USER MOD reduce.3.24.130724 H: found=0, std=0, add=3063, rem=0, adj=69 USER MOD reduce.3.24.130724 removed 3060 hydrogens (0 hets) HEADER VIRAL PROTEIN 20-MAY-98 2EZO TITLE SOLUTION NMR STRUCTURE OF ECTODOMAIN OF SIV GP41, TITLE 2 RESTRAINED REGULARIZED MEAN STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: GP41; COMPND 3 CHAIN: A, B, C; COMPND 4 FRAGMENT: ECTODOMAIN, RESIDUES 27 - 149, NUMBERED 1 - 123 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SIMIAN IMMUNODEFICIENCY VIRUS; SOURCE 3 ORGANISM_TAXID: 11723; SOURCE 4 STRAIN: SOOTEY MANGABEY KEYWDS VIRUS ENVELOPE PROTEIN, SIV GP41 ECTODOMAIN, VIRAL PROTEIN EXPDTA SOLUTION NMR AUTHOR M.CAFFREY,A.M.GRONENBORN,G.M.CLORE REVDAT 2 24-FEB-09 2EZO 1 VERSN REVDAT 1 14-OCT-98 2EZO 0 JRNL AUTH M.CAFFREY,M.CAI,J.KAUFMAN,S.J.STAHL,P.T.WINGFIELD, JRNL AUTH 2 D.G.COVELL,A.M.GRONENBORN,G.M.CLORE JRNL TITL THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE 44 KDA JRNL TITL 2 ECTODOMAIN OF SIV GP41. JRNL REF EMBO J. V. 17 4572 1998 JRNL REFN ISSN 0261-4189 JRNL PMID 9707417 JRNL DOI 10.1093/EMBOJ/17.16.4572 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.CAFFREY,M.CAI,J.KAUFMAN,S.J.STAHL,P.T.WINGFIELD, REMARK 1 AUTH 2 A.M.GRONENBORN,G.M.CLORE REMARK 1 TITL DETERMINATION OF THE SECONDARY STRUCTURE AND REMARK 1 TITL 2 GLOBAL TOPOLOGY OF THE 44 KDA ECTODOMAIN OF GP41 REMARK 1 TITL 3 OF THE SIMIAN IMMUNODEFICIENCY VIRUS BY REMARK 1 TITL 4 MULTIDIMENSIONAL NUCLEAR MAGNETIC RESONANCE REMARK 1 TITL 5 SPECTROSCOPY REMARK 1 REF J.MOL.BIOL. V. 271 819 1997 REMARK 1 REFN ISSN 0022-2836 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ, REMARK 3 RICE,SIMONSON,WARREN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NO REFINEMENT WAS DONE REMARK 4 REMARK 4 2EZO 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) : 322 REMARK 210 PH : 3.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : TRIPLE RESONANCE FOR REMARK 210 ASSIGNMENT OF PROTEIN: D-HNCA, REMARK 210 D-HNCO, D-HN(CO)CA, D-HN(CA)CO REMARK 210 D-HNCACB, D-HN(COCA)CB, D- REMARK 210 HN(CA)CB, D-C(CC)(CO)NH, REMARK 210 HBHA(CO)NH, HCACO, HNHA, HCCH- REMARK 210 COSY, HCCH-TOCSY, 4D HCCH 13C- REMARK 210 13C NOE, QUANTITATIVE J REMARK 210 CORRELATION FOR COUPLING REMARK 210 CONSTANTS, 3D 15N-SEPARATED REMARK 210 NOE AND ROE, 3D 13C-SEPARATED REMARK 210 NOE, 3D 13C-SEPARATED/12C_ REMARK 210 FILTERED NOE, 3D 13C- REMARK 210 SEPARATED/15N-FILTERED NOE, 3D REMARK 210 15N-SEPARATED/13C-FILTERED REMARK 210 NOE, 4D 15N/15N-SEPARATED NOE, REMARK 210 4D 15N/13C-SEPARATED NOE, 4D REMARK 210 13C/13C-SEPARATED NOE REMARK 210 EXPERIMENTS: 3D HCA(CO)N FOR REMARK 210 THREE-BOND AMIDE DEUTERIUM REMARK 210 ISOTOPE SHIFTS REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ, 750 MHZ REMARK 210 SPECTROMETER MODEL : DMX500, DMX600, DMX750 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CNS REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : REGULARIZED MEAN STRUCTURE 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 ASN A 56 -65.96 -133.31 REMARK 500 ALA A 60 32.70 -70.94 REMARK 500 ALA A 61 113.79 -164.12 REMARK 500 VAL A 65 59.34 -103.42 REMARK 500 PRO A 73 148.29 -39.16 REMARK 500 LYS A 80 -56.95 -121.66 REMARK 500 ASN B 56 -65.99 -133.32 REMARK 500 ALA B 60 32.86 -70.96 REMARK 500 ALA B 61 113.78 -164.22 REMARK 500 VAL B 65 59.32 -103.37 REMARK 500 PRO B 73 148.27 -39.14 REMARK 500 LYS B 80 -56.93 -121.70 REMARK 500 ASN C 56 -66.00 -133.37 REMARK 500 ALA C 60 32.79 -70.96 REMARK 500 ALA C 61 113.78 -164.16 REMARK 500 VAL C 65 59.31 -103.42 REMARK 500 PRO C 73 148.27 -39.17 REMARK 500 LYS C 80 -56.98 -121.68 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 41 0.10 SIDE_CHAIN REMARK 500 ARG B 41 0.10 SIDE_CHAIN REMARK 500 ARG C 41 0.10 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2EZP RELATED DB: PDB REMARK 900 RELATED ID: 2EZQ RELATED DB: PDB REMARK 900 RELATED ID: 2EZR RELATED DB: PDB REMARK 900 RELATED ID: 2EZS RELATED DB: PDB DBREF 2EZO A 1 123 UNP Q88018 Q88018_SIVCZ 150 272 DBREF 2EZO B 1 123 UNP Q88018 Q88018_SIVCZ 150 272 DBREF 2EZO C 1 123 UNP Q88018 Q88018_SIVCZ 150 272 SEQADV 2EZO ALA A 60 UNP Q88018 CYS 209 CONFLICT SEQADV 2EZO ALA A 66 UNP Q88018 CYS 215 CONFLICT SEQADV 2EZO LYS A 80 UNP Q88018 ASP 229 CONFLICT SEQADV 2EZO GLU A 84 UNP Q88018 ASP 233 CONFLICT SEQADV 2EZO ALA B 60 UNP Q88018 CYS 209 CONFLICT SEQADV 2EZO ALA B 66 UNP Q88018 CYS 215 CONFLICT SEQADV 2EZO LYS B 80 UNP Q88018 ASP 229 CONFLICT SEQADV 2EZO GLU B 84 UNP Q88018 ASP 233 CONFLICT SEQADV 2EZO ALA C 60 UNP Q88018 CYS 209 CONFLICT SEQADV 2EZO ALA C 66 UNP Q88018 CYS 215 CONFLICT SEQADV 2EZO LYS C 80 UNP Q88018 ASP 229 CONFLICT SEQADV 2EZO GLU C 84 UNP Q88018 ASP 233 CONFLICT SEQRES 1 A 123 ALA GLN SER ARG THR LEU LEU ALA GLY ILE VAL GLN GLN SEQRES 2 A 123 GLN GLN GLN LEU LEU ASP VAL VAL LYS ARG GLN GLN GLU SEQRES 3 A 123 LEU LEU ARG LEU THR VAL TRP GLY THR LYS ASN LEU GLN SEQRES 4 A 123 THR ARG VAL THR ALA ILE GLU LYS TYR LEU LYS ASP GLN SEQRES 5 A 123 ALA GLN LEU ASN ALA TRP GLY ALA ALA PHE ARG GLN VAL SEQRES 6 A 123 ALA HIS THR THR VAL PRO TRP PRO ASN ALA SER LEU THR SEQRES 7 A 123 PRO LYS TRP ASN ASN GLU THR TRP GLN GLU TRP GLU ARG SEQRES 8 A 123 LYS VAL ASP PHE LEU GLU GLU ASN ILE THR ALA LEU LEU SEQRES 9 A 123 GLU GLU ALA GLN ILE GLN GLN GLU LYS ASN MET TYR GLU SEQRES 10 A 123 LEU GLN LYS LEU ASN SER SEQRES 1 B 123 ALA GLN SER ARG THR LEU LEU ALA GLY ILE VAL GLN GLN SEQRES 2 B 123 GLN GLN GLN LEU LEU ASP VAL VAL LYS ARG GLN GLN GLU SEQRES 3 B 123 LEU LEU ARG LEU THR VAL TRP GLY THR LYS ASN LEU GLN SEQRES 4 B 123 THR ARG VAL THR ALA ILE GLU LYS TYR LEU LYS ASP GLN SEQRES 5 B 123 ALA GLN LEU ASN ALA TRP GLY ALA ALA PHE ARG GLN VAL SEQRES 6 B 123 ALA HIS THR THR VAL PRO TRP PRO ASN ALA SER LEU THR SEQRES 7 B 123 PRO LYS TRP ASN ASN GLU THR TRP GLN GLU TRP GLU ARG SEQRES 8 B 123 LYS VAL ASP PHE LEU GLU GLU ASN ILE THR ALA LEU LEU SEQRES 9 B 123 GLU GLU ALA GLN ILE GLN GLN GLU LYS ASN MET TYR GLU SEQRES 10 B 123 LEU GLN LYS LEU ASN SER SEQRES 1 C 123 ALA GLN SER ARG THR LEU LEU ALA GLY ILE VAL GLN GLN SEQRES 2 C 123 GLN GLN GLN LEU LEU ASP VAL VAL LYS ARG GLN GLN GLU SEQRES 3 C 123 LEU LEU ARG LEU THR VAL TRP GLY THR LYS ASN LEU GLN SEQRES 4 C 123 THR ARG VAL THR ALA ILE GLU LYS TYR LEU LYS ASP GLN SEQRES 5 C 123 ALA GLN LEU ASN ALA TRP GLY ALA ALA PHE ARG GLN VAL SEQRES 6 C 123 ALA HIS THR THR VAL PRO TRP PRO ASN ALA SER LEU THR SEQRES 7 C 123 PRO LYS TRP ASN ASN GLU THR TRP GLN GLU TRP GLU ARG SEQRES 8 C 123 LYS VAL ASP PHE LEU GLU GLU ASN ILE THR ALA LEU LEU SEQRES 9 C 123 GLU GLU ALA GLN ILE GLN GLN GLU LYS ASN MET TYR GLU SEQRES 10 C 123 LEU GLN LYS LEU ASN SER HELIX 1 1 ARG A 4 GLN A 54 1 51 HELIX 2 2 TRP A 81 LEU A 121 1 41 HELIX 3 3 ARG B 4 GLN B 54 1 51 HELIX 4 4 TRP B 81 LEU B 121 1 41 HELIX 5 5 ARG C 4 GLN C 54 1 51 HELIX 6 6 TRP C 81 LEU C 121 1 41 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 116 TYR OH : rot 165:sc= -0.101 USER MOD Set 1.2: C 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: C 83 ASN : amide:sc= -0.504 K(o=-0.63,f=-4.6!) USER MOD Set 2.2: C 87 GLN : amide:sc= -0.122 K(o=-0.63,f=-2.4!) USER MOD Set 3.1: A 24 GLN : amide:sc= -1.93 K(o=-5.6,f=-13!) USER MOD Set 3.2: B 24 GLN : amide:sc= -1.82 K(o=-5.6,f=-13!) USER MOD Set 3.3: C 24 GLN : amide:sc= -1.88 K(o=-5.6,f=-13!) USER MOD Set 4.1: B 116 TYR OH : rot 165:sc= -0.0896 USER MOD Set 4.2: B 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: B 83 ASN : amide:sc= -0.459 K(o=-0.57,f=-4.6!) USER MOD Set 5.2: B 87 GLN : amide:sc= -0.116 K(o=-0.57,f=-2.3!) USER MOD Set 6.1: B 37 ASN : amide:sc= -5.46! C(o=-14!,f=-15!) USER MOD Set 6.2: B 40 THR OG1 : rot -60:sc= 0.926 USER MOD Set 6.3: C 82 ASN :FLIP amide:sc= -9.79! C(o=-15!,f=-14!) USER MOD Set 6.4: C 85 THR OG1 : rot -112:sc= 0.11 USER MOD Set 7.1: B 13 GLN : amide:sc= -0.1 K(o=-1.7,f=-8.6!) USER MOD Set 7.2: B 16 GLN :FLIP amide:sc= -0.514! C(o=-2.8!,f=-1.7!) USER MOD Set 7.3: C 110 GLN : amide:sc= -0.84 K(o=-1.7,f=-3.1!) USER MOD Set 7.4: C 111 GLN : amide:sc= -0.239 K(o=-1.7,f=-7.5!) USER MOD Set 8.1: A 116 TYR OH : rot 165:sc= -0.0846 USER MOD Set 8.2: A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 9.1: A 110 GLN : amide:sc= -0.812 K(o=-1.7,f=-3.2!) USER MOD Set 9.2: A 111 GLN : amide:sc= -0.279 K(o=-1.7,f=-7.4!) USER MOD Set 9.3: C 13 GLN : amide:sc= -0.111 K(o=-1.7,f=-8.6!) USER MOD Set 9.4: C 16 GLN :FLIP amide:sc= -0.532 F(o=-2.8!,f=-1.7) USER MOD Set10.1: A 83 ASN : amide:sc= -0.51 K(o=-0.64,f=-4.5!) USER MOD Set10.2: A 87 GLN : amide:sc= -0.132 K(o=-0.64,f=-2.3!) USER MOD Set11.1: A 82 ASN : amide:sc= -9.98! C(o=-14!,f=-14!) USER MOD Set11.2: A 85 THR OG1 : rot -90:sc= 0.0554 USER MOD Set11.3: C 37 ASN : amide:sc= -5.25! C(o=-14!,f=-14!) USER MOD Set11.4: C 40 THR OG1 : rot -66:sc= 0.924 USER MOD Set12.1: A 52 GLN : amide:sc= -12.6! C(o=-60!,f=-69!) USER MOD Set12.2: A 74 ASN :FLIP amide:sc= -7.3! C(o=-64!,f=-60!) USER MOD Set12.3: B 52 GLN : amide:sc= -12.6! C(o=-60!,f=-69!) USER MOD Set12.4: B 74 ASN :FLIP amide:sc= -7.18! C(o=-64!,f=-60!) USER MOD Set12.5: C 52 GLN : amide:sc= -12.8! C(o=-60!,f=-68!) USER MOD Set12.6: C 74 ASN :FLIP amide:sc= -7.32! C(o=-64!,f=-60!) USER MOD Set13.1: A 37 ASN :FLIP amide:sc= -5.31! C(o=-14!,f=-14!) USER MOD Set13.2: A 40 THR OG1 : rot -52:sc= 0.753 USER MOD Set13.3: B 82 ASN :FLIP amide:sc= -9.61! C(o=-15!,f=-14!) USER MOD Set13.4: B 85 THR OG1 : rot -85:sc= 0.0257 USER MOD Set14.1: A 13 GLN : amide:sc= -0.102 K(o=-1.7,f=-8.5!) USER MOD Set14.2: A 16 GLN :FLIP amide:sc= -0.523 F(o=-2.8!,f=-1.7) USER MOD Set14.3: B 110 GLN : amide:sc= -0.853 K(o=-1.7,f=-3.3!) USER MOD Set14.4: B 111 GLN : amide:sc= -0.265 K(o=-1.7,f=-7.5!) USER MOD Single : A 1 ALA N :NH3+ 178:sc= -0.16 (180deg=-0.199) USER MOD Single : A 2 GLN : amide:sc= -2.96! C(o=-3!,f=-3.2!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.729 F(o=-1.9,f=-0.73) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.682 K(o=-0.68,f=-3.4!) USER MOD Single : A 31 THR OG1 : rot -22:sc= 0.422 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 43 THR OG1 : rot -52:sc= 0.786 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 130:sc= -0.322 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 56 ASN : amide:sc= -1.74! C(o=-1.7!,f=-11!) USER MOD Single : A 64 GLN :FLIP amide:sc= 0.843 F(o=-2.5,f=0.84) USER MOD Single : A 67 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.021) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 110:sc= -0.867! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.0113 X(o=-0.011,f=-0.028) USER MOD Single : A 101 THR OG1 : rot -8:sc= 0.564 USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 119 GLN : amide:sc= -0.0332 K(o=-0.033,f=-1.3!) USER MOD Single : A 122 ASN :FLIP amide:sc= -0.668! C(o=-2.2!,f=-0.67!) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ 178:sc= -0.104 (180deg=-0.133) USER MOD Single : B 2 GLN : amide:sc= -2.99! C(o=-3!,f=-3.1!) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 GLN :FLIP amide:sc= -0.723 F(o=-2,f=-0.72) USER MOD Single : B 15 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 GLN : amide:sc= -0.631 K(o=-0.63,f=-3.6!) USER MOD Single : B 31 THR OG1 : rot -22:sc= 0.451 USER MOD Single : B 35 THR OG1 : rot 180:sc= 0 USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : B 43 THR OG1 : rot -52:sc= 0.819 USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 TYR OH : rot 130:sc= -0.318 USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : B 56 ASN : amide:sc= -1.3! C(o=-1.3!,f=-11!) USER MOD Single : B 64 GLN :FLIP amide:sc= 0.985 F(o=-2.6,f=0.99) USER MOD Single : B 67 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.023) USER MOD Single : B 68 THR OG1 : rot 180:sc= 0 USER MOD Single : B 69 THR OG1 : rot 180:sc= 0 USER MOD Single : B 76 SER OG : rot 180:sc= 0 USER MOD Single : B 78 THR OG1 : rot 110:sc= -0.888! USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 99 ASN : amide:sc= -0.0173 X(o=-0.017,f=-0.045) USER MOD Single : B 101 THR OG1 : rot -6:sc= 0.57 USER MOD Single : B 108 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 114 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : B 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 119 GLN : amide:sc=-0.00268 K(o=-0.0027,f=-1.4!) USER MOD Single : B 122 ASN :FLIP amide:sc= -0.9! C(o=-2.1!,f=-0.9!) USER MOD Single : B 123 SER OG : rot 180:sc= 0 USER MOD Single : C 1 ALA N :NH3+ 178:sc= -0.202 (180deg=-0.208) USER MOD Single : C 2 GLN : amide:sc= -2.91! C(o=-2.9!,f=-3!) USER MOD Single : C 3 SER OG : rot 180:sc= 0 USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 14 GLN :FLIP amide:sc= -0.711 F(o=-1.9,f=-0.71) USER MOD Single : C 15 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : C 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 25 GLN : amide:sc= -0.705 K(o=-0.7,f=-3.6!) USER MOD Single : C 31 THR OG1 : rot -27:sc= 0.47 USER MOD Single : C 35 THR OG1 : rot 180:sc= 0 USER MOD Single : C 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 39 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : C 43 THR OG1 : rot -48:sc= 0.67 USER MOD Single : C 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 48 TYR OH : rot 130:sc= -0.304 USER MOD Single : C 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 54 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : C 56 ASN : amide:sc= -1.36! C(o=-1.4!,f=-11!) USER MOD Single : C 64 GLN :FLIP amide:sc= 1.02 F(o=-2.4,f=1) USER MOD Single : C 67 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.022) USER MOD Single : C 68 THR OG1 : rot 180:sc= 0 USER MOD Single : C 69 THR OG1 : rot 180:sc= 0 USER MOD Single : C 76 SER OG : rot 180:sc= 0 USER MOD Single : C 78 THR OG1 : rot 109:sc= -0.994! USER MOD Single : C 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 99 ASN : amide:sc= -0.0226 X(o=-0.023,f=-0.026) USER MOD Single : C 101 THR OG1 : rot -6:sc= 0.569 USER MOD Single : C 108 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : C 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 114 ASN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : C 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 119 GLN : amide:sc=-0.00351 K(o=-0.0035,f=-1.3!) USER MOD Single : C 122 ASN :FLIP amide:sc= -0.835! C(o=-2.2!,f=-0.83!) USER MOD Single : C 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 27.011 -42.604 -9.032 1.00 0.82 N ATOM 2 CA ALA A 1 28.069 -41.556 -9.089 1.00 0.80 C ATOM 3 C ALA A 1 27.409 -40.173 -9.094 1.00 0.71 C ATOM 4 O ALA A 1 28.058 -39.163 -9.268 1.00 0.70 O ATOM 5 CB ALA A 1 28.898 -41.753 -10.369 1.00 0.90 C ATOM 0 H1 ALA A 1 27.453 -43.545 -9.063 1.00 0.82 H new ATOM 0 H2 ALA A 1 26.470 -42.504 -8.149 1.00 0.82 H new ATOM 0 H3 ALA A 1 26.371 -42.495 -9.844 1.00 0.82 H new ATOM 0 HA ALA A 1 28.724 -41.633 -8.221 1.00 0.80 H new ATOM 0 HB1 ALA A 1 29.675 -40.991 -10.420 1.00 0.90 H new ATOM 0 HB2 ALA A 1 29.359 -42.741 -10.356 1.00 0.90 H new ATOM 0 HB3 ALA A 1 28.248 -41.668 -11.240 1.00 0.90 H new ATOM 13 N GLN A 2 26.119 -40.124 -8.916 1.00 0.67 N ATOM 14 CA GLN A 2 25.408 -38.815 -8.929 1.00 0.60 C ATOM 15 C GLN A 2 25.705 -38.032 -7.648 1.00 0.52 C ATOM 16 O GLN A 2 25.858 -38.596 -6.582 1.00 0.52 O ATOM 17 CB GLN A 2 23.909 -39.075 -9.055 1.00 0.62 C ATOM 18 CG GLN A 2 23.643 -39.708 -10.421 1.00 0.72 C ATOM 19 CD GLN A 2 22.173 -40.106 -10.534 1.00 1.27 C ATOM 20 OE1 GLN A 2 21.413 -39.955 -9.599 1.00 2.00 O ATOM 21 NE2 GLN A 2 21.741 -40.620 -11.651 1.00 1.87 N ATOM 0 H GLN A 2 25.524 -40.938 -8.761 1.00 0.67 H new ATOM 0 HA GLN A 2 25.752 -38.220 -9.775 1.00 0.60 H new ATOM 0 HB2 GLN A 2 23.570 -39.737 -8.258 1.00 0.62 H new ATOM 0 HB3 GLN A 2 23.352 -38.143 -8.954 1.00 0.62 H new ATOM 0 HG2 GLN A 2 23.900 -39.005 -11.213 1.00 0.72 H new ATOM 0 HG3 GLN A 2 24.277 -40.584 -10.555 1.00 0.72 H new ATOM 0 HE21 GLN A 2 22.381 -40.746 -12.435 1.00 1.87 H new ATOM 0 HE22 GLN A 2 20.763 -40.896 -11.741 1.00 1.87 H new ATOM 30 N SER A 3 25.795 -36.731 -7.749 1.00 0.47 N ATOM 31 CA SER A 3 26.091 -35.898 -6.547 1.00 0.41 C ATOM 32 C SER A 3 24.785 -35.499 -5.856 1.00 0.37 C ATOM 33 O SER A 3 24.491 -34.330 -5.696 1.00 0.34 O ATOM 34 CB SER A 3 26.840 -34.634 -6.983 1.00 0.40 C ATOM 35 OG SER A 3 27.762 -34.965 -8.011 1.00 1.37 O ATOM 0 H SER A 3 25.676 -36.208 -8.617 1.00 0.47 H new ATOM 0 HA SER A 3 26.704 -36.472 -5.852 1.00 0.41 H new ATOM 0 HB2 SER A 3 26.134 -33.884 -7.340 1.00 0.40 H new ATOM 0 HB3 SER A 3 27.366 -34.198 -6.134 1.00 0.40 H new ATOM 0 HG SER A 3 28.241 -34.158 -8.293 1.00 1.37 H new ATOM 41 N ARG A 4 24.005 -36.453 -5.433 1.00 0.41 N ATOM 42 CA ARG A 4 22.731 -36.110 -4.742 1.00 0.42 C ATOM 43 C ARG A 4 23.035 -35.421 -3.419 1.00 0.42 C ATOM 44 O ARG A 4 22.372 -34.478 -3.033 1.00 0.43 O ATOM 45 CB ARG A 4 21.892 -37.368 -4.519 1.00 0.51 C ATOM 46 CG ARG A 4 21.252 -37.757 -5.851 1.00 0.90 C ATOM 47 CD ARG A 4 20.369 -38.986 -5.689 1.00 1.03 C ATOM 48 NE ARG A 4 21.220 -40.189 -5.476 1.00 1.97 N ATOM 49 CZ ARG A 4 20.668 -41.334 -5.183 1.00 2.55 C ATOM 50 NH1 ARG A 4 19.367 -41.434 -5.128 1.00 2.53 N ATOM 51 NH2 ARG A 4 21.412 -42.382 -4.966 1.00 3.57 N ATOM 0 H ARG A 4 24.192 -37.450 -5.535 1.00 0.41 H new ATOM 0 HA ARG A 4 22.156 -35.428 -5.368 1.00 0.42 H new ATOM 0 HB2 ARG A 4 22.516 -38.180 -4.146 1.00 0.51 H new ATOM 0 HB3 ARG A 4 21.124 -37.185 -3.767 1.00 0.51 H new ATOM 0 HG2 ARG A 4 20.659 -36.925 -6.231 1.00 0.90 H new ATOM 0 HG3 ARG A 4 22.029 -37.957 -6.588 1.00 0.90 H new ATOM 0 HD2 ARG A 4 19.694 -38.852 -4.844 1.00 1.03 H new ATOM 0 HD3 ARG A 4 19.748 -39.120 -6.575 1.00 1.03 H new ATOM 0 HE ARG A 4 22.234 -40.118 -5.559 1.00 1.97 H new ATOM 0 HH11 ARG A 4 18.784 -40.618 -5.314 1.00 2.53 H new ATOM 0 HH12 ARG A 4 18.933 -42.328 -4.899 1.00 2.53 H new ATOM 0 HH21 ARG A 4 22.428 -42.308 -5.025 1.00 3.57 H new ATOM 0 HH22 ARG A 4 20.979 -43.277 -4.737 1.00 3.57 H new ATOM 65 N THR A 5 24.039 -35.867 -2.727 1.00 0.45 N ATOM 66 CA THR A 5 24.381 -35.214 -1.440 1.00 0.49 C ATOM 67 C THR A 5 24.681 -33.739 -1.716 1.00 0.44 C ATOM 68 O THR A 5 24.284 -32.865 -0.971 1.00 0.46 O ATOM 69 CB THR A 5 25.611 -35.902 -0.844 1.00 0.54 C ATOM 70 OG1 THR A 5 25.907 -35.327 0.420 1.00 0.68 O ATOM 71 CG2 THR A 5 26.811 -35.731 -1.783 1.00 0.57 C ATOM 0 H THR A 5 24.635 -36.651 -2.994 1.00 0.45 H new ATOM 0 HA THR A 5 23.555 -35.293 -0.733 1.00 0.49 H new ATOM 0 HB THR A 5 25.405 -36.965 -0.721 1.00 0.54 H new ATOM 0 HG1 THR A 5 26.694 -35.768 0.804 1.00 0.68 H new ATOM 0 HG21 THR A 5 27.683 -36.223 -1.352 1.00 0.57 H new ATOM 0 HG22 THR A 5 26.583 -36.178 -2.750 1.00 0.57 H new ATOM 0 HG23 THR A 5 27.022 -34.670 -1.915 1.00 0.57 H new ATOM 79 N LEU A 6 25.359 -33.451 -2.796 1.00 0.39 N ATOM 80 CA LEU A 6 25.656 -32.028 -3.126 1.00 0.36 C ATOM 81 C LEU A 6 24.340 -31.316 -3.465 1.00 0.32 C ATOM 82 O LEU A 6 24.102 -30.203 -3.040 1.00 0.33 O ATOM 83 CB LEU A 6 26.623 -31.982 -4.318 1.00 0.35 C ATOM 84 CG LEU A 6 26.962 -30.529 -4.701 1.00 0.35 C ATOM 85 CD1 LEU A 6 27.740 -29.810 -3.569 1.00 0.41 C ATOM 86 CD2 LEU A 6 27.782 -30.520 -6.010 1.00 0.36 C ATOM 0 H LEU A 6 25.718 -34.137 -3.460 1.00 0.39 H new ATOM 0 HA LEU A 6 26.123 -31.525 -2.279 1.00 0.36 H new ATOM 0 HB2 LEU A 6 27.538 -32.519 -4.069 1.00 0.35 H new ATOM 0 HB3 LEU A 6 26.177 -32.492 -5.172 1.00 0.35 H new ATOM 0 HG LEU A 6 26.029 -29.985 -4.852 1.00 0.35 H new ATOM 0 HD11 LEU A 6 27.963 -28.787 -3.873 1.00 0.41 H new ATOM 0 HD12 LEU A 6 27.134 -29.795 -2.663 1.00 0.41 H new ATOM 0 HD13 LEU A 6 28.671 -30.341 -3.373 1.00 0.41 H new ATOM 0 HD21 LEU A 6 28.022 -29.492 -6.282 1.00 0.36 H new ATOM 0 HD22 LEU A 6 28.705 -31.082 -5.865 1.00 0.36 H new ATOM 0 HD23 LEU A 6 27.199 -30.979 -6.808 1.00 0.36 H new ATOM 98 N LEU A 7 23.474 -31.956 -4.206 1.00 0.29 N ATOM 99 CA LEU A 7 22.165 -31.321 -4.545 1.00 0.26 C ATOM 100 C LEU A 7 21.387 -31.071 -3.253 1.00 0.30 C ATOM 101 O LEU A 7 20.743 -30.053 -3.091 1.00 0.29 O ATOM 102 CB LEU A 7 21.360 -32.246 -5.465 1.00 0.27 C ATOM 103 CG LEU A 7 21.924 -32.168 -6.896 1.00 0.24 C ATOM 104 CD1 LEU A 7 21.430 -33.357 -7.732 1.00 0.27 C ATOM 105 CD2 LEU A 7 21.490 -30.852 -7.577 1.00 0.23 C ATOM 0 H LEU A 7 23.616 -32.890 -4.591 1.00 0.29 H new ATOM 0 HA LEU A 7 22.337 -30.376 -5.061 1.00 0.26 H new ATOM 0 HB2 LEU A 7 21.409 -33.272 -5.099 1.00 0.27 H new ATOM 0 HB3 LEU A 7 20.309 -31.956 -5.461 1.00 0.27 H new ATOM 0 HG LEU A 7 23.012 -32.198 -6.833 1.00 0.24 H new ATOM 0 HD11 LEU A 7 21.838 -33.287 -8.741 1.00 0.27 H new ATOM 0 HD12 LEU A 7 21.760 -34.288 -7.271 1.00 0.27 H new ATOM 0 HD13 LEU A 7 20.341 -33.341 -7.779 1.00 0.27 H new ATOM 0 HD21 LEU A 7 21.897 -30.814 -8.587 1.00 0.23 H new ATOM 0 HD22 LEU A 7 20.402 -30.808 -7.623 1.00 0.23 H new ATOM 0 HD23 LEU A 7 21.864 -30.005 -7.003 1.00 0.23 H new ATOM 117 N ALA A 8 21.442 -31.992 -2.330 1.00 0.34 N ATOM 118 CA ALA A 8 20.704 -31.800 -1.052 1.00 0.39 C ATOM 119 C ALA A 8 21.199 -30.512 -0.391 1.00 0.38 C ATOM 120 O ALA A 8 20.424 -29.727 0.116 1.00 0.38 O ATOM 121 CB ALA A 8 20.957 -33.000 -0.130 1.00 0.45 C ATOM 0 H ALA A 8 21.964 -32.865 -2.406 1.00 0.34 H new ATOM 0 HA ALA A 8 19.633 -31.725 -1.242 1.00 0.39 H new ATOM 0 HB1 ALA A 8 20.417 -32.860 0.806 1.00 0.45 H new ATOM 0 HB2 ALA A 8 20.610 -33.912 -0.616 1.00 0.45 H new ATOM 0 HB3 ALA A 8 22.024 -33.082 0.076 1.00 0.45 H new ATOM 127 N GLY A 9 22.484 -30.282 -0.407 1.00 0.38 N ATOM 128 CA GLY A 9 23.024 -29.036 0.206 1.00 0.38 C ATOM 129 C GLY A 9 22.564 -27.830 -0.618 1.00 0.34 C ATOM 130 O GLY A 9 22.102 -26.841 -0.084 1.00 0.34 O ATOM 0 H GLY A 9 23.182 -30.902 -0.818 1.00 0.38 H new ATOM 0 HA2 GLY A 9 22.677 -28.942 1.235 1.00 0.38 H new ATOM 0 HA3 GLY A 9 24.113 -29.075 0.239 1.00 0.38 H new ATOM 134 N ILE A 10 22.686 -27.905 -1.919 1.00 0.30 N ATOM 135 CA ILE A 10 22.252 -26.764 -2.778 1.00 0.27 C ATOM 136 C ILE A 10 20.760 -26.505 -2.563 1.00 0.25 C ATOM 137 O ILE A 10 20.340 -25.381 -2.367 1.00 0.25 O ATOM 138 CB ILE A 10 22.490 -27.101 -4.258 1.00 0.24 C ATOM 139 CG1 ILE A 10 23.997 -27.250 -4.520 1.00 0.28 C ATOM 140 CG2 ILE A 10 21.905 -26.002 -5.183 1.00 0.25 C ATOM 141 CD1 ILE A 10 24.229 -27.691 -5.982 1.00 0.26 C ATOM 0 H ILE A 10 23.067 -28.706 -2.422 1.00 0.30 H new ATOM 0 HA ILE A 10 22.828 -25.879 -2.509 1.00 0.27 H new ATOM 0 HB ILE A 10 21.983 -28.040 -4.480 1.00 0.24 H new ATOM 0 HG12 ILE A 10 24.504 -26.304 -4.330 1.00 0.28 H new ATOM 0 HG13 ILE A 10 24.424 -27.984 -3.836 1.00 0.28 H new ATOM 0 HG21 ILE A 10 22.088 -26.267 -6.224 1.00 0.25 H new ATOM 0 HG22 ILE A 10 20.832 -25.917 -5.014 1.00 0.25 H new ATOM 0 HG23 ILE A 10 22.383 -25.048 -4.962 1.00 0.25 H new ATOM 0 HD11 ILE A 10 25.298 -27.796 -6.165 1.00 0.26 H new ATOM 0 HD12 ILE A 10 23.736 -28.647 -6.156 1.00 0.26 H new ATOM 0 HD13 ILE A 10 23.817 -26.942 -6.658 1.00 0.26 H new ATOM 153 N VAL A 11 19.949 -27.527 -2.610 1.00 0.25 N ATOM 154 CA VAL A 11 18.486 -27.308 -2.422 1.00 0.27 C ATOM 155 C VAL A 11 18.259 -26.689 -1.042 1.00 0.28 C ATOM 156 O VAL A 11 17.451 -25.796 -0.876 1.00 0.28 O ATOM 157 CB VAL A 11 17.745 -28.655 -2.520 1.00 0.30 C ATOM 158 CG1 VAL A 11 16.281 -28.466 -2.093 1.00 0.35 C ATOM 159 CG2 VAL A 11 17.827 -29.207 -3.966 1.00 0.29 C ATOM 0 H VAL A 11 20.232 -28.494 -2.769 1.00 0.25 H new ATOM 0 HA VAL A 11 18.105 -26.640 -3.194 1.00 0.27 H new ATOM 0 HB VAL A 11 18.217 -29.377 -1.854 1.00 0.30 H new ATOM 0 HG11 VAL A 11 15.756 -29.419 -2.162 1.00 0.35 H new ATOM 0 HG12 VAL A 11 16.245 -28.106 -1.065 1.00 0.35 H new ATOM 0 HG13 VAL A 11 15.802 -27.739 -2.749 1.00 0.35 H new ATOM 0 HG21 VAL A 11 17.300 -30.159 -4.022 1.00 0.29 H new ATOM 0 HG22 VAL A 11 17.368 -28.497 -4.653 1.00 0.29 H new ATOM 0 HG23 VAL A 11 18.872 -29.354 -4.241 1.00 0.29 H new ATOM 169 N GLN A 12 18.969 -27.153 -0.054 1.00 0.31 N ATOM 170 CA GLN A 12 18.801 -26.587 1.314 1.00 0.34 C ATOM 171 C GLN A 12 19.246 -25.122 1.315 1.00 0.31 C ATOM 172 O GLN A 12 18.638 -24.282 1.948 1.00 0.32 O ATOM 173 CB GLN A 12 19.651 -27.399 2.310 1.00 0.39 C ATOM 174 CG GLN A 12 18.754 -28.234 3.230 1.00 1.19 C ATOM 175 CD GLN A 12 19.627 -29.021 4.206 1.00 1.63 C ATOM 176 OE1 GLN A 12 20.295 -29.960 3.820 1.00 1.99 O ATOM 177 NE2 GLN A 12 19.657 -28.669 5.462 1.00 2.40 N ATOM 0 H GLN A 12 19.659 -27.900 -0.133 1.00 0.31 H new ATOM 0 HA GLN A 12 17.754 -26.642 1.611 1.00 0.34 H new ATOM 0 HB2 GLN A 12 20.332 -28.053 1.766 1.00 0.39 H new ATOM 0 HB3 GLN A 12 20.265 -26.724 2.907 1.00 0.39 H new ATOM 0 HG2 GLN A 12 18.070 -27.585 3.777 1.00 1.19 H new ATOM 0 HG3 GLN A 12 18.142 -28.916 2.640 1.00 1.19 H new ATOM 0 HE21 GLN A 12 19.096 -27.881 5.784 1.00 2.40 H new ATOM 0 HE22 GLN A 12 20.242 -29.182 6.122 1.00 2.40 H new ATOM 186 N GLN A 13 20.308 -24.809 0.628 1.00 0.29 N ATOM 187 CA GLN A 13 20.782 -23.400 0.622 1.00 0.28 C ATOM 188 C GLN A 13 19.681 -22.501 0.059 1.00 0.24 C ATOM 189 O GLN A 13 19.443 -21.416 0.551 1.00 0.25 O ATOM 190 CB GLN A 13 22.052 -23.286 -0.231 1.00 0.28 C ATOM 191 CG GLN A 13 22.645 -21.875 -0.121 1.00 0.30 C ATOM 192 CD GLN A 13 23.305 -21.680 1.249 1.00 0.38 C ATOM 193 OE1 GLN A 13 22.640 -21.650 2.265 1.00 0.84 O ATOM 194 NE2 GLN A 13 24.599 -21.528 1.320 1.00 0.63 N ATOM 0 H GLN A 13 20.863 -25.462 0.075 1.00 0.29 H new ATOM 0 HA GLN A 13 21.015 -23.085 1.639 1.00 0.28 H new ATOM 0 HB2 GLN A 13 22.786 -24.022 0.097 1.00 0.28 H new ATOM 0 HB3 GLN A 13 21.820 -23.510 -1.272 1.00 0.28 H new ATOM 0 HG2 GLN A 13 23.379 -21.719 -0.911 1.00 0.30 H new ATOM 0 HG3 GLN A 13 21.861 -21.132 -0.263 1.00 0.30 H new ATOM 0 HE21 GLN A 13 25.163 -21.552 0.470 1.00 0.63 H new ATOM 0 HE22 GLN A 13 25.047 -21.385 2.225 1.00 0.63 H new ATOM 203 N GLN A 14 18.997 -22.942 -0.960 1.00 0.22 N ATOM 204 CA GLN A 14 17.906 -22.109 -1.533 1.00 0.20 C ATOM 205 C GLN A 14 16.837 -21.878 -0.462 1.00 0.22 C ATOM 206 O GLN A 14 16.316 -20.791 -0.314 1.00 0.21 O ATOM 207 CB GLN A 14 17.285 -22.838 -2.724 1.00 0.20 C ATOM 208 CG GLN A 14 18.283 -22.859 -3.882 1.00 0.18 C ATOM 209 CD GLN A 14 17.664 -23.588 -5.074 1.00 0.19 C ATOM 210 OE1 GLN A 14 17.706 -23.034 -6.254 1.00 0.29 O flip ATOM 211 NE2 GLN A 14 17.132 -24.672 -4.930 1.00 0.23 N flip ATOM 0 H GLN A 14 19.146 -23.841 -1.419 1.00 0.22 H new ATOM 0 HA GLN A 14 18.307 -21.151 -1.863 1.00 0.20 H new ATOM 0 HB2 GLN A 14 17.017 -23.856 -2.442 1.00 0.20 H new ATOM 0 HB3 GLN A 14 16.365 -22.339 -3.031 1.00 0.20 H new ATOM 0 HG2 GLN A 14 18.551 -21.841 -4.164 1.00 0.18 H new ATOM 0 HG3 GLN A 14 19.203 -23.357 -3.575 1.00 0.18 H new ATOM 0 HE21 GLN A 14 17.099 -25.105 -4.007 1.00 0.23 H new ATOM 0 HE22 GLN A 14 16.719 -25.148 -5.732 1.00 0.23 H new ATOM 220 N GLN A 15 16.510 -22.897 0.287 1.00 0.26 N ATOM 221 CA GLN A 15 15.479 -22.740 1.350 1.00 0.29 C ATOM 222 C GLN A 15 15.941 -21.681 2.354 1.00 0.28 C ATOM 223 O GLN A 15 15.177 -20.833 2.773 1.00 0.29 O ATOM 224 CB GLN A 15 15.280 -24.079 2.066 1.00 0.34 C ATOM 225 CG GLN A 15 14.204 -23.937 3.146 1.00 0.38 C ATOM 226 CD GLN A 15 13.967 -25.295 3.809 1.00 0.44 C ATOM 227 OE1 GLN A 15 14.701 -26.235 3.575 1.00 0.81 O ATOM 228 NE2 GLN A 15 12.963 -25.441 4.630 1.00 0.81 N ATOM 0 H GLN A 15 16.913 -23.831 0.208 1.00 0.26 H new ATOM 0 HA GLN A 15 14.536 -22.426 0.903 1.00 0.29 H new ATOM 0 HB2 GLN A 15 14.988 -24.845 1.348 1.00 0.34 H new ATOM 0 HB3 GLN A 15 16.218 -24.404 2.516 1.00 0.34 H new ATOM 0 HG2 GLN A 15 14.516 -23.205 3.892 1.00 0.38 H new ATOM 0 HG3 GLN A 15 13.278 -23.568 2.706 1.00 0.38 H new ATOM 0 HE21 GLN A 15 12.346 -24.653 4.827 1.00 0.81 H new ATOM 0 HE22 GLN A 15 12.795 -26.343 5.075 1.00 0.81 H new ATOM 237 N GLN A 16 17.185 -21.727 2.750 1.00 0.28 N ATOM 238 CA GLN A 16 17.690 -20.728 3.732 1.00 0.29 C ATOM 239 C GLN A 16 17.619 -19.328 3.118 1.00 0.25 C ATOM 240 O GLN A 16 17.251 -18.373 3.773 1.00 0.25 O ATOM 241 CB GLN A 16 19.138 -21.064 4.095 1.00 0.31 C ATOM 242 CG GLN A 16 19.161 -22.346 4.931 1.00 0.36 C ATOM 243 CD GLN A 16 20.604 -22.698 5.301 1.00 0.39 C ATOM 244 OE1 GLN A 16 21.562 -21.859 5.019 1.00 0.92 O flip ATOM 245 NE2 GLN A 16 20.860 -23.745 5.861 1.00 0.87 N flip ATOM 0 H GLN A 16 17.871 -22.413 2.436 1.00 0.28 H new ATOM 0 HA GLN A 16 17.077 -20.755 4.633 1.00 0.29 H new ATOM 0 HB2 GLN A 16 19.732 -21.195 3.190 1.00 0.31 H new ATOM 0 HB3 GLN A 16 19.586 -20.242 4.654 1.00 0.31 H new ATOM 0 HG2 GLN A 16 18.566 -22.212 5.835 1.00 0.36 H new ATOM 0 HG3 GLN A 16 18.710 -23.165 4.371 1.00 0.36 H new ATOM 0 HE21 GLN A 16 20.111 -24.402 6.082 1.00 0.87 H new ATOM 0 HE22 GLN A 16 21.824 -23.968 6.110 1.00 0.87 H new ATOM 254 N LEU A 17 17.947 -19.197 1.860 1.00 0.22 N ATOM 255 CA LEU A 17 17.872 -17.857 1.213 1.00 0.19 C ATOM 256 C LEU A 17 16.413 -17.399 1.187 1.00 0.18 C ATOM 257 O LEU A 17 16.105 -16.251 1.435 1.00 0.18 O ATOM 258 CB LEU A 17 18.403 -17.946 -0.224 1.00 0.16 C ATOM 259 CG LEU A 17 19.925 -18.157 -0.230 1.00 0.18 C ATOM 260 CD1 LEU A 17 20.365 -18.546 -1.645 1.00 0.18 C ATOM 261 CD2 LEU A 17 20.648 -16.866 0.186 1.00 0.20 C ATOM 0 H LEU A 17 18.262 -19.956 1.256 1.00 0.22 H new ATOM 0 HA LEU A 17 18.476 -17.145 1.775 1.00 0.19 H new ATOM 0 HB2 LEU A 17 17.915 -18.769 -0.747 1.00 0.16 H new ATOM 0 HB3 LEU A 17 18.156 -17.033 -0.765 1.00 0.16 H new ATOM 0 HG LEU A 17 20.179 -18.946 0.478 1.00 0.18 H new ATOM 0 HD11 LEU A 17 21.444 -18.698 -1.661 1.00 0.18 H new ATOM 0 HD12 LEU A 17 19.864 -19.467 -1.941 1.00 0.18 H new ATOM 0 HD13 LEU A 17 20.100 -17.749 -2.340 1.00 0.18 H new ATOM 0 HD21 LEU A 17 21.725 -17.033 0.176 1.00 0.20 H new ATOM 0 HD22 LEU A 17 20.398 -16.068 -0.513 1.00 0.20 H new ATOM 0 HD23 LEU A 17 20.334 -16.580 1.190 1.00 0.20 H new ATOM 273 N LEU A 18 15.514 -18.296 0.892 1.00 0.19 N ATOM 274 CA LEU A 18 14.072 -17.928 0.853 1.00 0.20 C ATOM 275 C LEU A 18 13.649 -17.416 2.233 1.00 0.22 C ATOM 276 O LEU A 18 12.952 -16.429 2.354 1.00 0.22 O ATOM 277 CB LEU A 18 13.256 -19.171 0.481 1.00 0.22 C ATOM 278 CG LEU A 18 11.756 -18.842 0.427 1.00 0.25 C ATOM 279 CD1 LEU A 18 11.480 -17.808 -0.687 1.00 0.26 C ATOM 280 CD2 LEU A 18 10.961 -20.130 0.155 1.00 0.29 C ATOM 0 H LEU A 18 15.717 -19.272 0.675 1.00 0.19 H new ATOM 0 HA LEU A 18 13.899 -17.146 0.114 1.00 0.20 H new ATOM 0 HB2 LEU A 18 13.585 -19.551 -0.486 1.00 0.22 H new ATOM 0 HB3 LEU A 18 13.434 -19.960 1.211 1.00 0.22 H new ATOM 0 HG LEU A 18 11.445 -18.419 1.382 1.00 0.25 H new ATOM 0 HD11 LEU A 18 10.414 -17.581 -0.717 1.00 0.26 H new ATOM 0 HD12 LEU A 18 12.039 -16.895 -0.483 1.00 0.26 H new ATOM 0 HD13 LEU A 18 11.791 -18.217 -1.648 1.00 0.26 H new ATOM 0 HD21 LEU A 18 9.896 -19.899 0.116 1.00 0.29 H new ATOM 0 HD22 LEU A 18 11.275 -20.557 -0.798 1.00 0.29 H new ATOM 0 HD23 LEU A 18 11.148 -20.848 0.953 1.00 0.29 H new ATOM 292 N ASP A 19 14.059 -18.087 3.274 1.00 0.25 N ATOM 293 CA ASP A 19 13.674 -17.647 4.644 1.00 0.28 C ATOM 294 C ASP A 19 14.193 -16.229 4.898 1.00 0.26 C ATOM 295 O ASP A 19 13.473 -15.374 5.372 1.00 0.27 O ATOM 296 CB ASP A 19 14.278 -18.607 5.674 1.00 0.32 C ATOM 297 CG ASP A 19 13.889 -18.166 7.087 1.00 0.36 C ATOM 298 OD1 ASP A 19 13.355 -17.077 7.223 1.00 1.12 O ATOM 299 OD2 ASP A 19 