.009 4.854 1.605 1.00 0.83 H new ATOM 0 HA ASP B 79 -6.257 1.880 1.311 1.00 1.04 H new ATOM 0 HB2 ASP B 79 -7.090 3.138 3.397 1.00 1.46 H new ATOM 0 HB3 ASP B 79 -8.293 3.881 2.363 1.00 1.46 H new ATOM 2613 N ARG B 80 -7.444 4.227 -0.564 1.00 1.02 N ATOM 2614 CA ARG B 80 -8.149 4.528 -1.837 1.00 0.97 C ATOM 2615 C ARG B 80 -7.982 6.017 -2.104 1.00 0.94 C ATOM 2616 O ARG B 80 -8.907 6.798 -2.008 1.00 0.94 O ATOM 2617 CB ARG B 80 -9.632 4.173 -1.726 1.00 1.41 C ATOM 2618 CG ARG B 80 -10.353 4.599 -3.006 1.00 0.94 C ATOM 2619 CD ARG B 80 -10.890 3.363 -3.732 1.00 0.48 C ATOM 2620 NE ARG B 80 -12.372 3.301 -3.579 1.00 0.24 N ATOM 2621 CZ ARG B 80 -13.080 2.517 -4.349 1.00 1.07 C ATOM 2622 NH1 ARG B 80 -12.494 1.784 -5.258 1.00 1.75 N ATOM 2623 NH2 ARG B 80 -14.376 2.465 -4.208 1.00 1.34 N ATOM 0 H ARG B 80 -6.925 5.013 -0.172 1.00 1.02 H new ATOM 0 HA ARG B 80 -7.731 3.939 -2.654 1.00 0.97 H new ATOM 0 HB2 ARG B 80 -9.750 3.101 -1.569 1.00 1.41 H new ATOM 0 HB3 ARG B 80 -10.073 4.672 -0.863 1.00 1.41 H new ATOM 0 HG2 ARG B 80 -11.173 5.276 -2.765 1.00 0.94 H new ATOM 0 HG3 ARG B 80 -9.669 5.145 -3.655 1.00 0.94 H new ATOM 0 HD2 ARG B 80 -10.624 3.405 -4.788 1.00 0.48 H new ATOM 0 HD3 ARG B 80 -10.434 2.461 -3.324 1.00 0.48 H new ATOM 0 HE ARG B 80 -12.835 3.872 -2.872 1.00 0.24 H new ATOM 0 HH11 ARG B 80 -11.481 1.822 -5.369 1.00 1.75 H new ATOM 0 HH12 ARG B 80 -13.050 1.173 -5.857 1.00 1.75 H new ATOM 0 HH21 ARG B 80 -14.835 3.035 -3.498 1.00 1.34 H new ATOM 0 HH22 ARG B 80 -14.930 1.854 -4.808 1.00 1.34 H new ATOM 2637 N LEU B 81 -6.778 6.393 -2.406 1.00 1.67 N ATOM 2638 CA LEU B 81 -6.436 7.816 -2.657 1.00 1.81 C ATOM 2639 C LEU B 81 -7.612 8.585 -3.272 1.00 1.52 C ATOM 2640 O LEU B 81 -8.100 8.260 -4.336 1.00 1.66 O ATOM 2641 CB LEU B 81 -5.208 7.860 -3.569 1.00 2.41 C ATOM 2642 CG LEU B 81 -5.626 7.975 -5.031 1.00 1.39 C ATOM 2643 CD1 LEU B 81 -4.375 8.118 -5.901 1.00 1.92 C ATOM 2644 CD2 LEU B 81 -6.388 6.706 -5.435 1.00 3.62 C ATOM 0 H LEU B 81 -5.989 5.752 -2.492 1.00 1.67 H new ATOM 0 HA LEU B 81 -6.213 8.306 -1.709 1.00 1.81 H new ATOM 0 HB2 LEU B 81 -4.578 8.707 -3.298 1.00 2.41 H new ATOM 0 HB3 