14.130 -18.926 8.010 1.00 1.13 O ATOM 0 H ASP A 19 14.644 -18.921 3.235 1.00 0.25 H new ATOM 0 HA ASP A 19 12.588 -17.651 4.733 1.00 0.28 H new ATOM 0 HB2 ASP A 19 13.924 -19.621 5.490 1.00 0.32 H new ATOM 0 HB3 ASP A 19 15.363 -18.625 5.575 1.00 0.32 H new ATOM 304 N VAL A 20 15.439 -15.971 4.603 1.00 0.25 N ATOM 305 CA VAL A 20 15.991 -14.607 4.847 1.00 0.24 C ATOM 306 C VAL A 20 15.208 -13.570 4.040 1.00 0.21 C ATOM 307 O VAL A 20 14.925 -12.489 4.516 1.00 0.22 O ATOM 308 CB VAL A 20 17.461 -14.548 4.424 1.00 0.24 C ATOM 309 CG1 VAL A 20 17.980 -13.107 4.570 1.00 0.24 C ATOM 310 CG2 VAL A 20 18.277 -15.487 5.310 1.00 0.30 C ATOM 0 H VAL A 20 16.096 -16.642 4.205 1.00 0.25 H new ATOM 0 HA VAL A 20 15.905 -14.389 5.912 1.00 0.24 H new ATOM 0 HB VAL A 20 17.558 -14.858 3.383 1.00 0.24 H new ATOM 0 HG11 VAL A 20 19.027 -13.065 4.269 1.00 0.24 H new ATOM 0 HG12 VAL A 20 17.393 -12.443 3.936 1.00 0.24 H new ATOM 0 HG13 VAL A 20 17.889 -12.791 5.609 1.00 0.24 H new ATOM 0 HG21 VAL A 20 19.325 -15.449 5.013 1.00 0.30 H new ATOM 0 HG22 VAL A 20 18.184 -15.178 6.351 1.00 0.30 H new ATOM 0 HG23 VAL A 20 17.906 -16.506 5.200 1.00 0.30 H new ATOM 320 N VAL A 21 14.858 -13.882 2.823 1.00 0.18 N ATOM 321 CA VAL A 21 14.099 -12.898 2.002 1.00 0.17 C ATOM 322 C VAL A 21 12.793 -12.587 2.726 1.00 0.22 C ATOM 323 O VAL A 21 12.378 -11.448 2.825 1.00 0.21 O ATOM 324 CB VAL A 21 13.795 -13.520 0.628 1.00 0.17 C ATOM 325 CG1 VAL A 21 12.836 -12.624 -0.184 1.00 0.20 C ATOM 326 CG2 VAL A 21 15.113 -13.754 -0.155 1.00 0.14 C ATOM 0 H VAL A 21 15.063 -14.770 2.364 1.00 0.18 H new ATOM 0 HA VAL A 21 14.676 -11.984 1.861 1.00 0.17 H new ATOM 0 HB VAL A 21 13.304 -14.480 0.787 1.00 0.17 H new ATOM 0 HG11 VAL A 21 12.637 -13.086 -1.151 1.00 0.20 H new ATOM 0 HG12 VAL A 21 11.899 -12.506 0.361 1.00 0.20 H new ATOM 0 HG13 VAL A 21 13.293 -11.646 -0.336 1.00 0.20 H new ATOM 0 HG21 VAL A 21 14.886 -14.195 -1.126 1.00 0.14 H new ATOM 0 HG22 VAL A 21 15.625 -12.802 -0.299 1.00 0.14 H new ATOM 0 HG23 VAL A 21 15.756 -14.430 0.409 1.00 0.14 H new ATOM 336 N LYS A 22 12.133 -13.595 3.216 1.00 0.27 N ATOM 337 CA LYS A 22 10.847 -13.359 3.915 1.00 0.32 C ATOM 338 C LYS A 22 11.083 -12.446 5.115 1.00 0.32 C ATOM 339 O LYS A 22 10.296 -11.568 5.408 1.00 0.33 O ATOM 340 CB LYS A 22 10.277 -14.693 4.396 1.00 0.39 C ATOM 341 CG LYS A 22 8.925 -14.438 5.057 1.00 0.46 C ATOM 342 CD LYS A 22 8.272 -15.763 5.441 1.00 0.75 C ATOM 343 CE LYS A 22 6.880 -15.476 6.004 1.00 1.12 C ATOM 344 NZ LYS A 22 6.329 -16.710 6.629 1.00 1.91 N ATOM 0 H LYS A 22 12.429 -14.570 3.162 1.00 0.27 H new ATOM 0 HA LYS A 22 10.142 -12.888 3.231 1.00 0.32 H new ATOM 0 HB2 LYS A 22 10.164 -15.380 3.557 1.00 0.39 H new ATOM 0 HB3 LYS A 22 10.961 -15.163 5.103 1.00 0.39 H new ATOM 0 HG2 LYS A 22 9.056 -13.818 5.944 1.00 0.46 H new ATOM 0 HG3 LYS A 22 8.276 -13.888 4.376 1.00 0.46 H new ATOM 0 HD2 LYS A 22 8.201 -16.416 4.571 1.00 0.75 H new ATOM 0 HD3 LYS A 22 8.880 -16.284 6.181 1.00 0.75 H new ATOM 0 HE2 LYS A 22 6.933 -14.675 6.742 1.00 1.12 H new ATOM 0 HE3 LYS A 22 6.219 -15.133 5.208 1.00 1.12 H new ATOM 0 HZ1 LYS A 22 5.382 -16.512 7.011 1.00 1.91 H new ATOM 0 HZ2 LYS A 22 6.264 -17.462 5.914 1.00 1.91 H new ATOM 0 HZ3 LYS A 22 6.956 -17.019 7.399 1.00 1.91 H new ATOM 358 N ARG A 23 12.162 -12.651 5.813 1.00 0.33 N ATOM 359 CA ARG A 23 12.454 -11.805 7.000 1.00 0.34 C ATOM 360 C ARG A 23 12.580 -10.344 6.574 1.00 0.29 C ATOM 361 O ARG A 23 12.109 -9.448 7.246 1.00 0.29 O ATOM 362 CB ARG A 23 13.768 -12.276 7.625 1.00 0.38 C ATOM 363 CG ARG A 23 13.621 -13.733 8.126 1.00 0.59 C ATOM 364 CD ARG A 23 13.968 -13.821 9.609 1.00 0.93 C ATOM 365 NE ARG A 23 13.898 -15.269 9.996 1.00 0.81 N ATOM 366 CZ ARG A 23 13.087 -15.723 10.903 1.00 1.05 C ATOM 367 NH1 ARG A 23 12.249 -14.921 11.504 1.00 1.68 N ATOM 368 NH2 ARG A 23 13.102 -16.992 11.207 1.00 1.08 N ATOM 0 H ARG A 23 12.857 -13.370 5.612 1.00 0.33 H new ATOM 0 HA ARG A 23 11.645 -11.891 7.726 1.00 0.34 H new ATOM 0 HB2 ARG A 23 14.572 -12.214 6.892 1.00 0.38 H new ATOM 0 HB3 ARG A 23 14.041 -11.623 8.454 1.00 0.38 H new ATOM 0 HG2 ARG A 23 12.600 -14.079 7.963 1.00 0.59 H new ATOM 0 HG3 ARG A 23 14.276 -14.390 7.553 1.00 0.59 H new ATOM 0 HD2 ARG A 23 14.965 -13.421 9.795 1.00 0.93 H new ATOM 0 HD3 ARG A 23 13.271 -13.230 10.203 1.00 0.93 H new ATOM 0 HE ARG A 23 14.517 -15.928 9.524 1.00 0.81 H new ATOM 0 HH11 ARG A 23 12.228 -13.930 11.262 1.00 1.68 H new ATOM 0 HH12 ARG A 23 11.615 -15.285 12.215 1.00 1.68 H new ATOM 0 HH21 ARG A 23 13.749 -17.622 10.733 1.00 1.08 H new ATOM 0 HH22 ARG A 23 12.467 -17.353 11.919 1.00 1.08 H new ATOM 382 N GLN A 24 13.201 -10.096 5.457 1.00 0.24 N ATOM 383 CA GLN A 24 13.344 -8.695 4.982 1.00 0.19 C ATOM 384 C GLN A 24 11.949 -8.104 4.782 1.00 0.19 C ATOM 385 O GLN A 24 11.698 -6.952 5.077 1.00 0.18 O ATOM 386 CB GLN A 24 14.116 -8.679 3.661 1.00 0.16 C ATOM 387 CG GLN A 24 15.576 -9.055 3.928 1.00 0.17 C ATOM 388 CD GLN A 24 16.354 -9.076 2.611 1.00 0.16 C ATOM 389 OE1 GLN A 24 15.788 -9.304 1.561 1.00 0.18 O ATOM 390 NE2 GLN A 24 17.639 -8.846 2.625 1.00 0.18 N ATOM 0 H GLN A 24 13.616 -10.804 4.852 1.00 0.24 H new ATOM 0 HA GLN A 24 13.892 -8.103 5.715 1.00 0.19 H new ATOM 0 HB2 GLN A 24 13.670 -9.381 2.957 1.00 0.16 H new ATOM 0 HB3 GLN A 24 14.060 -7.691 3.205 1.00 0.16 H new ATOM 0 HG2 GLN A 24 16.026 -8.339 4.615 1.00 0.17 H new ATOM 0 HG3 GLN A 24 15.628 -10.033 4.407 1.00 0.17 H new ATOM 0 HE21 GLN A 24 18.113 -8.655 3.508 1.00 0.18 H new ATOM 0 HE22 GLN A 24 18.169 -8.858 1.753 1.00 0.18 H new ATOM 399 N GLN A 25 11.037 -8.893 4.281 1.00 0.21 N ATOM 400 CA GLN A 25 9.653 -8.392 4.056 1.00 0.23 C ATOM 401 C GLN A 25 9.048 -7.935 5.387 1.00 0.25 C ATOM 402 O GLN A 25 8.486 -6.862 5.486 1.00 0.25 O ATOM 403 CB GLN A 25 8.801 -9.525 3.476 1.00 0.28 C ATOM 404 CG GLN A 25 7.427 -8.989 3.065 1.00 0.32 C ATOM 405 CD GLN A 25 7.586 -8.015 1.896 1.00 0.34 C ATOM 406 OE1 GLN A 25 8.215 -8.334 0.907 1.00 1.06 O ATOM 407 NE2 GLN A 25 7.041 -6.833 1.969 1.00 1.13 N ATOM 0 H GLN A 25 11.193 -9.866 4.017 1.00 0.21 H new ATOM 0 HA GLN A 25 9.676 -7.551 3.363 1.00 0.23 H new ATOM 0 HB2 GLN A 25 9.303 -9.963 2.613 1.00 0.28 H new ATOM 0 HB3 GLN A 25 8.685 -10.319 4.214 1.00 0.28 H new ATOM 0 HG2 GLN A 25 6.774 -9.814 2.778 1.00 0.32 H new ATOM 0 HG3 GLN A 25 6.954 -8.486 3.909 1.00 0.32 H new ATOM 0 HE21 GLN A 25 6.513 -6.565 2.800 1.00 1.13 H new ATOM 0 HE22 GLN A 25 7.143 -6.176 1.196 1.00 1.13 H new ATOM 416 N GLU A 26 9.155 -8.738 6.410 1.00 0.27 N ATOM 417 CA GLU A 26 8.583 -8.344 7.729 1.00 0.29 C ATOM 418 C GLU A 26 9.350 -7.141 8.282 1.00 0.26 C ATOM 419 O GLU A 26 8.774 -6.223 8.835 1.00 0.26 O ATOM 420 CB GLU A 26 8.695 -9.524 8.697 1.00 0.34 C ATOM 421 CG GLU A 26 7.724 -10.623 8.262 1.00 0.54 C ATOM 422 CD GLU A 26 7.830 -11.813 9.218 1.00 1.19 C ATOM 423 OE1 GLU A 26 8.797 -11.869 9.959 1.00 1.85 O ATOM 424 OE2 GLU A 26 6.938 -12.645 9.197 1.00 1.94 O ATOM 0 H GLU A 26 9.613 -9.649 6.390 1.00 0.27 H new ATOM 0 HA GLU A 26 7.534 -8.071 7.610 1.00 0.29 H new ATOM 0 HB2 GLU A 26 9.716 -9.906 8.707 1.00 0.34 H new ATOM 0 HB3 GLU A 26 8.466 -9.200 9.712 1.00 0.34 H new ATOM 0 HG2 GLU A 26 6.704 -10.239 8.256 1.00 0.54 H new ATOM 0 HG3 GLU A 26 7.951 -10.940 7.244 1.00 0.54 H new ATOM 431 N LEU A 27 10.645 -7.128 8.125 1.00 0.24 N ATOM 432 CA LEU A 27 11.444 -5.975 8.629 1.00 0.22 C ATOM 433 C LEU A 27 11.006 -4.708 7.892 1.00 0.19 C ATOM 434 O LEU A 27 10.883 -3.647 8.472 1.00 0.19 O ATOM 435 CB LEU A 27 12.932 -6.248 8.380 1.00 0.22 C ATOM 436 CG LEU A 27 13.780 -5.011 8.724 1.00 0.22 C ATOM 437 CD1 LEU A 27 13.446 -4.529 10.143 1.00 0.25 C ATOM 438 CD2 LEU A 27 15.287 -5.361 8.615 1.00 0.23 C ATOM 0 H LEU A 27 11.184 -7.865 7.670 1.00 0.24 H new ATOM 0 HA LEU A 27 11.283 -5.841 9.699 1.00 0.22 H new ATOM 0 HB2 LEU A 27 13.257 -7.096 8.983 1.00 0.22 H new ATOM 0 HB3 LEU A 27 13.086 -6.521 7.336 1.00 0.22 H new ATOM 0 HG LEU A 27 13.553 -4.211 8.019 1.00 0.22 H new ATOM 0 HD11 LEU A 27 14.049 -3.653 10.381 1.00 0.25 H new ATOM 0 HD12 LEU A 27 12.389 -4.268 10.199 1.00 0.25 H new ATOM 0 HD13 LEU A 27 13.662 -5.323 10.857 1.00 0.25 H new ATOM 0 HD21 LEU A 27 15.883 -4.482 8.859 1.00 0.23 H new ATOM 0 HD22 LEU A 27 15.525 -6.166 9.311 1.00 0.23 H new ATOM 0 HD23 LEU A 27 15.513 -5.682 7.598 1.00 0.23 H new ATOM 450 N LEU A 28 10.761 -4.817 6.615 1.00 0.18 N ATOM 451 CA LEU A 28 10.322 -3.630 5.830 1.00 0.18 C ATOM 452 C LEU A 28 9.010 -3.092 6.406 1.00 0.20 C ATOM 453 O LEU A 28 8.800 -1.899 6.490 1.00 0.20 O ATOM 454 CB LEU A 28 10.104 -4.048 4.370 1.00 0.18 C ATOM 455 CG LEU A 28 11.452 -4.185 3.632 1.00 0.18 C ATOM 456 CD1 LEU A 28 11.289 -5.084 2.375 1.00 0.21 C ATOM 457 CD2 LEU A 28 11.958 -2.789 3.216 1.00 0.22 C ATOM 0 H LEU A 28 10.847 -5.681 6.080 1.00 0.18 H new ATOM 0 HA LEU A 28 11.085 -2.853 5.882 1.00 0.18 H new ATOM 0 HB2 LEU A 28 9.567 -4.996 4.335 1.00 0.18 H new ATOM 0 HB3 LEU A 28 9.481 -3.310 3.865 1.00 0.18 H new ATOM 0 HG LEU A 28 12.177 -4.648 4.301 1.00 0.18 H new ATOM 0 HD11 LEU A 28 12.248 -5.172 1.864 1.00 0.21 H new ATOM 0 HD12 LEU A 28 10.947 -6.074 2.677 1.00 0.21 H new ATOM 0 HD13 LEU A 28 10.558 -4.638 1.701 1.00 0.21 H new ATOM 0 HD21 LEU A 28 12.910 -2.888 2.695 1.00 0.22 H new ATOM 0 HD22 LEU A 28 11.229 -2.320 2.555 1.00 0.22 H new ATOM 0 HD23 LEU A 28 12.093 -2.171 4.104 1.00 0.22 H new ATOM 469 N ARG A 29 8.119 -3.960 6.789 1.00 0.22 N ATOM 470 CA ARG A 29 6.820 -3.489 7.341 1.00 0.24 C ATOM 471 C ARG A 29 7.063 -2.675 8.611 1.00 0.24 C ATOM 472 O ARG A 29 6.432 -1.663 8.841 1.00 0.24 O ATOM 473 CB ARG A 29 5.946 -4.700 7.656 1.00 0.27 C ATOM 474 CG ARG A 29 5.541 -5.353 6.336 1.00 0.29 C ATOM 475 CD ARG A 29 4.636 -6.553 6.599 1.00 0.33 C ATOM 476 NE ARG A 29 4.366 -7.213 5.289 1.00 0.38 N ATOM 477 CZ ARG A 29 3.642 -8.293 5.227 1.00 0.88 C ATOM 478 NH1 ARG A 29 3.068 -8.755 6.304 1.00 1.83 N ATOM 479 NH2 ARG A 29 3.473 -8.898 4.083 1.00 0.86 N ATOM 0 H ARG A 29 8.233 -4.973 6.744 1.00 0.22 H new ATOM 0 HA ARG A 29 6.316 -2.856 6.610 1.00 0.24 H new ATOM 0 HB2 ARG A 29 6.490 -5.409 8.280 1.00 0.27 H new ATOM 0 HB3 ARG A 29 5.062 -4.395 8.216 1.00 0.27 H new ATOM 0 HG2 ARG A 29 5.024 -4.629 5.707 1.00 0.29 H new ATOM 0 HG3 ARG A 29 6.430 -5.671 5.791 1.00 0.29 H new ATOM 0 HD2 ARG A 29 5.115 -7.250 7.287 1.00 0.33 H new ATOM 0 HD3 ARG A 29 3.704 -6.234 7.066 1.00 0.33 H new ATOM 0 HE ARG A 29 4.752 -6.814 4.433 1.00 0.38 H new ATOM 0 HH11 ARG A 29 3.187 -8.270 7.193 1.00 1.83 H new ATOM 0 HH12 ARG A 29 2.500 -9.601 6.256 1.00 1.83 H new ATOM 0 HH21 ARG A 29 3.908 -8.524 3.239 1.00 0.86 H new ATOM 0 HH22 ARG A 29 2.906 -9.744 4.033 1.00 0.86 H new ATOM 493 N LEU A 30 7.978 -3.101 9.435 1.00 0.23 N ATOM 494 CA LEU A 30 8.260 -2.340 10.682 1.00 0.23 C ATOM 495 C LEU A 30 8.766 -0.944 10.310 1.00 0.21 C ATOM 496 O LEU A 30 8.410 0.041 10.928 1.00 0.22 O ATOM 497 CB LEU A 30 9.326 -3.078 11.496 1.00 0.24 C ATOM 498 CG LEU A 30 8.829 -4.482 11.861 1.00 0.27 C ATOM 499 CD1 LEU A 30 9.929 -5.208 12.638 1.00 0.29 C ATOM 500 CD2 LEU A 30 7.552 -4.391 12.716 1.00 0.33 C ATOM 0 H LEU A 30 8.541 -3.941 9.299 1.00 0.23 H new ATOM 0 HA LEU A 30 7.352 -2.251 11.278 1.00 0.23 H new ATOM 0 HB2 LEU A 30 10.250 -3.148 10.922 1.00 0.24 H new ATOM 0 HB3 LEU A 30 9.556 -2.518 12.402 1.00 0.24 H new ATOM 0 HG LEU A 30 8.593 -5.034 10.951 1.00 0.27 H new ATOM 0 HD11 LEU A 30 9.587 -6.208 12.903 1.00 0.29 H new ATOM 0 HD12 LEU A 30 10.823 -5.282 12.019 1.00 0.29 H new ATOM 0 HD13 LEU A 30 10.161 -4.651 13.546 1.00 0.29 H new ATOM 0 HD21 LEU A 30 7.210 -5.395 12.968 1.00 0.33 H new ATOM 0 HD22 LEU A 30 7.766 -3.840 13.632 1.00 0.33 H new ATOM 0 HD23 LEU A 30 6.774 -3.873 12.154 1.00 0.33 H new ATOM 512 N THR A 31 9.588 -0.849 9.301 1.00 0.19 N ATOM 513 CA THR A 31 10.108 0.485 8.891 1.00 0.17 C ATOM 514 C THR A 31 8.949 1.353 8.390 1.00 0.17 C ATOM 515 O THR A 31 8.878 2.533 8.672 1.00 0.17 O ATOM 516 CB THR A 31 11.156 0.309 7.783 1.00 0.17 C ATOM 517 OG1 THR A 31 10.564 -0.363 6.680 1.00 0.18 O ATOM 518 CG2 THR A 31 12.351 -0.517 8.295 1.00 0.19 C ATOM 0 H THR A 31 9.921 -1.636 8.744 1.00 0.19 H new ATOM 0 HA THR A 31 10.575 0.975 9.745 1.00 0.17 H new ATOM 0 HB THR A 31 11.512 1.293 7.477 1.00 0.17 H new ATOM 0 HG1 THR A 31 9.778 -0.862 6.985 1.00 0.18 H new ATOM 0 HG21 THR A 31 13.083 -0.631 7.496 1.00 0.19 H new ATOM 0 HG22 THR A 31 12.812 -0.005 9.139 1.00 0.19 H new ATOM 0 HG23 THR A 31 12.004 -1.500 8.613 1.00 0.19 H new ATOM 526 N VAL A 32 8.034 0.776 7.658 1.00 0.18 N ATOM 527 CA VAL A 32 6.874 1.564 7.152 1.00 0.19 C ATOM 528 C VAL A 32 6.069 2.109 8.335 1.00 0.20 C ATOM 529 O VAL A 32 5.606 3.232 8.320 1.00 0.20 O ATOM 530 CB VAL A 32 5.988 0.652 6.286 1.00 0.21 C ATOM 531 CG1 VAL A 32 4.654 1.365 5.957 1.00 0.23 C ATOM 532 CG2 VAL A 32 6.752 0.268 4.992 1.00 0.22 C ATOM 0 H VAL A 32 8.040 -0.208 7.389 1.00 0.18 H new ATOM 0 HA VAL A 32 7.228 2.402 6.551 1.00 0.19 H new ATOM 0 HB VAL A 32 5.754 -0.261 6.834 1.00 0.21 H new ATOM 0 HG11 VAL A 32 4.034 0.711 5.344 1.00 0.23 H new ATOM 0 HG12 VAL A 32 4.129 1.600 6.883 1.00 0.23 H new ATOM 0 HG13 VAL A 32 4.859 2.287 5.412 1.00 0.23 H new ATOM 0 HG21 VAL A 32 6.125 -0.378 4.378 1.00 0.22 H new ATOM 0 HG22 VAL A 32 6.999 1.171 4.434 1.00 0.22 H new ATOM 0 HG23 VAL A 32 7.669 -0.259 5.254 1.00 0.22 H new ATOM 542 N TRP A 33 5.901 1.320 9.360 1.00 0.21 N ATOM 543 CA TRP A 33 5.129 1.782 10.547 1.00 0.23 C ATOM 544 C TRP A 33 5.789 3.019 11.162 1.00 0.22 C ATOM 545 O TRP A 33 5.122 3.968 11.524 1.00 0.23 O ATOM 546 CB TRP A 33 5.080 0.658 11.584 1.00 0.25 C ATOM 547 CG TRP A 33 4.327 1.120 12.789 1.00 0.27 C ATOM 548 CD1 TRP A 33 2.980 1.211 12.879 1.00 0.32 C ATOM 549 CD2 TRP A 33 4.854 1.545 14.079 1.00 0.27 C ATOM 550 NE1 TRP A 33 2.644 1.672 14.139 1.00 0.33 N ATOM 551 CE2 TRP A 33 3.762 1.893 14.918 1.00 0.31 C ATOM 552 CE3 TRP A 33 6.161 1.665 14.599 1.00 0.26 C ATOM 553 CZ2 TRP A 33 3.962 2.344 16.230 1.00 0.32 C ATOM 554 CZ3 TRP A 33 6.366 2.118 15.917 1.00 0.28 C ATOM 555 CH2 TRP A 33 5.269 2.457 16.730 1.00 0.31 C ATOM 0 H TRP A 33 6.267 0.370 9.426 1.00 0.21 H new ATOM 0 HA TRP A 33 4.118 2.043 10.236 1.00 0.23 H new ATOM 0 HB2 TRP A 33 4.599 -0.223 11.158 1.00 0.25 H new ATOM 0 HB3 TRP A 33 6.091 0.365 11.865 1.00 0.25 H new ATOM 0 HD1 TRP A 33 2.281 0.964 12.094 1.00 0.32 H new ATOM 0 HE1 TRP A 33 1.687 1.829 14.454 1.00 0.33 H new ATOM 0 HE3 TRP A 33 7.009 1.408 13.982 1.00 0.26 H new ATOM 0 HZ2 TRP A 33 3.117 2.603 16.851 1.00 0.32 H new ATOM 0 HZ3 TRP A 33 7.370 2.205 16.305 1.00 0.28 H new ATOM 0 HH2 TRP A 33 5.432 2.804 17.739 1.00 0.31 H new ATOM 566 N GLY A 34 7.089 3.020 11.297 1.00 0.22 N ATOM 567 CA GLY A 34 7.765 4.200 11.904 1.00 0.23 C ATOM 568 C GLY A 34 7.486 5.455 11.073 1.00 0.22 C ATOM 569 O GLY A 34 7.174 6.502 11.604 1.00 0.23 O ATOM 0 H GLY A 34 7.707 2.259 11.015 1.00 0.22 H new ATOM 0 HA2 GLY A 34 7.412 4.345 12.925 1.00 0.23 H new ATOM 0 HA3 GLY A 34 8.839 4.024 11.960 1.00 0.23 H new ATOM 573 N THR A 35 7.602 5.366 9.776 1.00 0.22 N ATOM 574 CA THR A 35 7.351 6.563 8.922 1.00 0.24 C ATOM 575 C THR A 35 5.906 7.040 9.112 1.00 0.23 C ATOM 576 O THR A 35 5.650 8.205 9.349 1.00 0.24 O ATOM 577 CB THR A 35 7.576 6.173 7.453 1.00 0.27 C ATOM 578 OG1 THR A 35 8.894 5.662 7.311 1.00 0.30 O ATOM 579 CG2 THR A 35 7.411 7.386 6.521 1.00 0.30 C ATOM 0 H THR A 35 7.859 4.518 9.271 1.00 0.22 H new ATOM 0 HA THR A 35 8.029 7.369 9.203 1.00 0.24 H new ATOM 0 HB THR A 35 6.835 5.423 7.178 1.00 0.27 H new ATOM 0 HG1 THR A 35 9.048 5.408 6.377 1.00 0.30 H new ATOM 0 HG21 THR A 35 7.576 7.077 5.489 1.00 0.30 H new ATOM 0 HG22 THR A 35 6.403 7.788 6.622 1.00 0.30 H new ATOM 0 HG23 THR A 35 8.137 8.153 6.791 1.00 0.30 H new ATOM 587 N LYS A 36 4.962 6.145 9.008 1.00 0.25 N ATOM 588 CA LYS A 36 3.532 6.535 9.175 1.00 0.28 C ATOM 589 C LYS A 36 3.310 7.090 10.580 1.00 0.28 C ATOM 590 O LYS A 36 2.579 8.040 10.777 1.00 0.30 O ATOM 591 CB LYS A 36 2.655 5.297 8.999 1.00 0.32 C ATOM 592 CG LYS A 36 2.709 4.834 7.540 1.00 0.46 C ATOM 593 CD LYS A 36 1.996 3.470 7.380 1.00 0.77 C ATOM 594 CE LYS A 36 0.512 3.625 6.981 1.00 1.44 C ATOM 595 NZ LYS A 36 0.306 2.961 5.662 1.00 2.00 N ATOM 0 H LYS A 36 5.120 5.156 8.814 1.00 0.25 H new ATOM 0 HA LYS A 36 3.276 7.293 8.434 1.00 0.28 H new ATOM 0 HB2 LYS A 36 2.998 4.499 9.658 1.00 0.32 H new ATOM 0 HB3 LYS A 36 1.627 5.524 9.282 1.00 0.32 H new ATOM 0 HG2 LYS A 36 2.235 5.577 6.898 1.00 0.46 H new ATOM 0 HG3 LYS A 36 3.747 4.749 7.217 1.00 0.46 H new ATOM 0 HD2 LYS A 36 2.513 2.879 6.624 1.00 0.77 H new ATOM 0 HD3 LYS A 36 2.062 2.917 8.317 1.00 0.77 H new ATOM 0 HE2 LYS A 36 -0.132 3.175 7.736 1.00 1.44 H new ATOM 0 HE3 LYS A 36 0.244 4.680 6.920 1.00 1.44 H new ATOM 0 HZ1 LYS A 36 -0.690 3.056 5.377 1.00 2.00 H new ATOM 0 HZ2 LYS A 36 0.914 3.410 4.948 1.00 2.00 H new ATOM 0 HZ3 LYS A 36 0.549 1.953 5.739 1.00 2.00 H new ATOM 609 N ASN A 37 3.925 6.491 11.560 1.00 0.27 N ATOM 610 CA ASN A 37 3.733 6.966 12.955 1.00 0.30 C ATOM 611 C ASN A 37 4.194 8.419 13.051 1.00 0.29 C ATOM 612 O ASN A 37 3.569 9.235 13.698 1.00 0.32 O ATOM 613 CB ASN A 37 4.561 6.098 13.906 1.00 0.32 C ATOM 614 CG ASN A 37 4.361 6.583 15.342 1.00 0.37 C ATOM 615 OD1 ASN A 37 4.914 5.923 16.323 1.00 0.74 O flip ATOM 616 ND2 ASN A 37 3.692 7.569 15.575 1.00 0.47 N flip ATOM 0 H ASN A 37 4.552 5.693 11.454 1.00 0.27 H new ATOM 0 HA ASN A 37 2.681 6.896 13.231 1.00 0.30 H new ATOM 0 HB2 ASN A 37 4.260 5.054 13.818 1.00 0.32 H new ATOM 0 HB3 ASN A 37 5.616 6.149 13.637 1.00 0.32 H new ATOM 0 HD21 ASN A 37 3.260 8.085 14.809 1.00 0.47 H new ATOM 0 HD22 ASN A 37 3.562 7.882 16.537 1.00 0.47 H new ATOM 623 N LEU A 38 5.274 8.755 12.403 1.00 0.26 N ATOM 624 CA LEU A 38 5.752 10.163 12.454 1.00 0.27 C ATOM 625 C LEU A 38 4.672 11.077 11.872 1.00 0.26 C ATOM 626 O LEU A 38 4.422 12.155 12.372 1.00 0.28 O ATOM 627 CB LEU A 38 7.033 10.304 11.629 1.00 0.26 C ATOM 628 CG LEU A 38 8.202 9.584 12.320 1.00 0.30 C ATOM 629 CD1 LEU A 38 9.414 9.578 11.369 1.00 0.33 C ATOM 630 CD2 LEU A 38 8.552 10.288 13.648 1.00 0.35 C ATOM 0 H LEU A 38 5.843 8.120 11.844 1.00 0.26 H new ATOM 0 HA LEU A 38 5.958 10.441 13.488 1.00 0.27 H new ATOM 0 HB2 LEU A 38 6.879 9.887 10.634 1.00 0.26 H new ATOM 0 HB3 LEU A 38 7.274 11.359 11.499 1.00 0.26 H new ATOM 0 HG LEU A 38 7.920 8.557 12.550 1.00 0.30 H new ATOM 0 HD11 LEU A 38 10.250 9.069 11.849 1.00 0.33 H new ATOM 0 HD12 LEU A 38 9.152 9.056 10.449 1.00 0.33 H new ATOM 0 HD13 LEU A 38 9.699 10.604 11.136 1.00 0.33 H new ATOM 0 HD21 LEU A 38 9.381 9.768 14.128 1.00 0.35 H new ATOM 0 HD22 LEU A 38 8.838 11.321 13.448 1.00 0.35 H new ATOM 0 HD23 LEU A 38 7.684 10.273 14.308 1.00 0.35 H new ATOM 642 N GLN A 39 4.031 10.655 10.815 1.00 0.25 N ATOM 643 CA GLN A 39 2.969 11.502 10.200 1.00 0.29 C ATOM 644 C GLN A 39 1.861 11.766 11.221 1.00 0.33 C ATOM 645 O GLN A 39 1.343 12.861 11.316 1.00 0.35 O ATOM 646 CB GLN A 39 2.380 10.776 8.991 1.00 0.32 C ATOM 647 CG GLN A 39 1.337 11.662 8.307 1.00 0.40 C ATOM 648 CD GLN A 39 0.820 10.955 7.052 1.00 0.45 C ATOM 649 OE1 GLN A 39 1.233 9.853 6.749 1.00 0.85 O ATOM 650 NE2 GLN A 39 -0.069 11.547 6.302 1.00 0.97 N ATOM 0 H GLN A 39 4.197 9.762 10.352 1.00 0.25 H new ATOM 0 HA GLN A 39 3.402 12.451 9.885 1.00 0.29 H new ATOM 0 HB2 GLN A 39 3.172 10.523 8.287 1.00 0.32 H new ATOM 0 HB3 GLN A 39 1.922 9.838 9.307 1.00 0.32 H new ATOM 0 HG2 GLN A 39 0.512 11.866 8.990 1.00 0.40 H new ATOM 0 HG3 GLN A 39 1.777 12.623 8.042 1.00 0.40 H new ATOM 0 HE21 GLN A 39 -0.416 12.472 6.556 1.00 0.97 H new ATOM 0 HE22 GLN A 39 -0.417 11.085 5.462 1.00 0.97 H new ATOM 659 N THR A 40 1.492 10.776 11.988 1.00 0.36 N ATOM 660 CA THR A 40 0.420 10.993 12.998 1.00 0.42 C ATOM 661 C THR A 40 0.872 12.087 13.964 1.00 0.41 C ATOM 662 O THR A 40 0.108 12.955 14.340 1.00 0.43 O ATOM 663 CB THR A 40 0.170 9.695 13.773 1.00 0.47 C ATOM 664 OG1 THR A 40 1.326 9.377 14.534 1.00 0.46 O ATOM 665 CG2 THR A 40 -0.134 8.550 12.801 1.00 0.49 C ATOM 0 H THR A 40 1.883 9.834 11.959 1.00 0.36 H new ATOM 0 HA THR A 40 -0.503 11.292 12.501 1.00 0.42 H new ATOM 0 HB THR A 40 -0.684 9.831 14.436 1.00 0.47 H new ATOM 0 HG1 THR A 40 2.114 9.386 13.951 1.00 0.46 H new ATOM 0 HG21 THR A 40 -0.310 7.633 13.363 1.00 0.49 H new ATOM 0 HG22 THR A 40 -1.022 8.794 12.218 1.00 0.49 H new ATOM 0 HG23 THR A 40 0.713 8.408 12.130 1.00 0.49 H new ATOM 673 N ARG A 41 2.117 12.062 14.352 1.00 0.39 N ATOM 674 CA ARG A 41 2.631 13.110 15.275 1.00 0.39 C ATOM 675 C ARG A 41 2.576 14.448 14.561 1.00 0.36 C ATOM 676 O ARG A 41 2.244 15.467 15.134 1.00 0.37 O ATOM 677 CB ARG A 41 4.082 12.816 15.638 1.00 0.43 C ATOM 678 CG ARG A 41 4.118 11.586 16.529 1.00 0.55 C ATOM 679 CD ARG A 41 5.557 11.271 16.939 1.00 0.66 C ATOM 680 NE ARG A 41 5.614 9.837 17.340 1.00 0.89 N ATOM 681 CZ ARG A 41 4.727 9.354 18.164 1.00 1.04 C ATOM 682 NH1 ARG A 41 4.074 10.148 18.968 1.00 1.22 N ATOM 683 NH2 ARG A 41 4.538 8.070 18.229 1.00 1.32 N ATOM 0 H ARG A 41 2.801 11.360 14.069 1.00 0.39 H new ATOM 0 HA ARG A 41 2.025 13.126 16.181 1.00 0.39 H new ATOM 0 HB2 ARG A 41 4.671 12.648 14.736 1.00 0.43 H new ATOM 0 HB3 ARG A 41 4.524 13.669 16.153 1.00 0.43 H new ATOM 0 HG2 ARG A 41 3.508 11.753 17.417 1.00 0.55 H new ATOM 0 HG3 ARG A 41 3.688 10.734 16.002 1.00 0.55 H new ATOM 0 HD2 ARG A 41 6.240 11.464 16.112 1.00 0.66 H new ATOM 0 HD3 ARG A 41 5.868 11.911 17.765 1.00 0.66 H new ATOM 0 HE ARG A 41 6.348 9.233 16.969 1.00 0.89 H new ATOM 0 HH11 ARG A 41 4.257 11.151 18.953 1.00 1.22 H new ATOM 0 HH12 ARG A 41 3.381 9.765 19.611 1.00 1.22 H new ATOM 0 HH21 ARG A 41 5.083 7.444 17.636 1.00 1.32 H new ATOM 0 HH22 ARG A 41 3.845 7.688 18.873 1.00 1.32 H new ATOM 697 N VAL A 42 2.913 14.448 13.306 1.00 0.33 N ATOM 698 CA VAL A 42 2.895 15.715 12.544 1.00 0.35 C ATOM 699 C VAL A 42 1.477 16.280 12.563 1.00 0.38 C ATOM 700 O VAL A 42 1.291 17.454 12.784 1.00 0.40 O ATOM 701 CB VAL A 42 3.348 15.456 11.104 1.00 0.37 C ATOM 702 CG1 VAL A 42 3.098 16.702 10.244 1.00 0.43 C ATOM 703 CG2 VAL A 42 4.843 15.124 11.104 1.00 0.38 C ATOM 0 H VAL A 42 3.200 13.624 12.777 1.00 0.33 H new ATOM 0 HA VAL A 42 3.577 16.435 12.997 1.00 0.35 H new ATOM 0 HB VAL A 42 2.783 14.621 10.689 1.00 0.37 H new ATOM 0 HG11 VAL A 42 3.423 16.510 9.221 1.00 0.43 H new ATOM 0 HG12 VAL A 42 2.034 16.939 10.248 1.00 0.43 H new ATOM 0 HG13 VAL A 42 3.659 17.543 10.651 1.00 0.43 H new ATOM 0 HG21 VAL A 42 5.174 14.938 10.082 1.00 0.38 H new ATOM 0 HG22 VAL A 42 5.402 15.962 11.520 1.00 0.38 H new ATOM 0 HG23 VAL A 42 5.018 14.235 11.710 1.00 0.38 H new ATOM 713 N THR A 43 0.477 15.459 12.358 1.00 0.39 N ATOM 714 CA THR A 43 -0.921 15.986 12.374 1.00 0.45 C ATOM 715 C THR A 43 -1.201 16.656 13.723 1.00 0.44 C ATOM 716 O THR A 43 -1.799 17.715 13.791 1.00 0.47 O ATOM 717 CB THR A 43 -1.910 14.833 12.164 1.00 0.50 C ATOM 718 OG1 THR A 43 -1.776 13.898 13.226 1.00 0.50 O ATOM 719 CG2 THR A 43 -1.636 14.130 10.825 1.00 0.51 C ATOM 0 H THR A 43 0.566 14.458 12.182 1.00 0.39 H new ATOM 0 HA THR A 43 -1.039 16.716 11.573 1.00 0.45 H new ATOM 0 HB THR A 43 -2.923 15.234 12.150 1.00 0.50 H new ATOM 0 HG1 THR A 43 -0.835 13.642 13.319 1.00 0.50 H new ATOM 0 HG21 THR A 43 -2.346 13.314 10.690 1.00 0.51 H new ATOM 0 HG22 THR A 43 -1.746 14.845 10.010 1.00 0.51 H new ATOM 0 HG23 THR A 43 -0.621 13.732 10.824 1.00 0.51 H new ATOM 727 N ALA A 44 -0.760 16.063 14.797 1.00 0.42 N ATOM 728 CA ALA A 44 -0.993 16.684 16.129 1.00 0.43 C ATOM 729 C ALA A 44 -0.262 18.026 16.183 1.00 0.39 C ATOM 730 O ALA A 44 -0.761 18.999 16.715 1.00 0.39 O ATOM 731 CB ALA A 44 -0.467 15.755 17.230 1.00 0.45 C ATOM 0 H ALA A 44 -0.251 15.179 14.810 1.00 0.42 H new ATOM 0 HA ALA A 44 -2.060 16.843 16.284 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -0.639 16.212 18.205 1.00 0.45 H new ATOM 0 HB2 ALA A 44 -0.989 14.800 17.180 1.00 0.45 H new ATOM 0 HB3 ALA A 44 0.601 15.592 17.089 1.00 0.45 H new ATOM 737 N ILE A 45 0.922 18.082 15.639 1.00 0.35 N ATOM 738 CA ILE A 45 1.693 19.355 15.661 1.00 0.32 C ATOM 739 C ILE A 45 0.972 20.434 14.835 1.00 0.32 C ATOM 740 O ILE A 45 0.940 21.585 15.222 1.00 0.31 O ATOM 741 CB ILE A 45 3.107 19.123 15.115 1.00 0.31 C ATOM 742 CG1 ILE A 45 3.899 18.252 16.103 1.00 0.32 C ATOM 743 CG2 ILE A 45 3.807 20.475 14.953 1.00 0.30 C ATOM 744 CD1 ILE A 45 5.187 17.697 15.450 1.00 0.33 C ATOM 0 H ILE A 45 1.389 17.300 15.180 1.00 0.35 H new ATOM 0 HA ILE A 45 1.766 19.701 16.692 1.00 0.32 H new ATOM 0 HB ILE A 45 3.053 18.618 14.151 1.00 0.31 H new ATOM 0 HG12 ILE A 45 4.159 18.840 16.983 1.00 0.32 H new ATOM 0 HG13 ILE A 45 3.276 17.425 16.444 1.00 0.32 H new ATOM 0 HG21 ILE A 45 4.814 20.319 14.565 1.00 0.30 H new ATOM 0 HG22 ILE A 45 3.242 21.096 14.258 1.00 0.30 H new ATOM 0 HG23 ILE A 45 3.864 20.973 15.921 1.00 0.30 H new ATOM 0 HD11 ILE A 45 5.727 17.085 16.173 1.00 0.33 H new ATOM 0 HD12 ILE A 45 4.923 17.089 14.585 1.00 0.33 H new ATOM 0 HD13 ILE A 45 5.820 18.526 15.132 1.00 0.33 H new ATOM 756 N GLU A 46 0.403 20.097 13.701 1.00 0.35 N ATOM 757 CA GLU A 46 -0.286 21.154 12.895 1.00 0.37 C ATOM 758 C GLU A 46 -1.341 21.806 13.773 1.00 0.38 C ATOM 759 O GLU A 46 -1.554 23.002 13.752 1.00 0.38 O ATOM 760 CB GLU A 46 -1.043 20.559 11.700 1.00 0.44 C ATOM 761 CG GLU A 46 -0.173 19.588 10.916 1.00 1.20 C ATOM 762 CD GLU A 46 -0.953 19.116 9.688 1.00 1.67 C ATOM 763 OE1 GLU A 46 -1.916 18.388 9.869 1.00 2.26 O ATOM 764 OE2 GLU A 46 -0.578 19.490 8.591 1.00 2.17 O ATOM 0 H GLU A 46 0.385 19.157 13.306 1.00 0.35 H new ATOM 0 HA GLU A 46 0.475 21.850 12.542 1.00 0.37 H new ATOM 0 HB2 GLU A 46 -1.936 20.044 12.054 1.00 0.44 H new ATOM 0 HB3 GLU A 46 -1.377 21.362 11.043 1.00 0.44 H new ATOM 0 HG2 GLU A 46 0.755 20.072 10.612 1.00 1.20 H new ATOM 0 HG3 GLU A 46 0.101 18.737 11.540 1.00 1.20 H new ATOM 771 N LYS A 47 -2.026 20.994 14.517 1.00 0.41 N ATOM 772 CA LYS A 47 -3.114 21.507 15.382 1.00 0.44 C ATOM 773 C LYS A 47 -2.550 22.536 16.359 1.00 0.41 C ATOM 774 O LYS A 47 -3.069 23.626 16.499 1.00 0.42 O ATOM 775 CB LYS A 47 -3.708 20.309 16.139 1.00 0.48 C ATOM 776 CG LYS A 47 -5.207 20.202 15.874 1.00 1.21 C ATOM 777 CD LYS A 47 -5.733 18.929 16.543 1.00 1.55 C ATOM 778 CE LYS A 47 -7.260 18.971 16.672 1.00 2.31 C ATOM 779 NZ LYS A 47 -7.653 18.167 17.859 1.00 2.88 N ATOM 0 H LYS A 47 -1.877 19.986 14.563 1.00 0.41 H new ATOM 0 HA LYS A 47 -3.888 21.995 14.790 1.00 0.44 H new ATOM 0 HB2 LYS A 47 -3.211 19.391 15.827 1.00 0.48 H new ATOM 0 HB3 LYS A 47 -3.528 20.421 17.208 1.00 0.48 H new ATOM 0 HG2 LYS A 47 -5.724 21.077 16.268 1.00 1.21 H new ATOM 0 HG3 LYS A 47 -5.400 20.173 14.802 1.00 1.21 H new ATOM 0 HD2 LYS A 47 -5.437 18.057 15.959 1.00 1.55 H new ATOM 0 HD3 LYS A 47 -5.283 18.819 17.530 1.00 1.55 H new ATOM 0 HE2 LYS A 47 -7.603 20.000 16.780 1.00 2.31 H new ATOM 0 HE3 LYS A 47 -7.728 18.572 15.772 1.00 2.31 H new ATOM 0 HZ1 LYS A 47 -8.688 18.184 17.963 1.00 2.88 H new ATOM 0 HZ2 LYS A 47 -7.334 17.185 17.734 1.00 2.88 H new ATOM 0 HZ3 LYS A 47 -7.213 18.569 18.711 1.00 2.88 H new ATOM 793 N TYR A 48 -1.494 22.202 17.033 1.00 0.38 N ATOM 794 CA TYR A 48 -0.911 23.169 17.991 1.00 0.36 C ATOM 795 C TYR A 48 -0.431 24.404 17.221 1.00 0.33 C ATOM 796 O TYR A 48 -0.568 25.522 17.679 1.00 0.33 O ATOM 797 CB TYR A 48 0.242 22.505 18.733 1.00 0.37 C ATOM 798 CG TYR A 48 -0.308 21.482 19.703 1.00 0.41 C ATOM 799 CD1 TYR A 48 -0.996 21.911 20.852 1.00 0.45 C ATOM 800 CD2 TYR A 48 -0.111 20.107 19.477 1.00 0.41 C ATOM 801 CE1 TYR A 48 -1.490 20.969 21.771 1.00 0.51 C ATOM 802 CE2 TYR A 48 -0.602 19.165 20.399 1.00 0.46 C ATOM 803 CZ TYR A 48 -1.292 19.596 21.546 1.00 0.51 C ATOM 804 OH TYR A 48 -1.769 18.671 22.453 1.00 0.57 O ATOM 0 H TYR A 48 -1.011 21.306 16.963 1.00 0.38 H new ATOM 0 HA TYR A 48 -1.657 23.481 18.722 1.00 0.36 H new ATOM 0 HB2 TYR A 48 0.917 22.025 18.024 1.00 0.37 H new ATOM 0 HB3 TYR A 48 0.824 23.255 19.269 1.00 0.37 H new ATOM 0 HD1 TYR A 48 -1.145 22.966 21.029 1.00 0.45 H new ATOM 0 HD2 TYR A 48 0.417 19.775 18.595 1.00 0.41 H new ATOM 0 HE1 TYR A 48 -2.022 21.301 22.650 1.00 0.51 H new ATOM 0 HE2 TYR A 48 -0.449 18.110 20.226 1.00 0.46 H new ATOM 0 HH TYR A 48 -2.280 17.982 21.979 1.00 0.57 H new ATOM 814 N LEU A 49 0.092 24.218 16.037 1.00 0.31 N ATOM 815 CA LEU A 49 0.536 25.389 15.225 1.00 0.29 C ATOM 816 C LEU A 49 -0.672 26.289 14.976 1.00 0.32 C ATOM 817 O LEU A 49 -0.592 27.506 15.002 1.00 0.32 O ATOM 818 CB LEU A 49 1.123 24.912 13.892 1.00 0.29 C ATOM 819 CG LEU A 49 2.526 24.297 14.084 1.00 0.25 C ATOM 820 CD1 LEU A 49 3.021 23.707 12.749 1.00 0.28 C ATOM 821 CD2 LEU A 49 3.540 25.359 14.550 1.00 0.25 C ATOM 0 H LEU A 49 0.231 23.308 15.598 1.00 0.31 H new ATOM 0 HA LEU A 49 1.308 25.943 15.760 1.00 0.29 H new ATOM 0 HB2 LEU A 49 0.458 24.174 13.443 1.00 0.29 H new ATOM 0 HB3 LEU A 49 1.183 25.750 13.198 1.00 0.29 H new ATOM 0 HG LEU A 49 2.448 23.519 14.843 1.00 0.25 H new ATOM 0 HD11 LEU A 49 4.012 23.274 12.888 1.00 0.28 H new ATOM 0 HD12 LEU A 49 2.330 22.933 12.415 1.00 0.28 H new ATOM 0 HD13 LEU A 49 3.072 24.496 11.999 1.00 0.28 H new ATOM 0 HD21 LEU A 49 4.519 24.897 14.677 1.00 0.25 H new ATOM 0 HD22 LEU A 49 3.607 26.151 13.804 1.00 0.25 H new ATOM 0 HD23 LEU A 49 3.213 25.782 15.500 1.00 0.25 H new ATOM 833 N LYS A 50 -1.799 25.696 14.746 1.00 0.35 N ATOM 834 CA LYS A 50 -3.020 26.502 14.510 1.00 0.39 C ATOM 835 C LYS A 50 -3.359 27.289 15.784 1.00 0.39 C ATOM 836 O LYS A 50 -3.762 28.440 15.743 1.00 0.41 O ATOM 837 CB LYS A 50 -4.160 25.550 14.159 1.00 0.44 C ATOM 838 CG LYS A 50 -5.315 26.346 13.563 1.00 1.03 C ATOM 839 CD LYS A 50 -6.374 25.384 13.013 1.00 1.21 C ATOM 840 CE LYS A 50 -7.376 26.136 12.112 1.00 1.58 C ATOM 841 NZ LYS A 50 -8.718 26.108 12.754 1.00 2.18 N ATOM 0 H LYS A 50 -1.930 24.685 14.711 1.00 0.35 H new ATOM 0 HA LYS A 50 -2.865 27.207 13.693 1.00 0.39 H new ATOM 0 HB2 LYS A 50 -3.816 24.799 13.448 1.00 0.44 H new ATOM 0 HB3 LYS A 50 -4.492 25.017 15.050 1.00 0.44 H new ATOM 0 HG2 LYS A 50 -5.755 26.991 14.323 1.00 1.03 H new ATOM 0 HG3 LYS A 50 -4.950 26.995 12.767 1.00 1.03 H new ATOM 0 HD2 LYS A 50 -5.891 24.589 12.444 1.00 1.21 H new ATOM 0 HD3 LYS A 50 -6.904 24.908 13.838 1.00 1.21 H new ATOM 0 HE2 LYS A 50 -7.050 27.166 11.964 1.00 1.58 H new ATOM 0 HE3 LYS A 50 -7.420 25.671 11.127 1.00 1.58 H new ATOM 0 HZ1 LYS A 50 -9.401 26.613 12.153 1.00 2.18 H new ATOM 0 HZ2 LYS A 50 -9.025 25.122 12.874 1.00 2.18 H new ATOM 0 HZ3 LYS A 50 -8.667 26.570 13.684 1.00 2.18 H new ATOM 855 N ASP A 51 -3.199 26.664 16.918 1.00 0.38 N ATOM 856 CA ASP A 51 -3.513 27.339 18.209 1.00 0.40 C ATOM 857 C ASP A 51 -2.670 28.619 18.334 1.00 0.38 C ATOM 858 O ASP A 51 -3.124 29.622 18.835 1.00 0.40 O ATOM 859 CB ASP A 51 -3.197 26.362 19.363 1.00 0.42 C ATOM 860 CG ASP A 51 -4.334 26.308 20.396 1.00 1.29 C ATOM 861 OD1 ASP A 51 -5.228 27.136 20.330 1.00 2.07 O ATOM 862 OD2 ASP A 51 -4.287 25.431 21.243 1.00 1.96 O ATOM 0 H ASP A 51 -2.861 25.706 17.006 1.00 0.38 H new ATOM 0 HA ASP A 51 -4.566 27.616 18.250 1.00 0.40 H new ATOM 0 HB2 ASP A 51 -3.027 25.364 18.958 1.00 0.42 H new ATOM 0 HB3 ASP A 51 -2.274 26.668 19.855 1.00 0.42 H new ATOM 867 N GLN A 52 -1.448 28.597 17.880 1.00 0.36 N ATOM 868 CA GLN A 52 -0.594 29.822 17.975 1.00 0.38 C ATOM 869 C GLN A 52 -1.253 30.953 17.221 1.00 0.38 C ATOM 870 O GLN A 52 -1.431 32.039 17.732 1.00 0.40 O ATOM 871 CB GLN A 52 0.732 29.566 17.258 1.00 0.42 C ATOM 872 CG GLN A 52 1.751 28.893 18.191 1.00 1.31 C ATOM 873 CD GLN A 52 2.314 27.667 17.486 1.00 2.37 C ATOM 874 OE1 GLN A 52 3.149 27.781 16.618 1.00 3.28 O ATOM 875 NE2 GLN A 52 1.821 26.504 17.770 1.00 2.59 N ATOM 0 H GLN A 52 -1.001 27.788 17.448 1.00 0.36 H new ATOM 0 HA GLN A 52 -0.451 30.064 19.028 1.00 0.38 H new ATOM 0 HB2 GLN A 52 0.561 28.934 16.387 1.00 0.42 H new ATOM 0 HB3 GLN A 52 1.138 30.509 16.892 1.00 0.42 H new ATOM 0 HG2 GLN A 52 2.553 29.588 18.441 1.00 1.31 H new ATOM 0 HG3 GLN A 52 1.275 28.606 19.128 1.00 1.31 H new ATOM 0 HE21 GLN A 52 1.117 26.414 18.503 1.00 2.59 H new ATOM 0 HE22 GLN A 52 2.136 25.678 17.261 1.00 2.59 H new ATOM 884 N ALA A 53 -1.578 30.701 15.985 1.00 0.39 N ATOM 885 CA ALA A 53 -2.198 31.760 15.157 1.00 0.45 C ATOM 886 C ALA A 53 -3.263 32.454 15.998 1.00 0.47 C ATOM 887 O ALA A 53 -3.423 33.657 15.954 1.00 0.53 O ATOM 888 CB ALA A 53 -2.806 31.115 13.916 1.00 0.49 C ATOM 0 H ALA A 53 -1.439 29.806 15.516 1.00 0.39 H new ATOM 0 HA ALA A 53 -1.464 32.499 14.835 1.00 0.45 H new ATOM 0 HB1 ALA A 53 -3.267 31.883 13.295 1.00 0.49 H new ATOM 0 HB2 ALA A 53 -2.024 30.611 13.348 1.00 0.49 H new ATOM 0 HB3 ALA A 53 -3.562 30.389 14.216 1.00 0.49 H new ATOM 894 N GLN A 54 -3.970 31.699 16.793 1.00 0.45 N ATOM 895 CA GLN A 54 -4.998 32.321 17.670 1.00 0.50 C ATOM 896 C GLN A 54 -4.299 33.289 18.632 1.00 0.55 C ATOM 897 O GLN A 54 -4.787 34.369 18.901 1.00 0.62 O ATOM 898 CB GLN A 54 -5.723 31.236 18.464 1.00 0.51 C ATOM 899 CG GLN A 54 -6.849 31.860 19.285 1.00 0.58 C ATOM 900 CD GLN A 54 -7.610 30.747 20.003 1.00 0.62 C ATOM 901 OE1 GLN A 54 -7.391 29.581 19.739 1.00 0.97 O ATOM 902 NE2 GLN A 54 -8.507 31.055 20.897 1.00 1.03 N ATOM 0 H GLN A 54 -3.881 30.686 16.872 1.00 0.45 H new ATOM 0 HA GLN A 54 -5.727 32.860 17.065 1.00 0.50 H new ATOM 0 HB2 GLN A 54 -6.128 30.486 17.785 1.00 0.51 H new ATOM 0 HB3 GLN A 54 -5.021 30.724 19.122 1.00 0.51 H new ATOM 0 HG2 GLN A 54 -6.442 32.566 20.009 1.00 0.58 H new ATOM 0 HG3 GLN A 54 -7.523 32.420 18.637 1.00 0.58 H new ATOM 0 HE21 GLN A 54 -8.691 32.033 21.119 1.00 1.03 H new ATOM 0 HE22 GLN A 54 -9.025 30.318 21.375 1.00 1.03 H new ATOM 911 N LEU A 55 -3.151 32.918 19.142 1.00 0.54 N ATOM 912 CA LEU A 55 -2.420 33.828 20.071 1.00 0.62 C ATOM 913 C LEU A 55 -1.845 34.984 19.255 1.00 0.66 C ATOM 914 O LEU A 55 -0.997 34.794 18.406 1.00 0.60 O ATOM 915 CB LEU A 55 -1.269 33.078 20.754 1.00 0.60 C ATOM 916 CG LEU A 55 -1.793 31.832 21.475 1.00 0.63 C ATOM 917 CD1 LEU A 55 -0.615 31.108 22.137 1.00 0.65 C ATOM 918 CD2 LEU A 55 -2.816 32.235 22.546 1.00 0.78 C ATOM 0 H LEU A 55 -2.691 32.027 18.955 1.00 0.54 H new ATOM 0 HA LEU A 55 -3.104 34.195 20.836 1.00 0.62 H new ATOM 0 HB2 LEU A 55 -0.524 32.790 20.012 1.00 0.60 H new ATOM 0 HB3 LEU A 55 -0.771 33.735 21.467 1.00 0.60 H new ATOM 0 HG LEU A 55 -2.278 31.173 20.755 1.00 0.63 H new ATOM 0 HD11 LEU A 55 -0.978 30.219 22.653 1.00 0.65 H new ATOM 0 HD12 LEU A 55 0.107 30.816 21.375 1.00 0.65 H new ATOM 0 HD13 LEU A 55 -0.136 31.774 22.855 1.00 0.65 H new ATOM 0 HD21 LEU A 55 -3.183 31.342 23.053 1.00 0.78 H new ATOM 0 HD22 LEU A 55 -2.342 32.896 23.272 1.00 0.78 H new ATOM 0 HD23 LEU A 55 -3.651 32.753 22.075 1.00 0.78 H new ATOM 930 N ASN A 56 -2.310 36.179 19.501 1.00 0.78 N ATOM 931 CA ASN A 56 -1.812 37.362 18.740 1.00 0.86 C ATOM 932 C ASN A 56 -1.496 38.496 19.709 1.00 0.97 C ATOM 933 O ASN A 56 -0.362 38.905 19.867 1.00 0.92 O ATOM 934 CB ASN A 56 -2.908 37.816 17.778 1.00 0.92 C ATOM 935 CG ASN A 56 -3.420 36.604 16.999 1.00 0.85 C ATOM 936 OD1 ASN A 56 -4.547 36.185 17.176 1.00 1.37 O ATOM 937 ND2 ASN A 56 -2.632 36.015 16.143 1.00 1.36 N ATOM 0 H ASN A 56 -3.020 36.388 20.203 1.00 0.78 H new ATOM 0 HA ASN A 56 -0.910 37.097 18.189 1.00 0.86 H new ATOM 0 HB2 ASN A 56 -3.725 38.281 18.330 1.00 0.92 H new ATOM 0 HB3 ASN A 56 -2.519 38.568 17.091 1.00 0.92 H new ATOM 0 HD21 ASN A 56 -2.961 35.202 15.622 1.00 1.36 H new ATOM 0 HD22 ASN A 56 -1.686 36.367 15.995 1.00 1.36 H new ATOM 944 N ALA A 57 -2.505 39.015 20.349 1.00 1.13 N ATOM 945 CA ALA A 57 -2.297 40.138 21.302 1.00 1.24 C ATOM 946 C ALA A 57 -3.407 40.103 22.357 1.00 1.36 C ATOM 947 O ALA A 57 -4.552 40.394 22.075 1.00 1.50 O ATOM 948 CB ALA A 57 -2.337 41.448 20.502 1.00 1.33 C ATOM 0 H ALA A 57 -3.472 38.707 20.252 1.00 1.13 H new ATOM 0 HA ALA A 57 -1.337 40.057 21.812 1.00 1.24 H new ATOM 0 HB1 ALA A 57 -2.187 42.291 21.177 1.00 1.33 H new ATOM 0 HB2 ALA A 57 -1.548 41.440 19.750 1.00 1.33 H new ATOM 0 HB3 ALA A 57 -3.305 41.545 20.010 1.00 1.33 H new ATOM 954 N TRP A 58 -3.072 39.739 23.566 1.00 1.35 N ATOM 955 CA TRP A 58 -4.091 39.664 24.655 1.00 1.48 C ATOM 956 C TRP A 58 -3.940 40.841 25.614 1.00 1.33 C ATOM 957 O TRP A 58 -2.850 41.214 25.999 1.00 1.26 O ATOM 958 CB TRP A 58 -3.900 38.362 25.426 1.00 1.68 C ATOM 959 CG TRP A 58 -4.238 37.217 24.537 1.00 1.88 C ATOM 960 CD1 TRP A 58 -3.422 36.687 23.598 1.00 1.95 C ATOM 961 CD2 TRP A 58 -5.472 36.457 24.492 1.00 2.05 C ATOM 962 NE1 TRP A 58 -4.081 35.644 22.974 1.00 2.16 N ATOM 963 CE2 TRP A 58 -5.349 35.460 23.490 1.00 2.23 C ATOM 964 CE3 TRP A 58 -6.676 36.537 25.219 1.00 2.08 C ATOM 965 CZ2 TRP A 58 -6.395 34.569 23.219 1.00 2.44 C ATOM 966 CZ3 TRP A 58 -7.729 35.644 24.951 1.00 2.29 C ATOM 967 CH2 TRP A 58 -7.589 34.662 23.954 1.00 2.47 C ATOM 0 H TRP A 58 -2.125 39.487 23.849 1.00 1.35 H new ATOM 0 HA TRP A 58 -5.086 39.699 24.211 1.00 1.48 H new ATOM 0 HB2 TRP A 58 -2.870 38.278 25.773 1.00 1.68 H new ATOM 0 HB3 TRP A 58 -4.536 38.352 26.311 1.00 1.68 H new ATOM 0 HD1 TRP A 58 -2.421 37.023 23.373 1.00 1.95 H new ATOM 0 HE1 TRP A 58 -3.680 35.080 22.225 1.00 2.16 H new ATOM 0 HE3 TRP A 58 -6.791 37.288 25.986 1.00 2.08 H new ATOM 0 HZ2 TRP A 58 -6.285 33.817 22.452 1.00 2.44 H new ATOM 0 HZ3 TRP A 58 -8.649 35.713 25.513 1.00 2.29 H new ATOM 0 HH2 TRP A 58 -8.400 33.978 23.753 1.00 2.47 H new ATOM 978 N GLY A 59 -5.029 41.425 26.015 1.00 1.34 N ATOM 979 CA GLY A 59 -4.941 42.566 26.959 1.00 1.27 C ATOM 980 C GLY A 59 -4.197 43.707 26.282 1.00 1.16 C ATOM 981 O GLY A 59 -3.848 44.685 26.889 1.00 1.14 O ATOM 0 H GLY A 59 -5.973 41.163 25.731 1.00 1.34 H new ATOM 0 HA2 GLY A 59 -5.939 42.889 27.254 1.00 1.27 H new ATOM 0 HA3 GLY A 59 -4.422 42.264 27.868 1.00 1.27 H new ATOM 985 N ALA A 60 -3.964 43.617 25.015 1.00 1.14 N ATOM 986 CA ALA A 60 -3.255 44.729 24.346 1.00 1.12 C ATOM 987 C ALA A 60 -4.206 45.920 24.283 1.00 1.02 C ATOM 988 O ALA A 60 -4.191 46.655 23.347 1.00 1.05 O ATOM 989 CB ALA A 60 -2.800 44.295 22.941 1.00 1.20 C ATOM 0 H ALA A 60 -4.228 42.834 24.417 1.00 1.14 H new ATOM 0 HA ALA A 60 -2.360 45.010 24.902 1.00 1.12 H new ATOM 0 HB1 ALA A 60 -2.279 45.120 22.456 1.00 1.20 H new ATOM 0 HB2 ALA A 60 -2.128 43.441 23.024 1.00 1.20 H new ATOM 0 HB3 ALA A 60 -3.670 44.016 22.347 1.00 1.20 H new ATOM 995 N ALA A 61 -5.072 46.101 25.242 1.00 0.96 N ATOM 996 CA ALA A 61 -5.996 47.269 25.165 1.00 0.92 C ATOM 997 C ALA A 61 -6.640 47.528 26.533 1.00 1.17 C ATOM 998 O ALA A 61 -7.409 46.720 27.013 1.00 1.25 O ATOM 999 CB ALA A 61 -7.067 46.990 24.116 1.00 0.72 C ATOM 0 H ALA A 61 -5.180 45.503 26.062 1.00 0.96 H new ATOM 0 HA ALA A 61 -5.435 48.159 24.880 1.00 0.92 H new ATOM 0 HB1 ALA A 61 -7.746 47.840 24.054 1.00 0.72 H new ATOM 0 HB2 ALA A 61 -6.594 46.832 23.147 1.00 0.72 H new ATOM 0 HB3 ALA A 61 -7.627 46.098 24.396 1.00 0.72 H new ATOM 1005 N PHE A 62 -6.339 48.644 27.164 1.00 1.49 N ATOM 1006 CA PHE A 62 -6.943 48.951 28.506 1.00 1.80 C ATOM 1007 C PHE A 62 -7.817 50.191 28.442 1.00 1.70 C ATOM 1008 O PHE A 62 -8.229 50.712 29.459 1.00 1.94 O ATOM 1009 CB PHE A 62 -5.829 49.162 29.532 1.00 2.32 C ATOM 1010 CG PHE A 62 -5.342 47.801 29.914 1.00 2.70 C ATOM 1011 CD1 PHE A 62 -4.446 47.147 29.076 1.00 2.93 C ATOM 1012 CD2 PHE A 62 -5.843 47.159 31.060 1.00 2.88 C ATOM 1013 CE1 PHE A 62 -4.045 45.850 29.382 1.00 3.28 C ATOM 1014 CE2 PHE A 62 -5.424 45.854 31.369 1.00 3.25 C ATOM 1015 CZ PHE A 62 -4.523 45.198 30.521 1.00 3.42 C ATOM 0 H PHE A 62 -5.701 49.355 26.807 1.00 1.49 H new ATOM 0 HA PHE A 62 -7.566 48.108 28.803 1.00 1.80 H new ATOM 0 HB2 PHE A 62 -5.021 49.759 29.110 1.00 2.32 H new ATOM 0 HB3 PHE A 62 -6.201 49.700 30.404 1.00 2.32 H new ATOM 0 HD1 PHE A 62 -4.064 47.641 28.195 1.00 2.93 H new ATOM 0 HD2 PHE A 62 -6.548 47.667 31.701 1.00 2.88 H new ATOM 0 HE1 PHE A 62 -3.353 45.339 28.728 1.00 3.28 H new ATOM 0 HE2 PHE A 62 -5.794 45.360 32.255 1.00 3.25 H new ATOM 0 HZ PHE A 62 -4.199 44.193 30.747 1.00 3.42 H new ATOM 1025 N ARG A 63 -8.143 50.645 27.267 1.00 1.42 N ATOM 1026 CA ARG A 63 -9.042 51.824 27.160 1.00 1.40 C ATOM 1027 C ARG A 63 -10.050 51.527 26.070 1.00 1.24 C ATOM 1028 O ARG A 63 -10.700 52.401 25.534 1.00 1.34 O ATOM 1029 CB ARG A 63 -8.220 53.053 26.781 1.00 1.66 C ATOM 1030 CG ARG A 63 -6.823 52.940 27.402 1.00 2.30 C ATOM 1031 CD ARG A 63 -6.087 54.290 27.332 1.00 2.72 C ATOM 1032 NE ARG A 63 -7.035 55.388 26.989 1.00 3.14 N ATOM 1033 CZ ARG A 63 -6.845 56.597 27.424 1.00 3.66 C ATOM 1034 NH1 ARG A 63 -5.831 56.872 28.197 1.00 3.90 N ATOM 1035 NH2 ARG A 63 -7.694 57.532 27.100 1.00 4.35 N ATOM 0 H ARG A 63 -7.828 50.253 26.380 1.00 1.42 H new ATOM 0 HA ARG A 63 -9.546 52.018 28.107 1.00 1.40 H new ATOM 0 HB2 ARG A 63 -8.143 53.133 25.697 1.00 1.66 H new ATOM 0 HB3 ARG A 63 -8.715 53.958 27.133 1.00 1.66 H new ATOM 0 HG2 ARG A 63 -6.906 52.618 28.440 1.00 2.30 H new ATOM 0 HG3 ARG A 63 -6.247 52.178 26.877 1.00 2.30 H new ATOM 0 HD2 ARG A 63 -5.610 54.500 28.289 1.00 2.72 H new ATOM 0 HD3 ARG A 63 -5.295 54.240 26.585 1.00 2.72 H new ATOM 0 HE ARG A 63 -7.846 55.187 26.404 1.00 3.14 H new ATOM 0 HH11 ARG A 63 -5.179 56.135 28.465 1.00 3.90 H new ATOM 0 HH12 ARG A 63 -5.690 57.824 28.534 1.00 3.90 H new ATOM 0 HH21 ARG A 63 -8.497 57.310 26.511 1.00 4.35 H new ATOM 0 HH22 ARG A 63 -7.555 58.485 27.436 1.00 4.35 H new ATOM 1049 N GLN A 64 -10.201 50.273 25.787 1.00 1.12 N ATOM 1050 CA GLN A 64 -11.174 49.829 24.769 1.00 1.12 C ATOM 1051 C GLN A 64 -11.764 48.530 25.288 1.00 1.12 C ATOM 1052 O GLN A 64 -11.109 47.784 25.990 1.00 1.09 O ATOM 1053 CB GLN A 64 -10.467 49.589 23.425 1.00 1.17 C ATOM 1054 CG GLN A 64 -9.960 50.923 22.815 1.00 1.37 C ATOM 1055 CD GLN A 64 -8.423 51.012 22.824 1.00 1.77 C ATOM 1056 OE1 GLN A 64 -7.722 50.291 23.657 1.00 2.44 O flip ATOM 1057 NE2 GLN A 64 -7.853 51.762 22.056 1.00 1.84 N flip ATOM 0 H GLN A 64 -9.677 49.519 26.231 1.00 1.12 H new ATOM 0 HA GLN A 64 -11.946 50.581 24.603 1.00 1.12 H new ATOM 0 HB2 GLN A 64 -9.627 48.909 23.568 1.00 1.17 H new ATOM 0 HB3 GLN A 64 -11.154 49.106 22.730 1.00 1.17 H new ATOM 0 HG2 GLN A 64 -10.323 51.015 21.791 1.00 1.37 H new ATOM 0 HG3 GLN A 64 -10.375 51.760 23.377 1.00 1.37 H new ATOM 0 HE21 GLN A 64 -8.393 52.329 21.402 1.00 1.84 H new ATOM 0 HE22 GLN A 64 -6.835 51.825 22.066 1.00 1.84 H new ATOM 1066 N VAL A 65 -12.985 48.247 24.957 1.00 1.28 N ATOM 1067 CA VAL A 65 -13.614 46.990 25.438 1.00 1.44 C ATOM 1068 C VAL A 65 -13.621 46.013 24.269 1.00 1.49 C ATOM 1069 O VAL A 65 -14.652 45.551 23.823 1.00 1.73 O ATOM 1070 CB VAL A 65 -15.041 47.314 25.890 1.00 1.71 C ATOM 1071 CG1 VAL A 65 -15.627 46.152 26.724 1.00 1.94 C ATOM 1072 CG2 VAL A 65 -15.005 48.612 26.718 1.00 1.68 C ATOM 0 H VAL A 65 -13.580 48.833 24.371 1.00 1.28 H new ATOM 0 HA VAL A 65 -13.073 46.551 26.277 1.00 1.44 H new ATOM 0 HB VAL A 65 -15.682 47.448 25.019 1.00 1.71 H new ATOM 0 HG11 VAL A 65 -16.641 46.403 27.035 1.00 1.94 H new ATOM 0 HG12 VAL A 65 -15.646 45.245 26.120 1.00 1.94 H new ATOM 0 HG13 VAL A 65 -15.007 45.988 27.606 1.00 1.94 H new ATOM 0 HG21 VAL A 65 -16.013 48.860 27.050 1.00 1.68 H new ATOM 0 HG22 VAL A 65 -14.362 48.472 27.587 1.00 1.68 H new ATOM 0 HG23 VAL A 65 -14.615 49.424 26.105 1.00 1.68 H new ATOM 1082 N ALA A 66 -12.452 45.711 23.766 1.00 1.31 N ATOM 1083 CA ALA A 66 -12.343 44.778 22.614 1.00 1.38 C ATOM 1084 C ALA A 66 -11.014 44.018 22.692 1.00 1.17 C ATOM 1085 O ALA A 66 -10.061 44.466 23.299 1.00 1.01 O ATOM 1086 CB ALA A 66 -12.407 45.594 21.312 1.00 1.51 C ATOM 0 H ALA A 66 -11.563 46.076 24.109 1.00 1.31 H new ATOM 0 HA ALA A 66 -13.161 44.058 22.637 1.00 1.38 H new ATOM 0 HB1 ALA A 66 -12.328 44.922 20.457 1.00 1.51 H new ATOM 0 HB2 ALA A 66 -13.354 46.131 21.265 1.00 1.51 H new ATOM 0 HB3 ALA A 66 -11.584 46.308 21.289 1.00 1.51 H new ATOM 1092 N HIS A 67 -10.952 42.882 22.055 1.00 1.23 N ATOM 1093 CA HIS A 67 -9.703 42.064 22.036 1.00 1.06 C ATOM 1094 C HIS A 67 -9.392 41.730 20.579 1.00 1.10 C ATOM 1095 O HIS A 67 -10.270 41.356 19.827 1.00 1.27 O ATOM 1096 CB HIS A 67 -9.904 40.785 22.852 1.00 1.11 C ATOM 1097 CG HIS A 67 -9.841 41.121 24.319 1.00 1.13 C ATOM 1098 ND1 HIS A 67 -10.747 40.611 25.238 1.00 1.36 N ATOM 1099 CD2 HIS A 67 -8.988 41.923 25.042 1.00 1.02 C ATOM 1100 CE1 HIS A 67 -10.423 41.105 26.447 1.00 1.39 C ATOM 1101 NE2 HIS A 67 -9.360 41.908 26.381 1.00 1.19 N ATOM 0 H HIS A 67 -11.730 42.476 21.535 1.00 1.23 H new ATOM 0 HA HIS A 67 -8.873 42.614 22.479 1.00 1.06 H new ATOM 0 HB2 HIS A 67 -10.866 40.332 22.611 1.00 1.11 H new ATOM 0 HB3 HIS A 67 -9.136 40.054 22.600 1.00 1.11 H new ATOM 0 HD2 HIS A 67 -8.157 42.478 24.632 1.00 1.02 H new ATOM 0 HE1 HIS A 67 -10.957 40.879 27.358 1.00 1.39 H new ATOM 0 HE2 HIS A 67 -8.914 42.406 27.151 1.00 1.19 H new ATOM 1109 N THR A 68 -8.166 41.897 20.153 1.00 1.01 N ATOM 1110 CA THR A 68 -7.841 41.623 18.722 1.00 1.12 C ATOM 1111 C THR A 68 -7.346 40.184 18.561 1.00 0.99 C ATOM 1112 O THR A 68 -6.307 39.803 19.061 1.00 0.86 O ATOM 1113 CB THR A 68 -6.766 42.615 18.255 1.00 1.20 C ATOM 1114 OG1 THR A 68 -6.334 42.255 16.951 1.00 1.39 O ATOM 1115 CG2 THR A 68 -5.558 42.623 19.212 1.00 1.09 C ATOM 0 H THR A 68 -7.383 42.208 20.728 1.00 1.01 H new ATOM 0 HA THR A 68 -8.736 41.746 18.112 1.00 1.12 H new ATOM 0 HB THR A 68 -7.200 43.615 18.247 1.00 1.20 H new ATOM 0 HG1 THR A 68 -5.649 42.886 16.648 1.00 1.39 H new ATOM 0 HG21 THR A 68 -4.815 43.335 18.854 1.00 1.09 H new ATOM 0 HG22 THR A 68 -5.887 42.913 20.210 1.00 1.09 H new ATOM 0 HG23 THR A 68 -5.117 41.627 19.250 1.00 1.09 H new ATOM 1123 N THR A 69 -8.102 39.381 17.855 1.00 1.06 N ATOM 1124 CA THR A 69 -7.720 37.954 17.628 1.00 0.95 C ATOM 1125 C THR A 69 -7.405 37.759 16.145 1.00 0.99 C ATOM 1126 O THR A 69 -8.216 38.040 15.286 1.00 1.16 O ATOM 1127 CB THR A 69 -8.881 37.036 18.036 1.00 1.05 C ATOM 1128 OG1 THR A 69 -8.556 35.700 17.679 1.00 1.09 O ATOM 1129 CG2 THR A 69 -10.190 37.444 17.332 1.00 1.28 C ATOM 0 H THR A 69 -8.982 39.659 17.420 1.00 1.06 H new ATOM 0 HA THR A 69 -6.845 37.705 18.228 1.00 0.95 H new ATOM 0 HB THR A 69 -9.031 37.122 19.112 1.00 1.05 H new ATOM 0 HG1 THR A 69 -9.291 35.105 17.937 1.00 1.09 H new ATOM 0 HG21 THR A 69 -10.993 36.775 17.641 1.00 1.28 H new ATOM 0 HG22 THR A 69 -10.445 38.468 17.604 1.00 1.28 H new ATOM 0 HG23 THR A 69 -10.058 37.378 16.252 1.00 1.28 H new ATOM 1137 N VAL A 70 -6.221 37.297 15.841 1.00 0.89 N ATOM 1138 CA VAL A 70 -5.819 37.095 14.416 1.00 0.97 C ATOM 1139 C VAL A 70 -5.341 35.652 14.220 1.00 0.85 C ATOM 1140 O VAL A 70 -4.160 35.374 14.278 1.00 0.80 O ATOM 1141 CB VAL A 70 -4.672 38.059 14.089 1.00 1.07 C ATOM 1142 CG1 VAL A 70 -4.208 37.886 12.621 1.00 1.24 C ATOM 1143 CG2 VAL A 70 -5.164 39.493 14.328 1.00 1.18 C ATOM 0 H VAL A 70 -5.507 37.048 16.526 1.00 0.89 H new ATOM 0 HA VAL A 70 -6.667 37.286 13.759 1.00 0.97 H new ATOM 0 HB VAL A 70 -3.818 37.844 14.731 1.00 1.07 H new ATOM 0 HG11 VAL A 70 -3.394 38.580 12.413 1.00 1.24 H new ATOM 0 HG12 VAL A 70 -3.862 36.864 12.467 1.00 1.24 H new ATOM 0 HG13 VAL A 70 -5.041 38.092 11.949 1.00 1.24 H new ATOM 0 HG21 VAL A 70 -4.362 40.195 14.101 1.00 1.18 H new ATOM 0 HG22 VAL A 70 -6.018 39.697 13.683 1.00 1.18 H new ATOM 0 HG23 VAL A 70 -5.461 39.607 15.370 1.00 1.18 H new ATOM 1153 N PRO A 71 -6.251 34.738 13.984 1.00 0.84 N ATOM 1154 CA PRO A 71 -5.907 33.310 13.769 1.00 0.75 C ATOM 1155 C PRO A 71 -5.464 33.049 12.328 1.00 0.74 C ATOM 1156 O PRO A 71 -6.096 32.321 11.589 1.00 0.78 O ATOM 1157 CB PRO A 71 -7.207 32.577 14.107 1.00 0.83 C ATOM 1158 CG PRO A 71 -8.298 33.544 13.762 1.00 0.99 C ATOM 1159 CD PRO A 71 -7.706 34.958 13.895 1.00 0.98 C ATOM 0 HA PRO A 71 -5.067 32.979 14.380 1.00 0.75 H new ATOM 0 HB2 PRO A 71 -7.301 31.655 13.533 1.00 0.83 H new ATOM 0 HB3 PRO A 71 -7.242 32.302 15.161 1.00 0.83 H new ATOM 0 HG2 PRO A 71 -8.660 33.371 12.748 1.00 0.99 H new ATOM 0 HG3 PRO A 71 -9.150 33.418 14.430 1.00 0.99 H new ATOM 0 HD2 PRO A 71 -7.962 35.579 13.037 1.00 0.98 H new ATOM 0 HD3 PRO A 71 -8.086 35.467 14.781 1.00 0.98 H new ATOM 1167 N TRP A 72 -4.375 33.649 11.930 1.00 0.72 N ATOM 1168 CA TRP A 72 -3.869 33.458 10.543 1.00 0.75 C ATOM 1169 C TRP A 72 -3.354 32.022 10.396 1.00 0.67 C ATOM 1170 O TRP A 72 -2.595 31.569 11.223 1.00 0.60 O ATOM 1171 CB TRP A 72 -2.709 34.426 10.304 1.00 0.78 C ATOM 1172 CG TRP A 72 -2.369 34.443 8.850 1.00 0.84 C ATOM 1173 CD1 TRP A 72 -3.136 34.998 7.884 1.00 0.94 C ATOM 1174 CD2 TRP A 72 -1.196 33.895 8.180 1.00 0.84 C ATOM 1175 NE1 TRP A 72 -2.512 34.829 6.662 1.00 0.99 N ATOM 1176 CE2 TRP A 72 -1.314 34.155 6.789 1.00 0.93 C ATOM 1177 CE3 TRP A 72 -0.052 33.205 8.636 1.00 0.79 C ATOM 1178 CZ2 TRP A 72 -0.328 33.744 5.881 1.00 0.97 C ATOM 1179 CZ3 TRP A 72 0.941 32.789 7.726 1.00 0.84 C ATOM 1180 CH2 TRP A 72 0.802 33.058 6.352 1.00 0.92 C ATOM 0 H TRP A 72 -3.811 34.268 12.512 1.00 0.72 H new ATOM 0 HA TRP A 72 -4.667 33.644 9.824 1.00 0.75 H new ATOM 0 HB2 TRP A 72 -2.982 35.427 10.637 1.00 0.78 H new ATOM 0 HB3 TRP A 72 -1.841 34.122 10.888 1.00 0.78 H new ATOM 0 HD1 TRP A 72 -4.083 35.493 8.042 1.00 0.94 H new ATOM 0 HE1 TRP A 72 -2.890 35.162 5.775 1.00 0.99 H new ATOM 0 HE3 TRP A 72 0.063 32.994 9.689 1.00 0.79 H new ATOM 0 HZ2 TRP A 72 -0.437 33.954 4.827 1.00 0.97 H new ATOM 0 HZ3 TRP A 72 1.812 32.261 8.085 1.00 0.84 H new ATOM 0 HH2 TRP A 72 1.566 32.736 5.659 1.00 0.92 H new ATOM 1191 N PRO A 73 -3.740 31.296 9.373 1.00 0.71 N ATOM 1192 CA PRO A 73 -3.270 29.895 9.194 1.00 0.66 C ATOM 1193 C PRO A 73 -1.796 29.743 9.578 1.00 0.58 C ATOM 1194 O PRO A 73 -1.014 30.659 9.416 1.00 0.61 O ATOM 1195 CB PRO A 73 -3.475 29.648 7.697 1.00 0.75 C ATOM 1196 CG PRO A 73 -4.647 30.504 7.323 1.00 0.84 C ATOM 1197 CD PRO A 73 -4.641 31.706 8.281 1.00 0.82 C ATOM 0 HA PRO A 73 -3.805 29.186 9.826 1.00 0.66 H new ATOM 0 HB2 PRO A 73 -2.588 29.921 7.126 1.00 0.75 H new ATOM 0 HB3 PRO A 73 -3.673 28.596 7.493 1.00 0.75 H new ATOM 0 HG2 PRO A 73 -4.570 30.835 6.287 1.00 0.84 H new ATOM 0 HG3 PRO A 73 -5.578 29.944 7.410 1.00 0.84 H new ATOM 0 HD2 PRO A 73 -4.281 32.608 7.786 1.00 0.82 H new ATOM 0 HD3 PRO A 73 -5.642 31.924 8.652 1.00 0.82 H new ATOM 1205 N ASN A 74 -1.409 28.597 10.079 1.00 0.52 N ATOM 1206 CA ASN A 74 0.021 28.385 10.468 1.00 0.48 C ATOM 1207 C ASN A 74 0.529 27.103 9.820 1.00 0.50 C ATOM 1208 O ASN A 74 1.561 27.077 9.196 1.00 0.80 O ATOM 1209 CB ASN A 74 0.142 28.258 11.988 1.00 0.47 C ATOM 1210 CG ASN A 74 1.624 28.266 12.369 1.00 0.53 C ATOM 1211 OD1 ASN A 74 2.144 29.327 12.920 1.00 1.17 O flip ATOM 1212 ND2 ASN A 74 2.322 27.297 12.156 1.00 1.26 N flip ATOM 0 H ASN A 74 -2.022 27.797 10.236 1.00 0.52 H new ATOM 0 HA ASN A 74 0.612 29.237 10.132 1.00 0.48 H new ATOM 0 HB2 ASN A 74 -0.378 29.082 12.478 1.00 0.47 H new ATOM 0 HB3 ASN A 74 -0.330 27.336 12.328 1.00 0.47 H new ATOM 0 HD21 ASN A 74 1.921 26.464 11.725 1.00 1.26 H new ATOM 0 HD22 ASN A 74 3.310 27.315 12.408 1.00 1.26 H new ATOM 1219 N ALA A 75 -0.192 26.032 9.955 1.00 0.47 N ATOM 1220 CA ALA A 75 0.255 24.753 9.340 1.00 0.47 C ATOM 1221 C ALA A 75 -0.334 24.647 7.939 1.00 0.46 C ATOM 1222 O ALA A 75 -1.532 24.725 7.757 1.00 0.47 O ATOM 1223 CB ALA A 75 -0.233 23.583 10.191 1.00 0.53 C ATOM 0 H ALA A 75 -1.074 25.984 10.465 1.00 0.47 H new ATOM 0 HA ALA A 75 1.343 24.727 9.285 1.00 0.47 H new ATOM 0 HB1 ALA A 75 0.094 22.645 9.742 1.00 0.53 H new ATOM 0 HB2 ALA A 75 0.180 23.667 11.196 1.00 0.53 H new ATOM 0 HB3 ALA A 75 -1.322 23.600 10.243 1.00 0.53 H new ATOM 1229 N SER A 76 0.486 24.467 6.941 1.00 0.47 N ATOM 1230 CA SER A 76 -0.070 24.358 5.568 1.00 0.48 C ATOM 1231 C SER A 76 -0.579 22.932 5.406 1.00 0.48 C ATOM 1232 O SER A 76 0.179 21.991 5.277 1.00 0.49 O ATOM 1233 CB SER A 76 1.026 24.637 4.538 1.00 0.54 C ATOM 1234 OG SER A 76 0.724 23.948 3.332 1.00 1.38 O ATOM 0 H SER A 76 1.500 24.392 7.016 1.00 0.47 H new ATOM 0 HA SER A 76 -0.872 25.080 5.415 1.00 0.48 H new ATOM 0 HB2 SER A 76 1.100 25.708 4.350 1.00 0.54 H new ATOM 0 HB3 SER A 76 1.993 24.314 4.923 1.00 0.54 H new ATOM 0 HG SER A 76 1.424 24.126 2.669 1.00 1.38 H new ATOM 1240 N LEU A 77 -1.869 22.773 5.457 1.00 0.50 N ATOM 1241 CA LEU A 77 -2.464 21.418 5.356 1.00 0.53 C ATOM 1242 C LEU A 77 -2.522 20.982 3.900 1.00 0.52 C ATOM 1243 O LEU A 77 -2.923 21.724 3.025 1.00 0.55 O ATOM 1244 CB LEU A 77 -3.876 21.455 5.945 1.00 0.61 C ATOM 1245 CG LEU A 77 -3.851 22.129 7.327 1.00 0.65 C ATOM 1246 CD1 LEU A 77 -5.289 22.285 7.856 1.00 0.75 C ATOM 1247 CD2 LEU A 77 -3.016 21.283 8.303 1.00 0.66 C ATOM 0 H LEU A 77 -2.542 23.532 5.565 1.00 0.50 H new ATOM 0 HA LEU A 77 -1.851 20.705 5.908 1.00 0.53 H new ATOM 0 HB2 LEU A 77 -4.543 22.000 5.277 1.00 0.61 H new ATOM 0 HB3 LEU A 77 -4.269 20.442 6.032 1.00 0.61 H new ATOM 0 HG LEU A 77 -3.398 23.116 7.239 1.00 0.65 H new ATOM 0 HD11 LEU A 77 -5.267 22.763 8.835 1.00 0.75 H new ATOM 0 HD12 LEU A 77 -5.866 22.900 7.165 1.00 0.75 H new ATOM 0 HD13 LEU A 77 -5.754 21.303 7.942 1.00 0.75 H new ATOM 0 HD21 LEU A 77 -3.001 21.764 9.281 1.00 0.66 H new ATOM 0 HD22 LEU A 77 -3.457 20.291 8.394 1.00 0.66 H new ATOM 0 HD23 LEU A 77 -1.997 21.194 7.927 1.00 0.66 H new ATOM 1259 N THR A 78 -2.135 19.765 3.645 1.00 0.51 N ATOM 1260 CA THR A 78 -2.172 19.237 2.257 1.00 0.51 C ATOM 1261 C THR A 78 -3.500 18.495 2.058 1.00 0.57 C ATOM 1262 O THR A 78 -3.726 17.469 2.667 1.00 0.66 O ATOM 1263 CB THR A 78 -1.008 18.269 2.055 1.00 0.54 C ATOM 1264 OG1 THR A 78 -1.054 17.783 0.722 1.00 0.61 O ATOM 1265 CG2 THR A 78 -1.100 17.103 3.051 1.00 0.63 C ATOM 0 H THR A 78 -1.792 19.108 4.346 1.00 0.51 H new ATOM 0 HA THR A 78 -2.088 20.052 1.538 1.00 0.51 H new ATOM 0 HB THR A 78 -0.064 18.785 2.230 1.00 0.54 H new ATOM 0 HG1 THR A 78 -0.305 18.156 0.212 1.00 0.61 H new ATOM 0 HG21 THR A 78 -0.263 16.423 2.893 1.00 0.63 H new ATOM 0 HG22 THR A 78 -1.066 17.491 4.069 1.00 0.63 H new ATOM 0 HG23 THR A 78 -2.037 16.567 2.898 1.00 0.63 H new ATOM 1273 N PRO A 79 -4.393 18.987 1.239 1.00 0.65 N ATOM 1274 CA PRO A 79 -5.695 18.315 1.014 1.00 0.77 C ATOM 1275 C PRO A 79 -5.667 17.320 -0.149 1.00 0.67 C ATOM 1276 O PRO A 79 -6.244 16.253 -0.075 1.00 0.70 O ATOM 1277 CB PRO A 79 -6.605 19.491 0.669 1.00 0.98 C ATOM 1278 CG PRO A 79 -5.726 20.410 -0.117 1.00 0.96 C ATOM 1279 CD PRO A 79 -4.305 20.230 0.443 1.00 0.75 C ATOM 0 HA PRO A 79 -6.005 17.723 1.875 1.00 0.77 H new ATOM 0 HB2 PRO A 79 -7.469 19.170 0.087 1.00 0.98 H new ATOM 0 HB3 PRO A 79 -6.988 19.976 1.567 1.00 0.98 H new ATOM 0 HG2 PRO A 79 -5.759 20.167 -1.179 1.00 0.96 H new ATOM 0 HG3 PRO A 79 -6.056 21.444 -0.017 1.00 0.96 H new ATOM 0 HD2 PRO A 79 -3.569 20.142 -0.356 1.00 0.75 H new ATOM 0 HD3 PRO A 79 -4.007 21.079 1.059 1.00 0.75 H new ATOM 1287 N LYS A 80 -5.068 17.703 -1.249 1.00 0.66 N ATOM 1288 CA LYS A 80 -5.075 16.827 -2.466 1.00 0.66 C ATOM 1289 C LYS A 80 -3.680 16.443 -2.974 1.00 0.63 C ATOM 1290 O LYS A 80 -3.386 15.285 -3.197 1.00 0.65 O ATOM 1291 CB LYS A 80 -5.727 17.656 -3.585 1.00 0.79 C ATOM 1292 CG LYS A 80 -7.151 17.209 -3.889 1.00 1.31 C ATOM 1293 CD LYS A 80 -7.647 18.117 -5.008 1.00 1.46 C ATOM 1294 CE LYS A 80 -9.093 17.803 -5.365 1.00 2.32 C ATOM 1295 NZ LYS A 80 -9.482 18.674 -6.507 1.00 2.96 N ATOM 0 H LYS A 80 -4.572 18.588 -1.359 1.00 0.66 H new ATOM 0 HA LYS A 80 -5.593 15.904 -2.205 1.00 0.66 H new ATOM 0 HB2 LYS A 80 -5.733 18.707 -3.297 1.00 0.79 H new ATOM 0 HB3 LYS A 80 -5.124 17.577 -4.490 1.00 0.79 H new ATOM 0 HG2 LYS A 80 -7.174 16.163 -4.196 1.00 1.31 H new ATOM 0 HG3 LYS A 80 -7.784 17.296 -3.006 1.00 1.31 H new ATOM 0 HD2 LYS A 80 -7.563 19.159 -4.700 1.00 1.46 H new ATOM 0 HD3 LYS A 80 -7.016 17.993 -5.888 1.00 1.46 H new ATOM 0 HE2 LYS A 80 -9.200 16.752 -5.633 1.00 2.32 H new ATOM 0 HE3 LYS A 80 -9.745 17.982 -4.510 1.00 2.32 H new ATOM 0 HZ1 LYS A 80 -10.469 18.479 -6.772 1.00 2.96 H new ATOM 0 HZ2 LYS A 80 -9.388 19.672 -6.230 1.00 2.96 H new ATOM 0 HZ3 LYS A 80 -8.861 18.480 -7.319 1.00 2.96 H new ATOM 1309 N TRP A 81 -2.867 17.416 -3.270 1.00 0.64 N ATOM 1310 CA TRP A 81 -1.552 17.105 -3.895 1.00 0.67 C ATOM 1311 C TRP A 81 -0.801 16.029 -3.115 1.00 0.62 C ATOM 1312 O TRP A 81 -0.313 15.078 -3.691 1.00 0.63 O ATOM 1313 CB TRP A 81 -0.715 18.382 -4.041 1.00 0.72 C ATOM 1314 CG TRP A 81 -0.089 18.771 -2.742 1.00 0.68 C ATOM 1315 CD1 TRP A 81 0.983 18.164 -2.184 1.00 0.69 C ATOM 1316 CD2 TRP A 81 -0.455 19.862 -1.850 1.00 0.67 C ATOM 1317 NE1 TRP A 81 1.294 18.804 -0.998 1.00 0.68 N ATOM 1318 CE2 TRP A 81 0.440 19.859 -0.747 1.00 0.65 C ATOM 1319 CE3 TRP A 81 -1.469 20.843 -1.886 1.00 0.70 C ATOM 1320 CZ2 TRP A 81 0.332 20.802 0.284 1.00 0.65 C ATOM 1321 CZ3 TRP A 81 -1.581 21.792 -0.852 1.00 0.71 C ATOM 1322 CH2 TRP A 81 -0.682 21.773 0.230 1.00 0.67 C ATOM 0 H TRP A 81 -3.053 18.406 -3.108 1.00 0.64 H new ATOM 0 HA TRP A 81 -1.736 16.704 -4.892 1.00 0.67 H new ATOM 0 HB2 TRP A 81 0.062 18.227 -4.790 1.00 0.72 H new ATOM 0 HB3 TRP A 81 -1.347 19.194 -4.401 1.00 0.72 H new ATOM 0 HD1 TRP A 81 1.511 17.317 -2.597 1.00 0.69 H new ATOM 0 HE1 TRP A 81 2.061 18.530 -0.384 1.00 0.68 H new ATOM 0 HE3 TRP A 81 -2.164 20.866 -2.712 1.00 0.70 H new ATOM 0 HZ2 TRP A 81 1.023 20.782 1.114 1.00 0.65 H new ATOM 0 HZ3 TRP A 81 -2.361 22.538 -0.890 1.00 0.71 H new ATOM 0 HH2 TRP A 81 -0.771 22.505 1.019 1.00 0.67 H new ATOM 1333 N ASN A 82 -0.698 16.138 -1.825 1.00 0.59 N ATOM 1334 CA ASN A 82 0.030 15.075 -1.082 1.00 0.59 C ATOM 1335 C ASN A 82 -0.841 13.830 -0.952 1.00 0.53 C ATOM 1336 O ASN A 82 -0.389 12.715 -1.118 1.00 0.49 O ATOM 1337 CB ASN A 82 0.368 15.536 0.325 1.00 0.69 C ATOM 1338 CG ASN A 82 1.254 14.476 0.966 1.00 1.07 C ATOM 1339 OD1 ASN A 82 1.895 13.707 0.277 1.00 0.96 O ATOM 1340 ND2 ASN A 82 1.329 14.405 2.265 1.00 1.86 N ATOM 0 H ASN A 82 -1.076 16.899 -1.261 1.00 0.59 H new ATOM 0 HA ASN A 82 0.941 14.856 -1.639 1.00 0.59 H new ATOM 0 HB2 ASN A 82 0.882 16.497 0.298 1.00 0.69 H new ATOM 0 HB3 ASN A 82 -0.542 15.677 0.909 1.00 0.69 H new ATOM 0 HD21 ASN A 82 1.926 13.704 2.704 1.00 1.86 H new ATOM 0 HD22 ASN A 82 0.791 15.051 2.843 1.00 1.86 H new ATOM 1347 N ASN A 83 -2.082 14.021 -0.609 1.00 0.56 N ATOM 1348 CA ASN A 83 -2.989 12.861 -0.410 1.00 0.57 C ATOM 1349 C ASN A 83 -3.032 12.009 -1.675 1.00 0.52 C ATOM 1350 O ASN A 83 -2.841 10.811 -1.634 1.00 0.51 O ATOM 1351 CB ASN A 83 -4.393 13.383 -0.106 1.00 0.66 C ATOM 1352 CG ASN A 83 -5.288 12.224 0.332 1.00 1.21 C ATOM 1353 OD1 ASN A 83 -5.491 11.283 -0.409 1.00 1.99 O ATOM 1354 ND2 ASN A 83 -5.832 12.253 1.517 1.00 1.83 N ATOM 0 H ASN A 83 -2.509 14.935 -0.457 1.00 0.56 H new ATOM 0 HA ASN A 83 -2.625 12.251 0.417 1.00 0.57 H new ATOM 0 HB2 ASN A 83 -4.349 14.138 0.679 1.00 0.66 H new ATOM 0 HB3 ASN A 83 -4.812 13.865 -0.989 1.00 0.66 H new ATOM 0 HD21 ASN A 83 -6.429 11.485 1.823 1.00 1.83 H new ATOM 0 HD22 ASN A 83 -5.660 13.044 2.138 1.00 1.83 H new ATOM 1361 N GLU A 84 -3.285 12.613 -2.798 1.00 0.52 N ATOM 1362 CA GLU A 84 -3.349 11.829 -4.059 1.00 0.52 C ATOM 1363 C GLU A 84 -1.991 11.166 -4.314 1.00 0.46 C ATOM 1364 O GLU A 84 -1.911 10.005 -4.661 1.00 0.47 O ATOM 1365 CB GLU A 84 -3.716 12.784 -5.209 1.00 0.55 C ATOM 1366 CG GLU A 84 -4.686 12.110 -6.185 1.00 1.26 C ATOM 1367 CD GLU A 84 -5.137 13.132 -7.229 1.00 1.71 C ATOM 1368 OE1 GLU A 84 -5.874 14.033 -6.865 1.00 2.23 O ATOM 1369 OE2 GLU A 84 -4.738 12.997 -8.374 1.00 2.29 O ATOM 0 H GLU A 84 -3.450 13.615 -2.898 1.00 0.52 H new ATOM 0 HA GLU A 84 -4.105 11.047 -3.988 1.00 0.52 H new ATOM 0 HB2 GLU A 84 -4.169 13.690 -4.806 1.00 0.55 H new ATOM 0 HB3 GLU A 84 -2.813 13.088 -5.738 1.00 0.55 H new ATOM 0 HG2 GLU A 84 -4.202 11.264 -6.672 1.00 1.26 H new ATOM 0 HG3 GLU A 84 -5.548 11.717 -5.647 1.00 1.26 H new ATOM 1376 N THR A 85 -0.925 11.896 -4.142 1.00 0.44 N ATOM 1377 CA THR A 85 0.422 11.306 -4.374 1.00 0.42 C ATOM 1378 C THR A 85 0.715 10.261 -3.298 1.00 0.38 C ATOM 1379 O THR A 85 1.293 9.227 -3.571 1.00 0.39 O ATOM 1380 CB THR A 85 1.479 12.410 -4.322 1.00 0.44 C ATOM 1381 OG1 THR A 85 1.305 13.165 -3.136 1.00 0.43 O ATOM 1382 CG2 THR A 85 1.329 13.321 -5.542 1.00 0.49 C ATOM 0 H THR A 85 -0.928 12.874 -3.851 1.00 0.44 H new ATOM 0 HA THR A 85 0.446 10.830 -5.354 1.00 0.42 H new ATOM 0 HB THR A 85 2.475 11.966 -4.328 1.00 0.44 H new ATOM 0 HG1 THR A 85 0.691 13.909 -3.309 1.00 0.43 H new ATOM 0 HG21 THR A 85 2.083 14.107 -5.504 1.00 0.49 H new ATOM 0 HG22 THR A 85 1.461 12.735 -6.452 1.00 0.49 H new ATOM 0 HG23 THR A 85 0.336 13.770 -5.541 1.00 0.49 H new ATOM 1390 N TRP A 86 0.332 10.513 -2.074 1.00 0.36 N ATOM 1391 CA TRP A 86 0.608 9.515 -1.005 1.00 0.34 C ATOM 1392 C TRP A 86 -0.193 8.244 -1.283 1.00 0.34 C ATOM 1393 O TRP A 86 0.294 7.146 -1.101 1.00 0.34 O ATOM 1394 CB TRP A 86 0.233 10.064 0.376 1.00 0.34 C ATOM 1395 CG TRP A 86 0.913 9.230 1.417 1.00 0.32 C ATOM 1396 CD1 TRP A 86 0.346 8.215 2.111 1.00 0.34 C ATOM 1397 CD2 TRP A 86 2.292 9.317 1.872 1.00 0.29 C ATOM 1398 NE1 TRP A 86 1.293 7.671 2.963 1.00 0.33 N ATOM 1399 CE2 TRP A 86 2.510 8.316 2.855 1.00 0.29 C ATOM 1400 CE3 TRP A 86 3.366 10.163 1.528 1.00 0.27 C ATOM 1401 CZ2 TRP A 86 3.760 8.161 3.475 1.00 0.28 C ATOM 1402 CZ3 TRP A 86 4.620 10.014 2.148 1.00 0.26 C ATOM 1403 CH2 TRP A 86 4.817 9.014 3.118 1.00 0.27 C ATOM 0 H TRP A 86 -0.154 11.357 -1.773 1.00 0.36 H new ATOM 0 HA TRP A 86 1.676 9.295 -1.006 1.00 0.34 H new ATOM 0 HB2 TRP A 86 0.539 11.106 0.466 1.00 0.34 H new ATOM 0 HB3 TRP A 86 -0.848 10.036 0.514 1.00 0.34 H new ATOM 0 HD1 TRP A 86 -0.678 7.884 2.016 1.00 0.34 H new ATOM 0 HE1 TRP A 86 1.114 6.889 3.593 1.00 0.33 H new ATOM 0 HE3 TRP A 86 3.225 10.932 0.783 1.00 0.27 H new ATOM 0 HZ2 TRP A 86 3.907 7.393 4.220 1.00 0.28 H new ATOM 0 HZ3 TRP A 86 5.435 10.670 1.878 1.00 0.26 H new ATOM 0 HH2 TRP A 86 5.783 8.902 3.589 1.00 0.27 H new ATOM 1414 N GLN A 87 -1.416 8.371 -1.728 1.00 0.37 N ATOM 1415 CA GLN A 87 -2.206 7.143 -2.010 1.00 0.39 C ATOM 1416 C GLN A 87 -1.451 6.328 -3.059 1.00 0.37 C ATOM 1417 O GLN A 87 -1.260 5.140 -2.911 1.00 0.38 O ATOM 1418 CB GLN A 87 -3.590 7.518 -2.552 1.00 0.43 C ATOM 1419 CG GLN A 87 -4.455 8.105 -1.434 1.00 0.46 C ATOM 1420 CD GLN A 87 -5.730 8.698 -2.040 1.00 0.53 C ATOM 1421 OE1 GLN A 87 -5.773 8.997 -3.217 1.00 1.21 O ATOM 1422 