LEU B 81 -4.610 6.960 -3.426 1.00 2.41 H new ATOM 0 HG LEU B 81 -6.267 8.846 -5.168 1.00 1.39 H new ATOM 0 HD11 LEU B 81 -4.667 8.201 -6.948 1.00 1.92 H new ATOM 0 HD12 LEU B 81 -3.827 9.013 -5.606 1.00 1.92 H new ATOM 0 HD13 LEU B 81 -3.739 7.243 -5.770 1.00 1.92 H new ATOM 0 HD21 LEU B 81 -6.691 6.780 -6.480 1.00 3.62 H new ATOM 0 HD22 LEU B 81 -5.743 5.837 -5.305 1.00 3.62 H new ATOM 0 HD23 LEU B 81 -7.273 6.598 -4.808 1.00 3.62 H new ATOM 2656 N ARG B 82 -8.051 9.623 -2.611 1.00 1.17 N ATOM 2657 CA ARG B 82 -9.170 10.440 -3.154 1.00 0.88 C ATOM 2658 C ARG B 82 -8.568 11.556 -4.007 1.00 1.10 C ATOM 2659 O ARG B 82 -8.015 12.511 -3.498 1.00 0.66 O ATOM 2660 CB ARG B 82 -9.973 11.047 -2.001 1.00 0.59 C ATOM 2661 CG ARG B 82 -11.466 10.799 -2.232 1.00 1.53 C ATOM 2662 CD ARG B 82 -12.257 11.242 -0.999 1.00 2.21 C ATOM 2663 NE ARG B 82 -13.383 12.123 -1.422 1.00 4.48 N ATOM 2664 CZ ARG B 82 -14.364 12.375 -0.597 1.00 6.20 C ATOM 2665 NH1 ARG B 82 -14.367 11.855 0.600 1.00 6.32 N ATOM 2666 NH2 ARG B 82 -15.346 13.149 -0.973 1.00 8.07 N ATOM 0 H ARG B 82 -7.680 9.940 -1.715 1.00 1.17 H new ATOM 0 HA ARG B 82 -9.836 9.820 -3.754 1.00 0.88 H new ATOM 0 HB2 ARG B 82 -9.662 10.604 -1.055 1.00 0.59 H new ATOM 0 HB3 ARG B 82 -9.778 12.117 -1.932 1.00 0.59 H new ATOM 0 HG2 ARG B 82 -11.805 11.348 -3.110 1.00 1.53 H new ATOM 0 HG3 ARG B 82 -11.643 9.742 -2.430 1.00 1.53 H new ATOM 0 HD2 ARG B 82 -12.642 10.371 -0.468 1.00 2.21 H new ATOM 0 HD3 ARG B 82 -11.605 11.774 -0.307 1.00 2.21 H new ATOM 0 HE ARG B 82 -13.387 12.530 -2.357 1.00 4.48 H new ATOM 0 HH11 ARG B 82 -13.601 11.249 0.895 1.00 6.32 H new ATOM 0 HH12 ARG B 82 -15.135 12.055 1.241 1.00 6.32 H new ATOM 0 HH21 ARG B 82 -15.346 13.555 -1.909 1.00 8.07 H new ATOM 0 HH22 ARG B 82 -16.113 13.348 -0.331 1.00 8.07 H new ATOM 2680 N LEU B 83 -8.641 11.428 -5.302 1.00 1.97 N ATOM 2681 CA LEU B 83 -8.042 12.468 -6.186 1.00 2.35 C ATOM 2682 C LEU B 83 -8.885 13.740 -6.187 1.00 2.45 C ATOM 2683 O LEU B 83 -10.091 13.710 -6.048 1.00 2.39 O ATOM 2684 CB LEU B 83 -7.946 11.945 -7.617 1.00 2.69 C ATOM 2685 CG LEU B 83 -6.506 12.058 -8.113 1.00 2.25 C ATOM 2686 CD1 