NE2 GLN A 87 -6.779 8.880 -1.284 1.00 1.03 N ATOM 0 H GLN A 87 -1.892 9.255 -1.905 1.00 0.37 H new ATOM 0 HA GLN A 87 -2.338 6.565 -1.095 1.00 0.39 H new ATOM 0 HB2 GLN A 87 -3.488 8.242 -3.361 1.00 0.43 H new ATOM 0 HB3 GLN A 87 -4.075 6.637 -2.972 1.00 0.43 H new ATOM 0 HG2 GLN A 87 -4.709 7.331 -0.710 1.00 0.46 H new ATOM 0 HG3 GLN A 87 -3.902 8.875 -0.896 1.00 0.46 H new ATOM 0 HE21 GLN A 87 -6.745 8.630 -0.296 1.00 1.03 H new ATOM 0 HE22 GLN A 87 -7.632 9.272 -1.682 1.00 1.03 H new ATOM 1431 N GLU A 88 -0.986 6.964 -4.100 1.00 0.37 N ATOM 1432 CA GLU A 88 -0.222 6.219 -5.143 1.00 0.37 C ATOM 1433 C GLU A 88 0.964 5.509 -4.485 1.00 0.34 C ATOM 1434 O GLU A 88 1.260 4.369 -4.782 1.00 0.35 O ATOM 1435 CB GLU A 88 0.297 7.210 -6.204 1.00 0.39 C ATOM 1436 CG GLU A 88 -0.653 7.267 -7.404 1.00 1.18 C ATOM 1437 CD GLU A 88 -0.084 8.229 -8.449 1.00 1.42 C ATOM 1438 OE1 GLU A 88 0.868 8.922 -8.129 1.00 1.96 O ATOM 1439 OE2 GLU A 88 -0.601 8.247 -9.554 1.00 1.93 O ATOM 0 H GLU A 88 -1.101 7.963 -4.274 1.00 0.37 H new ATOM 0 HA GLU A 88 -0.871 5.485 -5.620 1.00 0.37 H new ATOM 0 HB2 GLU A 88 0.395 8.203 -5.764 1.00 0.39 H new ATOM 0 HB3 GLU A 88 1.291 6.908 -6.535 1.00 0.39 H new ATOM 0 HG2 GLU A 88 -0.774 6.273 -7.835 1.00 1.18 H new ATOM 0 HG3 GLU A 88 -1.641 7.599 -7.086 1.00 1.18 H new ATOM 1446 N TRP A 89 1.650 6.179 -3.605 1.00 0.32 N ATOM 1447 CA TRP A 89 2.824 5.549 -2.940 1.00 0.30 C ATOM 1448 C TRP A 89 2.380 4.297 -2.179 1.00 0.30 C ATOM 1449 O TRP A 89 2.954 3.234 -2.318 1.00 0.30 O ATOM 1450 CB TRP A 89 3.430 6.567 -1.969 1.00 0.28 C ATOM 1451 CG TRP A 89 4.470 5.913 -1.118 1.00 0.25 C ATOM 1452 CD1 TRP A 89 5.717 5.595 -1.528 1.00 0.25 C ATOM 1453 CD2 TRP A 89 4.377 5.505 0.279 1.00 0.24 C ATOM 1454 NE1 TRP A 89 6.399 5.011 -0.476 1.00 0.23 N ATOM 1455 CE2 TRP A 89 5.619 4.932 0.659 1.00 0.23 C ATOM 1456 CE3 TRP A 89 3.349 5.572 1.244 1.00 0.26 C ATOM 1457 CZ2 TRP A 89 5.833 4.442 1.955 1.00 0.23 C ATOM 1458 CZ3 TRP A 89 3.560 5.081 2.548 1.00 0.26 C ATOM 1459 CH2 TRP A 89 4.800 4.517 2.902 1.00 0.25 C ATOM 0 H TRP A 89 1.449 7.137 -3.316 1.00 0.32 H new ATOM 0 HA TRP A 89 3.566 5.256 -3.683 1.00 0.30 H new ATOM 0 HB2 TRP A 89 3.872 7.393 -2.526 1.00 0.28 H new ATOM 0 HB3 TRP A 89 2.648 6.990 -1.339 1.00 0.28 H new ATOM 0 HD1 TRP A 89 6.116 5.768 -2.516 1.00 0.25 H new ATOM 0 HE1 TRP A 89 7.362 4.679 -0.533 1.00 0.23 H new ATOM 0 HE3 TRP A 89 2.394 6.003 0.981 1.00 0.26 H new ATOM 0 HZ2 TRP A 89 6.786 4.010 2.223 1.00 0.23 H new ATOM 0 HZ3 TRP A 89 2.767 5.138 3.279 1.00 0.26 H new ATOM 0 HH2 TRP A 89 4.957 4.142 3.903 1.00 0.25 H new ATOM 1470 N GLU A 90 1.361 4.417 -1.378 1.00 0.31 N ATOM 1471 CA GLU A 90 0.875 3.241 -0.606 1.00 0.33 C ATOM 1472 C GLU A 90 0.431 2.139 -1.566 1.00 0.33 C ATOM 1473 O GLU A 90 0.652 0.967 -1.331 1.00 0.34 O ATOM 1474 CB GLU A 90 -0.312 3.673 0.257 1.00 0.37 C ATOM 1475 CG GLU A 90 -0.810 2.489 1.087 1.00 0.85 C ATOM 1476 CD GLU A 90 -1.890 2.973 2.057 1.00 1.16 C ATOM 1477 OE1 GLU A 90 -1.683 4.004 2.675 1.00 1.81 O ATOM 1478 OE2 GLU A 90 -2.906 2.306 2.163 1.00 1.68 O ATOM 0 H GLU A 90 0.842 5.281 -1.224 1.00 0.31 H new ATOM 0 HA GLU A 90 1.677 2.860 0.026 1.00 0.33 H new ATOM 0 HB2 GLU A 90 -0.016 4.491 0.915 1.00 0.37 H new ATOM 0 HB3 GLU A 90 -1.116 4.048 -0.376 1.00 0.37 H new ATOM 0 HG2 GLU A 90 -1.212 1.715 0.433 1.00 0.85 H new ATOM 0 HG3 GLU A 90 0.017 2.043 1.639 1.00 0.85 H new ATOM 1485 N ARG A 91 -0.219 2.507 -2.633 1.00 0.34 N ATOM 1486 CA ARG A 91 -0.710 1.487 -3.599 1.00 0.36 C ATOM 1487 C ARG A 91 0.446 0.737 -4.253 1.00 0.34 C ATOM 1488 O ARG A 91 0.395 -0.466 -4.418 1.00 0.35 O ATOM 1489 CB ARG A 91 -1.513 2.175 -4.703 1.00 0.40 C ATOM 1490 CG ARG A 91 -2.848 2.710 -4.151 1.00 0.44 C ATOM 1491 CD ARG A 91 -3.920 2.589 -5.225 1.00 1.07 C ATOM 1492 NE ARG A 91 -5.133 3.316 -4.768 1.00 1.68 N ATOM 1493 CZ ARG A 91 -6.167 3.390 -5.548 1.00 2.31 C ATOM 1494 NH1 ARG A 91 -6.177 2.706 -6.659 1.00 2.62 N ATOM 1495 NH2 ARG A 91 -7.197 4.114 -5.209 1.00 3.18 N ATOM 0 H ARG A 91 -0.432 3.474 -2.879 1.00 0.34 H new ATOM 0 HA ARG A 91 -1.329 0.779 -3.047 1.00 0.36 H new ATOM 0 HB2 ARG A 91 -0.933 2.996 -5.124 1.00 0.40 H new ATOM 0 HB3 ARG A 91 -1.704 1.471 -5.513 1.00 0.40 H new ATOM 0 HG2 ARG A 91 -3.140 2.147 -3.264 1.00 0.44 H new ATOM 0 HG3 ARG A 91 -2.738 3.751 -3.846 1.00 0.44 H new ATOM 0 HD2 ARG A 91 -3.561 3.006 -6.166 1.00 1.07 H new ATOM 0 HD3 ARG A 91 -4.154 1.541 -5.409 1.00 1.07 H new ATOM 0 HE ARG A 91 -5.152 3.754 -3.847 1.00 1.68 H new ATOM 0 HH11 ARG A 91 -5.378 2.122 -6.905 1.00 2.62 H new ATOM 0 HH12 ARG A 91 -6.984 2.755 -7.281 1.00 2.62 H new ATOM 0 HH21 ARG A 91 -7.192 4.626 -4.327 1.00 3.18 H new ATOM 0 HH22 ARG A 91 -8.007 4.169 -5.826 1.00 3.18 H new ATOM 1509 N LYS A 92 1.477 1.422 -4.650 1.00 0.34 N ATOM 1510 CA LYS A 92 2.593 0.702 -5.310 1.00 0.34 C ATOM 1511 C LYS A 92 3.137 -0.328 -4.330 1.00 0.31 C ATOM 1512 O LYS A 92 3.429 -1.450 -4.692 1.00 0.32 O ATOM 1513 CB LYS A 92 3.669 1.698 -5.738 1.00 0.34 C ATOM 1514 CG LYS A 92 3.110 2.535 -6.891 1.00 0.68 C ATOM 1515 CD LYS A 92 4.202 3.430 -7.482 1.00 1.08 C ATOM 1516 CE LYS A 92 3.767 3.918 -8.870 1.00 1.41 C ATOM 1517 NZ LYS A 92 4.466 5.193 -9.193 1.00 2.14 N ATOM 0 H LYS A 92 1.595 2.430 -4.549 1.00 0.34 H new ATOM 0 HA LYS A 92 2.249 0.190 -6.209 1.00 0.34 H new ATOM 0 HB2 LYS A 92 3.948 2.340 -4.902 1.00 0.34 H new ATOM 0 HB3 LYS A 92 4.571 1.173 -6.051 1.00 0.34 H new ATOM 0 HG2 LYS A 92 2.711 1.879 -7.665 1.00 0.68 H new ATOM 0 HG3 LYS A 92 2.282 3.148 -6.535 1.00 0.68 H new ATOM 0 HD2 LYS A 92 4.384 4.281 -6.826 1.00 1.08 H new ATOM 0 HD3 LYS A 92 5.139 2.878 -7.556 1.00 1.08 H new ATOM 0 HE2 LYS A 92 4.000 3.163 -9.621 1.00 1.41 H new ATOM 0 HE3 LYS A 92 2.688 4.068 -8.892 1.00 1.41 H new ATOM 0 HZ1 LYS A 92 4.170 5.522 -10.134 1.00 2.14 H new ATOM 0 HZ2 LYS A 92 4.223 5.912 -8.482 1.00 2.14 H new ATOM 0 HZ3 LYS A 92 5.494 5.036 -9.189 1.00 2.14 H new ATOM 1531 N VAL A 93 3.233 0.025 -3.082 1.00 0.29 N ATOM 1532 CA VAL A 93 3.710 -0.966 -2.084 1.00 0.28 C ATOM 1533 C VAL A 93 2.741 -2.151 -2.101 1.00 0.29 C ATOM 1534 O VAL A 93 3.131 -3.297 -2.001 1.00 0.29 O ATOM 1535 CB VAL A 93 3.703 -0.323 -0.696 1.00 0.28 C ATOM 1536 CG1 VAL A 93 3.989 -1.385 0.367 1.00 0.29 C ATOM 1537 CG2 VAL A 93 4.766 0.775 -0.633 1.00 0.28 C ATOM 0 H VAL A 93 3.004 0.948 -2.712 1.00 0.29 H new ATOM 0 HA VAL A 93 4.721 -1.297 -2.321 1.00 0.28 H new ATOM 0 HB VAL A 93 2.723 0.116 -0.507 1.00 0.28 H new ATOM 0 HG11 VAL A 93 3.983 -0.923 1.354 1.00 0.29 H new ATOM 0 HG12 VAL A 93 3.222 -2.159 0.324 1.00 0.29 H new ATOM 0 HG13 VAL A 93 4.966 -1.832 0.181 1.00 0.29 H new ATOM 0 HG21 VAL A 93 4.759 1.232 0.357 1.00 0.28 H new ATOM 0 HG22 VAL A 93 5.748 0.343 -0.826 1.00 0.28 H new ATOM 0 HG23 VAL A 93 4.550 1.534 -1.384 1.00 0.28 H new ATOM 1547 N ASP A 94 1.472 -1.865 -2.211 1.00 0.30 N ATOM 1548 CA ASP A 94 0.443 -2.944 -2.220 1.00 0.32 C ATOM 1549 C ASP A 94 0.664 -3.882 -3.417 1.00 0.33 C ATOM 1550 O ASP A 94 0.655 -5.089 -3.275 1.00 0.35 O ATOM 1551 CB ASP A 94 -0.950 -2.285 -2.302 1.00 0.35 C ATOM 1552 CG ASP A 94 -1.948 -2.958 -1.349 1.00 1.26 C ATOM 1553 OD1 ASP A 94 -1.672 -4.057 -0.899 1.00 2.03 O ATOM 1554 OD2 ASP A 94 -2.975 -2.355 -1.086 1.00 1.96 O ATOM 0 H ASP A 94 1.100 -0.919 -2.296 1.00 0.30 H new ATOM 0 HA ASP A 94 0.519 -3.539 -1.310 1.00 0.32 H new ATOM 0 HB2 ASP A 94 -0.868 -1.226 -2.056 1.00 0.35 H new ATOM 0 HB3 ASP A 94 -1.323 -2.347 -3.324 1.00 0.35 H new ATOM 1559 N PHE A 95 0.848 -3.346 -4.595 1.00 0.34 N ATOM 1560 CA PHE A 95 1.050 -4.226 -5.783 1.00 0.36 C ATOM 1561 C PHE A 95 2.370 -4.987 -5.650 1.00 0.34 C ATOM 1562 O PHE A 95 2.455 -6.153 -5.980 1.00 0.35 O ATOM 1563 CB PHE A 95 1.083 -3.384 -7.061 1.00 0.39 C ATOM 1564 CG PHE A 95 -0.300 -2.853 -7.360 1.00 0.43 C ATOM 1565 CD1 PHE A 95 -1.311 -3.732 -7.787 1.00 0.47 C ATOM 1566 CD2 PHE A 95 -0.576 -1.482 -7.218 1.00 0.43 C ATOM 1567 CE1 PHE A 95 -2.597 -3.241 -8.071 1.00 0.51 C ATOM 1568 CE2 PHE A 95 -1.862 -0.990 -7.502 1.00 0.47 C ATOM 1569 CZ PHE A 95 -2.872 -1.870 -7.928 1.00 0.51 C ATOM 0 H PHE A 95 0.867 -2.344 -4.785 1.00 0.34 H new ATOM 0 HA PHE A 95 0.223 -4.935 -5.836 1.00 0.36 H new ATOM 0 HB2 PHE A 95 1.783 -2.557 -6.944 1.00 0.39 H new ATOM 0 HB3 PHE A 95 1.439 -3.987 -7.896 1.00 0.39 H new ATOM 0 HD1 PHE A 95 -1.099 -4.785 -7.897 1.00 0.47 H new ATOM 0 HD2 PHE A 95 0.200 -0.806 -6.891 1.00 0.43 H new ATOM 0 HE1 PHE A 95 -3.373 -3.917 -8.399 1.00 0.51 H new ATOM 0 HE2 PHE A 95 -2.074 0.063 -7.393 1.00 0.47 H new ATOM 0 HZ PHE A 95 -3.860 -1.492 -8.146 1.00 0.51 H new ATOM 1579 N LEU A 96 3.400 -4.346 -5.171 1.00 0.33 N ATOM 1580 CA LEU A 96 4.699 -5.057 -5.025 1.00 0.32 C ATOM 1581 C LEU A 96 4.563 -6.111 -3.932 1.00 0.31 C ATOM 1582 O LEU A 96 5.068 -7.210 -4.043 1.00 0.32 O ATOM 1583 CB LEU A 96 5.783 -4.061 -4.616 1.00 0.32 C ATOM 1584 CG LEU A 96 5.982 -3.015 -5.723 1.00 0.33 C ATOM 1585 CD1 LEU A 96 6.927 -1.898 -5.234 1.00 0.35 C ATOM 1586 CD2 LEU A 96 6.568 -3.684 -6.982 1.00 0.36 C ATOM 0 H LEU A 96 3.399 -3.369 -4.877 1.00 0.33 H new ATOM 0 HA LEU A 96 4.969 -5.525 -5.972 1.00 0.32 H new ATOM 0 HB2 LEU A 96 5.503 -3.568 -3.685 1.00 0.32 H new ATOM 0 HB3 LEU A 96 6.719 -4.587 -4.429 1.00 0.32 H new ATOM 0 HG LEU A 96 5.015 -2.577 -5.971 1.00 0.33 H new ATOM 0 HD11 LEU A 96 7.061 -1.162 -6.027 1.00 0.35 H new ATOM 0 HD12 LEU A 96 6.495 -1.414 -4.358 1.00 0.35 H new ATOM 0 HD13 LEU A 96 7.893 -2.328 -4.971 1.00 0.35 H new ATOM 0 HD21 LEU A 96 6.706 -2.935 -7.762 1.00 0.36 H new ATOM 0 HD22 LEU A 96 7.530 -4.136 -6.740 1.00 0.36 H new ATOM 0 HD23 LEU A 96 5.884 -4.455 -7.336 1.00 0.36 H new ATOM 1598 N GLU A 97 3.880 -5.779 -2.873 1.00 0.31 N ATOM 1599 CA GLU A 97 3.707 -6.756 -1.767 1.00 0.32 C ATOM 1600 C GLU A 97 2.946 -7.971 -2.295 1.00 0.34 C ATOM 1601 O GLU A 97 3.328 -9.104 -2.080 1.00 0.36 O ATOM 1602 CB GLU A 97 2.906 -6.098 -0.642 1.00 0.34 C ATOM 1603 CG GLU A 97 3.017 -6.939 0.629 1.00 0.95 C ATOM 1604 CD GLU A 97 2.213 -6.274 1.748 1.00 1.22 C ATOM 1605 OE1 GLU A 97 1.786 -5.148 1.554 1.00 1.69 O ATOM 1606 OE2 GLU A 97 2.044 -6.899 2.782 1.00 1.86 O ATOM 0 H GLU A 97 3.435 -4.873 -2.727 1.00 0.31 H new ATOM 0 HA GLU A 97 4.679 -7.070 -1.386 1.00 0.32 H new ATOM 0 HB2 GLU A 97 3.280 -5.091 -0.457 1.00 0.34 H new ATOM 0 HB3 GLU A 97 1.861 -6.001 -0.935 1.00 0.34 H new ATOM 0 HG2 GLU A 97 2.643 -7.946 0.446 1.00 0.95 H new ATOM 0 HG3 GLU A 97 4.062 -7.036 0.924 1.00 0.95 H new ATOM 1613 N GLU A 98 1.867 -7.734 -2.988 1.00 0.35 N ATOM 1614 CA GLU A 98 1.058 -8.856 -3.536 1.00 0.37 C ATOM 1615 C GLU A 98 1.920 -9.682 -4.496 1.00 0.36 C ATOM 1616 O GLU A 98 1.852 -10.895 -4.526 1.00 0.38 O ATOM 1617 CB GLU A 98 -0.147 -8.268 -4.279 1.00 0.41 C ATOM 1618 CG GLU A 98 -1.252 -9.317 -4.412 1.00 1.18 C ATOM 1619 CD GLU A 98 -2.463 -8.684 -5.101 1.00 1.32 C ATOM 1620 OE1 GLU A 98 -2.475 -7.471 -5.233 1.00 1.77 O ATOM 1621 OE2 GLU A 98 -3.362 -9.419 -5.473 1.00 1.85 O ATOM 0 H GLU A 98 1.509 -6.803 -3.199 1.00 0.35 H new ATOM 0 HA GLU A 98 0.711 -9.504 -2.731 1.00 0.37 H new ATOM 0 HB2 GLU A 98 -0.525 -7.398 -3.742 1.00 0.41 H new ATOM 0 HB3 GLU A 98 0.159 -7.925 -5.267 1.00 0.41 H new ATOM 0 HG2 GLU A 98 -0.894 -10.169 -4.989 1.00 1.18 H new ATOM 0 HG3 GLU A 98 -1.533 -9.694 -3.429 1.00 1.18 H new ATOM 1628 N ASN A 99 2.726 -9.026 -5.285 1.00 0.35 N ATOM 1629 CA ASN A 99 3.590 -9.758 -6.253 1.00 0.36 C ATOM 1630 C ASN A 99 4.617 -10.594 -5.478 1.00 0.34 C ATOM 1631 O ASN A 99 4.855 -11.745 -5.787 1.00 0.35 O ATOM 1632 CB ASN A 99 4.297 -8.729 -7.156 1.00 0.37 C ATOM 1633 CG ASN A 99 4.262 -9.176 -8.622 1.00 1.26 C ATOM 1634 OD1 ASN A 99 4.584 -10.305 -8.936 1.00 2.16 O ATOM 1635 ND2 ASN A 99 3.879 -8.326 -9.536 1.00 1.83 N ATOM 0 H ASN A 99 2.823 -8.011 -5.301 1.00 0.35 H new ATOM 0 HA ASN A 99 2.993 -10.427 -6.873 1.00 0.36 H new ATOM 0 HB2 ASN A 99 3.813 -7.757 -7.056 1.00 0.37 H new ATOM 0 HB3 ASN A 99 5.331 -8.605 -6.834 1.00 0.37 H new ATOM 0 HD21 ASN A 99 3.850 -8.609 -10.515 1.00 1.83 H new ATOM 0 HD22 ASN A 99 3.609 -7.379 -9.271 1.00 1.83 H new ATOM 1642 N ILE A 100 5.227 -10.024 -4.474 1.00 0.32 N ATOM 1643 CA ILE A 100 6.233 -10.791 -3.691 1.00 0.30 C ATOM 1644 C ILE A 100 5.555 -12.009 -3.059 1.00 0.32 C ATOM 1645 O ILE A 100 6.098 -13.095 -3.053 1.00 0.33 O ATOM 1646 CB ILE A 100 6.838 -9.899 -2.595 1.00 0.29 C ATOM 1647 CG1 ILE A 100 7.691 -8.803 -3.262 1.00 0.29 C ATOM 1648 CG2 ILE A 100 7.707 -10.753 -1.639 1.00 0.29 C ATOM 1649 CD1 ILE A 100 7.943 -7.649 -2.282 1.00 0.30 C ATOM 0 H ILE A 100 5.072 -9.065 -4.164 1.00 0.32 H new ATOM 0 HA ILE A 100 7.034 -11.122 -4.353 1.00 0.30 H new ATOM 0 HB ILE A 100 6.042 -9.435 -2.012 1.00 0.29 H new ATOM 0 HG12 ILE A 100 8.642 -9.223 -3.591 1.00 0.29 H new ATOM 0 HG13 ILE A 100 7.183 -8.429 -4.151 1.00 0.29 H new ATOM 0 HG21 ILE A 100 8.132 -10.114 -0.865 1.00 0.29 H new ATOM 0 HG22 ILE A 100 7.089 -11.522 -1.175 1.00 0.29 H new ATOM 0 HG23 ILE A 100 8.512 -11.225 -2.203 1.00 0.29 H new ATOM 0 HD11 ILE A 100 8.547 -6.883 -2.769 1.00 0.30 H new ATOM 0 HD12 ILE A 100 6.990 -7.218 -1.974 1.00 0.30 H new ATOM 0 HD13 ILE A 100 8.471 -8.025 -1.406 1.00 0.30 H new ATOM 1661 N THR A 101 4.373 -11.846 -2.530 1.00 0.33 N ATOM 1662 CA THR A 101 3.681 -13.009 -1.906 1.00 0.36 C ATOM 1663 C THR A 101 3.426 -14.085 -2.965 1.00 0.38 C ATOM 1664 O THR A 101 3.573 -15.263 -2.708 1.00 0.40 O ATOM 1665 CB THR A 101 2.349 -12.556 -1.297 1.00 0.39 C ATOM 1666 OG1 THR A 101 1.606 -11.838 -2.272 1.00 0.40 O ATOM 1667 CG2 THR A 101 2.602 -11.656 -0.082 1.00 0.39 C ATOM 0 H THR A 101 3.860 -10.965 -2.503 1.00 0.33 H new ATOM 0 HA THR A 101 4.312 -13.421 -1.118 1.00 0.36 H new ATOM 0 HB THR A 101 1.787 -13.433 -0.977 1.00 0.39 H new ATOM 0 HG1 THR A 101 2.167 -11.680 -3.060 1.00 0.40 H new ATOM 0 HG21 THR A 101 1.649 -11.341 0.342 1.00 0.39 H new ATOM 0 HG22 THR A 101 3.168 -12.208 0.668 1.00 0.39 H new ATOM 0 HG23 THR A 101 3.170 -10.778 -0.391 1.00 0.39 H new ATOM 1675 N ALA A 102 3.050 -13.697 -4.153 1.00 0.39 N ATOM 1676 CA ALA A 102 2.796 -14.712 -5.215 1.00 0.42 C ATOM 1677 C ALA A 102 4.096 -15.471 -5.504 1.00 0.41 C ATOM 1678 O ALA A 102 4.127 -16.685 -5.526 1.00 0.43 O ATOM 1679 CB ALA A 102 2.286 -14.003 -6.486 1.00 0.44 C ATOM 0 H ALA A 102 2.908 -12.727 -4.433 1.00 0.39 H new ATOM 0 HA ALA A 102 2.039 -15.423 -4.884 1.00 0.42 H new ATOM 0 HB1 ALA A 102 2.099 -14.742 -7.265 1.00 0.44 H new ATOM 0 HB2 ALA A 102 1.361 -13.472 -6.260 1.00 0.44 H new ATOM 0 HB3 ALA A 102 3.037 -13.293 -6.832 1.00 0.44 H new ATOM 1685 N LEU A 103 5.169 -14.762 -5.727 1.00 0.38 N ATOM 1686 CA LEU A 103 6.461 -15.442 -6.015 1.00 0.37 C ATOM 1687 C LEU A 103 6.851 -16.320 -4.824 1.00 0.35 C ATOM 1688 O LEU A 103 7.295 -17.439 -4.987 1.00 0.37 O ATOM 1689 CB LEU A 103 7.547 -14.389 -6.241 1.00 0.35 C ATOM 1690 CG LEU A 103 7.272 -13.600 -7.527 1.00 0.36 C ATOM 1691 CD1 LEU A 103 8.292 -12.464 -7.649 1.00 0.38 C ATOM 1692 CD2 LEU A 103 7.372 -14.520 -8.756 1.00 0.44 C ATOM 0 H LEU A 103 5.206 -13.743 -5.722 1.00 0.38 H new ATOM 0 HA LEU A 103 6.356 -16.060 -6.906 1.00 0.37 H new ATOM 0 HB2 LEU A 103 7.584 -13.708 -5.391 1.00 0.35 H new ATOM 0 HB3 LEU A 103 8.522 -14.872 -6.305 1.00 0.35 H new ATOM 0 HG LEU A 103 6.263 -13.189 -7.483 1.00 0.36 H new ATOM 0 HD11 LEU A 103 8.101 -11.900 -8.562 1.00 0.38 H new ATOM 0 HD12 LEU A 103 8.204 -11.802 -6.788 1.00 0.38 H new ATOM 0 HD13 LEU A 103 9.298 -12.881 -7.684 1.00 0.38 H new ATOM 0 HD21 LEU A 103 7.174 -13.943 -9.659 1.00 0.44 H new ATOM 0 HD22 LEU A 103 8.373 -14.947 -8.810 1.00 0.44 H new ATOM 0 HD23 LEU A 103 6.640 -15.323 -8.670 1.00 0.44 H new ATOM 1704 N LEU A 104 6.688 -15.826 -3.626 1.00 0.33 N ATOM 1705 CA LEU A 104 7.052 -16.648 -2.438 1.00 0.33 C ATOM 1706 C LEU A 104 6.204 -17.919 -2.419 1.00 0.38 C ATOM 1707 O LEU A 104 6.699 -19.003 -2.184 1.00 0.39 O ATOM 1708 CB LEU A 104 6.804 -15.856 -1.146 1.00 0.33 C ATOM 1709 CG LEU A 104 7.823 -14.712 -1.008 1.00 0.29 C ATOM 1710 CD1 LEU A 104 7.382 -13.790 0.135 1.00 0.31 C ATOM 1711 CD2 LEU A 104 9.233 -15.272 -0.700 1.00 0.27 C ATOM 0 H LEU A 104 6.322 -14.897 -3.420 1.00 0.33 H new ATOM 0 HA LEU A 104 8.109 -16.907 -2.500 1.00 0.33 H new ATOM 0 HB2 LEU A 104 5.792 -15.450 -1.150 1.00 0.33 H new ATOM 0 HB3 LEU A 104 6.877 -16.521 -0.286 1.00 0.33 H new ATOM 0 HG LEU A 104 7.866 -14.159 -1.946 1.00 0.29 H new ATOM 0 HD11 LEU A 104 8.098 -12.975 0.242 1.00 0.31 H new ATOM 0 HD12 LEU A 104 6.397 -13.381 -0.087 1.00 0.31 H new ATOM 0 HD13 LEU A 104 7.338 -14.358 1.064 1.00 0.31 H new ATOM 0 HD21 LEU A 104 9.939 -14.447 -0.606 1.00 0.27 H new ATOM 0 HD22 LEU A 104 9.205 -15.834 0.233 1.00 0.27 H new ATOM 0 HD23 LEU A 104 9.548 -15.929 -1.510 1.00 0.27 H new ATOM 1723 N GLU A 105 4.927 -17.798 -2.658 1.00 0.41 N ATOM 1724 CA GLU A 105 4.059 -19.007 -2.646 1.00 0.45 C ATOM 1725 C GLU A 105 4.543 -19.996 -3.707 1.00 0.46 C ATOM 1726 O GLU A 105 4.631 -21.184 -3.467 1.00 0.48 O ATOM 1727 CB GLU A 105 2.611 -18.603 -2.927 1.00 0.49 C ATOM 1728 CG GLU A 105 1.728 -19.851 -2.913 1.00 0.54 C ATOM 1729 CD GLU A 105 0.256 -19.438 -2.865 1.00 1.15 C ATOM 1730 OE1 GLU A 105 -0.004 -18.246 -2.837 1.00 1.82 O ATOM 1731 OE2 GLU A 105 -0.586 -20.320 -2.849 1.00 1.84 O ATOM 0 H GLU A 105 4.450 -16.919 -2.860 1.00 0.41 H new ATOM 0 HA GLU A 105 4.111 -19.482 -1.666 1.00 0.45 H new ATOM 0 HB2 GLU A 105 2.267 -17.892 -2.176 1.00 0.49 H new ATOM 0 HB3 GLU A 105 2.541 -18.105 -3.894 1.00 0.49 H new ATOM 0 HG2 GLU A 105 1.918 -20.453 -3.801 1.00 0.54 H new ATOM 0 HG3 GLU A 105 1.971 -20.471 -2.050 1.00 0.54 H new ATOM 1738 N GLU A 106 4.867 -19.518 -4.878 1.00 0.46 N ATOM 1739 CA GLU A 106 5.352 -20.439 -5.943 1.00 0.48 C ATOM 1740 C GLU A 106 6.691 -21.049 -5.512 1.00 0.44 C ATOM 1741 O GLU A 106 6.929 -22.227 -5.688 1.00 0.46 O ATOM 1742 CB GLU A 106 5.520 -19.652 -7.262 1.00 0.49 C ATOM 1743 CG GLU A 106 4.414 -20.017 -8.259 1.00 1.17 C ATOM 1744 CD GLU A 106 4.712 -19.365 -9.610 1.00 1.67 C ATOM 1745 OE1 GLU A 106 5.246 -18.269 -9.610 1.00 2.26 O ATOM 1746 OE2 GLU A 106 4.410 -19.977 -10.621 1.00 2.27 O ATOM 0 H GLU A 106 4.817 -18.534 -5.142 1.00 0.46 H new ATOM 0 HA GLU A 106 4.631 -21.241 -6.100 1.00 0.48 H new ATOM 0 HB2 GLU A 106 5.493 -18.582 -7.058 1.00 0.49 H new ATOM 0 HB3 GLU A 106 6.495 -19.869 -7.698 1.00 0.49 H new ATOM 0 HG2 GLU A 106 4.353 -21.100 -8.371 1.00 1.17 H new ATOM 0 HG3 GLU A 106 3.447 -19.680 -7.886 1.00 1.17 H new ATOM 1753 N ALA A 107 7.566 -20.260 -4.954 1.00 0.40 N ATOM 1754 CA ALA A 107 8.882 -20.807 -4.524 1.00 0.38 C ATOM 1755 C ALA A 107 8.664 -21.908 -3.485 1.00 0.40 C ATOM 1756 O ALA A 107 9.313 -22.935 -3.513 1.00 0.41 O ATOM 1757 CB ALA A 107 9.731 -19.688 -3.916 1.00 0.34 C ATOM 0 H ALA A 107 7.428 -19.265 -4.778 1.00 0.40 H new ATOM 0 HA ALA A 107 9.400 -21.223 -5.388 1.00 0.38 H new ATOM 0 HB1 ALA A 107 10.694 -20.091 -3.602 1.00 0.34 H new ATOM 0 HB2 ALA A 107 9.890 -18.907 -4.659 1.00 0.34 H new ATOM 0 HB3 ALA A 107 9.215 -19.268 -3.053 1.00 0.34 H new ATOM 1763 N GLN A 108 7.757 -21.707 -2.567 1.00 0.42 N ATOM 1764 CA GLN A 108 7.512 -22.750 -1.531 1.00 0.46 C ATOM 1765 C GLN A 108 6.994 -24.026 -2.194 1.00 0.51 C ATOM 1766 O GLN A 108 7.477 -25.111 -1.938 1.00 0.53 O ATOM 1767 CB GLN A 108 6.473 -22.251 -0.530 1.00 0.50 C ATOM 1768 CG GLN A 108 7.081 -21.136 0.317 1.00 0.48 C ATOM 1769 CD GLN A 108 6.050 -20.655 1.338 1.00 0.98 C ATOM 1770 OE1 GLN A 108 4.862 -20.805 1.136 1.00 1.69 O ATOM 1771 NE2 GLN A 108 6.460 -20.085 2.437 1.00 1.58 N ATOM 0 H GLN A 108 7.178 -20.871 -2.490 1.00 0.42 H new ATOM 0 HA GLN A 108 8.448 -22.960 -1.013 1.00 0.46 H new ATOM 0 HB2 GLN A 108 5.592 -21.884 -1.056 1.00 0.50 H new ATOM 0 HB3 GLN A 108 6.144 -23.071 0.109 1.00 0.50 H new ATOM 0 HG2 GLN A 108 7.974 -21.498 0.828 1.00 0.48 H new ATOM 0 HG3 GLN A 108 7.392 -20.308 -0.320 1.00 0.48 H new ATOM 0 HE21 GLN A 108 7.458 -19.960 2.605 1.00 1.58 H new ATOM 0 HE22 GLN A 108 5.782 -19.764 3.129 1.00 1.58 H new ATOM 1780 N ILE A 109 6.017 -23.905 -3.050 1.00 0.53 N ATOM 1781 CA ILE A 109 5.479 -25.115 -3.727 1.00 0.58 C ATOM 1782 C ILE A 109 6.608 -25.771 -4.517 1.00 0.56 C ATOM 1783 O ILE A 109 6.789 -26.972 -4.493 1.00 0.58 O ATOM 1784 CB ILE A 109 4.360 -24.713 -4.694 1.00 0.61 C ATOM 1785 CG1 ILE A 109 3.171 -24.148 -3.903 1.00 0.64 C ATOM 1786 CG2 ILE A 109 3.911 -25.937 -5.501 1.00 0.67 C ATOM 1787 CD1 ILE A 109 2.128 -23.528 -4.854 1.00 0.67 C ATOM 0 H ILE A 109 5.571 -23.025 -3.308 1.00 0.53 H new ATOM 0 HA ILE A 109 5.081 -25.807 -2.984 1.00 0.58 H new ATOM 0 HB ILE A 109 4.731 -23.949 -5.377 1.00 0.61 H new ATOM 0 HG12 ILE A 109 2.709 -24.941 -3.316 1.00 0.64 H new ATOM 0 HG13 ILE A 109 3.522 -23.394 -3.199 1.00 0.64 H new ATOM 0 HG21 ILE A 109 3.115 -25.648 -6.188 1.00 0.67 H new ATOM 0 HG22 ILE A 109 4.755 -26.329 -6.068 1.00 0.67 H new ATOM 0 HG23 ILE A 109 3.543 -26.706 -4.822 1.00 0.67 H new ATOM 0 HD11 ILE A 109 1.294 -23.134 -4.273 1.00 0.67 H new ATOM 0 HD12 ILE A 109 2.589 -22.720 -5.422 1.00 0.67 H new ATOM 0 HD13 ILE A 109 1.763 -24.291 -5.541 1.00 0.67 H new ATOM 1799 N GLN A 110 7.357 -24.979 -5.232 1.00 0.53 N ATOM 1800 CA GLN A 110 8.472 -25.528 -6.050 1.00 0.52 C ATOM 1801 C GLN A 110 9.604 -26.023 -5.140 1.00 0.48 C ATOM 1802 O GLN A 110 10.198 -27.055 -5.382 1.00 0.50 O ATOM 1803 CB GLN A 110 8.975 -24.410 -6.983 1.00 0.51 C ATOM 1804 CG GLN A 110 9.271 -24.954 -8.384 1.00 1.18 C ATOM 1805 CD GLN A 110 9.532 -23.783 -9.330 1.00 1.47 C ATOM 1806 OE1 GLN A 110 9.407 -22.637 -8.946 1.00 2.12 O ATOM 1807 NE2 GLN A 110 9.882 -24.024 -10.563 1.00 1.93 N ATOM 0 H GLN A 110 7.243 -23.967 -5.285 1.00 0.53 H new ATOM 0 HA GLN A 110 8.126 -26.376 -6.640 1.00 0.52 H new ATOM 0 HB2 GLN A 110 8.226 -23.621 -7.047 1.00 0.51 H new ATOM 0 HB3 GLN A 110 9.876 -23.961 -6.565 1.00 0.51 H new ATOM 0 HG2 GLN A 110 10.137 -25.615 -8.356 1.00 1.18 H new ATOM 0 HG3 GLN A 110 8.430 -25.547 -8.743 1.00 1.18 H new ATOM 0 HE21 GLN A 110 9.987 -24.986 -10.885 1.00 1.93 H new ATOM 0 HE22 GLN A 110 10.051 -23.250 -11.206 1.00 1.93 H new ATOM 1816 N GLN A 111 9.910 -25.297 -4.100 1.00 0.45 N ATOM 1817 CA GLN A 111 11.006 -25.732 -3.188 1.00 0.43 C ATOM 1818 C GLN A 111 10.651 -27.099 -2.607 1.00 0.49 C ATOM 1819 O GLN A 111 11.464 -28.001 -2.558 1.00 0.49 O ATOM 1820 CB GLN A 111 11.153 -24.715 -2.052 1.00 0.42 C ATOM 1821 CG GLN A 111 12.368 -25.065 -1.189 1.00 0.42 C ATOM 1822 CD GLN A 111 13.648 -24.829 -1.993 1.00 0.37 C ATOM 1823 OE1 GLN A 111 13.752 -23.862 -2.720 1.00 0.37 O ATOM 1824 NE2 GLN A 111 14.633 -25.678 -1.890 1.00 0.40 N ATOM 0 H GLN A 111 9.450 -24.424 -3.843 1.00 0.45 H new ATOM 0 HA GLN A 111 11.945 -25.797 -3.738 1.00 0.43 H new ATOM 0 HB2 GLN A 111 11.266 -23.712 -2.463 1.00 0.42 H new ATOM 0 HB3 GLN A 111 10.251 -24.709 -1.440 1.00 0.42 H new ATOM 0 HG2 GLN A 111 12.375 -24.454 -0.286 1.00 0.42 H new ATOM 0 HG3 GLN A 111 12.313 -26.106 -0.869 1.00 0.42 H new ATOM 0 HE21 GLN A 111 14.545 -26.490 -1.279 1.00 0.40 H new ATOM 0 HE22 GLN A 111 15.492 -25.530 -2.420 1.00 0.40 H new ATOM 1833 N GLU A 112 9.435 -27.251 -2.170 1.00 0.53 N ATOM 1834 CA GLU A 112 9.002 -28.550 -1.591 1.00 0.60 C ATOM 1835 C GLU A 112 9.088 -29.627 -2.679 1.00 0.62 C ATOM 1836 O GLU A 112 9.555 -30.726 -2.450 1.00 0.64 O ATOM 1837 CB GLU A 112 7.552 -28.391 -1.098 1.00 0.66 C ATOM 1838 CG GLU A 112 7.306 -29.225 0.162 1.00 1.29 C ATOM 1839 CD GLU A 112 5.902 -28.926 0.691 1.00 1.72 C ATOM 1840 OE1 GLU A 112 5.583 -27.757 0.835 1.00 2.27 O ATOM 1841 OE2 GLU A 112 5.168 -29.868 0.938 1.00 2.24 O ATOM 0 H GLU A 112 8.717 -26.526 -2.189 1.00 0.53 H new ATOM 0 HA GLU A 112 9.639 -28.844 -0.757 1.00 0.60 H new ATOM 0 HB2 GLU A 112 7.348 -27.341 -0.889 1.00 0.66 H new ATOM 0 HB3 GLU A 112 6.861 -28.699 -1.883 1.00 0.66 H new ATOM 0 HG2 GLU A 112 7.405 -30.287 -0.064 1.00 1.29 H new ATOM 0 HG3 GLU A 112 8.052 -28.990 0.921 1.00 1.29 H new ATOM 1848 N LYS A 113 8.638 -29.309 -3.862 1.00 0.62 N ATOM 1849 CA LYS A 113 8.682 -30.295 -4.979 1.00 0.65 C ATOM 1850 C LYS A 113 10.130 -30.689 -5.279 1.00 0.60 C ATOM 1851 O LYS A 113 10.435 -31.847 -5.488 1.00 0.63 O ATOM 1852 CB LYS A 113 8.079 -29.660 -6.236 1.00 0.68 C ATOM 1853 CG LYS A 113 6.544 -29.467 -6.091 1.00 0.75 C ATOM 1854 CD LYS A 113 5.766 -30.360 -7.086 1.00 1.27 C ATOM 1855 CE LYS A 113 4.364 -29.792 -7.387 1.00 1.52 C ATOM 1856 NZ LYS A 113 3.347 -30.494 -6.555 1.00 2.10 N ATOM 0 H LYS A 113 8.239 -28.402 -4.104 1.00 0.62 H new ATOM 0 HA LYS A 113 8.116 -31.181 -4.690 1.00 0.65 H new ATOM 0 HB2 LYS A 113 8.553 -28.696 -6.422 1.00 0.68 H new ATOM 0 HB3 LYS A 113 8.288 -30.290 -7.100 1.00 0.68 H new ATOM 0 HG2 LYS A 113 6.241 -29.706 -5.072 1.00 0.75 H new ATOM 0 HG3 LYS A 113 6.289 -28.421 -6.263 1.00 0.75 H new ATOM 0 HD2 LYS A 113 6.330 -30.447 -8.015 1.00 1.27 H new ATOM 0 HD3 LYS A 113 5.671 -31.365 -6.675 1.00 1.27 H new ATOM 0 HE2 LYS A 113 4.342 -28.722 -7.179 1.00 1.52 H new ATOM 0 HE3 LYS A 113 4.131 -29.916 -8.445 1.00 1.52 H new ATOM 0 HZ1 LYS A 113 2.404 -30.108 -6.761 1.00 2.10 H new ATOM 0 HZ2 LYS A 113 3.361 -31.511 -6.774 1.00 2.10 H new ATOM 0 HZ3 LYS A 113 3.566 -30.354 -5.548 1.00 2.10 H new ATOM 1870 N ASN A 114 11.025 -29.739 -5.318 1.00 0.53 N ATOM 1871 CA ASN A 114 12.444 -30.079 -5.622 1.00 0.48 C ATOM 1872 C ASN A 114 12.953 -31.047 -4.560 1.00 0.49 C ATOM 1873 O ASN A 114 13.626 -32.017 -4.849 1.00 0.50 O ATOM 1874 CB ASN A 114 13.305 -28.813 -5.574 1.00 0.44 C ATOM 1875 CG ASN A 114 12.980 -27.892 -6.753 1.00 0.46 C ATOM 1876 OD1 ASN A 114 12.147 -28.288 -7.675 1.00 1.19 O flip ATOM 1877 ND2 ASN A 114 13.490 -26.792 -6.831 1.00 1.18 N flip ATOM 0 H ASN A 114 10.837 -28.750 -5.154 1.00 0.53 H new ATOM 0 HA ASN A 114 12.504 -30.526 -6.614 1.00 0.48 H new ATOM 0 HB2 ASN A 114 13.133 -28.285 -4.636 1.00 0.44 H new ATOM 0 HB3 ASN A 114 14.360 -29.084 -5.598 1.00 0.44 H new ATOM 0 HD21 ASN A 114 14.142 -26.480 -6.111 1.00 1.18 H new ATOM 0 HD22 ASN A 114 13.266 -26.181 -7.616 1.00 1.18 H new ATOM 1884 N MET A 115 12.631 -30.781 -3.327 1.00 0.50 N ATOM 1885 CA MET A 115 13.085 -31.668 -2.225 1.00 0.53 C ATOM 1886 C MET A 115 12.348 -33.004 -2.312 1.00 0.60 C ATOM 1887 O MET A 115 12.925 -34.059 -2.135 1.00 0.63 O ATOM 1888 CB MET A 115 12.762 -30.980 -0.900 1.00 0.56 C ATOM 1889 CG MET A 115 13.371 -31.766 0.258 1.00 0.71 C ATOM 1890 SD MET A 115 12.972 -30.927 1.812 1.00 0.94 S ATOM 1891 CE MET A 115 13.534 -32.222 2.945 1.00 1.45 C ATOM 0 H MET A 115 12.069 -29.982 -3.034 1.00 0.50 H new ATOM 0 HA MET A 115 14.157 -31.854 -2.299 1.00 0.53 H new ATOM 0 HB2 MET A 115 13.152 -29.962 -0.905 1.00 0.56 H new ATOM 0 HB3 MET A 115 11.682 -30.907 -0.773 1.00 0.56 H new ATOM 0 HG2 MET A 115 12.981 -32.784 0.269 1.00 0.71 H new ATOM 0 HG3 MET A 115 14.452 -31.840 0.136 1.00 0.71 H new ATOM 0 HE1 MET A 115 13.374 -31.900 3.974 1.00 1.45 H new ATOM 0 HE2 MET A 115 12.971 -33.137 2.760 1.00 1.45 H new ATOM 0 HE3 MET A 115 14.596 -32.410 2.785 1.00 1.45 H new ATOM 1901 N TYR A 116 11.076 -32.963 -2.592 1.00 0.65 N ATOM 1902 CA TYR A 116 10.290 -34.221 -2.705 1.00 0.73 C ATOM 1903 C TYR A 116 10.878 -35.094 -3.817 1.00 0.71 C ATOM 1904 O TYR A 116 11.062 -36.286 -3.654 1.00 0.76 O ATOM 1905 CB TYR A 116 8.834 -33.866 -3.009 1.00 0.78 C ATOM 1906 CG TYR A 116 8.009 -35.122 -3.131 1.00 0.87 C ATOM 1907 CD1 TYR A 116 7.472 -35.732 -1.984 1.00 0.95 C ATOM 1908 CD2 TYR A 116 7.766 -35.672 -4.400 1.00 0.91 C ATOM 1909 CE1 TYR A 116 6.693 -36.896 -2.107 1.00 1.04 C ATOM 1910 CE2 TYR A 116 6.988 -36.833 -4.523 1.00 1.01 C ATOM 1911 CZ TYR A 116 6.451 -37.447 -3.378 1.00 1.07 C ATOM 1912 OH TYR A 116 5.690 -38.592 -3.502 1.00 1.18 O ATOM 0 H TYR A 116 10.544 -32.107 -2.748 1.00 0.65 H new ATOM 0 HA TYR A 116 10.334 -34.780 -1.770 1.00 0.73 H new ATOM 0 HB2 TYR A 116 8.433 -33.234 -2.217 1.00 0.78 H new ATOM 0 HB3 TYR A 116 8.777 -33.293 -3.934 1.00 0.78 H new ATOM 0 HD1 TYR A 116 7.658 -35.307 -1.009 1.00 0.95 H new ATOM 0 HD2 TYR A 116 8.178 -35.202 -5.281 1.00 0.91 H new ATOM 0 HE1 TYR A 116 6.281 -37.366 -1.226 1.00 1.04 H new ATOM 0 HE2 TYR A 116 6.801 -37.256 -5.499 1.00 1.01 H new ATOM 0 HH TYR A 116 5.421 -38.706 -4.437 1.00 1.18 H new ATOM 1922 N GLU A 117 11.186 -34.512 -4.945 1.00 0.67 N ATOM 1923 CA GLU A 117 11.772 -35.312 -6.057 1.00 0.68 C ATOM 1924 C GLU A 117 13.128 -35.869 -5.615 1.00 0.64 C ATOM 1925 O GLU A 117 13.484 -36.990 -5.917 1.00 0.68 O ATOM 1926 CB GLU A 117 11.953 -34.420 -7.287 1.00 0.65 C ATOM 1927 CG GLU A 117 10.582 -34.067 -7.868 1.00 0.72 C ATOM 1928 CD GLU A 117 10.760 -33.154 -9.083 1.00 0.73 C ATOM 1929 OE1 GLU A 117 11.889 -32.982 -9.510 1.00 1.29 O ATOM 1930 OE2 GLU A 117 9.762 -32.645 -9.568 1.00 1.28 O ATOM 0 H GLU A 117 11.057 -33.520 -5.143 1.00 0.67 H new ATOM 0 HA GLU A 117 11.106 -36.137 -6.309 1.00 0.68 H new ATOM 0 HB2 GLU A 117 12.489 -33.511 -7.014 1.00 0.65 H new ATOM 0 HB3 GLU A 117 12.556 -34.933 -8.036 1.00 0.65 H new ATOM 0 HG2 GLU A 117 10.053 -34.975 -8.157 1.00 0.72 H new ATOM 0 HG3 GLU A 117 9.973 -33.570 -7.113 1.00 0.72 H new ATOM 1937 N LEU A 118 13.897 -35.085 -4.913 1.00 0.58 N ATOM 1938 CA LEU A 118 15.235 -35.558 -4.458 1.00 0.55 C ATOM 1939 C LEU A 118 15.061 -36.796 -3.570 1.00 0.64 C ATOM 1940 O LEU A 118 15.810 -37.747 -3.665 1.00 0.66 O ATOM 1941 CB LEU A 118 15.914 -34.430 -3.673 1.00 0.51 C ATOM 1942 CG LEU A 118 17.307 -34.858 -3.181 1.00 0.51 C ATOM 1943 CD1 LEU A 118 18.238 -35.133 -4.390 1.00 0.53 C ATOM 1944 CD2 LEU A 118 17.873 -33.739 -2.282 1.00 0.53 C ATOM 0 H LEU A 118 13.656 -34.134 -4.634 1.00 0.58 H new ATOM 0 HA LEU A 118 15.854 -35.826 -5.314 1.00 0.55 H new ATOM 0 HB2 LEU A 118 16.004 -33.546 -4.305 1.00 0.51 H new ATOM 0 HB3 LEU A 118 15.294 -34.151 -2.821 1.00 0.51 H new ATOM 0 HG LEU A 118 17.238 -35.780 -2.604 1.00 0.51 H new ATOM 0 HD11 LEU A 118 19.222 -35.435 -4.030 1.00 0.53 H new ATOM 0 HD12 LEU A 118 17.815 -35.930 -5.001 1.00 0.53 H new ATOM 0 HD13 LEU A 118 18.333 -34.227 -4.989 1.00 0.53 H new ATOM 0 HD21 LEU A 118 18.862 -34.025 -1.923 1.00 0.53 H new ATOM 0 HD22 LEU A 118 17.949 -32.815 -2.855 1.00 0.53 H new ATOM 0 HD23 LEU A 118 17.209 -33.585 -1.431 1.00 0.53 H new ATOM 1956 N GLN A 119 14.080 -36.791 -2.710 1.00 0.70 N ATOM 1957 CA GLN A 119 13.856 -37.968 -1.819 1.00 0.81 C ATOM 1958 C GLN A 119 13.587 -39.206 -2.676 1.00 0.86 C ATOM 1959 O GLN A 119 14.043 -40.294 -2.381 1.00 0.92 O ATOM 1960 CB GLN A 119 12.643 -37.714 -0.925 1.00 0.88 C ATOM 1961 CG GLN A 119 12.973 -36.631 0.103 1.00 0.87 C ATOM 1962 CD GLN A 119 11.709 -36.282 0.890 1.00 0.95 C ATOM 1963 OE1 GLN A 119 10.615 -36.358 0.366 1.00 1.28 O ATOM 1964 NE2 GLN A 119 11.811 -35.904 2.134 1.00 1.46 N ATOM 0 H GLN A 119 13.422 -36.022 -2.585 1.00 0.70 H new ATOM 0 HA GLN A 119 14.741 -38.125 -1.202 1.00 0.81 H new ATOM 0 HB2 GLN A 119 11.792 -37.405 -1.531 1.00 0.88 H new ATOM 0 HB3 GLN A 119 12.355 -38.635 -0.417 1.00 0.88 H new ATOM 0 HG2 GLN A 119 13.752 -36.981 0.780 1.00 0.87 H new ATOM 0 HG3 GLN A 119 13.361 -35.744 -0.398 1.00 0.87 H new ATOM 0 HE21 GLN A 119 12.729 -35.840 2.574 1.00 1.46 H new ATOM 0 HE22 GLN A 119 10.973 -35.672 2.667 1.00 1.46 H new ATOM 1973 N LYS A 120 12.839 -39.044 -3.734 1.00 0.85 N ATOM 1974 CA LYS A 120 12.518 -40.203 -4.616 1.00 0.93 C ATOM 1975 C LYS A 120 13.801 -40.802 -5.175 1.00 0.90 C ATOM 1976 O LYS A 120 13.948 -42.005 -5.260 1.00 0.98 O ATOM 1977 CB LYS A 120 11.671 -39.711 -5.789 1.00 0.95 C ATOM 1978 CG LYS A 120 10.269 -39.314 -5.312 1.00 1.01 C ATOM 1979 CD LYS A 120 9.360 -40.550 -5.176 1.00 1.57 C ATOM 1980 CE LYS A 120 7.904 -40.120 -5.351 1.00 1.88 C ATOM 1981 NZ LYS A 120 6.988 -41.232 -4.980 1.00 2.44 N ATOM 0 H LYS A 120 12.435 -38.154 -4.027 1.00 0.85 H new ATOM 0 HA LYS A 120 11.981 -40.955 -4.037 1.00 0.93 H new ATOM 0 HB2 LYS A 120 12.156 -38.857 -6.262 1.00 0.95 H new ATOM 0 HB3 LYS A 120 11.596 -40.493 -6.544 1.00 0.95 H new ATOM 0 HG2 LYS A 120 10.339 -38.803 -4.352 1.00 1.01 H new ATOM 0 HG3 LYS A 120 9.827 -38.609 -6.017 1.00 1.01 H new ATOM 0 HD2 LYS A 120 9.625 -41.296 -5.925 1.00 1.57 H new ATOM 0 HD3 LYS A 120 9.500 -41.015 -4.200 1.00 1.57 H new ATOM 0 HE2 LYS A 120 7.698 -39.248 -4.730 1.00 1.88 H new ATOM 0 HE3 LYS A 120 7.727 -39.824 -6.385 1.00 1.88 H new ATOM 0 HZ1 LYS A 120 6.002 -40.925 -5.104 1.00 2.44 H new ATOM 0 HZ2 LYS A 120 7.174 -42.053 -5.590 1.00 2.44 H new ATOM 0 HZ3 LYS A 120 7.146 -41.495 -3.986 1.00 2.44 H new ATOM 1995 N LEU A 121 14.733 -39.984 -5.564 1.00 0.79 N ATOM 1996 CA LEU A 121 15.989 -40.548 -6.111 1.00 0.78 C ATOM 1997 C LEU A 121 16.621 -41.413 -5.016 1.00 0.86 C ATOM 1998 O LEU A 121 16.997 -42.542 -5.257 1.00 0.95 O ATOM 1999 CB LEU A 121 16.940 -39.429 -6.544 1.00 0.67 C ATOM 2000 CG LEU A 121 16.273 -38.506 -7.585 1.00 0.66 C ATOM 2001 CD1 LEU A 121 17.112 -37.229 -7.780 1.00 0.61 C ATOM 2002 CD2 LEU A 121 16.157 -39.221 -8.940 1.00 0.76 C ATOM 0 H LEU A 121 14.681 -38.966 -5.528 1.00 0.79 H new ATOM 0 HA LEU A 121 15.784 -41.152 -6.995 1.00 0.78 H new ATOM 0 HB2 LEU A 121 17.239 -38.845 -5.674 1.00 0.67 H new ATOM 0 HB3 LEU A 121 17.848 -39.861 -6.965 1.00 0.67 H new ATOM 0 HG LEU A 121 15.280 -38.248 -7.217 1.00 0.66 H new ATOM 0 HD11 LEU A 121 16.630 -36.586 -8.517 1.00 0.61 H new ATOM 0 HD12 LEU A 121 17.191 -36.697 -6.832 1.00 0.61 H new ATOM 0 HD13 LEU A 121 18.109 -37.498 -8.130 1.00 0.61 H new ATOM 0 HD21 LEU A 121 15.684 -38.556 -9.663 1.00 0.76 H new ATOM 0 HD22 LEU A 121 17.151 -39.494 -9.294 1.00 0.76 H new ATOM 0 HD23 LEU A 121 15.553 -40.121 -8.826 1.00 0.76 H new ATOM 2014 N ASN A 122 16.709 -40.905 -3.807 1.00 0.88 N ATOM 2015 CA ASN A 122 17.281 -41.710 -2.676 1.00 1.02 C ATOM 2016 C ASN A 122 16.247 -41.828 -1.551 1.00 1.08 C ATOM 2017 O ASN A 122 16.482 -41.388 -0.444 1.00 1.15 O ATOM 2018 CB ASN A 122 18.524 -41.027 -2.098 1.00 1.10 C ATOM 2019 CG ASN A 122 19.185 -41.968 -1.086 1.00 1.31 C ATOM 2020 OD1 ASN A 122 20.390 -42.414 -1.311 1.00 1.78 O flip ATOM 2021 ND2 ASN A 122 18.597 -42.306 -0.078 1.00 1.70 N flip ATOM 0 H ASN A 122 16.408 -39.964 -3.554 1.00 0.88 H new ATOM 0 HA ASN A 122 17.546 -42.693 -3.065 1.00 1.02 H new ATOM 0 HB2 ASN A 122 19.224 -40.781 -2.896 1.00 1.10 H new ATOM 0 HB3 ASN A 122 18.248 -40.089 -1.616 1.00 1.10 H new ATOM 0 HD21 ASN A 122 17.655 -41.960 0.103 1.00 1.70 H new ATOM 0 HD22 ASN A 122 19.046 -42.936 0.587 1.00 1.70 H new ATOM 2028 N SER A 123 15.110 -42.422 -1.807 1.00 1.09 N ATOM 2029 CA SER A 123 14.087 -42.568 -0.726 1.00 1.18 C ATOM 2030 C SER A 123 14.268 -43.932 -0.053 1.00 1.37 C ATOM 2031 O SER A 123 14.462 -44.901 -0.768 1.00 1.92 O ATOM 2032 CB SER A 123 12.683 -42.465 -1.340 1.00 1.16 C ATOM 2033 OG SER A 123 11.958 -43.667 -1.112 1.00 1.83 O ATOM 2034 OXT SER A 123 14.211 -43.983 1.164 1.00 1.65 O ATOM 0 H SER A 123 14.846 -42.811 -2.712 1.00 1.09 H new ATOM 0 HA SER A 123 14.209 -41.779 0.016 1.00 1.18 H new ATOM 0 HB2 SER A 123 12.148 -41.621 -0.904 1.00 1.16 H new ATOM 0 HB3 SER A 123 12.759 -42.275 -2.411 1.00 1.16 H new ATOM 0 HG SER A 123 11.064 -43.590 -1.506 1.00 1.83 H new TER 2040 SER A 123 ATOM 2041 N ALA B 1 30.207 -37.814 -17.284 1.00 0.82 N ATOM 2042 CA ALA B 1 29.024 -37.194 -17.946 1.00 0.80 C ATOM 2043 C ALA B 1 28.296 -36.296 -16.939 1.00 0.71 C ATOM 2044 O ALA B 1 27.228 -35.786 -17.204 1.00 0.71 O ATOM 2045 CB ALA B 1 28.086 -38.311 -18.435 1.00 0.91 C ATOM 0 H1 ALA B 1 30.685 -38.451 -17.953 1.00 0.82 H new ATOM 0 H2 ALA B 1 30.867 -37.069 -16.984 1.00 0.82 H new ATOM 0 H3 ALA B 1 29.895 -38.356 -16.453 1.00 0.82 H new ATOM 0 HA ALA B 1 29.340 -36.590 -18.796 1.00 0.80 H new ATOM 0 HB1 ALA B 1 27.216 -37.869 -18.921 1.00 0.91 H new ATOM 0 HB2 ALA B 1 28.616 -38.946 -19.146 1.00 0.91 H new ATOM 0 HB3 ALA B 1 27.761 -38.911 -17.585 1.00 0.91 H new ATOM 2053 N GLN B 2 28.865 -36.110 -15.782 1.00 0.67 N ATOM 2054 CA GLN B 2 28.205 -35.265 -14.747 1.00 0.60 C ATOM 2055 C GLN B 2 28.296 -33.785 -15.129 1.00 0.52 C ATOM 2056 O GLN B 2 29.266 -33.338 -15.708 1.00 0.52 O ATOM 2057 CB GLN B 2 28.894 -35.508 -13.406 1.00 0.62 C ATOM 2058 CG GLN B 2 28.636 -36.955 -12.988 1.00 0.72 C ATOM 2059 CD GLN B 2 29.418 -37.279 -11.717 1.00 1.27 C ATOM 2060 OE1 GLN B 2 30.158 -36.457 -11.215 1.00 2.00 O ATOM 2061 NE2 GLN B 2 29.287 -38.458 -11.177 1.00 1.88 N ATOM 0 H GLN B 2 29.763 -36.508 -15.506 1.00 0.67 H new ATOM 0 HA GLN B 2 27.150 -35.531 -14.674 1.00 0.60 H new ATOM 0 HB2 GLN B 2 29.965 -35.323 -13.490 1.00 0.62 H new ATOM 0 HB3 GLN B 2 28.510 -34.821 -12.652 1.00 0.62 H new ATOM 0 HG2 GLN B 2 27.570 -37.109 -12.818 1.00 0.72 H new ATOM 0 HG3 GLN B 2 28.932 -37.632 -13.789 1.00 0.72 H new ATOM 0 HE21 GLN B 2 28.665 -39.147 -11.600 1.00 1.88 H new ATOM 0 HE22 GLN B 2 29.807 -38.692 -10.331 1.00 1.88 H new ATOM 2070 N SER B 3 27.280 -33.023 -14.813 1.00 0.47 N ATOM 2071 CA SER B 3 27.288 -31.572 -15.159 1.00 0.41 C ATOM 2072 C SER B 3 27.918 -30.768 -14.019 1.00 0.37 C ATOM 2073 O SER B 3 27.300 -29.888 -13.455 1.00 0.34 O ATOM 2074 CB SER B 3 25.847 -31.099 -15.375 1.00 0.41 C ATOM 2075 OG SER B 3 25.116 -32.110 -16.054 1.00 1.37 O ATOM 0 H SER B 3 26.443 -33.346 -14.328 1.00 0.47 H new ATOM 0 HA SER B 3 27.870 -31.421 -16.068 1.00 0.41 H new ATOM 0 HB2 SER B 3 25.378 -30.877 -14.417 1.00 0.41 H new ATOM 0 HB3 SER B 3 25.838 -30.176 -15.955 1.00 0.41 H new ATOM 0 HG SER B 3 24.193 -31.810 -16.192 1.00 1.37 H new ATOM 2081 N ARG B 4 29.145 -31.052 -13.682 1.00 0.41 N ATOM 2082 CA ARG B 4 29.803 -30.284 -12.589 1.00 0.42 C ATOM 2083 C ARG B 4 29.981 -28.834 -13.014 1.00 0.42 C ATOM 2084 O ARG B 4 29.798 -27.921 -12.233 1.00 0.43 O ATOM 2085 CB ARG B 4 31.149 -30.915 -12.233 1.00 0.51 C ATOM 2086 CG ARG B 4 30.883 -32.174 -11.409 1.00 0.91 C ATOM 2087 CD ARG B 4 32.189 -32.832 -10.988 1.00 1.03 C ATOM 2088 NE ARG B 4 32.838 -33.459 -12.173 1.00 1.97 N ATOM 2089 CZ ARG B 4 34.035 -33.966 -12.067 1.00 2.55 C ATOM 2090 NH1 ARG B 4 34.640 -33.972 -10.910 1.00 2.53 N ATOM 2091 NH2 ARG B 4 34.618 -34.489 -13.110 1.00 3.56 N ATOM 0 H ARG B 4 29.718 -31.778 -14.113 1.00 0.41 H new ATOM 0 HA ARG B 4 29.171 -30.312 -11.701 1.00 0.42 H new ATOM 0 HB2 ARG B 4 31.704 -31.163 -13.138 1.00 0.51 H new ATOM 0 HB3 ARG B 4 31.760 -30.212 -11.667 1.00 0.51 H new ATOM 0 HG2 ARG B 4 30.298 -31.919 -10.525 1.00 0.91 H new ATOM 0 HG3 ARG B 4 30.288 -32.877 -11.993 1.00 0.91 H new ATOM 0 HD2 ARG B 4 32.855 -32.091 -10.546 1.00 1.03 H new ATOM 0 HD3 ARG B 4 31.998 -33.586 -10.224 1.00 1.03 H new ATOM 0 HE ARG B 4 32.347 -33.492 -13.066 1.00 1.97 H new ATOM 0 HH11 ARG B 4 34.177 -33.580 -10.090 1.00 2.53 H new ATOM 0 HH12 ARG B 4 35.576 -34.368 -10.826 1.00 2.53 H new ATOM 0 HH21 ARG B 4 34.138 -34.502 -14.010 1.00 3.56 H new ATOM 0 HH22 ARG B 4 35.554 -34.885 -13.026 1.00 3.56 H new ATOM 2105 N THR B 5 30.319 -28.608 -14.247 1.00 0.45 N ATOM 2106 CA THR B 5 30.486 -27.209 -14.710 1.00 0.49 C ATOM 2107 C THR B 5 29.163 -26.470 -14.493 1.00 0.44 C ATOM 2108 O THR B 5 29.139 -25.332 -14.069 1.00 0.46 O ATOM 2109 CB THR B 5 30.851 -27.215 -16.196 1.00 0.54 C ATOM 2110 OG1 THR B 5 31.078 -25.883 -16.631 1.00 0.68 O ATOM 2111 CG2 THR B 5 29.712 -27.838 -17.010 1.00 0.57 C ATOM 0 H THR B 5 30.486 -29.327 -14.951 1.00 0.45 H new ATOM 0 HA THR B 5 31.280 -26.710 -14.154 1.00 0.49 H new ATOM 0 HB THR B 5 31.756 -27.805 -16.343 1.00 0.54 H new ATOM 0 HG1 THR B 5 31.313 -25.885 -17.582 1.00 0.68 H new ATOM 0 HG21 THR B 5 29.978 -27.839 -18.067 1.00 0.57 H new ATOM 0 HG22 THR B 5 29.545 -28.862 -16.677 1.00 0.57 H new ATOM 0 HG23 THR B 5 28.801 -27.256 -16.866 1.00 0.57 H new ATOM 2119 N LEU B 6 28.059 -27.117 -14.756 1.00 0.39 N ATOM 2120 CA LEU B 6 26.742 -26.455 -14.536 1.00 0.36 C ATOM 2121 C LEU B 6 26.545 -26.236 -13.031 1.00 0.32 C ATOM 2122 O LEU B 6 26.101 -25.189 -12.602 1.00 0.33 O ATOM 2123 CB LEU B 6 25.631 -27.349 -15.106 1.00 0.35 C ATOM 2124 CG LEU B 6 24.245 -26.708 -14.904 1.00 0.35 C ATOM 2125 CD1 LEU B 6 24.105 -25.389 -15.709 1.00 0.41 C ATOM 2126 CD2 LEU B 6 23.147 -27.712 -15.317 1.00 0.37 C ATOM 0 H LEU B 6 28.013 -28.072 -15.112 1.00 0.39 H new ATOM 0 HA LEU B 6 26.707 -25.490 -15.041 1.00 0.36 H new ATOM 0 HB2 LEU B 6 25.805 -27.518 -16.169 1.00 0.35 H new ATOM 0 HB3 LEU B 6 25.659 -28.324 -14.619 1.00 0.35 H new ATOM 0 HG LEU B 6 24.132 -26.459 -13.849 1.00 0.35 H new ATOM 0 HD11 LEU B 6 23.115 -24.965 -15.543 1.00 0.41 H new ATOM 0 HD12 LEU B 6 24.864 -24.679 -15.380 1.00 0.41 H new ATOM 0 HD13 LEU B 6 24.238 -25.595 -16.771 1.00 0.41 H new ATOM 0 HD21 LEU B 6 22.166 -27.258 -15.174 1.00 0.37 H new ATOM 0 HD22 LEU B 6 23.274 -27.979 -16.366 1.00 0.37 H new ATOM 0 HD23 LEU B 6 23.225 -28.609 -14.703 1.00 0.37 H new ATOM 2138 N LEU B 7 26.894 -27.203 -12.223 1.00 0.29 N ATOM 2139 CA LEU B 7 26.749 -27.033 -10.746 1.00 0.27 C ATOM 2140 C LEU B 7 27.637 -25.875 -10.292 1.00 0.30 C ATOM 2141 O LEU B 7 27.261 -25.085 -9.448 1.00 0.29 O ATOM 2142 CB LEU B 7 27.170 -28.321 -10.031 1.00 0.27 C ATOM 2143 CG LEU B 7 26.050 -29.371 -10.158 1.00 0.24 C ATOM 2144 CD1 LEU B 7 26.588 -30.771 -9.826 1.00 0.28 C ATOM 2145 CD2 LEU B 7 24.883 -29.035 -9.204 1.00 0.23 C ATOM 0 H LEU B 7 27.273 -28.102 -12.521 1.00 0.29 H new ATOM 0 HA LEU B 7 25.709 -26.818 -10.500 1.00 0.27 H new ATOM 0 HB2 LEU B 7 28.093 -28.705 -10.465 1.00 0.27 H new ATOM 0 HB3 LEU B 7 27.373 -28.116 -8.980 1.00 0.27 H new ATOM 0 HG LEU B 7 25.689 -29.357 -11.186 1.00 0.24 H new ATOM 0 HD11 LEU B 7 25.784 -31.501 -9.920 1.00 0.28 H new ATOM 0 HD12 LEU B 7 27.392 -31.025 -10.517 1.00 0.28 H new ATOM 0 HD13 LEU B 7 26.970 -30.781 -8.805 1.00 0.28 H new ATOM 0 HD21 LEU B 7 24.101 -29.787 -9.307 1.00 0.23 H new ATOM 0 HD22 LEU B 7 25.245 -29.026 -8.176 1.00 0.23 H new ATOM 0 HD23 LEU B 7 24.479 -28.054 -9.455 1.00 0.23 H new ATOM 2157 N ALA B 8 28.814 -25.766 -10.845 1.00 0.35 N ATOM 2158 CA ALA B 8 29.719 -24.656 -10.440 1.00 0.39 C ATOM 2159 C ALA B 8 29.008 -23.326 -10.700 1.00 0.38 C ATOM 2160 O ALA B 8 29.052 -22.421 -9.891 1.00 0.38 O ATOM 2161 CB ALA B 8 31.017 -24.731 -11.257 1.00 0.45 C ATOM 0 H ALA B 8 29.186 -26.395 -11.557 1.00 0.35 H new ATOM 0 HA ALA B 8 29.966 -24.737 -9.381 1.00 0.39 H new ATOM 0 HB1 ALA B 8 31.681 -23.918 -10.961 1.00 0.45 H new ATOM 0 HB2 ALA B 8 31.508 -25.686 -11.072 1.00 0.45 H new ATOM 0 HB3 ALA B 8 30.785 -24.642 -12.318 1.00 0.45 H new ATOM 2167 N GLY B 9 28.340 -23.208 -11.815 1.00 0.38 N ATOM 2168 CA GLY B 9 27.612 -21.943 -12.115 1.00 0.39 C ATOM 2169 C GLY B 9 26.448 -21.786 -11.133 1.00 0.34 C ATOM 2170 O GLY B 9 26.244 -20.733 -10.562 1.00 0.34 O ATOM 0 H GLY B 9 28.267 -23.932 -12.530 1.00 0.38 H new ATOM 0 HA2 GLY B 9 28.289 -21.092 -12.034 1.00 0.39 H new ATOM 0 HA3 GLY B 9 27.240 -21.958 -13.139 1.00 0.39 H new ATOM 2174 N ILE B 10 25.685 -22.829 -10.929 1.00 0.30 N ATOM 2175 CA ILE B 10 24.536 -22.743 -9.979 1.00 0.27 C ATOM 2176 C ILE B 10 25.057 -22.388 -8.585 1.00 0.26 C ATOM 2177 O ILE B 10 24.539 -21.508 -7.926 1.00 0.25 O ATOM 2178 CB ILE B 10 23.807 -24.092 -9.912 1.00 0.25 C ATOM 2179 CG1 ILE B 10 23.176 -24.409 -11.277 1.00 0.28 C ATOM 2180 CG2 ILE B 10 22.707 -24.081 -8.818 1.00 0.26 C ATOM 2181 CD1 ILE B 10 22.533 -25.815 -11.238 1.00 0.26 C ATOM 0 H ILE B 10 25.808 -23.736 -11.379 1.00 0.30 H new ATOM 0 HA ILE B 10 23.844 -21.976 -10.326 1.00 0.27 H new ATOM 0 HB ILE B 10 24.536 -24.861 -9.656 1.00 0.25 H new ATOM 0 HG12 ILE B 10 22.423 -23.660 -11.523 1.00 0.28 H new ATOM 0 HG13 ILE B 10 23.935 -24.367 -12.058 1.00 0.28 H new ATOM 0 HG21 ILE B 10 22.208 -25.050 -8.794 1.00 0.26 H new ATOM 0 HG22 ILE B 10 23.161 -23.883 -7.847 1.00 0.26 H new ATOM 0 HG23 ILE B 10 21.978 -23.303 -9.043 1.00 0.26 H new ATOM 0 HD11 ILE B 10 22.086 -26.038 -12.207 1.00 0.26 H new ATOM 0 HD12 ILE B 10 23.297 -26.558 -11.011 1.00 0.26 H new ATOM 0 HD13 ILE B 10 21.762 -25.841 -10.468 1.00 0.26 H new ATOM 2193 N VAL B 11 26.065 -23.074 -8.117 1.00 0.26 N ATOM 2194 CA VAL B 11 26.586 -22.769 -6.754 1.00 0.27 C ATOM 2195 C VAL B 11 27.053 -21.314 -6.724 1.00 0.29 C ATOM 2196 O VAL B 11 26.830 -20.599 -5.767 1.00 0.28 O ATOM 2197 CB VAL B 11 27.766 -23.703 -6.431 1.00 0.30 C ATOM 2198 CG1 VAL B 11 28.451 -23.235 -5.136 1.00 0.35 C ATOM 2199 CG2 VAL B 11 27.269 -25.165 -6.289 1.00 0.29 C ATOM 0 H VAL B 11 26.546 -23.824 -8.613 1.00 0.26 H new ATOM 0 HA VAL B 11 25.803 -22.921 -6.012 1.00 0.27 H new ATOM 0 HB VAL B 11 28.489 -23.667 -7.246 1.00 0.30 H new ATOM 0 HG11 VAL B 11 29.287 -23.896 -4.907 1.00 0.35 H new ATOM 0 HG12 VAL B 11 28.819 -22.217 -5.266 1.00 0.35 H new ATOM 0 HG13 VAL B 11 27.734 -23.259 -4.316 1.00 0.35 H new ATOM 0 HG21 VAL B 11 28.113 -25.816 -6.061 1.00 0.29 H new ATOM 0 HG22 VAL B 11 26.537 -25.224 -5.483 1.00 0.29 H new ATOM 0 HG23 VAL B 11 26.807 -25.485 -7.223 1.00 0.29 H new ATOM 2209 N GLN B 12 27.692 -20.869 -7.769 1.00 0.32 N ATOM 2210 CA GLN B 12 28.164 -19.457 -7.805 1.00 0.34 C ATOM 2211 C GLN B 12 26.957 -18.516 -7.795 1.00 0.32 C ATOM 2212 O GLN B 12 26.972 -17.481 -7.159 1.00 0.32 O ATOM 2213 CB GLN B 12 29.002 -19.232 -9.080 1.00 0.39 C ATOM 2214 CG GLN B 12 30.482 -19.057 -8.729 1.00 1.18 C ATOM 2215 CD GLN B 12 31.280 -18.833 -10.014 1.00 1.63 C ATOM 2216 OE1 GLN B 12 31.459 -19.743 -10.799 1.00 1.99 O ATOM 2217 NE2 GLN B 12 31.763 -17.647 -10.266 1.00 2.40 N ATOM 0 H GLN B 12 27.908 -21.421 -8.599 1.00 0.32 H new ATOM 0 HA GLN B 12 28.782 -19.251 -6.931 1.00 0.34 H new ATOM 0 HB2 GLN B 12 28.881 -20.079 -9.755 1.00 0.39 H new ATOM 0 HB3 GLN B 12 28.641 -18.349 -9.608 1.00 0.39 H new ATOM 0 HG2 GLN B 12 30.611 -18.210 -8.055 1.00 1.18 H new ATOM 0 HG3 GLN B 12 30.851 -19.940 -8.207 1.00 1.18 H new ATOM 0 HE21 GLN B 12 31.612 -16.884 -9.606 1.00 2.40 H new ATOM 0 HE22 GLN B 12 32.292 -17.483 -11.123 1.00 2.40 H new ATOM 2226 N GLN B 13 25.919 -18.853 -8.508 1.00 0.30 N ATOM 2227 CA GLN B 13 24.735 -17.953 -8.541 1.00 0.28 C ATOM 2228 C GLN B 13 24.190 -17.787 -7.122 1.00 0.25 C ATOM 2229 O GLN B 13 23.806 -16.707 -6.720 1.00 0.25 O ATOM 2230 CB GLN B 13 23.660 -18.549 -9.458 1.00 0.28 C ATOM 2231 CG GLN B 13 22.498 -17.562 -9.630 1.00 0.30 C ATOM 2232 CD GLN B 13 22.916 -16.399 -10.538 1.00 0.38 C ATOM 2233 OE1 GLN B 13 23.752 -15.595 -10.180 1.00 0.84 O ATOM 2234 NE2 GLN B 13 22.351 -16.264 -11.706 1.00 0.64 N ATOM 0 H GLN B 13 25.840 -19.704 -9.064 1.00 0.30 H new ATOM 0 HA GLN B 13 25.024 -16.976 -8.930 1.00 0.28 H new ATOM 0 HB2 GLN B 13 24.092 -18.785 -10.430 1.00 0.28 H new ATOM 0 HB3 GLN B 13 23.292 -19.485 -9.037 1.00 0.28 H new ATOM 0 HG2 GLN B 13 21.637 -18.075 -10.058 1.00 0.30 H new ATOM 0 HG3 GLN B 13 22.190 -17.180 -8.657 1.00 0.30 H new ATOM 0 HE21 GLN B 13 21.648 -16.936 -12.013 1.00 0.64 H new ATOM 0 HE22 GLN B 13 22.612 -15.486 -12.312 1.00 0.64 H new ATOM 2243 N GLN B 14 24.165 -18.840 -6.354 1.00 0.22 N ATOM 2244 CA GLN B 14 23.657 -18.724 -4.960 1.00 0.20 C ATOM 2245 C GLN B 14 24.540 -17.743 -4.186 1.00 0.22 C ATOM 2246 O GLN B 14 24.059 -16.921 -3.432 1.00 0.21 O ATOM 2247 CB GLN B 14 23.708 -20.096 -4.287 1.00 0.20 C ATOM 2248 CG GLN B 14 22.652 -21.007 -4.914 1.00 0.18 C ATOM 2249 CD GLN B 14 22.701 -22.380 -4.242 1.00 0.20 C ATOM 2250 OE1 GLN B 14 21.594 -22.923 -3.817 1.00 0.29 O flip ATOM 2251 NE2 GLN B 14 23.758 -22.962 -4.100 1.00 0.24 N flip ATOM 0 H GLN B 14 24.473 -19.772 -6.630 1.00 0.22 H new ATOM 0 HA GLN B 14 22.629 -18.363 -4.970 1.00 0.20 H new ATOM 0 HB2 GLN B 14 24.699 -20.535 -4.404 1.00 0.20 H new ATOM 0 HB3 GLN B 14 23.529 -19.995 -3.217 1.00 0.20 H new ATOM 0 HG2 GLN B 14 21.661 -20.568 -4.797 1.00 0.18 H new ATOM 0 HG3 GLN B 14 22.832 -21.107 -5.984 1.00 0.18 H new ATOM 0 HE21 GLN B 14 24.623 -22.536 -4.433 1.00 0.24 H new ATOM 0 HE22 GLN B 14 23.780 -23.876 -3.648 1.00 0.24 H new ATOM 2260 N GLN B 15 25.830 -17.825 -4.370 1.00 0.26 N ATOM 2261 CA GLN B 15 26.746 -16.897 -3.649 1.00 0.29 C ATOM 2262 C GLN B 15 26.413 -15.454 -4.032 1.00 0.28 C ATOM 2263 O GLN B 15 26.355 -14.576 -3.194 1.00 0.29 O ATOM 2264 CB GLN B 15 28.194 -17.213 -4.035 1.00 0.34 C ATOM 2265 CG GLN B 15 29.148 -16.282 -3.281 1.00 0.38 C ATOM 2266 CD GLN B 15 30.594 -16.650 -3.623 1.00 0.44 C ATOM 2267 OE1 GLN B 15 30.836 -17.446 -4.508 1.00 0.82 O ATOM 2268 NE2 GLN B 15 31.570 -16.104 -2.951 1.00 0.81 N ATOM 0 H GLN B 15 26.288 -18.494 -4.988 1.00 0.26 H new ATOM 0 HA GLN B 15 26.623 -17.022 -2.573 1.00 0.29 H new ATOM 0 HB2 GLN B 15 28.424 -18.252 -3.800 1.00 0.34 H new ATOM 0 HB3 GLN B 15 28.328 -17.092 -5.110 1.00 0.34 H new ATOM 0 HG2 GLN B 15 28.951 -15.245 -3.552 1.00 0.38 H new ATOM 0 HG3 GLN B 15 28.984 -16.367 -2.207 1.00 0.38 H new ATOM 0 HE21 GLN B 15 31.366 -15.436 -2.208 1.00 0.81 H new ATOM 0 HE22 GLN B 15 32.537 -16.346 -3.169 1.00 0.81 H new ATOM 2277 N GLN B 16 26.200 -15.199 -5.295 1.00 0.28 N ATOM 2278 CA GLN B 16 25.879 -13.811 -5.730 1.00 0.29 C ATOM 2279 C GLN B 16 24.553 -13.374 -5.103 1.00 0.25 C ATOM 2280 O GLN B 16 24.406 -12.252 -4.661 1.00 0.26 O ATOM 2281 CB GLN B 16 25.772 -13.771 -7.256 1.00 0.31 C ATOM 2282 CG GLN B 16 27.165 -13.961 -7.861 1.00 0.36 C ATOM 2283 CD GLN B 16 27.077 -13.926 -9.388 1.00 0.39 C ATOM 2284 OE1 GLN B 16 25.947 -13.612 -9.958 1.00 0.93 O flip ATOM 2285 NE2 GLN B 16 28.051 -14.179 -10.069 1.00 0.87 N flip ATOM 0 H GLN B 16 26.235 -15.892 -6.043 1.00 0.28 H new ATOM 0 HA GLN B 16 26.668 -13.132 -5.407 1.00 0.29 H new ATOM 0 HB2 GLN B 16 25.100 -14.554 -7.606 1.00 0.31 H new ATOM 0 HB3 GLN B 16 25.349 -12.820 -7.578 1.00 0.31 H new ATOM 0 HG2 GLN B 16 27.835 -13.177 -7.508 1.00 0.36 H new ATOM 0 HG3 GLN B 16 27.587 -14.911 -7.534 1.00 0.36 H new ATOM 0 HE21 GLN B 16 28.935 -14.425 -9.623 1.00 0.87 H new ATOM 0 HE22 GLN B 16 27.985 -14.146 -11.086 1.00 0.87 H new ATOM 2294 N LEU B 17 23.589 -14.254 -5.042 1.00 0.22 N ATOM 2295 CA LEU B 17 22.285 -13.882 -4.423 1.00 0.19 C ATOM 2296 C LEU B 17 22.508 -13.587 -2.939 1.00 0.18 C ATOM 2297 O LEU B 17 21.962 -12.650 -2.391 1.00 0.18 O ATOM 2298 CB LEU B 17 21.294 -15.043 -4.566 1.00 0.16 C ATOM 2299 CG LEU B 17 20.852 -15.206 -6.028 1.00 0.18 C ATOM 2300 CD1 LEU B 17 20.120 -16.543 -6.179 1.00 0.18 C ATOM 2301 CD2 LEU B 17 19.906 -14.065 -6.433 1.00 0.20 C ATOM 0 H LEU B 17 23.648 -15.210 -5.393 1.00 0.22 H new ATOM 0 HA LEU B 17 21.880 -13.002 -4.922 1.00 0.19 H new ATOM 0 HB2 LEU B 17 21.756 -15.966 -4.216 1.00 0.16 H new ATOM 0 HB3 LEU B 17 20.423 -14.863 -3.936 1.00 0.16 H new ATOM 0 HG LEU B 17 21.731 -15.180 -6.671 1.00 0.18 H new ATOM 0 HD11 LEU B 17 19.802 -16.669 -7.214 1.00 0.18 H new ATOM 0 HD12 LEU B 17 20.790 -17.358 -5.904 1.00 0.18 H new ATOM 0 HD13 LEU B 17 19.247 -16.555 -5.527 1.00 0.18 H new ATOM 0 HD21 LEU B 17 19.602 -14.196 -7.472 1.00 0.20 H new ATOM 0 HD22 LEU B 17 19.024 -14.079 -5.793 1.00 0.20 H new ATOM 0 HD23 LEU B 17 20.420 -13.110 -6.323 1.00 0.20 H new ATOM 2313 N LEU B 18 23.316 -14.378 -2.290 1.00 0.19 N ATOM 2314 CA LEU B 18 23.589 -14.148 -0.845 1.00 0.20 C ATOM 2315 C LEU B 18 24.208 -12.760 -0.666 1.00 0.22 C ATOM 2316 O LEU B 18 23.851 -12.020 0.229 1.00 0.22 O ATOM 2317 CB LEU B 18 24.565 -15.224 -0.352 1.00 0.22 C ATOM 2318 CG LEU B 18 24.877 -15.033 1.140 1.00 0.25 C ATOM 2319 CD1 LEU B 18 23.594 -15.212 1.979 1.00 0.26 C ATOM 2320 CD2 LEU B 18 25.935 -16.062 1.575 1.00 0.29 C ATOM 0 H LEU B 18 23.800 -15.176 -2.700 1.00 0.19 H new ATOM 0 HA LEU B 18 22.664 -14.203 -0.271 1.00 0.20 H new ATOM 0 HB2 LEU B 18 24.136 -16.213 -0.515 1.00 0.22 H new ATOM 0 HB3 LEU B 18 25.488 -15.177 -0.930 1.00 0.22 H new ATOM 0 HG LEU B 18 25.261 -14.026 1.301 1.00 0.25 H new ATOM 0 HD11 LEU B 18 23.828 -15.074 3.035 1.00 0.26 H new ATOM 0 HD12 LEU B 18 22.853 -14.474 1.672 1.00 0.26 H new ATOM 0 HD13 LEU B 18 23.194 -16.214 1.823 1.00 0.26 H new ATOM 0 HD21 LEU B 18 26.158 -15.929 2.634 1.00 0.29 H new ATOM 0 HD22 LEU B 18 25.553 -17.069 1.409 1.00 0.29 H new ATOM 0 HD23 LEU B 18 26.844 -15.918 0.991 1.00 0.29 H new ATOM 2332 N ASP B 19 25.140 -12.403 -1.506 1.00 0.25 N ATOM 2333 CA ASP B 19 25.789 -11.068 -1.379 1.00 0.28 C ATOM 2334 C ASP B 19 24.736 -9.964 -1.519 1.00 0.26 C ATOM 2335 O ASP B 19 24.689 -9.040 -0.732 1.00 0.27 O ATOM 2336 CB ASP B 19 26.844 -10.911 -2.478 1.00 0.32 C ATOM 2337 CG ASP B 19 27.518 -9.542 -2.358 1.00 0.35 C ATOM 2338 OD1 ASP B 19 27.035 -8.728 -1.590 1.00 1.12 O ATOM 2339 OD2 ASP B 19 28.510 -9.333 -3.037 1.00 1.13 O ATOM 0 H ASP B 19 25.481 -12.979 -2.276 1.00 0.25 H new ATOM 0 HA ASP B 19 26.264 -10.988 -0.401 1.00 0.28 H new ATOM 0 HB2 ASP B 19 27.589 -11.702 -2.395 1.00 0.32 H new ATOM 0 HB3 ASP B 19 26.379 -11.013 -3.459 1.00 0.32 H new ATOM 2344 N VAL B 20 23.897 -10.042 -2.517 1.00 0.25 N ATOM 2345 CA VAL B 20 22.862 -8.984 -2.698 1.00 0.24 C ATOM 2346 C VAL B 20 21.954 -8.917 -1.469 1.00 0.21 C ATOM 2347 O VAL B 20 21.579 -7.851 -1.024 1.00 0.23 O ATOM 2348 CB VAL B 20 22.003 -9.289 -3.927 1.00 0.24 C ATOM 2349 CG1 VAL B 20 20.869 -8.253 -4.032 1.00 0.24 C ATOM 2350 CG2 VAL B 20 22.877 -9.229 -5.179 1.00 0.30 C ATOM 0 H VAL B 20 23.883 -10.789 -3.212 1.00 0.25 H new ATOM 0 HA VAL B 20 23.371 -8.029 -2.832 1.00 0.24 H new ATOM 0 HB VAL B 20 21.570 -10.285 -3.835 1.00 0.24 H new ATOM 0 HG11 VAL B 20 20.257 -8.471 -4.908 1.00 0.24 H new ATOM 0 HG12 VAL B 20 20.250 -8.299 -3.136 1.00 0.24 H new ATOM 0 HG13 VAL B 20 21.296 -7.255 -4.127 1.00 0.24 H new ATOM 0 HG21 VAL B 20 22.269 -9.446 -6.058 1.00 0.30 H new ATOM 0 HG22 VAL B 20 23.309 -8.233 -5.273 1.00 0.30 H new ATOM 0 HG23 VAL B 20 23.677 -9.966 -5.100 1.00 0.30 H new ATOM 2360 N VAL B 21 21.590 -10.042 -0.919 1.00 0.18 N ATOM 2361 CA VAL B 21 20.700 -10.024 0.274 1.00 0.18 C ATOM 2362 C VAL B 21 21.412 -9.252 1.379 1.00 0.22 C ATOM 2363 O VAL B 21 20.825 -8.434 2.061 1.00 0.21 O ATOM 2364 CB VAL B 21 20.444 -11.471 0.732 1.00 0.18 C ATOM 2365 CG1 VAL B 21 19.700 -11.498 2.083 1.00 0.21 C ATOM 2366 CG2 VAL B 21 19.638 -12.237 -0.349 1.00 0.15 C ATOM 0 H VAL B 21 21.869 -10.968 -1.242 1.00 0.18 H new ATOM 0 HA VAL B 21 19.746 -9.551 0.040 1.00 0.18 H new ATOM 0 HB VAL B 21 21.406 -11.965 0.869 1.00 0.18 H new ATOM 0 HG11 VAL B 21 19.531 -12.532 2.385 1.00 0.21 H new ATOM 0 HG12 VAL B 21 20.301 -10.993 2.839 1.00 0.21 H new ATOM 0 HG13 VAL B 21 18.742 -10.989 1.981 1.00 0.21 H new ATOM 0 HG21 VAL B 21 19.462 -13.260 -0.015 1.00 0.15 H new ATOM 0 HG22 VAL B 21 18.682 -11.739 -0.511 1.00 0.15 H new ATOM 0 HG23 VAL B 21 20.202 -12.252 -1.281 1.00 0.15 H new ATOM 2376 N LYS B 22 22.670 -9.521 1.572 1.00 0.27 N ATOM 2377 CA LYS B 22 23.414 -8.816 2.645 1.00 0.32 C ATOM 2378 C LYS B 22 23.385 -7.314 2.377 1.00 0.32 C ATOM 2379 O LYS B 22 23.243 -6.513 3.279 1.00 0.33 O ATOM 2380 CB LYS B 22 24.862 -9.303 2.664 1.00 0.38 C ATOM 2381 CG LYS B 22 25.595 -8.614 3.813 1.00 0.45 C ATOM 2382 CD LYS B 22 27.011 -9.168 3.937 1.00 0.75 C ATOM 2383 CE LYS B 22 27.679 -8.534 5.157 1.00 1.12 C ATOM 2384 NZ LYS B 22 29.135 -8.846 5.150 1.00 1.91 N ATOM 0 H LYS B 22 23.213 -10.197 1.034 1.00 0.27 H new ATOM 0 HA LYS B 22 22.949 -9.023 3.609 1.00 0.32 H new ATOM 0 HB2 LYS B 22 24.895 -10.385 2.790 1.00 0.38 H new ATOM 0 HB3 LYS B 22 25.349 -9.077 1.715 1.00 0.38 H new ATOM 0 HG2 LYS B 22 25.631 -7.539 3.639 1.00 0.45 H new ATOM 0 HG3 LYS B 22 25.052 -8.768 4.746 1.00 0.45 H new ATOM 0 HD2 LYS B 22 26.985 -10.253 4.041 1.00 0.75 H new ATOM 0 HD3 LYS B 22 27.583 -8.948 3.036 1.00 0.75 H new ATOM 0 HE2 LYS B 22 27.528 -7.455 5.146 1.00 1.12 H new ATOM 0 HE3 LYS B 22 27.221 -8.911 6.071 1.00 1.12 H new ATOM 0 HZ1 LYS B 22 29.587 -8.413 5.981 1.00 1.91 H new ATOM 0 HZ2 LYS B 22 29.269 -9.877 5.180 1.00 1.91 H new ATOM 0 HZ3 LYS B 22 29.567 -8.466 4.284 1.00 1.91 H new ATOM 2398 N ARG B 23 23.528 -6.928 1.143 1.00 0.32 N ATOM 2399 CA ARG B 23 23.519 -5.480 0.808 1.00 0.34 C ATOM 2400 C ARG B 23 22.185 -4.863 1.222 1.00 0.28 C ATOM 2401 O ARG B 23 22.130 -3.764 1.738 1.00 0.29 O ATOM 2402 CB ARG B 23 23.716 -5.325 -0.700 1.00 0.38 C ATOM 2403 CG ARG B 23 25.100 -5.882 -1.111 1.00 0.59 C ATOM 2404 CD ARG B 23 25.906 -4.813 -1.841 1.00 0.93 C ATOM 2405 NE ARG B 23 27.187 -5.451 -2.292 1.00 0.81 N ATOM 2406 CZ ARG B 23 28.358 -5.040 -1.909 1.00 1.05 C ATOM 2407 NH1 ARG B 23 28.470 -4.052 -1.062 1.00 1.67 N ATOM 2408 NH2 ARG B 23 29.430 -5.628 -2.364 1.00 1.08 N ATOM 0 H ARG B 23 23.651 -7.556 0.348 1.00 0.32 H new ATOM 0 HA ARG B 23 24.322 -4.970 1.341 1.00 0.34 H new ATOM 0 HB2 ARG B 23 22.928 -5.855 -1.235 1.00 0.38 H new ATOM 0 HB3 ARG B 23 23.640 -4.274 -0.979 1.00 0.38 H new ATOM 0 HG2 ARG B 23 25.643 -6.215 -0.226 1.00 0.59 H new ATOM 0 HG3 ARG B 23 24.973 -6.753 -1.754 1.00 0.59 H new ATOM 0 HD2 ARG B 23 25.348 -4.426 -2.694 1.00 0.93 H new ATOM 0 HD3 ARG B 23 26.108 -3.968 -1.183 1.00 0.93 H new ATOM 0 HE ARG B 23 27.136 -6.245 -2.930 1.00 0.81 H new ATOM 0 HH11 ARG B 23 27.634 -3.597 -0.696 1.00 1.67 H new ATOM 0 HH12 ARG B 23 29.394 -3.736 -0.767 1.00 1.67 H new ATOM 0 HH21 ARG B 23 29.346 -6.407 -3.017 1.00 1.08 H new ATOM 0 HH22 ARG B 23 30.352 -5.309 -2.066 1.00 1.08 H new ATOM 2422 N GLN B 24 21.109 -5.565 1.009 1.00 0.24 N ATOM 2423 CA GLN B 24 19.780 -5.024 1.401 1.00 0.19 C ATOM 2424 C GLN B 24 19.783 -4.775 2.909 1.00 0.19 C ATOM 2425 O GLN B 24 19.240 -3.803 3.393 1.00 0.19 O ATOM 2426 CB GLN B 24 18.690 -6.032 1.035 1.00 0.16 C ATOM 2427 CG GLN B 24 18.551 -6.092 -0.488 1.00 0.17 C ATOM 2428 CD GLN B 24 17.486 -7.122 -0.870 1.00 0.16 C ATOM 2429 OE1 GLN B 24 17.244 -8.063 -0.142 1.00 0.19 O ATOM 2430 NE2 GLN B 24 16.835 -6.980 -1.993 1.00 0.18 N ATOM 0 H GLN B 24 21.092 -6.490 0.580 1.00 0.24 H new ATOM 0 HA GLN B 24 19.582 -4.090 0.876 1.00 0.19 H new ATOM 0 HB2 GLN B 24 18.942 -7.017 1.428 1.00 0.16 H new ATOM 0 HB3 GLN B 24 17.742 -5.741 1.488 1.00 0.16 H new ATOM 0 HG2 GLN B 24 18.277 -5.111 -0.876 1.00 0.17 H new ATOM 0 HG3 GLN B 24 19.507 -6.359 -0.940 1.00 0.17 H new ATOM 0 HE21 GLN B 24 17.039 -6.189 -2.604 1.00 0.18 H new ATOM 0 HE22 GLN B 24 16.123 -7.660 -2.259 1.00 0.18 H new ATOM 2439 N GLN B 25 20.396 -5.654 3.654 1.00 0.21 N ATOM 2440 CA GLN B 25 20.443 -5.483 5.132 1.00 0.23 C ATOM 2441 C GLN B 25 21.141 -4.163 5.477 1.00 0.25 C ATOM 2442 O GLN B 25 20.657 -3.387 6.277 1.00 0.25 O ATOM 2443 CB GLN B 25 21.230 -6.646 5.744 1.00 0.28 C ATOM 2444 CG GLN B 25 21.138 -6.594 7.271 1.00 0.32 C ATOM 2445 CD GLN B 25 19.696 -6.860 7.706 1.00 0.34 C ATOM 2446 OE1 GLN B 25 19.093 -7.830 7.291 1.00 1.06 O ATOM 2447 NE2 GLN B 25 19.113 -6.033 8.529 1.00 1.13 N ATOM 0 H GLN B 25 20.868 -6.486 3.300 1.00 0.21 H new ATOM 0 HA GLN B 25 19.429 -5.469 5.530 1.00 0.23 H new ATOM 0 HB2 GLN B 25 20.835 -7.595 5.380 1.00 0.28 H new ATOM 0 HB3 GLN B 25 22.273 -6.594 5.432 1.00 0.28 H new ATOM 0 HG2 GLN B 25 21.804 -7.336 7.711 1.00 0.32 H new ATOM 0 HG3 GLN B 25 21.464 -5.619 7.632 1.00 0.32 H new ATOM 0 HE21 GLN B 25 19.619 -5.219 8.877 1.00 1.13 H new ATOM 0 HE22 GLN B 25 18.151 -6.201 8.824 1.00 1.13 H new ATOM 2456 N GLU B 26 22.273 -3.903 4.883 1.00 0.27 N ATOM 2457 CA GLU B 26 22.996 -2.634 5.180 1.00 0.29 C ATOM 2458 C GLU B 26 22.175 -1.445 4.675 1.00 0.26 C ATOM 2459 O GLU B 26 22.076 -0.422 5.326 1.00 0.26 O ATOM 2460 CB GLU B 26 24.360 -2.659 4.489 1.00 0.33 C ATOM 2461 CG GLU B 26 25.256 -3.687 5.183 1.00 0.53 C ATOM 2462 CD GLU B 26 26.623 -3.728 4.497 1.00 1.19 C ATOM 2463 OE1 GLU B 26 26.727 -3.211 3.396 1.00 1.85 O ATOM 2464 OE2 GLU B 26 27.543 -4.269 5.086 1.00 1.94 O ATOM 0 H GLU B 26 22.729 -4.514 4.205 1.00 0.27 H new ATOM 0 HA GLU B 26 23.138 -2.534 6.256 1.00 0.29 H new ATOM 0 HB2 GLU B 26 24.243 -2.913 3.436 1.00 0.33 H new ATOM 0 HB3 GLU B 26 24.820 -1.672 4.530 1.00 0.33 H new ATOM 0 HG2 GLU B 26 25.374 -3.429 6.235 1.00 0.53 H new ATOM 0 HG3 GLU B 26 24.791 -4.672 5.147 1.00 0.53 H new ATOM 2471 N LEU B 27 21.574 -1.575 3.525 1.00 0.24 N ATOM 2472 CA LEU B 27 20.748 -0.458 2.988 1.00 0.22 C ATOM 2473 C LEU B 27 19.584 -0.195 3.946 1.00 0.19 C ATOM 2474 O LEU B 27 19.225 0.935 4.213 1.00 0.19 O ATOM 2475 CB LEU B 27 20.219 -0.844 1.602 1.00 0.21 C ATOM 2476 CG LEU B 27 19.220 0.205 1.084 1.00 0.21 C ATOM 2477 CD1 LEU B 27 19.847 1.605 1.162 1.00 0.25 C ATOM 2478 CD2 LEU B 27 18.821 -0.125 -0.378 1.00 0.23 C ATOM 0 H LEU B 27 21.619 -2.405 2.934 1.00 0.24 H new ATOM 0 HA LEU B 27 21.349 0.447 2.898 1.00 0.22 H new ATOM 0 HB2 LEU B 27 21.051 -0.936 0.904 1.00 0.21 H new ATOM 0 HB3 LEU B 27 19.735 -1.819 1.652 1.00 0.21 H new ATOM 0 HG LEU B 27 18.325 0.186 1.705 1.00 0.21 H new ATOM 0 HD11 LEU B 27 19.135 2.344 0.794 1.00 0.25 H new ATOM 0 HD12 LEU B 27 20.103 1.832 2.197 1.00 0.25 H new ATOM 0 HD13 LEU B 27 20.749 1.634 0.551 1.00 0.25 H new ATOM 0 HD21 LEU B 27 18.113 0.621 -0.739 1.00 0.23 H new ATOM 0 HD22 LEU B 27 19.710 -0.117 -1.008 1.00 0.23 H new ATOM 0 HD23 LEU B 27 18.359 -1.111 -0.415 1.00 0.23 H new ATOM 2490 N LEU B 28 19.000 -1.236 4.470 1.00 0.18 N ATOM 2491 CA LEU B 28 17.865 -1.062 5.419 1.00 0.18 C ATOM 2492 C LEU B 28 18.331 -0.257 6.633 1.00 0.20 C ATOM 2493 O LEU B 28 17.617 0.579 7.148 1.00 0.21 O ATOM 2494 CB LEU B 28 17.380 -2.445 5.878 1.00 0.19 C ATOM 2495 CG LEU B 28 16.520 -3.115 4.787 1.00 0.19 C ATOM 2496 CD1 LEU B 28 16.476 -4.652 5.005 1.00 0.21 C ATOM 2497 CD2 LEU B 28 15.091 -2.537 4.829 1.00 0.22 C ATOM 0 H LEU B 28 19.261 -2.204 4.281 1.00 0.18 H new ATOM 0 HA LEU B 28 17.052 -0.530 4.925 1.00 0.18 H new ATOM 0 HB2 LEU B 28 18.237 -3.077 6.111 1.00 0.19 H new ATOM 0 HB3 LEU B 28 16.799 -2.346 6.795 1.00 0.19 H new ATOM 0 HG LEU B 28 16.963 -2.914 3.812 1.00 0.19 H new ATOM 0 HD11 LEU B 28 15.866 -5.112 4.228 1.00 0.21 H new ATOM 0 HD12 LEU B 28 17.488 -5.055 4.958 1.00 0.21 H new ATOM 0 HD13 LEU B 28 16.044 -4.869 5.982 1.00 0.21 H new ATOM 0 HD21 LEU B 28 14.484 -3.011 4.058 1.00 0.22 H new ATOM 0 HD22 LEU B 28 14.650 -2.729 5.807 1.00 0.22 H new ATOM 0 HD23 LEU B 28 15.128 -1.462 4.652 1.00 0.22 H new ATOM 2509 N ARG B 29 19.516 -0.513 7.108 1.00 0.22 N ATOM 2510 CA ARG B 29 20.011 0.230 8.298 1.00 0.24 C ATOM 2511 C ARG B 29 20.094 1.722 7.978 1.00 0.24 C ATOM 2512 O ARG B 29 19.756 2.560 8.791 1.00 0.25 O ATOM 2513 CB ARG B 29 21.392 -0.300 8.676 1.00 0.28 C ATOM 2514 CG ARG B 29 21.229 -1.723 9.205 1.00 0.29 C ATOM 2515 CD ARG B 29 22.583 -2.285 9.628 1.00 0.33 C ATOM 2516 NE ARG B 29 22.379 -3.707 10.027 1.00 0.38 N ATOM 2517 CZ ARG B 29 23.386 -4.442 10.402 1.00 0.88 C ATOM 2518 NH1 ARG B 29 24.572 -3.911 10.520 1.00 1.82 N ATOM 2519 NH2 ARG B 29 23.202 -5.703 10.681 1.00 0.86 N ATOM 0 H ARG B 29 20.162 -1.203 6.725 1.00 0.22 H new ATOM 0 HA ARG B 29 19.325 0.088 9.133 1.00 0.24 H new ATOM 0 HB2 ARG B 29 22.053 -0.290 7.809 1.00 0.28 H new ATOM 0 HB3 ARG B 29 21.849 0.337 9.433 1.00 0.28 H new ATOM 0 HG2 ARG B 29 20.544 -1.728 10.053 1.00 0.29 H new ATOM 0 HG3 ARG B 29 20.788 -2.357 8.436 1.00 0.29 H new ATOM 0 HD2 ARG B 29 23.298 -2.217 8.808 1.00 0.33 H new ATOM 0 HD3 ARG B 29 22.993 -1.710 10.458 1.00 0.33 H new ATOM 0 HE ARG B 29 21.441 -4.108 10.006 1.00 0.38 H new ATOM 0 HH11 ARG B 29 24.710 -2.921 10.319 1.00 1.82 H new ATOM 0 HH12 ARG B 29 25.361 -4.486 10.814 1.00 1.82 H new ATOM 0 HH21 ARG B 29 22.270 -6.111 10.605 1.00 0.86 H new ATOM 0 HH22 ARG B 29 23.990 -6.281 10.975 1.00 0.86 H new ATOM 2533 N LEU B 30 20.529 2.062 6.798 1.00 0.23 N ATOM 2534 CA LEU B 30 20.619 3.502 6.434 1.00 0.23 C ATOM 2535 C LEU B 30 19.216 4.112 6.464 1.00 0.21 C ATOM 2536 O LEU B 30 19.022 5.225 6.913 1.00 0.22 O ATOM 2537 CB LEU B 30 21.212 3.632 5.028 1.00 0.24 C ATOM 2538 CG LEU B 30 22.613 3.011 4.989 1.00 0.27 C ATOM 2539 CD1 LEU B 30 23.163 3.119 3.566 1.00 0.29 C ATOM 2540 CD2 LEU B 30 23.548 3.740 5.972 1.00 0.33 C ATOM 0 H LEU B 30 20.825 1.408 6.073 1.00 0.23 H new ATOM 0 HA LEU B 30 21.259 4.027 7.143 1.00 0.23 H new ATOM 0 HB2 LEU B 30 20.565 3.136 4.305 1.00 0.24 H new ATOM 0 HB3 LEU B 30 21.263 4.683 4.742 1.00 0.24 H new ATOM 0 HG LEU B 30 22.555 1.963 5.283 1.00 0.27 H new ATOM 0 HD11 LEU B 30 24.160 2.680 3.527 1.00 0.29 H new ATOM 0 HD12 LEU B 30 22.505 2.586 2.880 1.00 0.29 H new ATOM 0 HD13 LEU B 30 23.217 4.168 3.275 1.00 0.29 H new ATOM 0 HD21 LEU B 30 24.539 3.289 5.934 1.00 0.33 H new ATOM 0 HD22 LEU B 30 23.617 4.792 5.696 1.00 0.33 H new ATOM 0 HD23 LEU B 30 23.150 3.656 6.983 1.00 0.33 H new ATOM 2552 N THR B 31 18.235 3.392 5.994 1.00 0.19 N ATOM 2553 CA THR B 31 16.848 3.935 6.002 1.00 0.18 C ATOM 2554 C THR B 31 16.383 4.129 7.449 1.00 0.18 C ATOM 2555 O THR B 31 15.744 5.108 7.780 1.00 0.18 O ATOM 2556 CB THR B 31 15.912 2.960 5.272 1.00 0.17 C ATOM 2557 OG1 THR B 31 15.963 1.693 5.912 1.00 0.18 O ATOM 2558 CG2 THR B 31 16.337 2.801 3.800 1.00 0.19 C ATOM 0 H THR B 31 18.333 2.454 5.606 1.00 0.19 H new ATOM 0 HA THR B 31 16.828 4.897 5.491 1.00 0.18 H new ATOM 0 HB THR B 31 14.897 3.357 5.305 1.00 0.17 H new ATOM 0 HG1 THR B 31 16.801 1.614 6.415 1.00 0.18 H new ATOM 0 HG21 THR B 31 15.662 2.107 3.299 1.00 0.19 H new ATOM 0 HG22 THR B 31 16.295 3.770 3.303 1.00 0.19 H new ATOM 0 HG23 THR B 31 17.355 2.414 3.755 1.00 0.19 H new ATOM 2566 N VAL B 32 16.712 3.211 8.317 1.00 0.18 N ATOM 2567 CA VAL B 32 16.302 3.349 9.744 1.00 0.20 C ATOM 2568 C VAL B 32 16.926 4.617 10.334 1.00 0.20 C ATOM 2569 O VAL B 32 16.303 5.334 11.090 1.00 0.21 O ATOM 2570 CB VAL B 32 16.777 2.112 10.525 1.00 0.22 C ATOM 2571 CG1 VAL B 32 16.593 2.339 12.045 1.00 0.23 C ATOM 2572 CG2 VAL B 32 15.988 0.865 10.046 1.00 0.22 C ATOM 0 H VAL B 32 17.248 2.371 8.099 1.00 0.18 H new ATOM 0 HA VAL B 32 15.217 3.424 9.814 1.00 0.20 H new ATOM 0 HB VAL B 32 17.838 1.945 10.337 1.00 0.22 H new ATOM 0 HG11 VAL B 32 16.932 1.457 12.588 1.00 0.23 H new ATOM 0 HG12 VAL B 32 17.177 3.205 12.357 1.00 0.23 H new ATOM 0 HG13 VAL B 32 15.539 2.515 12.262 1.00 0.23 H new ATOM 0 HG21 VAL B 32 16.324 -0.012 10.599 1.00 0.22 H new ATOM 0 HG22 VAL B 32 14.923 1.019 10.221 1.00 0.22 H new ATOM 0 HG23 VAL B 32 16.162 0.711 8.981 1.00 0.22 H new ATOM 2582 N TRP B 33 18.156 4.892 9.998 1.00 0.21 N ATOM 2583 CA TRP B 33 18.832 6.106 10.537 1.00 0.23 C ATOM 2584 C TRP B 33 18.066 7.365 10.122 1.00 0.22 C ATOM 2585 O TRP B 33 17.864 8.263 10.914 1.00 0.23 O ATOM 2586 CB TRP B 33 20.259 6.171 9.992 1.00 0.25 C ATOM 2587 CG TRP B 33 20.937 7.400 10.506 1.00 0.27 C ATOM 2588 CD1 TRP B 33 21.445 7.546 11.751 1.00 0.32 C ATOM 2589 CD2 TRP B 33 21.195 8.653 9.807 1.00 0.27 C ATOM 2590 NE1 TRP B 33 21.994 8.811 11.867 1.00 0.33 N ATOM 2591 CE2 TRP B 33 21.867 9.532 10.697 1.00 0.31 C ATOM 2592 CE3 TRP B 33 20.913 9.109 8.501 1.00 0.26 C ATOM 2593 CZ2 TRP B 33 22.247 10.822 10.302 1.00 0.32 C ATOM 2594 CZ3 TRP B 33 21.294 10.404 8.100 1.00 0.29 C ATOM 2595 CH2 TRP B 33 21.959 11.259 8.998 1.00 0.31 C ATOM 0 H TRP B 33 18.725 4.325 9.370 1.00 0.21 H new ATOM 0 HA TRP B 33 18.855 6.051 11.625 1.00 0.23 H new ATOM 0 HB2 TRP B 33 20.815 5.283 10.294 1.00 0.25 H new ATOM 0 HB3 TRP B 33 20.243 6.181 8.902 1.00 0.25 H new ATOM 0 HD1 TRP B 33 21.425 6.797 12.529 1.00 0.32 H new ATOM 0 HE1 TRP B 33 22.438 9.167 12.713 1.00 0.33 H new ATOM 0 HE3 TRP B 33 20.402 8.460 7.805 1.00 0.26 H new ATOM 0 HZ2 TRP B 33 22.757 11.475 10.995 1.00 0.32 H new ATOM 0 HZ3 TRP B 33 21.075 10.743 7.098 1.00 0.29 H new ATOM 0 HH2 TRP B 33 22.248 12.251 8.685 1.00 0.31 H new ATOM 2606 N GLY B 34 17.644 7.450 8.889 1.00 0.22 N ATOM 2607 CA GLY B 34 16.906 8.666 8.446 1.00 0.23 C ATOM 2608 C GLY B 34 15.633 8.846 9.278 1.00 0.22 C ATOM 2609 O GLY B 34 15.327 9.933 9.727 1.00 0.23 O ATOM 0 H GLY B 34 17.778 6.735 8.174 1.00 0.22 H new ATOM 0 HA2 GLY B 34 17.543 9.544 8.549 1.00 0.23 H new ATOM 0 HA3 GLY B 34 16.650 8.580 7.390 1.00 0.23 H new ATOM 2613 N THR B 35 14.884 7.798 9.481 1.00 0.22 N ATOM 2614 CA THR B 35 13.629 7.922 10.277 1.00 0.24 C ATOM 2615 C THR B 35 13.962 8.396 11.697 1.00 0.24 C ATOM 2616 O THR B 35 13.375 9.332 12.206 1.00 0.24 O ATOM 2617 CB THR B 35 12.949 6.546 10.339 1.00 0.27 C ATOM 2618 OG1 THR B 35 12.716 6.090 9.014 1.00 0.30 O ATOM 2619 CG2 THR B 35 11.602 6.620 11.080 1.00 0.30 C ATOM 0 H THR B 35 15.086 6.861 9.131 1.00 0.22 H new ATOM 0 HA THR B 35 12.963 8.647 9.809 1.00 0.24 H new ATOM 0 HB THR B 35 13.604 5.862 10.879 1.00 0.27 H new ATOM 0 HG1 THR B 35 12.284 5.211 9.042 1.00 0.30 H new ATOM 0 HG21 THR B 35 11.146 5.630 11.106 1.00 0.30 H new ATOM 0 HG22 THR B 35 11.766 6.971 12.099 1.00 0.30 H new ATOM 0 HG23 THR B 35 10.938 7.311 10.560 1.00 0.30 H new ATOM 2627 N LYS B 36 14.897 7.752 12.339 1.00 0.25 N ATOM 2628 CA LYS B 36 15.272 8.150 13.727 1.00 0.28 C ATOM 2629 C LYS B 36 15.795 9.584 13.726 1.00 0.28 C ATOM 2630 O LYS B 36 15.524 10.359 14.622 1.00 0.30 O ATOM 2631 CB LYS B 36 16.382 7.229 14.227 1.00 0.32 C ATOM 2632 CG LYS B 36 15.825 5.815 14.422 1.00 0.47 C ATOM 2633 CD LYS B 36 16.972 4.823 14.731 1.00 0.77 C ATOM 2634 CE LYS B 36 17.199 4.638 16.247 1.00 1.44 C ATOM 2635 NZ LYS B 36 16.967 3.206 16.589 1.00 2.01 N ATOM 0 H LYS B 36 15.421 6.963 11.961 1.00 0.25 H new ATOM 0 HA LYS B 36 14.397 8.076 14.372 1.00 0.28 H new ATOM 0 HB2 LYS B 36 17.204 7.212 13.512 1.00 0.32 H new ATOM 0 HB3 LYS B 36 16.785 7.605 15.167 1.00 0.32 H new ATOM 0 HG2 LYS B 36 15.102 5.811 15.238 1.00 0.47 H new ATOM 0 HG3 LYS B 36 15.294 5.499 13.524 1.00 0.47 H new ATOM 0 HD2 LYS B 36 16.744 3.857 14.280 1.00 0.77 H new ATOM 0 HD3 LYS B 36 17.892 5.181 14.270 1.00 0.77 H new ATOM 0 HE2 LYS B 36 18.213 4.932 16.517 1.00 1.44 H new ATOM 0 HE3 LYS B 36 16.521 5.277 16.812 1.00 1.44 H new ATOM 0 HZ1 LYS B 36 17.116 3.064 17.608 1.00 2.01 H new ATOM 0 HZ2 LYS B 36 15.991 2.944 16.342 1.00 2.01 H new ATOM 0 HZ3 LYS B 36 17.631 2.610 16.056 1.00 2.01 H new ATOM 2649 N ASN B 37 16.564 9.936 12.733 1.00 0.27 N ATOM 2650 CA ASN B 37 17.126 11.312 12.683 1.00 0.30 C ATOM 2651 C ASN B 37 15.977 12.317 12.650 1.00 0.29 C ATOM 2652 O ASN B 37 16.023 13.346 13.295 1.00 0.32 O ATOM 2653 CB ASN B 37 17.984 11.465 11.426 1.00 0.32 C ATOM 2654 CG ASN B 37 18.568 12.877 11.377 1.00 0.37 C ATOM 2655 OD1 ASN B 37 18.266 13.702 12.217 1.00 0.74 O ATOM 2656 ND2 ASN B 37 19.402 13.192 10.424 1.00 0.48 N ATOM 0 H ASN B 37 16.826 9.330 11.956 1.00 0.27 H new ATOM 0 HA ASN B 37 17.744 11.493 13.562 1.00 0.30 H new ATOM 0 HB2 ASN B 37 18.787 10.728 11.429 1.00 0.32 H new ATOM 0 HB3 ASN B 37 17.382 11.278 10.537 1.00 0.32 H new ATOM 0 HD21 ASN B 37 19.800 14.130 10.384 1.00 0.48 H new ATOM 0 HD22 ASN B 37 19.656 12.500 9.719 1.00 0.48 H new ATOM 2663 N LEU B 38 14.939 12.025 11.918 1.00 0.26 N ATOM 2664 CA LEU B 38 13.789 12.967 11.868 1.00 0.27 C ATOM 2665 C LEU B 38 13.215 13.127 13.277 1.00 0.26 C ATOM 2666 O LEU B 38 12.842 14.208 13.686 1.00 0.28 O ATOM 2667 CB LEU B 38 12.706 12.410 10.940 1.00 0.26 C ATOM 2668 CG LEU B 38 13.173 12.456 9.476 1.00 0.30 C ATOM 2669 CD1 LEU B 38 12.147 11.709 8.603 1.00 0.34 C ATOM 2670 CD2 LEU B 38 13.326 13.919 9.011 1.00 0.35 C ATOM 0 H LEU B 38 14.838 11.180 11.356 1.00 0.26 H new ATOM 0 HA LEU B 38 14.124 13.933 11.491 1.00 0.27 H new ATOM 0 HB2 LEU B 38 12.472 11.383 11.221 1.00 0.26 H new ATOM 0 HB3 LEU B 38 11.789 12.989 11.053 1.00 0.26 H new ATOM 0 HG LEU B 38 14.145 11.972 9.382 1.00 0.30 H new ATOM 0 HD11 LEU B 38 12.468 11.735 7.562 1.00 0.34 H new ATOM 0 HD12 LEU B 38 12.073 10.673 8.934 1.00 0.34 H new ATOM 0 HD13 LEU B 38 11.173 12.190 8.695 1.00 0.34 H new ATOM 0 HD21 LEU B 38 13.657 13.938 7.973 1.00 0.35 H new ATOM 0 HD22 LEU B 38 12.367 14.430 9.095 1.00 0.35 H new ATOM 0 HD23 LEU B 38 14.062 14.424 9.636 1.00 0.35 H new ATOM 2682 N GLN B 39 13.137 12.057 14.022 1.00 0.26 N ATOM 2683 CA GLN B 39 12.580 12.149 15.402 1.00 0.29 C ATOM 2684 C GLN B 39 13.426 13.114 16.236 1.00 0.33 C ATOM 2685 O GLN B 39 12.907 13.901 17.003 1.00 0.35 O ATOM 2686 CB GLN B 39 12.607 10.766 16.051 1.00 0.32 C ATOM 2687 CG GLN B 39 11.977 10.830 17.444 1.00 0.40 C ATOM 2688 CD GLN B 39 11.934 9.423 18.044 1.00 0.45 C ATOM 2689 OE1 GLN B 39 12.376 8.474 17.426 1.00 0.84 O ATOM 2690 NE2 GLN B 39 11.415 9.245 19.227 1.00 0.98 N ATOM 0 H GLN B 39 13.435 11.125 13.735 1.00 0.26 H new ATOM 0 HA GLN B 39 11.554 12.514 15.354 1.00 0.29 H new ATOM 0 HB2 GLN B 39 12.065 10.053 15.430 1.00 0.32 H new ATOM 0 HB3 GLN B 39 13.634 10.409 16.123 1.00 0.32 H new ATOM 0 HG2 GLN B 39 12.554 11.495 18.087 1.00 0.40 H new ATOM 0 HG3 GLN B 39 10.970 11.242 17.382 1.00 0.40 H new ATOM 0 HE21 GLN B 39 11.044 10.041 19.746 1.00 0.98 H new ATOM 0 HE22 GLN B 39 11.380 8.310 19.633 1.00 0.98 H new ATOM 2699 N THR B 40 14.723 13.066 16.093 1.00 0.36 N ATOM 2700 CA THR B 40 15.582 13.991 16.883 1.00 0.42 C ATOM 2701 C THR B 40 15.204 15.429 16.530 1.00 0.41 C ATOM 2702 O THR B 40 15.107 16.288 17.384 1.00 0.43 O ATOM 2703 CB THR B 40 17.055 13.749 16.541 1.00 0.47 C ATOM 2704 OG1 THR B 40 17.283 14.108 15.186 1.00 0.46 O ATOM 2705 CG2 THR B 40 17.406 12.271 16.745 1.00 0.49 C ATOM 0 H THR B 40 15.221 12.432 15.468 1.00 0.36 H new ATOM 0 HA THR B 40 15.433 13.816 17.948 1.00 0.42 H new ATOM 0 HB THR B 40 17.682 14.355 17.195 1.00 0.47 H new ATOM 0 HG1 THR B 40 16.715 13.563 14.603 1.00 0.46 H new ATOM 0 HG21 THR B 40 18.455 12.109 16.499 1.00 0.49 H new ATOM 0 HG22 THR B 40 17.230 11.995 17.785 1.00 0.49 H new ATOM 0 HG23 THR B 40 16.782 11.656 16.096 1.00 0.49 H new ATOM 2713 N ARG B 41 14.971 15.691 15.273 1.00 0.39 N ATOM 2714 CA ARG B 41 14.577 17.067 14.859 1.00 0.40 C ATOM 2715 C ARG B 41 13.228 17.387 15.478 1.00 0.36 C ATOM 2716 O ARG B 41 12.976 18.487 15.928 1.00 0.37 O ATOM 2717 CB ARG B 41 14.439 17.133 13.342 1.00 0.43 C ATOM 2718 CG ARG B 41 15.823 17.018 12.726 1.00 0.55 C ATOM 2719 CD ARG B 41 15.734 17.107 11.202 1.00 0.66 C ATOM 2720 NE ARG B 41 16.964 16.486 10.636 1.00 0.89 N ATOM 2721 CZ ARG B 41 18.136 16.816 11.102 1.00 1.05 C ATOM 2722 NH1 ARG B 41 18.302 17.952 11.723 1.00 1.23 N ATOM 2723 NH2 ARG B 41 19.156 16.038 10.892 1.00 1.32 N ATOM 0 H ARG B 41 15.036 15.012 14.515 1.00 0.39 H new ATOM 0 HA ARG B 41 15.335 17.778 15.187 1.00 0.40 H new ATOM 0 HB2 ARG B 41 13.797 16.328 12.985 1.00 0.43 H new ATOM 0 HB3 ARG B 41 13.969 18.071 13.045 1.00 0.43 H new ATOM 0 HG2 ARG B 41 16.465 17.812 13.107 1.00 0.55 H new ATOM 0 HG3 ARG B 41 16.280 16.072 13.016 1.00 0.55 H new ATOM 0 HD2 ARG B 41 14.845 16.591 10.841 1.00 0.66 H new ATOM 0 HD3 ARG B 41 15.650 18.146 10.884 1.00 0.66 H new ATOM 0 HE ARG B 41 16.889 15.802 9.883 1.00 0.89 H new ATOM 0 HH11 ARG B 41 17.513 18.586 11.846 1.00 1.23 H new ATOM 0 HH12 ARG B 41 19.221 18.205 12.086 1.00 1.23 H new ATOM 0 HH21 ARG B 41 19.038 15.173 10.364 1.00 1.32 H new ATOM 0 HH22 ARG B 41 20.075 16.292 11.255 1.00 1.32 H new ATOM 2737 N VAL B 42 12.356 16.423 15.492 1.00 0.33 N ATOM 2738 CA VAL B 42 11.016 16.661 16.070 1.00 0.35 C ATOM 2739 C VAL B 42 11.176 17.061 17.534 1.00 0.38 C ATOM 2740 O VAL B 42 10.545 17.990 17.986 1.00 0.40 O ATOM 2741 CB VAL B 42 10.171 15.389 15.951 1.00 0.37 C ATOM 2742 CG1 VAL B 42 8.878 15.541 16.761 1.00 0.43 C ATOM 2743 CG2 VAL B 42 9.830 15.154 14.476 1.00 0.38 C ATOM 0 H VAL B 42 12.516 15.483 15.128 1.00 0.33 H new ATOM 0 HA VAL B 42 10.511 17.462 15.531 1.00 0.35 H new ATOM 0 HB VAL B 42 10.733 14.540 16.341 1.00 0.37 H new ATOM 0 HG11 VAL B 42 8.283 14.632 16.671 1.00 0.43 H new ATOM 0 HG12 VAL B 42 9.123 15.712 17.809 1.00 0.43 H new ATOM 0 HG13 VAL B 42 8.307 16.388 16.380 1.00 0.43 H new ATOM 0 HG21 VAL B 42 9.228 14.250 14.381 1.00 0.38 H new ATOM 0 HG22 VAL B 42 9.268 16.006 14.092 1.00 0.38 H new ATOM 0 HG23 VAL B 42 10.750 15.039 13.904 1.00 0.38 H new ATOM 2753 N THR B 43 12.021 16.389 18.275 1.00 0.39 N ATOM 2754 CA THR B 43 12.196 16.760 19.711 1.00 0.45 C ATOM 2755 C THR B 43 12.628 18.225 19.812 1.00 0.44 C ATOM 2756 O THR B 43 12.149 18.970 20.648 1.00 0.47 O ATOM 2757 CB THR B 43 13.270 15.868 20.347 1.00 0.50 C ATOM 2758 OG1 THR B 43 14.507 16.073 19.681 1.00 0.50 O ATOM 2759 CG2 THR B 43 12.868 14.388 20.241 1.00 0.51 C ATOM 0 H THR B 43 12.591 15.608 17.952 1.00 0.39 H new ATOM 0 HA THR B 43 11.251 16.621 20.236 1.00 0.45 H new ATOM 0 HB THR B 43 13.370 16.130 21.400 1.00 0.50 H new ATOM 0 HG1 THR B 43 14.380 15.966 18.715 1.00 0.50 H new ATOM 0 HG21 THR B 43 13.640 13.768 20.697 1.00 0.51 H new ATOM 0 HG22 THR B 43 11.922 14.230 20.760 1.00 0.51 H new ATOM 0 HG23 THR B 43 12.756 14.116 19.192 1.00 0.51 H new ATOM 2767 N ALA B 44 13.514 18.655 18.957 1.00 0.42 N ATOM 2768 CA ALA B 44 13.952 20.077 19.004 1.00 0.43 C ATOM 2769 C ALA B 44 12.752 20.975 18.700 1.00 0.39 C ATOM 2770 O ALA B 44 12.572 22.016 19.301 1.00 0.39 O ATOM 2771 CB ALA B 44 15.058 20.310 17.967 1.00 0.45 C ATOM 0 H ALA B 44 13.951 18.087 18.232 1.00 0.42 H new ATOM 0 HA ALA B 44 14.343 20.313 19.994 1.00 0.43 H new ATOM 0 HB1 ALA B 44 15.377 21.352 18.003 1.00 0.45 H new ATOM 0 HB2 ALA B 44 15.907 19.663 18.188 1.00 0.45 H new ATOM 0 HB3 ALA B 44 14.677 20.082 16.972 1.00 0.45 H new ATOM 2777 N ILE B 45 11.933 20.580 17.765 1.00 0.35 N ATOM 2778 CA ILE B 45 10.748 21.408 17.413 1.00 0.32 C ATOM 2779 C ILE B 45 9.774 21.484 18.601 1.00 0.32 C ATOM 2780 O ILE B 45 9.201 22.523 18.860 1.00 0.31 O ATOM 2781 CB ILE B 45 10.044 20.821 16.183 1.00 0.31 C ATOM 2782 CG1 ILE B 45 10.939 21.002 14.947 1.00 0.32 C ATOM 2783 CG2 ILE B 45 8.720 21.562 15.967 1.00 0.30 C ATOM 2784 CD1 ILE B 45 10.448 20.127 13.770 1.00 0.33 C ATOM 0 H ILE B 45 12.034 19.718 17.229 1.00 0.35 H new ATOM 0 HA ILE B 45 11.084 22.418 17.178 1.00 0.32 H new ATOM 0 HB ILE B 45 9.853 19.759 16.338 1.00 0.31 H new ATOM 0 HG12 ILE B 45 10.943 22.050 14.648 1.00 0.32 H new ATOM 0 HG13 ILE B 45 11.967 20.738 15.197 1.00 0.32 H new ATOM 0 HG21 ILE B 45 8.212 21.152 15.094 1.00 0.30 H new ATOM 0 HG22 ILE B 45 8.087 21.440 16.846 1.00 0.30 H new ATOM 0 HG23 ILE B 45 8.918 22.622 15.807 1.00 0.30 H new ATOM 0 HD11 ILE B 45 11.100 20.276 12.909 1.00 0.33 H new ATOM 0 HD12 ILE B 45 10.468 19.078 14.064 1.00 0.33 H new ATOM 0 HD13 ILE B 45 9.429 20.410 13.506 1.00 0.33 H new ATOM 2796 N GLU B 46 9.561 20.409 19.323 1.00 0.34 N ATOM 2797 CA GLU B 46 8.602 20.486 20.470 1.00 0.36 C ATOM 2798 C GLU B 46 9.067 21.593 21.402 1.00 0.38 C ATOM 2799 O GLU B 46 8.291 22.351 21.948 1.00 0.38 O ATOM 2800 CB GLU B 46 8.608 19.200 21.308 1.00 0.43 C ATOM 2801 CG GLU B 46 8.495 17.962 20.431 1.00 1.20 C ATOM 2802 CD GLU B 46 8.404 16.731 21.333 1.00 1.67 C ATOM 2803 OE1 GLU B 46 9.397 16.412 21.966 1.00 2.26 O ATOM 2804 OE2 GLU B 46 7.344 16.130 21.378 1.00 2.17 O ATOM 0 H GLU B 46 9.999 19.500 19.173 1.00 0.34 H new ATOM 0 HA GLU B 46 7.607 20.655 20.059 1.00 0.36 H new ATOM 0 HB2 GLU B 46 9.526 19.150 21.893 1.00 0.43 H new ATOM 0 HB3 GLU B 46 7.780 19.222 22.016 1.00 0.43 H new ATOM 0 HG2 GLU B 46 7.614 18.030 19.793 1.00 1.20 H new ATOM 0 HG3 GLU B 46 9.360 17.885 19.772 1.00 1.20 H new ATOM 2811 N LYS B 47 10.347 21.646 21.609 1.00 0.41 N ATOM 2812 CA LYS B 47 10.915 22.652 22.535 1.00 0.43 C ATOM 2813 C LYS B 47 10.548 24.054 22.057 1.00 0.41 C ATOM 2814 O LYS B 47 10.059 24.872 22.811 1.00 0.42 O ATOM 2815 CB LYS B 47 12.441 22.464 22.544 1.00 0.48 C ATOM 2816 CG LYS B 47 12.938 22.213 23.965 1.00 1.21 C ATOM 2817 CD LYS B 47 14.437 21.909 23.912 1.00 1.54 C ATOM 2818 CE LYS B 47 15.073 22.056 25.299 1.00 2.31 C ATOM 2819 NZ LYS B 47 16.497 22.448 25.124 1.00 2.88 N ATOM 0 H LYS B 47 11.031 21.028 21.171 1.00 0.41 H new ATOM 0 HA LYS B 47 10.517 22.526 23.542 1.00 0.43 H new ATOM 0 HB2 LYS B 47 12.714 21.626 21.903 1.00 0.48 H new ATOM 0 HB3 LYS B 47 12.925 23.350 22.134 1.00 0.48 H new ATOM 0 HG2 LYS B 47 12.751 23.086 24.591 1.00 1.21 H new ATOM 0 HG3 LYS B 47 12.398 21.378 24.413 1.00 1.21 H new ATOM 0 HD2 LYS B 47 14.594 20.896 23.541 1.00 1.54 H new ATOM 0 HD3 LYS B 47 14.925 22.585 23.210 1.00 1.54 H new ATOM 0 HE2 LYS B 47 14.542 22.808 25.882 1.00 2.31 H new ATOM 0 HE3 LYS B 47 15.003 21.118 25.850 1.00 2.31 H new ATOM 0 HZ1 LYS B 47 16.945 22.553 26.057 1.00 2.88 H new ATOM 0 HZ2 LYS B 47 16.995 21.714 24.581 1.00 2.88 H new ATOM 0 HZ3 LYS B 47 16.548 23.352 24.612 1.00 2.88 H new ATOM 2833 N TYR B 48 10.776 24.338 20.812 1.00 0.38 N ATOM 2834 CA TYR B 48 10.433 25.686 20.303 1.00 0.36 C ATOM 2835 C TYR B 48 8.918 25.890 20.413 1.00 0.32 C ATOM 2836 O TYR B 48 8.451 26.963 20.741 1.00 0.33 O ATOM 2837 CB TYR B 48 10.898 25.808 18.858 1.00 0.37 C ATOM 2838 CG TYR B 48 12.407 25.894 18.820 1.00 0.40 C ATOM 2839 CD1 TYR B 48 13.050 27.058 19.280 1.00 0.45 C ATOM 2840 CD2 TYR B 48 13.171 24.831 18.304 1.00 0.41 C ATOM 2841 CE1 TYR B 48 14.451 27.158 19.228 1.00 0.51 C ATOM 2842 CE2 TYR B 48 14.573 24.933 18.247 1.00 0.46 C ATOM 2843 CZ TYR B 48 15.213 26.096 18.710 1.00 0.51 C ATOM 2844 OH TYR B 48 16.588 26.198 18.650 1.00 0.57 O ATOM 0 H TYR B 48 11.183 23.700 20.128 1.00 0.38 H new ATOM 0 HA TYR B 48 10.932 26.456 20.892 1.00 0.36 H new ATOM 0 HB2 TYR B 48 10.557 24.948 18.281 1.00 0.37 H new ATOM 0 HB3 TYR B 48 10.461 26.694 18.398 1.00 0.37 H new ATOM 0 HD1 TYR B 48 12.466 27.876 19.674 1.00 0.45 H new ATOM 0 HD2 TYR B 48 12.681 23.936 17.951 1.00 0.41 H new ATOM 0 HE1 TYR B 48 14.942 28.051 19.586 1.00 0.51 H new ATOM 0 HE2 TYR B 48 15.158 24.118 17.847 1.00 0.46 H new ATOM 0 HH TYR B 48 16.993 25.399 19.047 1.00 0.57 H new ATOM 2854 N LEU B 49 8.147 24.858 20.184 1.00 0.30 N ATOM 2855 CA LEU B 49 6.666 24.988 20.321 1.00 0.29 C ATOM 2856 C LEU B 49 6.349 25.397 21.758 1.00 0.32 C ATOM 2857 O LEU B 49 5.472 26.201 22.025 1.00 0.32 O ATOM 2858 CB LEU B 49 5.989 23.655 19.988 1.00 0.29 C ATOM 2859 CG LEU B 49 5.996 23.385 18.468 1.00 0.25 C ATOM 2860 CD1 LEU B 49 5.433 21.978 18.189 1.00 0.27 C ATOM 2861 CD2 LEU B 49 5.129 24.412 17.716 1.00 0.25 C ATOM 0 H LEU B 49 8.478 23.933 19.909 1.00 0.30 H new ATOM 0 HA LEU B 49 6.291 25.743 19.630 1.00 0.29 H new ATOM 0 HB2 LEU B 49 6.503 22.845 20.506 1.00 0.29 H new ATOM 0 HB3 LEU B 49 4.962 23.666 20.353 1.00 0.29 H new ATOM 0 HG LEU B 49 7.026 23.464 18.120 1.00 0.25 H new ATOM 0 HD11 LEU B 49 5.439 21.790 17.115 1.00 0.27 H new ATOM 0 HD12 LEU B 49 6.050 21.233 18.691 1.00 0.27 H new ATOM 0 HD13 LEU B 49 4.411 21.914 18.563 1.00 0.27 H new ATOM 0 HD21 LEU B 49 5.154 24.196 16.648 1.00 0.25 H new ATOM 0 HD22 LEU B 49 4.101 24.353 18.075 1.00 0.25 H new ATOM 0 HD23 LEU B 49 5.518 25.415 17.892 1.00 0.25 H new ATOM 2873 N LYS B 50 7.068 24.854 22.687 1.00 0.35 N ATOM 2874 CA LYS B 50 6.829 25.212 24.105 1.00 0.39 C ATOM 2875 C LYS B 50 7.156 26.697 24.312 1.00 0.39 C ATOM 2876 O LYS B 50 6.474 27.415 25.026 1.00 0.41 O ATOM 2877 CB LYS B 50 7.734 24.345 24.975 1.00 0.44 C ATOM 2878 CG LYS B 50 7.264 24.419 26.423 1.00 1.03 C ATOM 2879 CD LYS B 50 8.028 23.393 27.267 1.00 1.21 C ATOM 2880 CE LYS B 50 7.349 23.205 28.640 1.00 1.58 C ATOM 2881 NZ LYS B 50 8.267 23.695 29.703 1.00 2.18 N ATOM 0 H LYS B 50 7.813 24.176 22.528 1.00 0.35 H new ATOM 0 HA LYS B 50 5.787 25.042 24.376 1.00 0.39 H new ATOM 0 HB2 LYS B 50 7.712 23.313 24.626 1.00 0.44 H new ATOM 0 HB3 LYS B 50 8.766 24.686 24.898 1.00 0.44 H new ATOM 0 HG2 LYS B 50 7.427 25.422 26.817 1.00 1.03 H new ATOM 0 HG3 LYS B 50 6.193 24.224 26.478 1.00 1.03 H new ATOM 0 HD2 LYS B 50 8.068 22.439 26.741 1.00 1.21 H new ATOM 0 HD3 LYS B 50 9.057 23.723 27.407 1.00 1.21 H new ATOM 0 HE2 LYS B 50 6.407 23.753 28.673 1.00 1.58 H new ATOM 0 HE3 LYS B 50 7.112 22.154 28.802 1.00 1.58 H new ATOM 0 HZ1 LYS B 50 7.818 23.572 30.633 1.00 2.18 H new ATOM 0 HZ2 LYS B 50 9.154 23.153 29.673 1.00 2.18 H new ATOM 0 HZ3 LYS B 50 8.472 24.703 29.548 1.00 2.18 H new ATOM 2895 N ASP B 51 8.208 27.156 23.692 1.00 0.38 N ATOM 2896 CA ASP B 51 8.615 28.582 23.841 1.00 0.40 C ATOM 2897 C ASP B 51 7.458 29.492 23.397 1.00 0.38 C ATOM 2898 O ASP B 51 7.220 30.529 23.974 1.00 0.40 O ATOM 2899 CB ASP B 51 9.868 28.828 22.970 1.00 0.42 C ATOM 2900 CG ASP B 51 10.957 29.597 23.737 1.00 1.29 C ATOM 2901 OD1 ASP B 51 10.677 30.094 24.815 1.00 2.07 O ATOM 2902 OD2 ASP B 51 12.061 29.677 23.223 1.00 1.96 O ATOM 0 H ASP B 51 8.808 26.599 23.083 1.00 0.38 H new ATOM 0 HA ASP B 51 8.850 28.807 24.881 1.00 0.40 H new ATOM 0 HB2 ASP B 51 10.268 27.872 22.632 1.00 0.42 H new ATOM 0 HB3 ASP B 51 9.586 29.389 22.079 1.00 0.42 H new ATOM 2907 N GLN B 52 6.734 29.115 22.381 1.00 0.36 N ATOM 2908 CA GLN B 52 5.593 29.967 21.919 1.00 0.38 C ATOM 2909 C GLN B 52 4.601 30.131 23.047 1.00 0.38 C ATOM 2910 O GLN B 52 4.204 31.226 23.390 1.00 0.40 O ATOM 2911 CB GLN B 52 4.840 29.236 20.809 1.00 0.42 C ATOM 2912 CG GLN B 52 5.473 29.499 19.436 1.00 1.31 C ATOM 2913 CD GLN B 52 5.706 28.161 18.748 1.00 2.37 C ATOM 2914 OE1 GLN B 52 4.790 27.561 18.234 1.00 3.28 O ATOM 2915 NE2 GLN B 52 6.887 27.634 18.796 1.00 2.59 N ATOM 0 H GLN B 52 6.879 28.257 21.849 1.00 0.36 H new ATOM 0 HA GLN B 52 5.988 30.926 21.584 1.00 0.38 H new ATOM 0 HB2 GLN B 52 4.839 28.165 21.012 1.00 0.42 H new ATOM 0 HB3 GLN B 52 3.799 29.559 20.799 1.00 0.42 H new ATOM 0 HG2 GLN B 52 4.819 30.127 18.831 1.00 1.31 H new ATOM 0 HG3 GLN B 52 6.415 30.036 19.550 1.00 1.31 H new ATOM 0 HE21 GLN B 52 7.656 28.144 19.231 1.00 2.59 H new ATOM 0 HE22 GLN B 52 7.049 26.708 18.399 1.00 2.59 H new ATOM 2924 N ALA B 53 4.174 29.030 23.595 1.00 0.39 N ATOM 2925 CA ALA B 53 3.174 29.090 24.685 1.00 0.45 C ATOM 2926 C ALA B 53 3.592 30.195 25.648 1.00 0.47 C ATOM 2927 O ALA B 53 2.776 30.941 26.151 1.00 0.53 O ATOM 2928 CB ALA B 53 3.130 27.735 25.382 1.00 0.50 C ATOM 0 H ALA B 53 4.477 28.092 23.333 1.00 0.39 H new ATOM 0 HA ALA B 53 2.177 29.311 24.303 1.00 0.45 H new ATOM 0 HB1 ALA B 53 2.397 27.764 26.188 1.00 0.50 H new ATOM 0 HB2 ALA B 53 2.849 26.965 24.663 1.00 0.50 H new ATOM 0 HB3 ALA B 53 4.113 27.505 25.794 1.00 0.50 H new ATOM 2934 N GLN B 54 4.868 30.323 25.878 1.00 0.45 N ATOM 2935 CA GLN B 54 5.344 31.409 26.777 1.00 0.50 C ATOM 2936 C GLN B 54 4.959 32.759 26.160 1.00 0.55 C ATOM 2937 O GLN B 54 4.542 33.669 26.849 1.00 0.62 O ATOM 2938 CB GLN B 54 6.862 31.325 26.929 1.00 0.51 C ATOM 2939 CG GLN B 54 7.340 32.370 27.934 1.00 0.58 C ATOM 2940 CD GLN B 54 8.847 32.210 28.131 1.00 0.62 C ATOM 2941 OE1 GLN B 54 9.432 31.252 27.664 1.00 0.97 O ATOM 2942 NE2 GLN B 54 9.504 33.103 28.815 1.00 1.03 N ATOM 0 H GLN B 54 5.597 29.727 25.486 1.00 0.45 H new ATOM 0 HA GLN B 54 4.886 31.305 27.761 1.00 0.50 H new ATOM 0 HB2 GLN B 54 7.148 30.328 27.263 1.00 0.51 H new ATOM 0 HB3 GLN B 54 7.343 31.488 25.964 1.00 0.51 H new ATOM 0 HG2 GLN B 54 7.111 33.373 27.574 1.00 0.58 H new ATOM 0 HG3 GLN B 54 6.820 32.246 28.884 1.00 0.58 H new ATOM 0 HE21 GLN B 54 9.014 33.907 29.207 1.00 1.03 H new ATOM 0 HE22 GLN B 54 10.508 32.998 28.958 1.00 1.03 H new ATOM 2951 N LEU B 55 5.080 32.893 24.863 1.00 0.54 N ATOM 2952 CA LEU B 55 4.704 34.180 24.209 1.00 0.62 C ATOM 2953 C LEU B 55 3.181 34.296 24.220 1.00 0.66 C ATOM 2954 O LEU B 55 2.486 33.512 23.604 1.00 0.60 O ATOM 2955 CB LEU B 55 5.194 34.200 22.755 1.00 0.60 C ATOM 2956 CG LEU B 55 6.706 33.953 22.694 1.00 0.63 C ATOM 2957 CD1 LEU B 55 7.154 33.974 21.229 1.00 0.65 C ATOM 2958 CD2 LEU B 55 7.449 35.046 23.476 1.00 0.78 C ATOM 0 H LEU B 55 5.422 32.168 24.232 1.00 0.54 H new ATOM 0 HA LEU B 55 5.161 35.010 24.748 1.00 0.62 H new ATOM 0 HB2 LEU B 55 4.671 33.437 22.178 1.00 0.60 H new ATOM 0 HB3 LEU B 55 4.958 35.161 22.299 1.00 0.60 H new ATOM 0 HG LEU B 55 6.935 32.985 23.139 1.00 0.63 H new ATOM 0 HD11 LEU B 55 8.229 33.799 21.175 1.00 0.65 H new ATOM 0 HD12 LEU B 55 6.631 33.193 20.677 1.00 0.65 H new ATOM 0 HD13 LEU B 55 6.922 34.945 20.791 1.00 0.65 H new ATOM 0 HD21 LEU B 55 8.522 34.862 23.427 1.00 0.78 H new ATOM 0 HD22 LEU B 55 7.227 36.020 23.040 1.00 0.78 H new ATOM 0 HD23 LEU B 55 7.126 35.032 24.517 1.00 0.78 H new ATOM 2970 N ASN B 56 2.661 35.262 24.927 1.00 0.78 N ATOM 2971 CA ASN B 56 1.181 35.438 25.004 1.00 0.86 C ATOM 2972 C ASN B 56 0.830 36.906 24.786 1.00 0.97 C ATOM 2973 O ASN B 56 0.196 37.274 23.817 1.00 0.92 O ATOM 2974 CB ASN B 56 0.713 35.012 26.395 1.00 0.92 C ATOM 2975 CG ASN B 56 1.308 33.642 26.722 1.00 0.85 C ATOM 2976 OD1 ASN B 56 2.143 33.522 27.595 1.00 1.37 O ATOM 2977 ND2 ASN B 56 0.913 32.597 26.047 1.00 1.36 N ATOM 0 H ASN B 56 3.202 35.943 25.459 1.00 0.78 H new ATOM 0 HA ASN B 56 0.694 34.833 24.239 1.00 0.86 H new ATOM 0 HB2 ASN B 56 1.025 35.745 27.138 1.00 0.92 H new ATOM 0 HB3 ASN B 56 -0.376 34.968 26.429 1.00 0.92 H new ATOM 0 HD21 ASN B 56 1.306 31.679 26.253 1.00 1.36 H new ATOM 0 HD22 ASN B 56 0.211 32.699 25.314 1.00 1.36 H new ATOM 2984 N ALA B 57 1.231 37.743 25.700 1.00 1.13 N ATOM 2985 CA ALA B 57 0.920 39.193 25.582 1.00 1.24 C ATOM 2986 C ALA B 57 1.997 39.991 26.323 1.00 1.36 C ATOM 2987 O ALA B 57 2.067 39.980 27.535 1.00 1.50 O ATOM 2988 CB ALA B 57 -0.466 39.429 26.202 1.00 1.33 C ATOM 0 H ALA B 57 1.765 37.483 26.529 1.00 1.13 H new ATOM 0 HA ALA B 57 0.909 39.516 24.541 1.00 1.24 H new ATOM 0 HB1 ALA B 57 -0.722 40.486 26.130 1.00 1.33 H new ATOM 0 HB2 ALA B 57 -1.209 38.838 25.667 1.00 1.33 H new ATOM 0 HB3 ALA B 57 -0.451 39.130 27.250 1.00 1.33 H new ATOM 2994 N TRP B 58 2.841 40.674 25.597 1.00 1.35 N ATOM 2995 CA TRP B 58 3.932 41.471 26.233 1.00 1.48 C ATOM 2996 C TRP B 58 3.609 42.961 26.181 1.00 1.33 C ATOM 2997 O TRP B 58 3.152 43.481 25.184 1.00 1.26 O ATOM 2998 CB TRP B 58 5.236 41.216 25.484 1.00 1.68 C ATOM 2999 CG TRP B 58 5.651 39.803 25.699 1.00 1.88 C ATOM 3000 CD1 TRP B 58 5.155 38.732 25.037 1.00 1.95 C ATOM 3001 CD2 TRP B 58 6.638 39.294 26.631 1.00 2.05 C ATOM 3002 NE1 TRP B 58 5.779 37.591 25.508 1.00 2.17 N ATOM 3003 CE2 TRP B 58 6.703 37.884 26.492 1.00 2.24 C ATOM 3004 CE3 TRP B 58 7.476 39.918 27.576 1.00 2.09 C ATOM 3005 CZ2 TRP B 58 7.577 37.116 27.271 1.00 2.44 C ATOM 3006 CZ3 TRP B 58 8.356 39.152 28.361 1.00 2.29 C ATOM 3007 CH2 TRP B 58 8.407 37.754 28.209 1.00 2.47 C ATOM 0 H TRP B 58 2.821 40.715 24.578 1.00 1.35 H new ATOM 0 HA TRP B 58 4.028 41.169 27.276 1.00 1.48 H new ATOM 0 HB2 TRP B 58 5.103 41.411 24.420 1.00 1.68 H new ATOM 0 HB3 TRP B 58 6.012 41.894 25.838 1.00 1.68 H new ATOM 0 HD1 TRP B 58 4.397 38.763 24.268 1.00 1.95 H new ATOM 0 HE1 TRP B 58 5.581 36.649 25.170 1.00 2.17 H new ATOM 0 HE3 TRP B 58 7.442 40.991 27.698 1.00 2.09 H new ATOM 0 HZ2 TRP B 58 7.613 36.043 27.152 1.00 2.44 H new ATOM 0 HZ3 TRP B 58 8.995 39.638 29.083 1.00 2.29 H new ATOM 0 HH2 TRP B 58 9.085 37.170 28.814 1.00 2.47 H new ATOM 3018 N GLY B 59 3.853 43.660 27.250 1.00 1.34 N ATOM 3019 CA GLY B 59 3.570 45.116 27.251 1.00 1.27 C ATOM 3020 C GLY B 59 2.074 45.326 27.067 1.00 1.16 C ATOM 3021 O GLY B 59 1.607 46.417 26.867 1.00 1.13 O ATOM 0 H GLY B 59 4.235 43.287 28.119 1.00 1.34 H new ATOM 0 HA2 GLY B 59 3.901 45.564 28.188 1.00 1.27 H new ATOM 0 HA3 GLY B 59 4.121 45.608 26.450 1.00 1.27 H new ATOM 3025 N ALA B 60 1.299 44.298 27.154 1.00 1.14 N ATOM 3026 CA ALA B 60 -0.158 44.496 26.992 1.00 1.11 C ATOM 3027 C ALA B 60 -0.670 45.229 28.228 1.00 1.02 C ATOM 3028 O ALA B 60 -1.750 44.989 28.667 1.00 1.06 O ATOM 3029 CB ALA B 60 -0.858 43.137 26.813 1.00 1.20 C ATOM 0 H ALA B 60 1.602 43.340 27.328 1.00 1.14 H new ATOM 0 HA ALA B 60 -0.373 45.089 26.103 1.00 1.11 H new ATOM 0 HB1 ALA B 60 -1.930 43.293 26.695 1.00 1.20 H new ATOM 0 HB2 ALA B 60 -0.464 42.638 25.927 1.00 1.20 H new ATOM 0 HB3 ALA B 60 -0.676 42.516 27.690 1.00 1.20 H new ATOM 3035 N ALA B 61 0.103 46.091 28.829 1.00 0.96 N ATOM 3036 CA ALA B 61 -0.413 46.800 30.036 1.00 0.92 C ATOM 3037 C ALA B 61 0.462 48.020 30.350 1.00 1.17 C ATOM 3038 O ALA B 61 1.615 47.876 30.703 1.00 1.25 O ATOM 3039 CB ALA B 61 -0.423 45.833 31.216 1.00 0.72 C ATOM 0 H ALA B 61 1.052 46.333 28.545 1.00 0.96 H new ATOM 0 HA ALA B 61 -1.428 47.150 29.847 1.00 0.92 H new ATOM 0 HB1 ALA B 61 -0.799 46.344 32.102 1.00 0.72 H new ATOM 0 HB2 ALA B 61 -1.067 44.985 30.986 1.00 0.72 H new ATOM 0 HB3 ALA B 61 0.590 45.478 31.404 1.00 0.72 H new ATOM 3045 N PHE B 62 -0.070 49.218 30.228 1.00 1.49 N ATOM 3046 CA PHE B 62 0.740 50.449 30.525 1.00 1.80 C ATOM 3047 C PHE B 62 0.162 51.213 31.703 1.00 1.71 C ATOM 3048 O PHE B 62 0.554 52.332 31.968 1.00 1.94 O ATOM 3049 CB PHE B 62 0.768 51.354 29.292 1.00 2.32 C ATOM 3050 CG PHE B 62 1.770 50.759 28.354 1.00 2.70 C ATOM 3051 CD1 PHE B 62 1.390 49.684 27.557 1.00 2.93 C ATOM 3052 CD2 PHE B 62 3.096 51.225 28.336 1.00 2.87 C ATOM 3053 CE1 PHE B 62 2.335 49.075 26.737 1.00 3.28 C ATOM 3054 CE2 PHE B 62 4.040 50.612 27.495 1.00 3.24 C ATOM 3055 CZ PHE B 62 3.655 49.530 26.696 1.00 3.42 C ATOM 0 H PHE B 62 -1.031 49.396 29.935 1.00 1.49 H new ATOM 0 HA PHE B 62 1.753 50.139 30.781 1.00 1.80 H new ATOM 0 HB2 PHE B 62 -0.216 51.407 28.827 1.00 2.32 H new ATOM 0 HB3 PHE B 62 1.047 52.372 29.564 1.00 2.32 H new ATOM 0 HD1 PHE B 62 0.371 49.326 27.575 1.00 2.93 H new ATOM 0 HD2 PHE B 62 3.388 52.052 28.967 1.00 2.87 H new ATOM 0 HE1 PHE B 62 2.043 48.237 26.122 1.00 3.28 H new ATOM 0 HE2 PHE B 62 5.057 50.974 27.466 1.00 3.24 H new ATOM 0 HZ PHE B 62 4.375 49.049 26.051 1.00 3.42 H new ATOM 3065 N ARG B 63 -0.728 50.614 32.438 1.00 1.43 N ATOM 3066 CA ARG B 63 -1.280 51.307 33.633 1.00 1.41 C ATOM 3067 C ARG B 63 -1.325 50.296 34.760 1.00 1.25 C ATOM 3068 O ARG B 63 -2.011 50.462 35.748 1.00 1.34 O ATOM 3069 CB ARG B 63 -2.691 51.800 33.325 1.00 1.67 C ATOM 3070 CG ARG B 63 -2.783 52.181 31.842 1.00 2.31 C ATOM 3071 CD ARG B 63 -4.064 52.989 31.569 1.00 2.72 C ATOM 3072 NE ARG B 63 -4.677 53.450 32.846 1.00 3.14 N ATOM 3073 CZ ARG B 63 -5.348 54.562 32.905 1.00 3.66 C ATOM 3074 NH1 ARG B 63 -5.477 55.315 31.848 1.00 3.89 N ATOM 3075 NH2 ARG B 63 -5.875 54.930 34.040 1.00 4.35 N ATOM 0 H ARG B 63 -1.097 