LEU B 83 -6.467 11.773 -9.616 1.00 2.42 C ATOM 2687 CD2 LEU B 83 -5.995 13.477 -7.851 1.00 1.47 C ATOM 0 H LEU B 83 -9.088 10.650 -5.787 1.00 1.97 H new ATOM 0 HA LEU B 83 -7.048 12.698 -5.801 1.00 2.35 H new ATOM 0 HB2 LEU B 83 -8.274 10.906 -7.657 1.00 2.69 H new ATOM 0 HB3 LEU B 83 -8.610 12.514 -8.267 1.00 2.69 H new ATOM 0 HG LEU B 83 -5.877 11.339 -7.589 1.00 2.25 H new ATOM 0 HD11 LEU B 83 -5.441 11.852 -9.975 1.00 2.42 H new ATOM 0 HD12 LEU B 83 -6.841 10.767 -9.805 1.00 2.42 H new ATOM 0 HD13 LEU B 83 -7.092 12.497 -10.140 1.00 2.42 H new ATOM 0 HD21 LEU B 83 -4.967 13.564 -8.203 1.00 1.47 H new ATOM 0 HD22 LEU B 83 -6.622 14.193 -8.382 1.00 1.47 H new ATOM 0 HD23 LEU B 83 -6.031 13.685 -6.782 1.00 1.47 H new ATOM 2699 N VAL B 84 -8.240 14.858 -6.356 1.00 2.65 N ATOM 2700 CA VAL B 84 -8.951 16.153 -6.385 1.00 2.73 C ATOM 2701 C VAL B 84 -8.179 17.092 -7.318 1.00 2.86 C ATOM 2702 O VAL B 84 -6.998 16.911 -7.516 1.00 2.84 O ATOM 2703 CB VAL B 84 -8.969 16.723 -4.969 1.00 2.61 C ATOM 2704 CG1 VAL B 84 -9.644 15.726 -4.026 1.00 2.85 C ATOM 2705 CG2 VAL B 84 -7.531 16.974 -4.503 1.00 2.32 C ATOM 0 H VAL B 84 -7.229 14.925 -6.477 1.00 2.65 H new ATOM 0 HA VAL B 84 -9.975 16.038 -6.741 1.00 2.73 H new ATOM 0 HB VAL B 84 -9.523 17.661 -4.962 1.00 2.61 H new ATOM 0 HG11 VAL B 84 -9.657 16.133 -3.015 1.00 2.85 H new ATOM 0 HG12 VAL B 84 -10.667 15.546 -4.358 1.00 2.85 H new ATOM 0 HG13 VAL B 84 -9.090 14.787 -4.032 1.00 2.85 H new ATOM 0 HG21 VAL B 84 -7.542 17.381 -3.492 1.00 2.32 H new ATOM 0 HG22 VAL B 84 -6.977 16.035 -4.510 1.00 2.32 H new ATOM 0 HG23 VAL B 84 -7.050 17.684 -5.175 1.00 2.32 H new ATOM 2715 N PRO B 85 -8.850 18.074 -7.853 1.00 2.86 N ATOM 2716 CA PRO B 85 -8.218 19.057 -8.749 1.00 2.80 C ATOM 2717 C PRO B 85 -7.127 19.843 -8.006 1.00 2.79 C ATOM 2718 O PRO B 85 -7.215 20.070 -6.816 1.00 2.78 O ATOM 2719 CB PRO B 85 -9.381 19.938 -9.208 1.00 2.70 C ATOM 2720 CG PRO B 85 -10.496 19.728 -8.171 1.00 2.70 C ATOM 2721 CD PRO B 85 -10.278 18.314 -7.609 1.00 2.81 C ATOM 0 HA PRO B 85 -7.704 18.607 -9.598 1.00 2.80 H new ATOM 0 HB2 PRO B 85 -9.083 20.985 -9.256 1.00 2.70 H new ATOM 0 HB3 