49.679 32.265 1.00 1.43 H new ATOM 0 HA ARG B 63 -0.664 52.163 33.909 1.00 1.41 H new ATOM 0 HB2 ARG B 63 -3.419 51.023 33.558 1.00 1.67 H new ATOM 0 HB3 ARG B 63 -2.932 52.661 33.949 1.00 1.67 H new ATOM 0 HG2 ARG B 63 -1.909 52.767 31.557 1.00 2.31 H new ATOM 0 HG3 ARG B 63 -2.777 51.280 31.228 1.00 2.31 H new ATOM 0 HD2 ARG B 63 -3.831 53.848 30.940 1.00 2.72 H new ATOM 0 HD3 ARG B 63 -4.777 52.375 31.018 1.00 2.72 H new ATOM 0 HE ARG B 63 -4.569 52.884 33.688 1.00 3.14 H new ATOM 0 HH11 ARG B 63 -5.050 55.033 30.966 1.00 3.89 H new ATOM 0 HH12 ARG B 63 -6.005 56.186 31.904 1.00 3.89 H new ATOM 0 HH21 ARG B 63 -5.759 54.347 34.869 1.00 4.35 H new ATOM 0 HH22 ARG B 63 -6.404 55.800 34.098 1.00 4.35 H new ATOM 3089 N GLN B 64 -0.548 49.273 34.613 1.00 1.12 N ATOM 3090 CA GLN B 64 -0.460 48.223 35.648 1.00 1.12 C ATOM 3091 C GLN B 64 0.995 47.788 35.685 1.00 1.12 C ATOM 3092 O GLN B 64 1.685 47.833 34.685 1.00 1.09 O ATOM 3093 CB GLN B 64 -1.359 47.033 35.275 1.00 1.17 C ATOM 3094 CG GLN B 64 -2.859 47.421 35.347 1.00 1.37 C ATOM 3095 CD GLN B 64 -3.510 47.464 33.953 1.00 1.77 C ATOM 3096 OE1 GLN B 64 -2.777 47.624 32.884 1.00 2.44 O flip ATOM 3097 NE2 GLN B 64 -4.715 47.354 33.840 1.00 1.84 N flip ATOM 0 H GLN B 64 0.045 49.117 33.798 1.00 1.12 H new ATOM 0 HA GLN B 64 -0.791 48.592 36.619 1.00 1.12 H new ATOM 0 HB2 GLN B 64 -1.117 46.692 34.269 1.00 1.17 H new ATOM 0 HB3 GLN B 64 -1.163 46.200 35.950 1.00 1.17 H new ATOM 0 HG2 GLN B 64 -3.390 46.704 35.973 1.00 1.37 H new ATOM 0 HG3 GLN B 64 -2.959 48.396 35.824 1.00 1.37 H new ATOM 0 HE21 GLN B 64 -5.296 47.229 34.669 1.00 1.84 H new ATOM 0 HE22 GLN B 64 -5.146 47.387 32.916 1.00 1.84 H new ATOM 3106 N VAL B 65 1.470 47.370 36.816 1.00 1.28 N ATOM 3107 CA VAL B 65 2.887 46.933 36.912 1.00 1.44 C ATOM 3108 C VAL B 65 2.889 45.410 36.941 1.00 1.49 C ATOM 3109 O VAL B 65 3.350 44.786 37.876 1.00 1.72 O ATOM 3110 CB VAL B 65 3.475 47.507 38.204 1.00 1.71 C ATOM 3111 CG1 VAL B 65 5.017 47.402 38.196 1.00 1.94 C ATOM 3112 CG2 VAL B 65 3.033 48.977 38.328 1.00 1.67 C ATOM 0 H VAL B 65 0.938 47.311 37.684 1.00 1.28 H new ATOM 0 HA VAL B 65 3.486 47.282 36.071 1.00 1.44 H new ATOM 0 HB VAL B 65 3.111 46.937 39.059 1.00 1.71 H new ATOM 0 HG11 VAL B 65 5.415 47.815 39.123 1.00 1.94 H new ATOM 0 HG12 VAL B 65 5.310 46.356 38.110 1.00 1.94 H new ATOM 0 HG13 VAL B 65 5.415 47.961 37.349 1.00 1.94 H new ATOM 0 HG21 VAL B 65 3.442 49.404 39.243 1.00 1.67 H new ATOM 0 HG22 VAL B 65 3.399 49.541 37.470 1.00 1.67 H new ATOM 0 HG23 VAL B 65 1.945 49.028 38.359 1.00 1.67 H new ATOM 3122 N ALA B 66 2.354 44.815 35.907 1.00 1.30 N ATOM 3123 CA ALA B 66 2.290 43.331 35.838 1.00 1.38 C ATOM 3124 C ALA B 66 2.361 42.882 34.375 1.00 1.17 C ATOM 3125 O ALA B 66 2.036 43.621 33.466 1.00 1.01 O ATOM 3126 CB ALA B 66 0.967 42.866 36.468 1.00 1.51 C ATOM 0 H ALA B 66 1.956 45.300 35.103 1.00 1.30 H new ATOM 0 HA ALA B 66 3.128 42.894 36.380 1.00 1.38 H new ATOM 0 HB1 ALA B 66 0.906 41.779 36.425 1.00 1.51 H new ATOM 0 HB2 ALA B 66 0.925 43.191 37.508 1.00 1.51 H new ATOM 0 HB3 ALA B 66 0.131 43.299 35.919 1.00 1.51 H new ATOM 3132 N HIS B 67 2.764 41.661 34.156 1.00 1.22 N ATOM 3133 CA HIS B 67 2.849 41.100 32.775 1.00 1.05 C ATOM 3134 C HIS B 67 2.103 39.769 32.770 1.00 1.10 C ATOM 3135 O HIS B 67 2.262 38.965 33.668 1.00 1.27 O ATOM 3136 CB HIS B 67 4.316 40.901 32.384 1.00 1.10 C ATOM 3137 CG HIS B 67 4.922 42.236 32.041 1.00 1.12 C ATOM 3138 ND1 HIS B 67 6.176 42.620 32.492 1.00 1.35 N ATOM 3139 CD2 HIS B 67 4.452 43.294 31.296 1.00 1.02 C ATOM 3140 CE1 HIS B 67 6.417 43.858 32.022 1.00 1.38 C ATOM 3141 NE2 HIS B 67 5.399 44.311 31.289 1.00 1.19 N ATOM 0 H HIS B 67 3.045 41.013 34.892 1.00 1.22 H new ATOM 0 HA HIS B 67 2.401 41.781 32.051 1.00 1.05 H new ATOM 0 HB2 HIS B 67 4.864 40.439 33.205 1.00 1.10 H new ATOM 0 HB3 HIS B 67 4.389 40.225 31.532 1.00 1.10 H new ATOM 0 HD2 HIS B 67 3.496 43.328 30.795 1.00 1.02 H new ATOM 0 HE1 HIS B 67 7.322 44.415 32.214 1.00 1.38 H new ATOM 0 HE2 HIS B 67 5.330 45.215 30.821 1.00 1.19 H new ATOM 3149 N THR B 68 1.260 39.534 31.798 1.00 1.01 N ATOM 3150 CA THR B 68 0.482 38.260 31.791 1.00 1.12 C ATOM 3151 C THR B 68 1.214 37.201 30.963 1.00 0.99 C ATOM 3152 O THR B 68 1.378 37.323 29.766 1.00 0.86 O ATOM 3153 CB THR B 68 -0.911 38.530 31.204 1.00 1.20 C ATOM 3154 OG1 THR B 68 -1.596 37.296 31.041 1.00 1.39 O ATOM 3155 CG2 THR B 68 -0.817 39.249 29.844 1.00 1.09 C ATOM 0 H THR B 68 1.078 40.163 31.016 1.00 1.01 H new ATOM 0 HA THR B 68 0.380 37.886 32.810 1.00 1.12 H new ATOM 0 HB THR B 68 -1.455 39.177 31.892 1.00 1.20 H new ATOM 0 HG1 THR B 68 -2.487 37.463 30.668 1.00 1.39 H new ATOM 0 HG21 THR B 68 -1.820 39.425 29.456 1.00 1.09 H new ATOM 0 HG22 THR B 68 -0.304 40.202 29.971 1.00 1.09 H new ATOM 0 HG23 THR B 68 -0.260 38.628 29.142 1.00 1.09 H new ATOM 3163 N THR B 69 1.655 36.154 31.613 1.00 1.06 N ATOM 3164 CA THR B 69 2.384 35.054 30.912 1.00 0.95 C ATOM 3165 C THR B 69 1.523 33.792 30.949 1.00 0.99 C ATOM 3166 O THR B 69 1.128 33.329 32.000 1.00 1.16 O ATOM 3167 CB THR B 69 3.723 34.788 31.614 1.00 1.05 C ATOM 3168 OG1 THR B 69 4.332 33.649 31.024 1.00 1.09 O ATOM 3169 CG2 THR B 69 3.522 34.532 33.121 1.00 1.28 C ATOM 0 H THR B 69 1.539 36.013 32.616 1.00 1.06 H new ATOM 0 HA THR B 69 2.579 35.340 29.878 1.00 0.95 H new ATOM 0 HB THR B 69 4.357 35.667 31.498 1.00 1.05 H new ATOM 0 HG1 THR B 69 5.189 33.471 31.464 1.00 1.09 H new ATOM 0 HG21 THR B 69 4.488 34.347 33.591 1.00 1.28 H new ATOM 0 HG22 THR B 69 3.057 35.405 33.579 1.00 1.28 H new ATOM 0 HG23 THR B 69 2.879 33.663 33.260 1.00 1.28 H new ATOM 3177 N VAL B 70 1.213 33.245 29.804 1.00 0.89 N ATOM 3178 CA VAL B 70 0.357 32.021 29.744 1.00 0.97 C ATOM 3179 C VAL B 70 1.078 30.933 28.942 1.00 0.85 C ATOM 3180 O VAL B 70 0.853 30.781 27.757 1.00 0.80 O ATOM 3181 CB VAL B 70 -0.962 32.378 29.048 1.00 1.07 C ATOM 3182 CG1 VAL B 70 -1.887 31.139 28.950 1.00 1.24 C ATOM 3183 CG2 VAL B 70 -1.645 33.494 29.850 1.00 1.18 C ATOM 0 H VAL B 70 1.519 33.597 28.897 1.00 0.89 H new ATOM 0 HA VAL B 70 0.160 31.654 30.751 1.00 0.97 H new ATOM 0 HB VAL B 70 -0.760 32.718 28.032 1.00 1.07 H new ATOM 0 HG11 VAL B 70 -2.816 31.417 28.453 1.00 1.24 H new ATOM 0 HG12 VAL B 70 -1.389 30.357 28.377 1.00 1.24 H new ATOM 0 HG13 VAL B 70 -2.108 30.770 29.951 1.00 1.24 H new ATOM 0 HG21 VAL B 70 -2.586 33.763 29.371 1.00 1.18 H new ATOM 0 HG22 VAL B 70 -1.841 33.146 30.864 1.00 1.18 H new ATOM 0 HG23 VAL B 70 -0.994 34.367 29.886 1.00 1.18 H new ATOM 3193 N PRO B 71 1.936 30.175 29.580 1.00 0.84 N ATOM 3194 CA PRO B 71 2.687 29.084 28.909 1.00 0.75 C ATOM 3195 C PRO B 71 1.847 27.809 28.800 1.00 0.74 C ATOM 3196 O PRO B 71 2.170 26.783 29.366 1.00 0.78 O ATOM 3197 CB PRO B 71 3.907 28.886 29.811 1.00 0.84 C ATOM 3198 CG PRO B 71 3.440 29.263 31.184 1.00 0.99 C ATOM 3199 CD PRO B 71 2.289 30.269 31.008 1.00 0.98 C ATOM 0 HA PRO B 71 2.959 29.325 27.881 1.00 0.75 H new ATOM 0 HB2 PRO B 71 4.255 27.854 29.782 1.00 0.84 H new ATOM 0 HB3 PRO B 71 4.740 29.513 29.492 1.00 0.84 H new ATOM 0 HG2 PRO B 71 3.103 28.383 31.732 1.00 0.99 H new ATOM 0 HG3 PRO B 71 4.253 29.704 31.760 1.00 0.99 H new ATOM 0 HD2 PRO B 71 1.441 30.018 31.645 1.00 0.98 H new ATOM 0 HD3 PRO B 71 2.600 31.279 31.275 1.00 0.98 H new ATOM 3207 N TRP B 72 0.767 27.878 28.070 1.00 0.72 N ATOM 3208 CA TRP B 72 -0.114 26.689 27.908 1.00 0.75 C ATOM 3209 C TRP B 72 0.616 25.641 27.060 1.00 0.68 C ATOM 3210 O TRP B 72 1.134 25.970 26.016 1.00 0.60 O ATOM 3211 CB TRP B 72 -1.388 27.115 27.177 1.00 0.78 C ATOM 3212 CG TRP B 72 -2.393 26.012 27.245 1.00 0.84 C ATOM 3213 CD1 TRP B 72 -3.061 25.644 28.361 1.00 0.94 C ATOM 3214 CD2 TRP B 72 -2.854 25.130 26.180 1.00 0.84 C ATOM 3215 NE1 TRP B 72 -3.905 24.593 28.054 1.00 0.99 N ATOM 3216 CE2 TRP B 72 -3.816 24.238 26.723 1.00 0.94 C ATOM 3217 CE3 TRP B 72 -2.537 25.016 24.808 1.00 0.79 C ATOM 3218 CZ2 TRP B 72 -4.442 23.266 25.932 1.00 0.97 C ATOM 3219 CZ3 TRP B 72 -3.164 24.040 24.010 1.00 0.84 C ATOM 3220 CH2 TRP B 72 -4.115 23.167 24.570 1.00 0.92 C ATOM 0 H TRP B 72 0.456 28.714 27.576 1.00 0.72 H new ATOM 0 HA TRP B 72 -0.363 26.272 28.884 1.00 0.75 H new ATOM 0 HB2 TRP B 72 -1.794 28.020 27.629 1.00 0.78 H new ATOM 0 HB3 TRP B 72 -1.162 27.352 26.137 1.00 0.78 H new ATOM 0 HD1 TRP B 72 -2.953 26.098 29.335 1.00 0.94 H new ATOM 0 HE1 TRP B 72 -4.518 24.136 28.729 1.00 0.99 H new ATOM 0 HE3 TRP B 72 -1.809 25.682 24.368 1.00 0.79 H new ATOM 0 HZ2 TRP B 72 -5.171 22.598 26.366 1.00 0.97 H new ATOM 0 HZ3 TRP B 72 -2.914 23.961 22.962 1.00 0.84 H new ATOM 0 HH2 TRP B 72 -4.593 22.421 23.952 1.00 0.92 H new ATOM 3231 N PRO B 73 0.674 24.397 27.473 1.00 0.71 N ATOM 3232 CA PRO B 73 1.378 23.349 26.685 1.00 0.66 C ATOM 3233 C PRO B 73 1.144 23.523 25.182 1.00 0.58 C ATOM 3234 O PRO B 73 0.098 23.981 24.765 1.00 0.61 O ATOM 3235 CB PRO B 73 0.745 22.050 27.191 1.00 0.75 C ATOM 3236 CG PRO B 73 0.371 22.333 28.614 1.00 0.85 C ATOM 3237 CD PRO B 73 0.084 23.841 28.705 1.00 0.82 C ATOM 0 HA PRO B 73 2.460 23.381 26.812 1.00 0.66 H new ATOM 0 HB2 PRO B 73 -0.129 21.780 26.599 1.00 0.75 H new ATOM 0 HB3 PRO B 73 1.445 21.217 27.124 1.00 0.75 H new ATOM 0 HG2 PRO B 73 -0.505 21.754 28.906 1.00 0.85 H new ATOM 0 HG3 PRO B 73 1.179 22.051 29.290 1.00 0.85 H new ATOM 0 HD2 PRO B 73 -0.986 24.040 28.759 1.00 0.82 H new ATOM 0 HD3 PRO B 73 0.535 24.279 29.595 1.00 0.82 H new ATOM 3245 N ASN B 74 2.102 23.160 24.367 1.00 0.52 N ATOM 3246 CA ASN B 74 1.930 23.300 22.887 1.00 0.48 C ATOM 3247 C ASN B 74 2.258 21.970 22.219 1.00 0.50 C ATOM 3248 O ASN B 74 1.509 21.463 21.421 1.00 0.80 O ATOM 3249 CB ASN B 74 2.873 24.377 22.345 1.00 0.47 C ATOM 3250 CG ASN B 74 2.520 24.651 20.881 1.00 0.53 C ATOM 3251 OD1 ASN B 74 1.895 25.750 20.562 1.00 1.17 O flip ATOM 3252 ND2 ASN B 74 2.811 23.853 20.015 1.00 1.26 N flip ATOM 0 H ASN B 74 2.998 22.772 24.662 1.00 0.52 H new ATOM 0 HA ASN B 74 0.900 23.586 22.673 1.00 0.48 H new ATOM 0 HB2 ASN B 74 2.780 25.290 22.933 1.00 0.47 H new ATOM 0 HB3 ASN B 74 3.909 24.048 22.428 1.00 0.47 H new ATOM 0 HD21 ASN B 74 3.300 22.992 20.259 1.00 1.26 H new ATOM 0 HD22 ASN B 74 2.567 24.043 19.043 1.00 1.26 H new ATOM 3259 N ALA B 75 3.374 21.391 22.542 1.00 0.47 N ATOM 3260 CA ALA B 75 3.742 20.090 21.923 1.00 0.47 C ATOM 3261 C ALA B 75 3.215 18.960 22.799 1.00 0.46 C ATOM 3262 O ALA B 75 3.516 18.888 23.974 1.00 0.47 O ATOM 3263 CB ALA B 75 5.262 19.990 21.818 1.00 0.53 C ATOM 0 H ALA B 75 4.051 21.762 23.209 1.00 0.47 H new ATOM 0 HA ALA B 75 3.307 20.017 20.926 1.00 0.47 H new ATOM 0 HB1 ALA B 75 5.533 19.037 21.364 1.00 0.53 H new ATOM 0 HB2 ALA B 75 5.639 20.806 21.201 1.00 0.53 H new ATOM 0 HB3 ALA B 75 5.701 20.056 22.814 1.00 0.53 H new ATOM 3269 N SER B 76 2.435 18.071 22.250 1.00 0.47 N ATOM 3270 CA SER B 76 1.915 16.960 23.087 1.00 0.49 C ATOM 3271 C SER B 76 3.024 15.922 23.190 1.00 0.48 C ATOM 3272 O SER B 76 3.322 15.205 22.255 1.00 0.49 O ATOM 3273 CB SER B 76 0.684 16.339 22.423 1.00 0.54 C ATOM 3274 OG SER B 76 0.575 14.978 22.817 1.00 1.38 O ATOM 0 H SER B 76 2.140 18.066 21.274 1.00 0.47 H new ATOM 0 HA SER B 76 1.624 17.320 24.074 1.00 0.49 H new ATOM 0 HB2 SER B 76 -0.214 16.886 22.711 1.00 0.54 H new ATOM 0 HB3 SER B 76 0.767 16.410 21.338 1.00 0.54 H new ATOM 0 HG SER B 76 -0.213 14.577 22.395 1.00 1.38 H new ATOM 3280 N LEU B 77 3.665 15.877 24.321 1.00 0.50 N ATOM 3281 CA LEU B 77 4.794 14.933 24.508 1.00 0.53 C ATOM 3282 C LEU B 77 4.263 13.540 24.814 1.00 0.52 C ATOM 3283 O LEU B 77 3.375 13.358 25.623 1.00 0.56 O ATOM 3284 CB LEU B 77 5.661 15.426 25.669 1.00 0.61 C ATOM 3285 CG LEU B 77 5.993 16.916 25.480 1.00 0.65 C ATOM 3286 CD1 LEU B 77 6.750 17.440 26.715 1.00 0.75 C ATOM 3287 CD2 LEU B 77 6.846 17.102 24.216 1.00 0.66 C ATOM 0 H LEU B 77 3.452 16.460 25.131 1.00 0.50 H new ATOM 0 HA LEU B 77 5.389 14.886 23.596 1.00 0.53 H new ATOM 0 HB2 LEU B 77 5.137 15.278 26.613 1.00 0.61 H new ATOM 0 HB3 LEU B 77 6.581 14.843 25.720 1.00 0.61 H new ATOM 0 HG LEU B 77 5.068 17.481 25.367 1.00 0.65 H new ATOM 0 HD11 LEU B 77 6.984 18.496 26.578 1.00 0.75 H new ATOM 0 HD12 LEU B 77 6.128 17.318 27.602 1.00 0.75 H new ATOM 0 HD13 LEU B 77 7.675 16.877 26.841 1.00 0.75 H new ATOM 0 HD21 LEU B 77 7.079 18.159 24.086 1.00 0.66 H new ATOM 0 HD22 LEU B 77 7.772 16.536 24.316 1.00 0.66 H new ATOM 0 HD23 LEU B 77 6.293 16.743 23.348 1.00 0.66 H new ATOM 3299 N THR B 78 4.824 12.555 24.175 1.00 0.51 N ATOM 3300 CA THR B 78 4.390 11.155 24.418 1.00 0.51 C ATOM 3301 C THR B 78 5.311 10.542 25.481 1.00 0.58 C ATOM 3302 O THR B 78 6.484 10.347 25.239 1.00 0.66 O ATOM 3303 CB THR B 78 4.506 10.359 23.118 1.00 0.55 C ATOM 3304 OG1 THR B 78 4.079 9.029 23.367 1.00 0.61 O ATOM 3305 CG2 THR B 78 5.957 10.368 22.612 1.00 0.63 C ATOM 0 H THR B 78 5.571 12.661 23.489 1.00 0.51 H new ATOM 0 HA THR B 78 3.356 11.131 24.761 1.00 0.51 H new ATOM 0 HB THR B 78 3.880 10.812 22.349 1.00 0.55 H new ATOM 0 HG1 THR B 78 3.224 8.870 22.915 1.00 0.61 H new ATOM 0 HG21 THR B 78 6.023 9.797 21.686 1.00 0.63 H new ATOM 0 HG22 THR B 78 6.272 11.395 22.428 1.00 0.63 H new ATOM 0 HG23 THR B 78 6.607 9.918 23.363 1.00 0.63 H new ATOM 3313 N PRO B 79 4.822 10.247 26.658 1.00 0.66 N ATOM 3314 CA PRO B 79 5.667 9.659 27.725 1.00 0.77 C ATOM 3315 C PRO B 79 5.672 8.128 27.716 1.00 0.68 C ATOM 3316 O PRO B 79 6.694 7.504 27.924 1.00 0.70 O ATOM 3317 CB PRO B 79 4.982 10.168 28.991 1.00 0.99 C ATOM 3318 CG PRO B 79 3.526 10.150 28.647 1.00 0.97 C ATOM 3319 CD PRO B 79 3.437 10.441 27.139 1.00 0.75 C ATOM 0 HA PRO B 79 6.715 9.938 27.618 1.00 0.77 H new ATOM 0 HB2 PRO B 79 5.198 9.528 29.846 1.00 0.99 H new ATOM 0 HB3 PRO B 79 5.318 11.172 29.251 1.00 0.99 H new ATOM 0 HG2 PRO B 79 3.082 9.183 28.884 1.00 0.97 H new ATOM 0 HG3 PRO B 79 2.981 10.900 29.221 1.00 0.97 H new ATOM 0 HD2 PRO B 79 2.743 9.764 26.642 1.00 0.75 H new ATOM 0 HD3 PRO B 79 3.086 11.455 26.948 1.00 0.75 H new ATOM 3327 N LYS B 80 4.519 7.528 27.558 1.00 0.66 N ATOM 3328 CA LYS B 80 4.421 6.033 27.630 1.00 0.67 C ATOM 3329 C LYS B 80 3.853 5.378 26.364 1.00 0.64 C ATOM 3330 O LYS B 80 4.428 4.456 25.819 1.00 0.65 O ATOM 3331 CB LYS B 80 3.423 5.724 28.758 1.00 0.79 C ATOM 3332 CG LYS B 80 4.110 5.223 30.022 1.00 1.31 C ATOM 3333 CD LYS B 80 2.996 4.962 31.029 1.00 1.46 C ATOM 3334 CE LYS B 80 3.565 4.507 32.366 1.00 2.32 C ATOM 3335 NZ LYS B 80 2.423 4.203 33.271 1.00 2.97 N ATOM 0 H LYS B 80 3.637 8.009 27.382 1.00 0.66 H new ATOM 0 HA LYS B 80 5.428 5.644 27.777 1.00 0.67 H new ATOM 0 HB2 LYS B 80 2.852 6.623 28.990 1.00 0.79 H new ATOM 0 HB3 LYS B 80 2.711 4.974 28.414 1.00 0.79 H new ATOM 0 HG2 LYS B 80 4.678 4.314 29.824 1.00 1.31 H new ATOM 0 HG3 LYS B 80 4.815 5.962 30.402 1.00 1.31 H new ATOM 0 HD2 LYS B 80 2.408 5.869 31.170 1.00 1.46 H new ATOM 0 HD3 LYS B 80 2.320 4.201 30.640 1.00 1.46 H new ATOM 0 HE2 LYS B 80 4.192 3.625 32.233 1.00 2.32 H new ATOM 0 HE3 LYS B 80 4.196 5.285 32.796 1.00 2.32 H new ATOM 0 HZ1 LYS B 80 2.785 3.889 34.194 1.00 2.97 H new ATOM 0 HZ2 LYS B 80 1.844 5.058 33.399 1.00 2.97 H new ATOM 0 HZ3 LYS B 80 1.840 3.450 32.853 1.00 2.97 H new ATOM 3349 N TRP B 81 2.676 5.770 25.969 1.00 0.65 N ATOM 3350 CA TRP B 81 2.018 5.073 24.829 1.00 0.67 C ATOM 3351 C TRP B 81 2.952 4.963 23.626 1.00 0.62 C ATOM 3352 O TRP B 81 3.096 3.902 23.053 1.00 0.64 O ATOM 3353 CB TRP B 81 0.706 5.775 24.461 1.00 0.73 C ATOM 3354 CG TRP B 81 0.958 7.009 23.658 1.00 0.69 C ATOM 3355 CD1 TRP B 81 1.303 7.028 22.351 1.00 0.70 C ATOM 3356 CD2 TRP B 81 0.855 8.400 24.077 1.00 0.68 C ATOM 3357 NE1 TRP B 81 1.433 8.342 21.940 1.00 0.68 N ATOM 3358 CE2 TRP B 81 1.164 9.227 22.965 1.00 0.66 C ATOM 3359 CE3 TRP B 81 0.531 9.019 25.303 1.00 0.71 C ATOM 3360 CZ2 TRP B 81 1.149 10.625 23.067 1.00 0.66 C ATOM 3361 CZ3 TRP B 81 0.514 10.424 25.410 1.00 0.72 C ATOM 3362 CH2 TRP B 81 0.821 11.224 24.294 1.00 0.68 C ATOM 0 H TRP B 81 2.144 6.536 26.381 1.00 0.65 H new ATOM 0 HA TRP B 81 1.783 4.056 25.142 1.00 0.67 H new ATOM 0 HB2 TRP B 81 0.072 5.093 23.894 1.00 0.73 H new ATOM 0 HB3 TRP B 81 0.162 6.034 25.370 1.00 0.73 H new ATOM 0 HD1 TRP B 81 1.453 6.158 21.729 1.00 0.70 H new ATOM 0 HE1 TRP B 81 1.695 8.623 20.995 1.00 0.68 H new ATOM 0 HE3 TRP B 81 0.295 8.412 26.165 1.00 0.71 H new ATOM 0 HZ2 TRP B 81 1.388 11.236 22.209 1.00 0.66 H new ATOM 0 HZ3 TRP B 81 0.264 10.889 26.352 1.00 0.72 H new ATOM 0 HH2 TRP B 81 0.804 12.300 24.381 1.00 0.68 H new ATOM 3373 N ASN B 82 3.599 6.016 23.229 1.00 0.59 N ATOM 3374 CA ASN B 82 4.510 5.887 22.060 1.00 0.59 C ATOM 3375 C ASN B 82 5.804 5.195 22.473 1.00 0.53 C ATOM 3376 O ASN B 82 6.320 4.341 21.780 1.00 0.49 O ATOM 3377 CB ASN B 82 4.886 7.253 21.516 1.00 0.69 C ATOM 3378 CG ASN B 82 5.674 7.046 20.229 1.00 1.07 C ATOM 3379 OD1 ASN B 82 6.464 7.990 19.803 1.00 0.96 O flip ATOM 3380 ND2 ASN B 82 5.562 6.014 19.596 1.00 1.86 N flip ATOM 0 H ASN B 82 3.542 6.943 23.651 1.00 0.59 H new ATOM 0 HA ASN B 82 3.984 5.308 21.301 1.00 0.59 H new ATOM 0 HB2 ASN B 82 3.992 7.846 21.324 1.00 0.69 H new ATOM 0 HB3 ASN B 82 5.483 7.802 22.244 1.00 0.69 H new ATOM 0 HD21 ASN B 82 4.943 5.275 19.930 1.00 1.86 H new ATOM 0 HD22 ASN B 82 6.087 5.887 18.731 1.00 1.86 H new ATOM 3387 N ASN B 83 6.351 5.597 23.584 1.00 0.56 N ATOM 3388 CA ASN B 83 7.639 5.012 24.036 1.00 0.57 C ATOM 3389 C ASN B 83 7.510 3.496 24.160 1.00 0.53 C ATOM 3390 O ASN B 83 8.308 2.752 23.630 1.00 0.52 O ATOM 3391 CB ASN B 83 7.992 5.600 25.402 1.00 0.66 C ATOM 3392 CG ASN B 83 9.417 5.198 25.782 1.00 1.22 C ATOM 3393 OD1 ASN B 83 9.722 4.028 25.893 1.00 1.99 O ATOM 3394 ND2 ASN B 83 10.307 6.129 25.985 1.00 1.84 N ATOM 0 H ASN B 83 5.959 6.309 24.200 1.00 0.56 H new ATOM 0 HA ASN B 83 8.419 5.244 23.311 1.00 0.57 H new ATOM 0 HB2 ASN B 83 7.905 6.686 25.375 1.00 0.66 H new ATOM 0 HB3 ASN B 83 7.290 5.243 26.155 1.00 0.66 H new ATOM 0 HD21 ASN B 83 11.262 5.875 26.238 1.00 1.84 H new ATOM 0 HD22 ASN B 83 10.048 7.111 25.891 1.00 1.84 H new ATOM 3401 N GLU B 84 6.516 3.033 24.857 1.00 0.53 N ATOM 3402 CA GLU B 84 6.349 1.565 25.018 1.00 0.52 C ATOM 3403 C GLU B 84 6.143 0.923 23.642 1.00 0.47 C ATOM 3404 O GLU B 84 6.728 -0.093 23.326 1.00 0.48 O ATOM 3405 CB GLU B 84 5.134 1.309 25.928 1.00 0.56 C ATOM 3406 CG GLU B 84 5.407 0.142 26.883 1.00 1.26 C ATOM 3407 CD GLU B 84 4.240 0.012 27.862 1.00 1.71 C ATOM 3408 OE1 GLU B 84 4.103 0.882 28.706 1.00 2.23 O ATOM 3409 OE2 GLU B 84 3.504 -0.955 27.752 1.00 2.29 O ATOM 0 H GLU B 84 5.812 3.606 25.322 1.00 0.53 H new ATOM 0 HA GLU B 84 7.237 1.125 25.472 1.00 0.52 H new ATOM 0 HB2 GLU B 84 4.907 2.208 26.501 1.00 0.56 H new ATOM 0 HB3 GLU B 84 4.257 1.089 25.319 1.00 0.56 H new ATOM 0 HG2 GLU B 84 5.530 -0.783 26.320 1.00 1.26 H new ATOM 0 HG3 GLU B 84 6.337 0.311 27.427 1.00 1.26 H new ATOM 3416 N THR B 85 5.316 1.511 22.823 1.00 0.44 N ATOM 3417 CA THR B 85 5.077 0.934 21.473 1.00 0.42 C ATOM 3418 C THR B 85 6.340 1.076 20.623 1.00 0.38 C ATOM 3419 O THR B 85 6.687 0.192 19.866 1.00 0.39 O ATOM 3420 CB THR B 85 3.919 1.672 20.800 1.00 0.45 C ATOM 3421 OG1 THR B 85 4.153 3.068 20.869 1.00 0.43 O ATOM 3422 CG2 THR B 85 2.610 1.332 21.515 1.00 0.50 C ATOM 0 H THR B 85 4.797 2.364 23.030 1.00 0.44 H new ATOM 0 HA THR B 85 4.825 -0.122 21.570 1.00 0.42 H new ATOM 0 HB THR B 85 3.846 1.366 19.756 1.00 0.45 H new ATOM 0 HG1 THR B 85 3.832 3.411 21.729 1.00 0.43 H new ATOM 0 HG21 THR B 85 1.785 1.859 21.034 1.00 0.50 H new ATOM 0 HG22 THR B 85 2.435 0.258 21.462 1.00 0.50 H new ATOM 0 HG23 THR B 85 2.676 1.637 22.559 1.00 0.50 H new ATOM 3430 N TRP B 86 7.034 2.179 20.733 1.00 0.36 N ATOM 3431 CA TRP B 86 8.266 2.346 19.914 1.00 0.34 C ATOM 3432 C TRP B 86 9.311 1.325 20.362 1.00 0.34 C ATOM 3433 O TRP B 86 10.008 0.747 19.551 1.00 0.33 O ATOM 3434 CB TRP B 86 8.840 3.760 20.060 1.00 0.34 C ATOM 3435 CG TRP B 86 9.784 4.007 18.924 1.00 0.32 C ATOM 3436 CD1 TRP B 86 11.132 3.888 18.977 1.00 0.34 C ATOM 3437 CD2 TRP B 86 9.459 4.391 17.559 1.00 0.29 C ATOM 3438 NE1 TRP B 86 11.656 4.174 17.726 1.00 0.33 N ATOM 3439 CE2 TRP B 86 10.665 4.492 16.816 1.00 0.29 C ATOM 3440 CE3 TRP B 86 8.242 4.660 16.900 1.00 0.28 C ATOM 3441 CZ2 TRP B 86 10.659 4.847 15.458 1.00 0.28 C ATOM 3442 CZ3 TRP B 86 8.231 5.019 15.540 1.00 0.27 C ATOM 3443 CH2 TRP B 86 9.437 5.111 14.820 1.00 0.27 C ATOM 0 H TRP B 86 6.803 2.961 21.347 1.00 0.36 H new ATOM 0 HA TRP B 86 8.009 2.188 18.867 1.00 0.34 H new ATOM 0 HB2 TRP B 86 8.037 4.498 20.053 1.00 0.34 H new ATOM 0 HB3 TRP B 86 9.359 3.862 21.013 1.00 0.34 H new ATOM 0 HD1 TRP B 86 11.705 3.615 19.851 1.00 0.34 H new ATOM 0 HE1 TRP B 86 12.651 4.152 17.504 1.00 0.33 H new ATOM 0 HE3 TRP B 86 7.311 4.590 17.443 1.00 0.28 H new ATOM 0 HZ2 TRP B 86 11.586 4.916 14.909 1.00 0.28 H new ATOM 0 HZ3 TRP B 86 7.293 5.225 15.046 1.00 0.27 H new ATOM 0 HH2 TRP B 86 9.422 5.385 13.775 1.00 0.27 H new ATOM 3454 N GLN B 87 9.430 1.084 21.641 1.00 0.37 N ATOM 3455 CA GLN B 87 10.436 0.086 22.091 1.00 0.39 C ATOM 3456 C GLN B 87 10.100 -1.251 21.434 1.00 0.37 C ATOM 3457 O GLN B 87 10.955 -1.908 20.879 1.00 0.38 O ATOM 3458 CB GLN B 87 10.384 -0.066 23.616 1.00 0.43 C ATOM 3459 CG GLN B 87 10.964 1.179 24.293 1.00 0.46 C ATOM 3460 CD GLN B 87 10.678 1.117 25.795 1.00 0.52 C ATOM 3461 OE1 GLN B 87 9.787 0.412 26.225 1.00 1.21 O ATOM 3462 NE2 GLN B 87 11.401 1.826 26.619 1.00 1.03 N ATOM 0 H GLN B 87 8.884 1.527 22.380 1.00 0.37 H new ATOM 0 HA GLN B 87 11.437 0.412 21.810 1.00 0.39 H new ATOM 0 HB2 GLN B 87 9.354 -0.217 23.938 1.00 0.43 H new ATOM 0 HB3 GLN B 87 10.946 -0.949 23.920 1.00 0.43 H new ATOM 0 HG2 GLN B 87 12.038 1.235 24.118 1.00 0.46 H new ATOM 0 HG3 GLN B 87 10.523 2.079 23.864 1.00 0.46 H new ATOM 0 HE21 GLN B 87 12.150 2.419 26.260 1.00 1.03 H new ATOM 0 HE22 GLN B 87 11.217 1.787 27.622 1.00 1.03 H new ATOM 3471 N GLU B 88 8.855 -1.642 21.456 1.00 0.37 N ATOM 3472 CA GLU B 88 8.470 -2.929 20.809 1.00 0.37 C ATOM 3473 C GLU B 88 8.904 -2.902 19.341 1.00 0.34 C ATOM 3474 O GLU B 88 9.420 -3.869 18.818 1.00 0.34 O ATOM 3475 CB GLU B 88 6.940 -3.106 20.889 1.00 0.39 C ATOM 3476 CG GLU B 88 6.557 -3.973 22.092 1.00 1.17 C ATOM 3477 CD GLU B 88 5.038 -4.156 22.114 1.00 1.41 C ATOM 3478 OE1 GLU B 88 4.370 -3.478 21.351 1.00 1.95 O ATOM 3479 OE2 GLU B 88 4.570 -4.981 22.882 1.00 1.92 O ATOM 0 H GLU B 88 8.090 -1.128 21.892 1.00 0.37 H new ATOM 0 HA GLU B 88 8.958 -3.758 21.321 1.00 0.37 H new ATOM 0 HB2 GLU B 88 6.460 -2.131 20.970 1.00 0.39 H new ATOM 0 HB3 GLU B 88 6.574 -3.566 19.971 1.00 0.39 H new ATOM 0 HG2 GLU B 88 7.052 -4.942 22.030 1.00 1.17 H new ATOM 0 HG3 GLU B 88 6.893 -3.503 23.016 1.00 1.17 H new ATOM 3486 N TRP B 89 8.687 -1.807 18.672 1.00 0.32 N ATOM 3487 CA TRP B 89 9.073 -1.724 17.237 1.00 0.29 C ATOM 3488 C TRP B 89 10.580 -1.944 17.090 1.00 0.29 C ATOM 3489 O TRP B 89 11.029 -2.745 16.293 1.00 0.30 O ATOM 3490 CB TRP B 89 8.693 -0.333 16.717 1.00 0.28 C ATOM 3491 CG TRP B 89 9.258 -0.120 15.350 1.00 0.25 C ATOM 3492 CD1 TRP B 89 8.759 -0.656 14.214 1.00 0.24 C ATOM 3493 CD2 TRP B 89 10.409 0.683 14.956 1.00 0.24 C ATOM 3494 NE1 TRP B 89 9.532 -0.241 13.146 1.00 0.23 N ATOM 3495 CE2 TRP B 89 10.561 0.586 13.548 1.00 0.22 C ATOM 3496 CE3 TRP B 89 11.330 1.477 15.675 1.00 0.26 C ATOM 3497 CZ2 TRP B 89 11.592 1.256 12.875 1.00 0.22 C ATOM 3498 CZ3 TRP B 89 12.368 2.153 15.001 1.00 0.26 C ATOM 3499 CH2 TRP B 89 12.498 2.042 13.605 1.00 0.25 C ATOM 0 H TRP B 89 8.259 -0.965 19.056 1.00 0.32 H new ATOM 0 HA TRP B 89 8.555 -2.492 16.663 1.00 0.29 H new ATOM 0 HB2 TRP B 89 7.608 -0.231 16.690 1.00 0.28 H new ATOM 0 HB3 TRP B 89 9.068 0.432 17.397 1.00 0.28 H new ATOM 0 HD1 TRP B 89 7.897 -1.303 14.151 1.00 0.24 H new ATOM 0 HE1 TRP B 89 9.362 -0.513 12.178 1.00 0.23 H new ATOM 0 HE3 TRP B 89 11.239 1.567 16.747 1.00 0.26 H new ATOM 0 HZ2 TRP B 89 11.689 1.168 11.803 1.00 0.22 H new ATOM 0 HZ3 TRP B 89 13.066 2.759 15.559 1.00 0.26 H new ATOM 0 HH2 TRP B 89 13.295 2.562 13.094 1.00 0.25 H new ATOM 3510 N GLU B 90 11.363 -1.243 17.857 1.00 0.31 N ATOM 3511 CA GLU B 90 12.839 -1.406 17.767 1.00 0.33 C ATOM 3512 C GLU B 90 13.223 -2.844 18.112 1.00 0.33 C ATOM 3513 O GLU B 90 14.106 -3.424 17.512 1.00 0.34 O ATOM 3514 CB GLU B 90 13.503 -0.452 18.763 1.00 0.37 C ATOM 3515 CG GLU B 90 15.024 -0.575 18.668 1.00 0.84 C ATOM 3516 CD GLU B 90 15.672 0.492 19.551 1.00 1.16 C ATOM 3517 OE1 GLU B 90 15.228 1.627 19.496 1.00 1.82 O ATOM 3518 OE2 GLU B 90 16.599 0.157 20.270 1.00 1.67 O ATOM 0 H GLU B 90 11.044 -0.561 18.545 1.00 0.31 H new ATOM 0 HA GLU B 90 13.171 -1.181 16.754 1.00 0.33 H new ATOM 0 HB2 GLU B 90 13.199 0.574 18.555 1.00 0.37 H new ATOM 0 HB3 GLU B 90 13.173 -0.683 19.776 1.00 0.37 H new ATOM 0 HG2 GLU B 90 15.341 -1.568 18.986 1.00 0.84 H new ATOM 0 HG3 GLU B 90 15.347 -0.453 17.634 1.00 0.84 H new ATOM 3525 N ARG B 91 12.581 -3.412 19.093 1.00 0.34 N ATOM 3526 CA ARG B 91 12.921 -4.801 19.504 1.00 0.36 C ATOM 3527 C ARG B 91 12.619 -5.801 18.392 1.00 0.34 C ATOM 3528 O ARG B 91 13.392 -6.703 18.138 1.00 0.34 O ATOM 3529 CB ARG B 91 12.090 -5.187 20.728 1.00 0.40 C ATOM 3530 CG ARG B 91 12.554 -4.403 21.969 1.00 0.44 C ATOM 3531 CD ARG B 91 12.418 -5.286 23.202 1.00 1.07 C ATOM 3532 NE ARG B 91 12.642 -4.450 24.410 1.00 1.67 N ATOM 3533 CZ ARG B 91 12.527 -4.984 25.587 1.00 2.30 C ATOM 3534 NH1 ARG B 91 12.357 -6.273 25.688 1.00 2.62 N ATOM 3535 NH2 ARG B 91 12.613 -4.243 26.657 1.00 3.17 N ATOM 0 H ARG B 91 11.833 -2.972 19.629 1.00 0.34 H new ATOM 0 HA ARG B 91 13.987 -4.829 19.729 1.00 0.36 H new ATOM 0 HB2 ARG B 91 11.036 -4.985 20.537 1.00 0.40 H new ATOM 0 HB3 ARG B 91 12.181 -6.257 20.913 1.00 0.40 H new ATOM 0 HG2 ARG B 91 13.590 -4.086 21.847 1.00 0.44 H new ATOM 0 HG3 ARG B 91 11.956 -3.499 22.087 1.00 0.44 H new ATOM 0 HD2 ARG B 91 11.428 -5.740 23.235 1.00 1.07 H new ATOM 0 HD3 ARG B 91 13.142 -6.100 23.166 1.00 1.07 H new ATOM 0 HE ARG B 91 12.884 -3.464 24.315 1.00 1.67 H new ATOM 0 HH11 ARG B 91 12.316 -6.849 24.847 1.00 2.62 H new ATOM 0 HH12 ARG B 91 12.265 -6.705 26.608 1.00 2.62 H new ATOM 0 HH21 ARG B 91 12.771 -3.239 26.571 1.00 3.17 H new ATOM 0 HH22 ARG B 91 12.522 -4.667 27.580 1.00 3.17 H new ATOM 3549 N LYS B 92 11.501 -5.676 17.740 1.00 0.33 N ATOM 3550 CA LYS B 92 11.188 -6.660 16.676 1.00 0.33 C ATOM 3551 C LYS B 92 12.287 -6.585 15.624 1.00 0.31 C ATOM 3552 O LYS B 92 12.757 -7.591 15.131 1.00 0.32 O ATOM 3553 CB LYS B 92 9.816 -6.358 16.079 1.00 0.34 C ATOM 3554 CG LYS B 92 8.757 -6.690 17.133 1.00 0.68 C ATOM 3555 CD LYS B 92 7.352 -6.578 16.535 1.00 1.09 C ATOM 3556 CE LYS B 92 6.353 -7.316 17.436 1.00 1.41 C ATOM 3557 NZ LYS B 92 4.990 -6.748 17.240 1.00 2.14 N ATOM 0 H LYS B 92 10.802 -4.949 17.894 1.00 0.33 H new ATOM 0 HA LYS B 92 11.150 -7.672 17.080 1.00 0.33 H new ATOM 0 HB2 LYS B 92 9.749 -5.309 15.789 1.00 0.34 H new ATOM 0 HB3 LYS B 92 9.654 -6.949 15.177 1.00 0.34 H new ATOM 0 HG2 LYS B 92 8.918 -7.699 17.513 1.00 0.68 H new ATOM 0 HG3 LYS B 92 8.853 -6.011 17.980 1.00 0.68 H new ATOM 0 HD2 LYS B 92 7.068 -5.530 16.441 1.00 1.09 H new ATOM 0 HD3 LYS B 92 7.337 -7.004 15.532 1.00 1.09 H new ATOM 0 HE2 LYS B 92 6.352 -8.380 17.200 1.00 1.41 H new ATOM 0 HE3 LYS B 92 6.651 -7.221 18.480 1.00 1.41 H new ATOM 0 HZ1 LYS B 92 4.314 -7.249 17.851 1.00 2.14 H new ATOM 0 HZ2 LYS B 92 4.996 -5.738 17.486 1.00 2.14 H new ATOM 0 HZ3 LYS B 92 4.707 -6.860 16.246 1.00 2.14 H new ATOM 3571 N VAL B 93 12.740 -5.405 15.313 1.00 0.29 N ATOM 3572 CA VAL B 93 13.846 -5.291 14.331 1.00 0.28 C ATOM 3573 C VAL B 93 15.050 -6.055 14.891 1.00 0.29 C ATOM 3574 O VAL B 93 15.769 -6.725 14.176 1.00 0.29 O ATOM 3575 CB VAL B 93 14.217 -3.816 14.162 1.00 0.28 C ATOM 3576 CG1 VAL B 93 15.487 -3.694 13.318 1.00 0.29 C ATOM 3577 CG2 VAL B 93 13.067 -3.073 13.479 1.00 0.28 C ATOM 0 H VAL B 93 12.395 -4.523 15.693 1.00 0.29 H new ATOM 0 HA VAL B 93 13.548 -5.700 13.365 1.00 0.28 H new ATOM 0 HB VAL B 93 14.398 -3.376 15.143 1.00 0.28 H new ATOM 0 HG11 VAL B 93 15.746 -2.642 13.201 1.00 0.29 H new ATOM 0 HG12 VAL B 93 16.305 -4.216 13.814 1.00 0.29 H new ATOM 0 HG13 VAL B 93 15.316 -4.137 12.337 1.00 0.29 H new ATOM 0 HG21 VAL B 93 13.333 -2.023 13.359 1.00 0.28 H new ATOM 0 HG22 VAL B 93 12.880 -3.514 12.500 1.00 0.28 H new ATOM 0 HG23 VAL B 93 12.168 -3.153 14.091 1.00 0.28 H new ATOM 3587 N ASP B 94 15.273 -5.937 16.172 1.00 0.30 N ATOM 3588 CA ASP B 94 16.428 -6.627 16.814 1.00 0.32 C ATOM 3589 C ASP B 94 16.298 -8.149 16.652 1.00 0.33 C ATOM 3590 O ASP B 94 17.239 -8.821 16.278 1.00 0.35 O ATOM 3591 CB ASP B 94 16.450 -6.244 18.309 1.00 0.35 C ATOM 3592 CG ASP B 94 17.875 -5.938 18.789 1.00 1.26 C ATOM 3593 OD1 ASP B 94 18.813 -6.309 18.104 1.00 2.03 O ATOM 3594 OD2 ASP B 94 18.001 -5.332 19.842 1.00 1.96 O ATOM 0 H ASP B 94 14.697 -5.385 16.808 1.00 0.30 H new ATOM 0 HA ASP B 94 17.359 -6.319 16.338 1.00 0.32 H new ATOM 0 HB2 ASP B 94 15.815 -5.373 18.472 1.00 0.35 H new ATOM 0 HB3 ASP B 94 16.032 -7.059 18.901 1.00 0.35 H new ATOM 3599 N PHE B 95 15.150 -8.704 16.940 1.00 0.34 N ATOM 3600 CA PHE B 95 14.992 -10.183 16.810 1.00 0.36 C ATOM 3601 C PHE B 95 15.099 -10.592 15.341 1.00 0.34 C ATOM 3602 O PHE B 95 15.697 -11.597 15.013 1.00 0.35 O ATOM 3603 CB PHE B 95 13.627 -10.615 17.352 1.00 0.39 C ATOM 3604 CG PHE B 95 13.608 -10.481 18.857 1.00 0.43 C ATOM 3605 CD1 PHE B 95 14.367 -11.361 19.648 1.00 0.47 C ATOM 3606 CD2 PHE B 95 12.828 -9.483 19.467 1.00 0.43 C ATOM 3607 CE1 PHE B 95 14.348 -11.242 21.049 1.00 0.51 C ATOM 3608 CE2 PHE B 95 12.808 -9.364 20.868 1.00 0.47 C ATOM 3609 CZ PHE B 95 13.569 -10.244 21.659 1.00 0.51 C ATOM 0 H PHE B 95 14.321 -8.202 17.257 1.00 0.34 H new ATOM 0 HA PHE B 95 15.781 -10.669 17.383 1.00 0.36 H new ATOM 0 HB2 PHE B 95 12.840 -10.001 16.913 1.00 0.39 H new ATOM 0 HB3 PHE B 95 13.422 -11.647 17.067 1.00 0.39 H new ATOM 0 HD1 PHE B 95 14.965 -12.129 19.180 1.00 0.47 H new ATOM 0 HD2 PHE B 95 12.244 -8.808 18.859 1.00 0.43 H new ATOM 0 HE1 PHE B 95 14.932 -11.918 21.656 1.00 0.51 H new ATOM 0 HE2 PHE B 95 12.209 -8.597 21.337 1.00 0.47 H new ATOM 0 HZ PHE B 95 13.555 -10.153 22.735 1.00 0.51 H new ATOM 3619 N LEU B 96 14.531 -9.826 14.450 1.00 0.32 N ATOM 3620 CA LEU B 96 14.620 -10.191 13.010 1.00 0.32 C ATOM 3621 C LEU B 96 16.066 -10.036 12.551 1.00 0.31 C ATOM 3622 O LEU B 96 16.582 -10.838 11.799 1.00 0.32 O ATOM 3623 CB LEU B 96 13.739 -9.250 12.189 1.00 0.32 C ATOM 3624 CG LEU B 96 12.267 -9.424 12.592 1.00 0.33 C ATOM 3625 CD1 LEU B 96 11.401 -8.342 11.913 1.00 0.35 C ATOM 3626 CD2 LEU B 96 11.769 -10.824 12.186 1.00 0.36 C ATOM 0 H LEU B 96 14.014 -8.971 14.655 1.00 0.32 H new ATOM 0 HA LEU B 96 14.287 -11.220 12.872 1.00 0.32 H new ATOM 0 HB2 LEU B 96 14.049 -8.217 12.348 1.00 0.32 H new ATOM 0 HB3 LEU B 96 13.861 -9.459 11.126 1.00 0.32 H new ATOM 0 HG LEU B 96 12.184 -9.318 13.674 1.00 0.33 H new ATOM 0 HD11 LEU B 96 10.359 -8.474 12.205 1.00 0.35 H new ATOM 0 HD12 LEU B 96 11.743 -7.355 12.224 1.00 0.35 H new ATOM 0 HD13 LEU B 96 11.489 -8.432 10.830 1.00 0.35 H new ATOM 0 HD21 LEU B 96 10.724 -10.937 12.476 1.00 0.36 H new ATOM 0 HD22 