PRO B 85 -9.716 19.655 -10.206 1.00 2.70 H new ATOM 0 HG2 PRO B 85 -10.442 20.476 -7.380 1.00 2.70 H new ATOM 0 HG3 PRO B 85 -11.480 19.820 -8.630 1.00 2.70 H new ATOM 0 HD2 PRO B 85 -10.520 18.261 -6.548 1.00 2.81 H new ATOM 0 HD3 PRO B 85 -10.903 17.578 -8.116 1.00 2.81 H new ATOM 2729 N ALA B 86 -6.088 20.242 -8.698 1.00 2.71 N ATOM 2730 CA ALA B 86 -4.979 20.990 -8.034 1.00 2.48 C ATOM 2731 C ALA B 86 -5.305 22.484 -8.031 1.00 2.12 C ATOM 2732 O ALA B 86 -5.653 23.055 -9.046 1.00 3.05 O ATOM 2733 CB ALA B 86 -3.679 20.759 -8.809 1.00 3.64 C ATOM 0 H ALA B 86 -5.961 20.081 -9.697 1.00 2.71 H new ATOM 0 HA ALA B 86 -4.864 20.639 -7.009 1.00 2.48 H new ATOM 0 HB1 ALA B 86 -2.867 21.303 -8.327 1.00 3.64 H new ATOM 0 HB2 ALA B 86 -3.446 19.694 -8.820 1.00 3.64 H new ATOM 0 HB3 ALA B 86 -3.797 21.115 -9.833 1.00 3.64 H new ATOM 2739 N LYS B 87 -5.194 23.124 -6.902 1.00 2.60 N ATOM 2740 CA LYS B 87 -5.496 24.582 -6.842 1.00 2.13 C ATOM 2741 C LYS B 87 -4.188 25.371 -6.753 1.00 4.16 C ATOM 2742 O LYS B 87 -4.247 26.587 -6.835 1.00 4.79 O ATOM 2743 CB LYS B 87 -6.352 24.876 -5.610 1.00 2.40 C ATOM 2744 CG LYS B 87 -5.540 24.593 -4.345 1.00 4.60 C ATOM 2745 CD LYS B 87 -6.290 23.586 -3.471 1.00 6.27 C ATOM 2746 CE LYS B 87 -7.433 24.295 -2.742 1.00 8.05 C ATOM 2747 NZ LYS B 87 -8.714 23.583 -3.014 1.00 8.95 N ATOM 2748 OXT LYS B 87 -3.150 24.747 -6.607 1.00 5.73 O ATOM 0 H LYS B 87 -4.908 22.702 -6.019 1.00 2.60 H new ATOM 0 HA LYS B 87 -6.039 24.877 -7.740 1.00 2.13 H new ATOM 0 HB2 LYS B 87 -6.678 25.916 -5.620 1.00 2.40 H new ATOM 0 HB3 LYS B 87 -7.251 24.260 -5.623 1.00 2.40 H new ATOM 0 HG2 LYS B 87 -4.559 24.200 -4.611 1.00 4.60 H new ATOM 0 HG3 LYS B 87 -5.374 25.518 -3.792 1.00 4.60 H new ATOM 0 HD2 LYS B 87 -6.683 22.777 -4.086 1.00 6.27 H new ATOM 0 HD3 LYS B 87 -5.608 23.136 -2.750 1.00 6.27 H new ATOM 0 HE2 LYS B 87 -7.237 24.316 -1.670 1.00 8.05 H new ATOM 0 HE3 LYS B 87 -7.503 25.331 -3.074 1.00 8.05 H new ATOM 0 HZ1 LYS B 87 -9.491 24.065 -2.518 1.00 8.95 H new ATOM 0 HZ2 LYS B 87 -8.902 23.585 -4.037 1.00 8.95 H new ATOM 0 HZ3 LYS B 87 -8.644 22.602 -2.677 1.00 8.95 H new TER 2762 LYS B 87 END