LEU B 96 11.861 -10.944 11.106 1.00 0.36 H new ATOM 0 HD23 LEU B 96 12.369 -11.583 12.688 1.00 0.36 H new ATOM 3638 N GLU B 97 16.721 -9.004 13.001 1.00 0.31 N ATOM 3639 CA GLU B 97 18.133 -8.789 12.594 1.00 0.32 C ATOM 3640 C GLU B 97 18.974 -9.966 13.085 1.00 0.33 C ATOM 3641 O GLU B 97 19.756 -10.538 12.353 1.00 0.35 O ATOM 3642 CB GLU B 97 18.642 -7.494 13.230 1.00 0.34 C ATOM 3643 CG GLU B 97 19.947 -7.068 12.557 1.00 0.95 C ATOM 3644 CD GLU B 97 20.449 -5.773 13.199 1.00 1.23 C ATOM 3645 OE1 GLU B 97 19.702 -5.188 13.966 1.00 1.69 O ATOM 3646 OE2 GLU B 97 21.569 -5.387 12.909 1.00 1.86 O ATOM 0 H GLU B 97 16.338 -8.301 13.633 1.00 0.31 H new ATOM 0 HA GLU B 97 18.205 -8.715 11.509 1.00 0.32 H new ATOM 0 HB2 GLU B 97 17.894 -6.708 13.126 1.00 0.34 H new ATOM 0 HB3 GLU B 97 18.803 -7.641 14.298 1.00 0.34 H new ATOM 0 HG2 GLU B 97 20.696 -7.853 12.661 1.00 0.95 H new ATOM 0 HG3 GLU B 97 19.787 -6.920 11.489 1.00 0.95 H new ATOM 3653 N GLU B 98 18.813 -10.327 14.328 1.00 0.34 N ATOM 3654 CA GLU B 98 19.595 -11.459 14.895 1.00 0.37 C ATOM 3655 C GLU B 98 19.279 -12.736 14.112 1.00 0.36 C ATOM 3656 O GLU B 98 20.146 -13.542 13.836 1.00 0.37 O ATOM 3657 CB GLU B 98 19.204 -11.629 16.367 1.00 0.40 C ATOM 3658 CG GLU B 98 20.294 -12.392 17.121 1.00 1.18 C ATOM 3659 CD GLU B 98 19.906 -12.493 18.598 1.00 1.33 C ATOM 3660 OE1 GLU B 98 18.974 -11.810 18.991 1.00 1.78 O ATOM 3661 OE2 GLU B 98 20.553 -13.239 19.313 1.00 1.85 O ATOM 0 H GLU B 98 18.167 -9.882 14.980 1.00 0.34 H new ATOM 0 HA GLU B 98 20.664 -11.259 14.821 1.00 0.37 H new ATOM 0 HB2 GLU B 98 19.052 -10.652 16.825 1.00 0.40 H new ATOM 0 HB3 GLU B 98 18.258 -12.166 16.439 1.00 0.40 H new ATOM 0 HG2 GLU B 98 20.418 -13.388 16.696 1.00 1.18 H new ATOM 0 HG3 GLU B 98 21.251 -11.880 17.018 1.00 1.18 H new ATOM 3668 N ASN B 99 18.037 -12.927 13.761 1.00 0.35 N ATOM 3669 CA ASN B 99 17.649 -14.150 13.005 1.00 0.35 C ATOM 3670 C ASN B 99 18.302 -14.113 11.617 1.00 0.33 C ATOM 3671 O ASN B 99 18.841 -15.096 11.148 1.00 0.34 O ATOM 3672 CB ASN B 99 16.113 -14.184 12.882 1.00 0.36 C ATOM 3673 CG ASN B 99 15.575 -15.592 13.166 1.00 1.25 C ATOM 3674 OD1 ASN B 99 16.063 -16.565 12.627 1.00 2.16 O ATOM 3675 ND2 ASN B 99 14.580 -15.735 13.999 1.00 1.82 N ATOM 0 H ASN B 99 17.271 -12.285 13.967 1.00 0.35 H new ATOM 0 HA ASN B 99 17.987 -15.047 13.524 1.00 0.35 H new ATOM 0 HB2 ASN B 99 15.672 -13.473 13.581 1.00 0.36 H new ATOM 0 HB3 ASN B 99 15.817 -13.872 11.881 1.00 0.36 H new ATOM 0 HD21 ASN B 99 14.211 -16.665 14.198 1.00 1.82 H new ATOM 0 HD22 ASN B 99 14.171 -14.917 14.451 1.00 1.82 H new ATOM 3682 N ILE B 100 18.257 -12.987 10.958 1.00 0.31 N ATOM 3683 CA ILE B 100 18.876 -12.899 9.607 1.00 0.30 C ATOM 3684 C ILE B 100 20.373 -13.193 9.720 1.00 0.31 C ATOM 3685 O ILE B 100 20.936 -13.898 8.907 1.00 0.32 O ATOM 3686 CB ILE B 100 18.659 -11.494 9.021 1.00 0.28 C ATOM 3687 CG1 ILE B 100 17.160 -11.307 8.721 1.00 0.29 C ATOM 3688 CG2 ILE B 100 19.494 -11.328 7.727 1.00 0.28 C ATOM 3689 CD1 ILE B 100 16.826 -9.818 8.565 1.00 0.30 C ATOM 0 H ILE B 100 17.821 -12.129 11.295 1.00 0.31 H new ATOM 0 HA ILE B 100 18.411 -13.629 8.945 1.00 0.30 H new ATOM 0 HB ILE B 100 18.982 -10.738 9.737 1.00 0.28 H new ATOM 0 HG12 ILE B 100 16.896 -11.843 7.809 1.00 0.29 H new ATOM 0 HG13 ILE B 100 16.565 -11.737 9.527 1.00 0.29 H new ATOM 0 HG21 ILE B 100 19.336 -10.330 7.317 1.00 0.28 H new ATOM 0 HG22 ILE B 100 20.551 -11.462 7.956 1.00 0.28 H new ATOM 0 HG23 ILE B 100 19.184 -12.074 6.996 1.00 0.28 H new ATOM 0 HD11 ILE B 100 15.763 -9.704 8.353 1.00 0.30 H new ATOM 0 HD12 ILE B 100 17.071 -9.292 9.487 1.00 0.30 H new ATOM 0 HD13 ILE B 100 17.407 -9.399 7.743 1.00 0.30 H new ATOM 3701 N THR B 101 21.027 -12.667 10.720 1.00 0.33 N ATOM 3702 CA THR B 101 22.486 -12.933 10.864 1.00 0.36 C ATOM 3703 C THR B 101 22.719 -14.433 11.065 1.00 0.38 C ATOM 3704 O THR B 101 23.648 -15.000 10.525 1.00 0.40 O ATOM 3705 CB THR B 101 23.040 -12.157 12.064 1.00 0.39 C ATOM 3706 OG1 THR B 101 22.242 -12.427 13.208 1.00 0.40 O ATOM 3707 CG2 THR B 101 23.025 -10.652 11.774 1.00 0.39 C ATOM 0 H THR B 101 20.618 -12.069 11.438 1.00 0.33 H new ATOM 0 HA THR B 101 23.001 -12.607 9.960 1.00 0.36 H new ATOM 0 HB THR B 101 24.067 -12.471 12.248 1.00 0.39 H new ATOM 0 HG1 THR B 101 21.464 -12.962 12.945 1.00 0.40 H new ATOM 0 HG21 THR B 101 23.421 -10.112 12.634 1.00 0.39 H new ATOM 0 HG22 THR B 101 23.641 -10.444 10.900 1.00 0.39 H new ATOM 0 HG23 THR B 101 22.002 -10.329 11.582 1.00 0.39 H new ATOM 3715 N ALA B 102 21.887 -15.084 11.832 1.00 0.38 N ATOM 3716 CA ALA B 102 22.074 -16.547 12.050 1.00 0.41 C ATOM 3717 C ALA B 102 21.938 -17.275 10.708 1.00 0.40 C ATOM 3718 O ALA B 102 22.773 -18.077 10.338 1.00 0.42 O ATOM 3719 CB ALA B 102 21.017 -17.051 13.052 1.00 0.43 C ATOM 0 H ALA B 102 21.090 -14.669 12.315 1.00 0.38 H new ATOM 0 HA ALA B 102 23.065 -16.744 12.459 1.00 0.41 H new ATOM 0 HB1 ALA B 102 21.150 -18.121 13.214 1.00 0.43 H new ATOM 0 HB2 ALA B 102 21.132 -16.523 13.999 1.00 0.43 H new ATOM 0 HB3 ALA B 102 20.020 -16.866 12.653 1.00 0.43 H new ATOM 3725 N LEU B 103 20.891 -17.002 9.979 1.00 0.37 N ATOM 3726 CA LEU B 103 20.703 -17.680 8.667 1.00 0.36 C ATOM 3727 C LEU B 103 21.878 -17.343 7.748 1.00 0.34 C ATOM 3728 O LEU B 103 22.403 -18.197 7.060 1.00 0.36 O ATOM 3729 CB LEU B 103 19.405 -17.187 8.025 1.00 0.34 C ATOM 3730 CG LEU B 103 18.191 -17.655 8.839 1.00 0.35 C ATOM 3731 CD1 LEU B 103 16.922 -17.029 8.254 1.00 0.37 C ATOM 3732 CD2 LEU B 103 18.077 -19.189 8.802 1.00 0.43 C ATOM 0 H LEU B 103 20.159 -16.340 10.235 1.00 0.37 H new ATOM 0 HA LEU B 103 20.653 -18.758 8.818 1.00 0.36 H new ATOM 0 HB2 LEU B 103 19.412 -16.099 7.965 1.00 0.34 H new ATOM 0 HB3 LEU B 103 19.332 -17.562 7.004 1.00 0.34 H new ATOM 0 HG LEU B 103 18.315 -17.342 9.876 1.00 0.35 H new ATOM 0 HD11 LEU B 103 16.056 -17.358 8.828 1.00 0.37 H new ATOM 0 HD12 LEU B 103 16.997 -15.943 8.301 1.00 0.37 H new ATOM 0 HD13 LEU B 103 16.808 -17.340 7.216 1.00 0.37 H new ATOM 0 HD21 LEU B 103 17.211 -19.504 9.384 1.00 0.43 H new ATOM 0 HD22 LEU B 103 17.960 -19.520 7.770 1.00 0.43 H new ATOM 0 HD23 LEU B 103 18.979 -19.631 9.225 1.00 0.43 H new ATOM 3744 N LEU B 104 22.301 -16.107 7.729 1.00 0.33 N ATOM 3745 CA LEU B 104 23.445 -15.737 6.850 1.00 0.33 C ATOM 3746 C LEU B 104 24.684 -16.532 7.264 1.00 0.37 C ATOM 3747 O LEU B 104 25.397 -17.061 6.435 1.00 0.39 O ATOM 3748 CB LEU B 104 23.745 -14.236 6.971 1.00 0.33 C ATOM 3749 CG LEU B 104 22.625 -13.405 6.323 1.00 0.29 C ATOM 3750 CD1 LEU B 104 22.819 -11.931 6.697 1.00 0.31 C ATOM 3751 CD2 LEU B 104 22.659 -13.551 4.782 1.00 0.28 C ATOM 0 H LEU B 104 21.907 -15.344 8.280 1.00 0.33 H new ATOM 0 HA LEU B 104 23.184 -15.967 5.817 1.00 0.33 H new ATOM 0 HB2 LEU B 104 23.846 -13.964 8.022 1.00 0.33 H new ATOM 0 HB3 LEU B 104 24.697 -14.010 6.490 1.00 0.33 H new ATOM 0 HG LEU B 104 21.662 -13.764 6.685 1.00 0.29 H new ATOM 0 HD11 LEU B 104 22.029 -11.333 6.242 1.00 0.31 H new ATOM 0 HD12 LEU B 104 22.778 -11.822 7.781 1.00 0.31 H new ATOM 0 HD13 LEU B 104 23.788 -11.588 6.335 1.00 0.31 H new ATOM 0 HD21 LEU B 104 21.859 -12.956 4.342 1.00 0.28 H new ATOM 0 HD22 LEU B 104 23.620 -13.202 4.405 1.00 0.28 H new ATOM 0 HD23 LEU B 104 22.522 -14.598 4.513 1.00 0.28 H new ATOM 3763 N GLU B 105 24.950 -16.618 8.537 1.00 0.40 N ATOM 3764 CA GLU B 105 26.147 -17.378 8.989 1.00 0.45 C ATOM 3765 C GLU B 105 26.032 -18.833 8.534 1.00 0.46 C ATOM 3766 O GLU B 105 26.981 -19.417 8.051 1.00 0.48 O ATOM 3767 CB GLU B 105 26.253 -17.312 10.513 1.00 0.49 C ATOM 3768 CG GLU B 105 27.486 -18.094 10.968 1.00 0.53 C ATOM 3769 CD GLU B 105 27.790 -17.770 12.431 1.00 1.15 C ATOM 3770 OE1 GLU B 105 27.063 -16.976 13.005 1.00 1.82 O ATOM 3771 OE2 GLU B 105 28.749 -18.316 12.951 1.00 1.84 O ATOM 0 H GLU B 105 24.393 -16.197 9.281 1.00 0.40 H new ATOM 0 HA GLU B 105 27.043 -16.938 8.552 1.00 0.45 H new ATOM 0 HB2 GLU B 105 26.325 -16.275 10.839 1.00 0.49 H new ATOM 0 HB3 GLU B 105 25.355 -17.728 10.970 1.00 0.49 H new ATOM 0 HG2 GLU B 105 27.314 -19.164 10.850 1.00 0.53 H new ATOM 0 HG3 GLU B 105 28.342 -17.838 10.343 1.00 0.53 H new ATOM 3778 N GLU B 106 24.876 -19.423 8.676 1.00 0.45 N ATOM 3779 CA GLU B 106 24.710 -20.838 8.240 1.00 0.47 C ATOM 3780 C GLU B 106 24.880 -20.920 6.720 1.00 0.44 C ATOM 3781 O GLU B 106 25.516 -21.820 6.208 1.00 0.46 O ATOM 3782 CB GLU B 106 23.307 -21.337 8.653 1.00 0.48 C ATOM 3783 CG GLU B 106 23.403 -22.320 9.827 1.00 1.17 C ATOM 3784 CD GLU B 106 22.027 -22.934 10.089 1.00 1.66 C ATOM 3785 OE1 GLU B 106 21.044 -22.233 9.910 1.00 2.26 O ATOM 3786 OE2 GLU B 106 21.978 -24.097 10.454 1.00 2.27 O ATOM 0 H GLU B 106 24.043 -18.988 9.073 1.00 0.45 H new ATOM 0 HA GLU B 106 25.463 -21.467 8.715 1.00 0.47 H new ATOM 0 HB2 GLU B 106 22.682 -20.489 8.933 1.00 0.48 H new ATOM 0 HB3 GLU B 106 22.824 -21.822 7.805 1.00 0.48 H new ATOM 0 HG2 GLU B 106 24.126 -23.104 9.601 1.00 1.17 H new ATOM 0 HG3 GLU B 106 23.759 -21.805 10.719 1.00 1.17 H new ATOM 3793 N ALA B 107 24.315 -19.997 5.994 1.00 0.39 N ATOM 3794 CA ALA B 107 24.448 -20.041 4.512 1.00 0.37 C ATOM 3795 C ALA B 107 25.926 -19.956 4.129 1.00 0.40 C ATOM 3796 O ALA B 107 26.385 -20.649 3.242 1.00 0.41 O ATOM 3797 CB ALA B 107 23.688 -18.866 3.892 1.00 0.34 C ATOM 0 H ALA B 107 23.769 -19.217 6.361 1.00 0.39 H new ATOM 0 HA ALA B 107 24.031 -20.976 4.139 1.00 0.37 H new ATOM 0 HB1 ALA B 107 23.787 -18.901 2.807 1.00 0.34 H new ATOM 0 HB2 ALA B 107 22.634 -18.931 4.162 1.00 0.34 H new ATOM 0 HB3 ALA B 107 24.101 -17.928 4.264 1.00 0.34 H new ATOM 3803 N GLN B 108 26.677 -19.112 4.784 1.00 0.42 N ATOM 3804 CA GLN B 108 28.123 -18.993 4.444 1.00 0.46 C ATOM 3805 C GLN B 108 28.833 -20.315 4.728 1.00 0.50 C ATOM 3806 O GLN B 108 29.567 -20.827 3.906 1.00 0.53 O ATOM 3807 CB GLN B 108 28.763 -17.892 5.285 1.00 0.50 C ATOM 3808 CG GLN B 108 28.241 -16.533 4.824 1.00 0.48 C ATOM 3809 CD GLN B 108 28.902 -15.429 5.648 1.00 0.98 C ATOM 3810 OE1 GLN B 108 29.348 -15.664 6.754 1.00 1.68 O ATOM 3811 NE2 GLN B 108 28.992 -14.228 5.149 1.00 1.58 N ATOM 0 H GLN B 108 26.354 -18.503 5.536 1.00 0.42 H new ATOM 0 HA GLN B 108 28.217 -18.747 3.386 1.00 0.46 H new ATOM 0 HB2 GLN B 108 28.532 -18.044 6.339 1.00 0.50 H new ATOM 0 HB3 GLN B 108 29.848 -17.929 5.188 1.00 0.50 H new ATOM 0 HG2 GLN B 108 28.455 -16.389 3.765 1.00 0.48 H new ATOM 0 HG3 GLN B 108 27.158 -16.489 4.939 1.00 0.48 H new ATOM 0 HE21 GLN B 108 28.617 -14.032 4.221 1.00 1.58 H new ATOM 0 HE22 GLN B 108 29.437 -13.484 5.687 1.00 1.58 H new ATOM 3820 N ILE B 109 28.619 -20.877 5.885 1.00 0.52 N ATOM 3821 CA ILE B 109 29.282 -22.168 6.211 1.00 0.57 C ATOM 3822 C ILE B 109 28.842 -23.211 5.186 1.00 0.56 C ATOM 3823 O ILE B 109 29.636 -23.971 4.669 1.00 0.58 O ATOM 3824 CB ILE B 109 28.857 -22.631 7.609 1.00 0.61 C ATOM 3825 CG1 ILE B 109 29.384 -21.645 8.662 1.00 0.64 C ATOM 3826 CG2 ILE B 109 29.419 -24.031 7.881 1.00 0.67 C ATOM 3827 CD1 ILE B 109 28.785 -21.957 10.048 1.00 0.67 C ATOM 0 H ILE B 109 28.016 -20.499 6.616 1.00 0.52 H new ATOM 0 HA ILE B 109 30.365 -22.043 6.188 1.00 0.57 H new ATOM 0 HB ILE B 109 27.769 -22.665 7.663 1.00 0.61 H new ATOM 0 HG12 ILE B 109 30.471 -21.702 8.709 1.00 0.64 H new ATOM 0 HG13 ILE B 109 29.131 -20.625 8.372 1.00 0.64 H new ATOM 0 HG21 ILE B 109 29.116 -24.358 8.876 1.00 0.67 H new ATOM 0 HG22 ILE B 109 29.035 -24.728 7.137 1.00 0.67 H new ATOM 0 HG23 ILE B 109 30.507 -24.004 7.824 1.00 0.67 H new ATOM 0 HD11 ILE B 109 29.171 -21.247 10.779 1.00 0.67 H new ATOM 0 HD12 ILE B 109 27.699 -21.876 10.002 1.00 0.67 H new ATOM 0 HD13 ILE B 109 29.061 -22.969 10.344 1.00 0.67 H new ATOM 3839 N GLN B 110 27.569 -23.255 4.907 1.00 0.52 N ATOM 3840 CA GLN B 110 27.044 -24.250 3.934 1.00 0.52 C ATOM 3841 C GLN B 110 27.496 -23.890 2.512 1.00 0.48 C ATOM 3842 O GLN B 110 27.853 -24.750 1.731 1.00 0.50 O ATOM 3843 CB GLN B 110 25.506 -24.246 4.031 1.00 0.50 C ATOM 3844 CG GLN B 110 24.948 -25.671 3.965 1.00 1.17 C ATOM 3845 CD GLN B 110 23.458 -25.641 4.306 1.00 1.46 C ATOM 3846 OE1 GLN B 110 22.923 -24.605 4.649 1.00 2.12 O ATOM 3847 NE2 GLN B 110 22.764 -26.742 4.233 1.00 1.93 N ATOM 0 H GLN B 110 26.866 -22.639 5.315 1.00 0.52 H new ATOM 0 HA GLN B 110 27.428 -25.244 4.164 1.00 0.52 H new ATOM 0 HB2 GLN B 110 25.198 -23.774 4.964 1.00 0.50 H new ATOM 0 HB3 GLN B 110 25.088 -23.650 3.219 1.00 0.50 H new ATOM 0 HG2 GLN B 110 25.097 -26.088 2.969 1.00 1.17 H new ATOM 0 HG3 GLN B 110 25.481 -26.316 4.664 1.00 1.17 H new ATOM 0 HE21 GLN B 110 23.214 -27.611 3.945 1.00 1.93 H new ATOM 0 HE22 GLN B 110 21.770 -26.735 4.464 1.00 1.93 H new ATOM 3856 N GLN B 111 27.480 -22.631 2.168 1.00 0.45 N ATOM 3857 CA GLN B 111 27.904 -22.232 0.796 1.00 0.43 C ATOM 3858 C GLN B 111 29.352 -22.666 0.582 1.00 0.49 C ATOM 3859 O GLN B 111 29.705 -23.223 -0.439 1.00 0.49 O ATOM 3860 CB GLN B 111 27.800 -20.710 0.658 1.00 0.42 C ATOM 3861 CG GLN B 111 28.089 -20.295 -0.787 1.00 0.42 C ATOM 3862 CD GLN B 111 26.953 -20.773 -1.692 1.00 0.38 C ATOM 3863 OE1 GLN B 111 25.798 -20.706 -1.323 1.00 0.37 O ATOM 3864 NE2 GLN B 111 27.234 -21.257 -2.871 1.00 0.40 N ATOM 0 H GLN B 111 27.193 -21.864 2.776 1.00 0.45 H new ATOM 0 HA GLN B 111 27.263 -22.707 0.053 1.00 0.43 H new ATOM 0 HB2 GLN B 111 26.803 -20.377 0.948 1.00 0.42 H new ATOM 0 HB3 GLN B 111 28.507 -20.226 1.332 1.00 0.42 H new ATOM 0 HG2 GLN B 111 28.189 -19.212 -0.852 1.00 0.42 H new ATOM 0 HG3 GLN B 111 29.036 -20.723 -1.117 1.00 0.42 H new ATOM 0 HE21 GLN B 111 28.204 -21.313 -3.181 1.00 0.40 H new ATOM 0 HE22 GLN B 111 26.484 -21.579 -3.482 1.00 0.40 H new ATOM 3873 N GLU B 112 30.188 -22.414 1.546 1.00 0.54 N ATOM 3874 CA GLU B 112 31.617 -22.805 1.424 1.00 0.60 C ATOM 3875 C GLU B 112 31.701 -24.332 1.317 1.00 0.62 C ATOM 3876 O GLU B 112 32.435 -24.874 0.513 1.00 0.64 O ATOM 3877 CB GLU B 112 32.355 -22.306 2.679 1.00 0.66 C ATOM 3878 CG GLU B 112 33.786 -21.880 2.341 1.00 1.29 C ATOM 3879 CD GLU B 112 34.430 -21.263 3.584 1.00 1.72 C ATOM 3880 OE1 GLU B 112 33.811 -20.394 4.176 1.00 2.27 O ATOM 3881 OE2 GLU B 112 35.526 -21.674 3.927 1.00 2.25 O ATOM 0 H GLU B 112 29.941 -21.950 2.420 1.00 0.54 H new ATOM 0 HA GLU B 112 32.075 -22.367 0.537 1.00 0.60 H new ATOM 0 HB2 GLU B 112 31.814 -21.465 3.113 1.00 0.66 H new ATOM 0 HB3 GLU B 112 32.375 -23.095 3.431 1.00 0.66 H new ATOM 0 HG2 GLU B 112 34.365 -22.740 2.005 1.00 1.29 H new ATOM 0 HG3 GLU B 112 33.781 -21.160 1.523 1.00 1.29 H new ATOM 3888 N LYS B 113 30.950 -25.024 2.131 1.00 0.62 N ATOM 3889 CA LYS B 113 30.970 -26.513 2.097 1.00 0.65 C ATOM 3890 C LYS B 113 30.512 -27.017 0.726 1.00 0.60 C ATOM 3891 O LYS B 113 31.089 -27.930 0.169 1.00 0.63 O ATOM 3892 CB LYS B 113 30.009 -27.055 3.162 1.00 0.68 C ATOM 3893 CG LYS B 113 30.550 -26.798 4.595 1.00 0.75 C ATOM 3894 CD LYS B 113 30.895 -28.124 5.314 1.00 1.28 C ATOM 3895 CE LYS B 113 30.855 -27.968 6.849 1.00 1.53 C ATOM 3896 NZ LYS B 113 32.237 -27.772 7.370 1.00 2.10 N ATOM 0 H LYS B 113 30.320 -24.618 2.822 1.00 0.62 H new ATOM 0 HA LYS B 113 31.986 -26.856 2.290 1.00 0.65 H new ATOM 0 HB2 LYS B 113 29.034 -26.582 3.049 1.00 0.68 H new ATOM 0 HB3 LYS B 113 29.863 -28.125 3.013 1.00 0.68 H new ATOM 0 HG2 LYS B 113 31.438 -26.169 4.543 1.00 0.75 H new ATOM 0 HG3 LYS B 113 29.806 -26.251 5.174 1.00 0.75 H new ATOM 0 HD2 LYS B 113 30.191 -28.898 5.008 1.00 1.28 H new ATOM 0 HD3 LYS B 113 31.887 -28.457 5.008 1.00 1.28 H new ATOM 0 HE2 LYS B 113 30.229 -27.118 7.122 1.00 1.53 H new ATOM 0 HE3 LYS B 113 30.407 -28.852 7.303 1.00 1.53 H new ATOM 0 HZ1 LYS B 113 32.206 -27.667 8.404 1.00 2.10 H new ATOM 0 HZ2 LYS B 113 32.821 -28.596 7.123 1.00 2.10 H new ATOM 0 HZ3 LYS B 113 32.649 -26.916 6.947 1.00 2.10 H new ATOM 3910 N ASN B 114 29.471 -26.446 0.183 1.00 0.53 N ATOM 3911 CA ASN B 114 28.985 -26.918 -1.144 1.00 0.49 C ATOM 3912 C ASN B 114 30.102 -26.739 -2.167 1.00 0.49 C ATOM 3913 O ASN B 114 30.357 -27.596 -2.989 1.00 0.50 O ATOM 3914 CB ASN B 114 27.785 -26.075 -1.589 1.00 0.44 C ATOM 3915 CG ASN B 114 26.561 -26.375 -0.720 1.00 0.46 C ATOM 3916 OD1 ASN B 114 26.617 -27.323 0.175 1.00 1.19 O flip ATOM 3917 ND2 ASN B 114 25.539 -25.732 -0.855 1.00 1.18 N flip ATOM 0 H ASN B 114 28.940 -25.680 0.597 1.00 0.53 H new ATOM 0 HA ASN B 114 28.692 -27.965 -1.069 1.00 0.49 H new ATOM 0 HB2 ASN B 114 28.034 -25.016 -1.522 1.00 0.44 H new ATOM 0 HB3 ASN B 114 27.555 -26.283 -2.634 1.00 0.44 H new ATOM 0 HD21 ASN B 114 25.492 -24.990 -1.554 1.00 1.18 H new ATOM 0 HD22 ASN B 114 24.728 -25.934 -0.270 1.00 1.18 H new ATOM 3924 N MET B 115 30.767 -25.621 -2.113 1.00 0.50 N ATOM 3925 CA MET B 115 31.872 -25.360 -3.070 1.00 0.54 C ATOM 3926 C MET B 115 33.050 -26.280 -2.751 1.00 0.61 C ATOM 3927 O MET B 115 33.677 -26.836 -3.631 1.00 0.63 O ATOM 3928 CB MET B 115 32.294 -23.900 -2.919 1.00 0.57 C ATOM 3929 CG MET B 115 33.301 -23.532 -4.006 1.00 0.72 C ATOM 3930 SD MET B 115 33.781 -21.799 -3.800 1.00 0.94 S ATOM 3931 CE MET B 115 35.150 -21.778 -4.984 1.00 1.46 C ATOM 0 H MET B 115 30.590 -24.873 -1.442 1.00 0.50 H new ATOM 0 HA MET B 115 31.547 -25.551 -4.093 1.00 0.54 H new ATOM 0 HB2 MET B 115 31.420 -23.252 -2.987 1.00 0.57 H new ATOM 0 HB3 MET B 115 32.734 -23.740 -1.935 1.00 0.57 H new ATOM 0 HG2 MET B 115 34.178 -24.176 -3.941 1.00 0.72 H new ATOM 0 HG3 MET B 115 32.864 -23.687 -4.992 1.00 0.72 H new ATOM 0 HE1 MET B 115 35.593 -20.782 -5.011 1.00 1.46 H new ATOM 0 HE2 MET B 115 35.905 -22.503 -4.680 1.00 1.46 H new ATOM 0 HE3 MET B 115 34.778 -22.036 -5.975 1.00 1.46 H new ATOM 3941 N TYR B 116 33.347 -26.448 -1.494 1.00 0.65 N ATOM 3942 CA TYR B 116 34.474 -27.336 -1.100 1.00 0.73 C ATOM 3943 C TYR B 116 34.207 -28.758 -1.602 1.00 0.72 C ATOM 3944 O TYR B 116 35.074 -29.404 -2.157 1.00 0.76 O ATOM 3945 CB TYR B 116 34.604 -27.319 0.424 1.00 0.78 C ATOM 3946 CG TYR B 116 35.739 -28.213 0.857 1.00 0.87 C ATOM 3947 CD1 TYR B 116 37.057 -27.723 0.880 1.00 0.95 C ATOM 3948 CD2 TYR B 116 35.471 -29.533 1.253 1.00 0.91 C ATOM 3949 CE1 TYR B 116 38.108 -28.559 1.297 1.00 1.05 C ATOM 3950 CE2 TYR B 116 36.520 -30.366 1.669 1.00 1.01 C ATOM 3951 CZ TYR B 116 37.839 -29.881 1.692 1.00 1.07 C ATOM 3952 OH TYR B 116 38.870 -30.704 2.098 1.00 1.18 O ATOM 0 H TYR B 116 32.854 -26.006 -0.718 1.00 0.65 H new ATOM 0 HA TYR B 116 35.405 -26.984 -1.544 1.00 0.73 H new ATOM 0 HB2 TYR B 116 34.780 -26.301 0.770 1.00 0.78 H new ATOM 0 HB3 TYR B 116 33.672 -27.654 0.880 1.00 0.78 H new ATOM 0 HD1 TYR B 116 37.262 -26.706 0.578 1.00 0.95 H new ATOM 0 HD2 TYR B 116 34.458 -29.907 1.237 1.00 0.91 H new ATOM 0 HE1 TYR B 116 39.121 -28.186 1.314 1.00 1.05 H new ATOM 0 HE2 TYR B 116 36.314 -31.382 1.972 1.00 1.01 H new ATOM 0 HH TYR B 116 38.502 -31.489 2.555 1.00 1.18 H new ATOM 3962 N GLU B 117 33.008 -29.247 -1.427 1.00 0.68 N ATOM 3963 CA GLU B 117 32.690 -30.621 -1.910 1.00 0.68 C ATOM 3964 C GLU B 117 32.821 -30.663 -3.435 1.00 0.64 C ATOM 3965 O GLU B 117 33.300 -31.622 -4.006 1.00 0.68 O ATOM 3966 CB GLU B 117 31.260 -30.985 -1.503 1.00 0.66 C ATOM 3967 CG GLU B 117 31.196 -31.182 0.013 1.00 0.72 C ATOM 3968 CD GLU B 117 29.763 -31.523 0.426 1.00 0.73 C ATOM 3969 OE1 GLU B 117 28.952 -31.752 -0.457 1.00 1.29 O ATOM 3970 OE2 GLU B 117 29.500 -31.550 1.617 1.00 1.28 O ATOM 0 H GLU B 117 32.238 -28.756 -0.972 1.00 0.68 H new ATOM 0 HA GLU B 117 33.383 -31.337 -1.467 1.00 0.68 H new ATOM 0 HB2 GLU B 117 30.572 -30.196 -1.807 1.00 0.66 H new ATOM 0 HB3 GLU B 117 30.946 -31.896 -2.012 1.00 0.66 H new ATOM 0 HG2 GLU B 117 31.872 -31.982 0.315 1.00 0.72 H new ATOM 0 HG3 GLU B 117 31.526 -30.276 0.522 1.00 0.72 H new ATOM 3977 N LEU B 118 32.386 -29.631 -4.102 1.00 0.58 N ATOM 3978 CA LEU B 118 32.474 -29.608 -5.589 1.00 0.56 C ATOM 3979 C LEU B 118 33.942 -29.727 -6.014 1.00 0.64 C ATOM 3980 O LEU B 118 34.270 -30.422 -6.954 1.00 0.67 O ATOM 3981 CB LEU B 118 31.878 -28.288 -6.096 1.00 0.51 C ATOM 3982 CG LEU B 118 31.934 -28.209 -7.631 1.00 0.52 C ATOM 3983 CD1 LEU B 118 31.054 -29.322 -8.255 1.00 0.53 C ATOM 3984 CD2 LEU B 118 31.456 -26.807 -8.065 1.00 0.53 C ATOM 0 H LEU B 118 31.972 -28.800 -3.680 1.00 0.58 H new ATOM 0 HA LEU B 118 31.918 -30.444 -6.014 1.00 0.56 H new ATOM 0 HB2 LEU B 118 30.844 -28.200 -5.762 1.00 0.51 H new ATOM 0 HB3 LEU B 118 32.425 -27.449 -5.665 1.00 0.51 H new ATOM 0 HG LEU B 118 32.954 -28.364 -7.982 1.00 0.52 H new ATOM 0 HD11 LEU B 118 31.101 -29.257 -9.342 1.00 0.53 H new ATOM 0 HD12 LEU B 118 31.419 -30.298 -7.934 1.00 0.53 H new ATOM 0 HD13 LEU B 118 30.022 -29.196 -7.928 1.00 0.53 H new ATOM 0 HD21 LEU B 118 31.489 -26.732 -9.152 1.00 0.53 H new ATOM 0 HD22 LEU B 118 30.434 -26.648 -7.721 1.00 0.53 H new ATOM 0 HD23 LEU B 118 32.107 -26.049 -7.629 1.00 0.53 H new ATOM 3996 N GLN B 119 34.827 -29.054 -5.329 1.00 0.71 N ATOM 3997 CA GLN B 119 36.272 -29.131 -5.692 1.00 0.81 C ATOM 3998 C GLN B 119 36.743 -30.582 -5.578 1.00 0.86 C ATOM 3999 O GLN B 119 37.514 -31.065 -6.384 1.00 0.92 O ATOM 4000 CB GLN B 119 37.090 -28.267 -4.731 1.00 0.88 C ATOM 4001 CG GLN B 119 36.805 -26.787 -4.992 1.00 0.87 C ATOM 4002 CD GLN B 119 37.512 -25.944 -3.930 1.00 0.95 C ATOM 4003 OE1 GLN B 119 37.678 -26.377 -2.807 1.00 1.29 O ATOM 4004 NE2 GLN B 119 37.942 -24.752 -4.238 1.00 1.45 N ATOM 0 H GLN B 119 34.612 -28.454 -4.533 1.00 0.71 H new ATOM 0 HA GLN B 119 36.408 -28.773 -6.713 1.00 0.81 H new ATOM 0 HB2 GLN B 119 36.841 -28.518 -3.700 1.00 0.88 H new ATOM 0 HB3 GLN B 119 38.153 -28.470 -4.860 1.00 0.88 H new ATOM 0 HG2 GLN B 119 37.153 -26.507 -5.986 1.00 0.87 H new ATOM 0 HG3 GLN B 119 35.731 -26.601 -4.966 1.00 0.87 H new ATOM 0 HE21 GLN B 119 37.803 -24.388 -5.180 1.00 1.45 H new ATOM 0 HE22 GLN B 119 38.417 -24.184 -3.536 1.00 1.45 H new ATOM 4013 N LYS B 120 36.292 -31.274 -4.566 1.00 0.86 N ATOM 4014 CA LYS B 120 36.715 -32.691 -4.372 1.00 0.93 C ATOM 4015 C LYS B 120 36.313 -33.523 -5.582 1.00 0.90 C ATOM 4016 O LYS B 120 37.059 -34.364 -6.041 1.00 0.99 O ATOM 4017 CB LYS B 120 36.000 -33.257 -3.146 1.00 0.95 C ATOM 4018 CG LYS B 120 36.542 -32.615 -1.863 1.00 1.01 C ATOM 4019 CD LYS B 120 37.848 -33.298 -1.414 1.00 1.57 C ATOM 4020 CE LYS B 120 38.002 -33.134 0.098 1.00 1.89 C ATOM 4021 NZ LYS B 120 39.363 -33.556 0.528 1.00 2.45 N ATOM 0 H LYS B 120 35.646 -30.917 -3.862 1.00 0.86 H new ATOM 0 HA LYS B 120 37.797 -32.726 -4.242 1.00 0.93 H new ATOM 0 HB2 LYS B 120 34.928 -33.074 -3.226 1.00 0.95 H new ATOM 0 HB3 LYS B 120 36.137 -34.338 -3.105 1.00 0.95 H new ATOM 0 HG2 LYS B 120 36.722 -31.553 -2.031 1.00 1.01 H new ATOM 0 HG3 LYS B 120 35.797 -32.691 -1.071 1.00 1.01 H new ATOM 0 HD2 LYS B 120 37.830 -34.355 -1.678 1.00 1.57 H new ATOM 0 HD3 LYS B 120 38.701 -32.856 -1.929 1.00 1.57 H new ATOM 0 HE2 LYS B 120 37.831 -32.094 0.377 1.00 1.89 H new ATOM 0 HE3 LYS B 120 37.249 -33.730 0.614 1.00 1.89 H new ATOM 0 HZ1 LYS B 120 39.454 -33.439 1.557 1.00 2.45 H new ATOM 0 HZ2 LYS B 120 39.512 -34.555 0.278 1.00 2.45 H new ATOM 0 HZ3 LYS B 120 40.076 -32.969 0.049 1.00 2.45 H new ATOM 4035 N LEU B 121 35.144 -33.304 -6.106 1.00 0.80 N ATOM 4036 CA LEU B 121 34.735 -34.102 -7.285 1.00 0.78 C ATOM 4037 C LEU B 121 35.752 -33.834 -8.399 1.00 0.86 C ATOM 4038 O LEU B 121 36.263 -34.753 -9.009 1.00 0.95 O ATOM 4039 CB LEU B 121 33.320 -33.724 -7.730 1.00 0.67 C ATOM 4040 CG LEU B 121 32.309 -33.913 -6.581 1.00 0.67 C ATOM 4041 CD1 LEU B 121 30.965 -33.248 -6.939 1.00 0.62 C ATOM 4042 CD2 LEU B 121 32.057 -35.408 -6.327 1.00 0.77 C ATOM 0 H LEU B 121 34.465 -32.619 -5.775 1.00 0.80 H new ATOM 0 HA LEU B 121 34.718 -35.164 -7.040 1.00 0.78 H new ATOM 0 HB2 LEU B 121 33.305 -32.687 -8.065 1.00 0.67 H new ATOM 0 HB3 LEU B 121 33.027 -34.338 -8.582 1.00 0.67 H new ATOM 0 HG LEU B 121 32.728 -33.452 -5.686 1.00 0.67 H new ATOM 0 HD11 LEU B 121 30.260 -33.389 -6.120 1.00 0.62 H new ATOM 0 HD12 LEU B 121 31.120 -32.182 -7.106 1.00 0.62 H new ATOM 0 HD13 LEU B 121 30.564 -33.703 -7.845 1.00 0.62 H new ATOM 0 HD21 LEU B 121 31.341 -35.523 -5.513 1.00 0.77 H new ATOM 0 HD22 LEU B 121 31.656 -35.868 -7.230 1.00 0.77 H new ATOM 0 HD23 LEU B 121 32.994 -35.894 -6.057 1.00 0.77 H new ATOM 4054 N ASN B 122 36.075 -32.584 -8.648 1.00 0.88 N ATOM 4055 CA ASN B 122 37.092 -32.249 -9.700 1.00 1.02 C ATOM 4056 C ASN B 122 38.240 -31.453 -9.072 1.00 1.08 C ATOM 4057 O ASN B 122 38.493 -30.326 -9.449 1.00 1.15 O ATOM 4058 CB ASN B 122 36.470 -31.384 -10.801 1.00 1.10 C ATOM 4059 CG ASN B 122 37.481 -31.228 -11.942 1.00 1.30 C ATOM 4060 OD1 ASN B 122 37.198 -31.705 -13.123 1.00 1.77 O flip ATOM 4061 ND2 ASN B 122 38.543 -30.669 -11.758 1.00 1.70 N flip ATOM 0 H ASN B 122 35.676 -31.779 -8.166 1.00 0.88 H new ATOM 0 HA ASN B 122 37.455 -33.184 -10.126 1.00 1.02 H new ATOM 0 HB2 ASN B 122 35.554 -31.845 -11.170 1.00 1.10 H new ATOM 0 HB3 ASN B 122 36.197 -30.407 -10.403 1.00 1.10 H new ATOM 0 HD21 ASN B 122 38.769 -30.294 -10.837 1.00 1.70 H new ATOM 0 HD22 ASN B 122 39.209 -30.574 -12.525 1.00 1.70 H new ATOM 4068 N SER B 123 38.948 -32.016 -8.126 1.00 1.09 N ATOM 4069 CA SER B 123 40.086 -31.271 -7.504 1.00 1.18 C ATOM 4070 C SER B 123 41.379 -31.641 -8.237 1.00 1.37 C ATOM 4071 O SER B 123 41.567 -32.815 -8.508 1.00 1.92 O ATOM 4072 CB SER B 123 40.192 -31.653 -6.021 1.00 1.16 C ATOM 4073 OG SER B 123 41.457 -32.245 -5.756 1.00 1.84 O ATOM 4074 OXT SER B 123 42.158 -30.744 -8.514 1.00 1.65 O ATOM 0 H SER B 123 38.789 -32.954 -7.759 1.00 1.09 H new ATOM 0 HA SER B 123 39.920 -30.196 -7.582 1.00 1.18 H new ATOM 0 HB2 SER B 123 40.059 -30.767 -5.399 1.00 1.16 H new ATOM 0 HB3 SER B 123 39.395 -32.349 -5.759 1.00 1.16 H new ATOM 0 HG SER B 123 41.514 -32.483 -4.807 1.00 1.84 H new TER 4080 SER B 123 ATOM 4081 N ALA C 1 20.695 -41.072 -16.714 1.00 0.82 N ATOM 4082 CA ALA C 1 20.322 -41.160 -15.274 1.00 0.80 C ATOM 4083 C ALA C 1 20.563 -39.801 -14.607 1.00 0.71 C ATOM 4084 O ALA C 1 20.458 -39.658 -13.407 1.00 0.70 O ATOM 4085 CB ALA C 1 21.185 -42.240 -14.601 1.00 0.90 C ATOM 0 H1 ALA C 1 20.565 -42.001 -17.164 1.00 0.82 H new ATOM 0 H2 ALA C 1 20.090 -40.371 -17.187 1.00 0.82 H new ATOM 0 H3 ALA C 1 21.690 -40.783 -16.798 1.00 0.82 H new ATOM 0 HA ALA C 1 19.269 -41.424 -15.172 1.00 0.80 H new ATOM 0 HB1 ALA C 1 20.920 -42.313 -13.546 1.00 0.90 H new ATOM 0 HB2 ALA C 1 21.010 -43.200 -15.086 1.00 0.90 H new ATOM 0 HB3 ALA C 1 22.238 -41.974 -14.693 1.00 0.90 H new ATOM 4093 N GLN C 2 20.897 -38.806 -15.378 1.00 0.67 N ATOM 4094 CA GLN C 2 21.166 -37.461 -14.796 1.00 0.60 C ATOM 4095 C GLN C 2 19.858 -36.797 -14.356 1.00 0.52 C ATOM 4096 O GLN C 2 18.825 -36.964 -14.973 1.00 0.52 O ATOM 4097 CB GLN C 2 21.865 -36.604 -15.848 1.00 0.62 C ATOM 4098 CG GLN C 2 23.237 -37.216 -16.133 1.00 0.72 C ATOM 4099 CD GLN C 2 23.916 -36.465 -17.277 1.00 1.27 C ATOM 4100 OE1 GLN C 2 23.346 -35.562 -17.854 1.00 2.01 O ATOM 4101 NE2 GLN C 2 25.121 -36.812 -17.633 1.00 1.88 N ATOM 0 H GLN C 2 20.996 -38.866 -16.391 1.00 0.67 H new ATOM 0 HA GLN C 2 21.804 -37.563 -13.919 1.00 0.60 H new ATOM 0 HB2 GLN C 2 21.270 -36.564 -16.761 1.00 0.62 H new ATOM 0 HB3 GLN C 2 21.973 -35.579 -15.492 1.00 0.62 H new ATOM 0 HG2 GLN C 2 23.858 -37.171 -15.238 1.00 0.72 H new ATOM 0 HG3 GLN C 2 23.128 -38.269 -16.392 1.00 0.72 H new ATOM 0 HE21 GLN C 2 25.598 -37.571 -17.146 1.00 1.88 H new ATOM 0 HE22 GLN C 2 25.587 -36.324 -18.398 1.00 1.88 H new ATOM 4110 N SER C 3 19.898 -36.050 -13.283 1.00 0.47 N ATOM 4111 CA SER C 3 18.663 -35.377 -12.785 1.00 0.41 C ATOM 4112 C SER C 3 18.526 -33.997 -13.432 1.00 0.37 C ATOM 4113 O SER C 3 18.475 -32.988 -12.756 1.00 0.34 O ATOM 4114 CB SER C 3 18.757 -35.216 -11.264 1.00 0.40 C ATOM 4115 OG SER C 3 19.353 -36.377 -10.704 1.00 1.37 O ATOM 0 H SER C 3 20.737 -35.877 -12.729 1.00 0.47 H new ATOM 0 HA SER C 3 17.793 -35.982 -13.042 1.00 0.41 H new ATOM 0 HB2 SER C 3 19.348 -34.334 -11.016 1.00 0.40 H new ATOM 0 HB3 SER C 3 17.764 -35.063 -10.841 1.00 0.40 H new ATOM 0 HG SER C 3 19.416 -36.276 -9.731 1.00 1.37 H new ATOM 4121 N ARG C 4 18.452 -33.940 -14.732 1.00 0.41 N ATOM 4122 CA ARG C 4 18.302 -32.619 -15.403 1.00 0.42 C ATOM 4123 C ARG C 4 16.955 -32.009 -15.041 1.00 0.42 C ATOM 4124 O ARG C 4 16.842 -30.820 -14.813 1.00 0.43 O ATOM 4125 CB ARG C 4 18.439 -32.773 -16.918 1.00 0.51 C ATOM 4126 CG ARG C 4 19.920 -32.954 -17.246 1.00 0.90 C ATOM 4127 CD ARG C 4 20.131 -33.076 -18.749 1.00 1.03 C ATOM 4128 NE ARG C 4 19.623 -34.394 -19.219 1.00 1.97 N ATOM 4129 CZ ARG C 4 19.582 -34.658 -20.496 1.00 2.55 C ATOM 4130 NH1 ARG C 4 20.037 -33.787 -21.355 1.00 2.53 N ATOM 4131 NH2 ARG C 4 19.110 -35.800 -20.912 1.00 3.56 N ATOM 0 H ARG C 4 18.489 -34.746 -15.356 1.00 0.41 H new ATOM 0 HA ARG C 4 19.092 -31.951 -15.059 1.00 0.42 H new ATOM 0 HB2 ARG C 4 17.865 -33.631 -17.267 1.00 0.51 H new ATOM 0 HB3 ARG C 4 18.041 -31.895 -17.427 1.00 0.51 H new ATOM 0 HG2 ARG C 4 20.488 -32.107 -16.862 1.00 0.90 H new ATOM 0 HG3 ARG C 4 20.301 -33.845 -16.747 1.00 0.90 H new ATOM 0 HD2 ARG C 4 19.611 -32.269 -19.266 1.00 1.03 H new ATOM 0 HD3 ARG C 4 21.190 -32.977 -18.987 1.00 1.03 H new ATOM 0 HE ARG C 4 19.307 -35.090 -18.543 1.00 1.97 H new ATOM 0 HH11 ARG C 4 20.424 -32.902 -21.027 1.00 2.53 H new ATOM 0 HH12 ARG C 4 20.006 -33.992 -22.354 1.00 2.53 H new ATOM 0 HH21 ARG C 4 18.772 -36.488 -20.239 1.00 3.56 H new ATOM 0 HH22 ARG C 4 19.078 -36.005 -21.911 1.00 3.56 H new ATOM 4145 N THR C 5 15.935 -32.809 -14.969 1.00 0.45 N ATOM 4146 CA THR C 5 14.607 -32.260 -14.602 1.00 0.49 C ATOM 4147 C THR C 5 14.725 -31.599 -13.227 1.00 0.44 C ATOM 4148 O THR C 5 14.177 -30.541 -12.988 1.00 0.46 O ATOM 4149 CB THR C 5 13.591 -33.404 -14.555 1.00 0.54 C ATOM 4150 OG1 THR C 5 12.303 -32.879 -14.270 1.00 0.68 O ATOM 4151 CG2 THR C 5 13.989 -34.412 -13.472 1.00 0.56 C ATOM 0 H THR C 5 15.962 -33.813 -15.147 1.00 0.45 H new ATOM 0 HA THR C 5 14.275 -31.524 -15.334 1.00 0.49 H new ATOM 0 HB THR C 5 13.573 -33.910 -15.520 1.00 0.54 H new ATOM 0 HG1 THR C 5 11.651 -33.610 -14.241 1.00 0.68 H new ATOM 0 HG21 THR C 5 13.261 -35.223 -13.445 1.00 0.56 H new ATOM 0 HG22 THR C 5 14.976 -34.817 -13.697 1.00 0.56 H new ATOM 0 HG23 THR C 5 14.014 -33.914 -12.503 1.00 0.56 H new ATOM 4159 N LEU C 6 15.453 -32.202 -12.326 1.00 0.39 N ATOM 4160 CA LEU C 6 15.621 -31.589 -10.978 1.00 0.37 C ATOM 4161 C LEU C 6 16.433 -30.295 -11.123 1.00 0.32 C ATOM 4162 O LEU C 6 16.117 -29.286 -10.526 1.00 0.33 O ATOM 4163 CB LEU C 6 16.345 -32.586 -10.061 1.00 0.35 C ATOM 4164 CG LEU C 6 16.547 -31.997 -8.652 1.00 0.35 C ATOM 4165 CD1 LEU C 6 15.191 -31.758 -7.936 1.00 0.41 C ATOM 4166 CD2 LEU C 6 17.437 -32.946 -7.820 1.00 0.37 C ATOM 0 H LEU C 6 15.937 -33.089 -12.465 1.00 0.39 H new ATOM 0 HA LEU C 6 14.652 -31.352 -10.539 1.00 0.37 H new ATOM 0 HB2 LEU C 6 15.768 -33.508 -9.994 1.00 0.35 H new ATOM 0 HB3 LEU C 6 17.312 -32.846 -10.492 1.00 0.35 H new ATOM 0 HG LEU C 6 17.039 -31.029 -8.750 1.00 0.35 H new ATOM 0 HD11 LEU C 6 15.371 -31.342 -6.945 1.00 0.41 H new ATOM 0 HD12 LEU C 6 14.590 -31.060 -8.519 1.00 0.41 H new ATOM 0 HD13 LEU C 6 14.658 -32.704 -7.841 1.00 0.41 H new ATOM 0 HD21 LEU C 6 17.580 -32.530 -6.823 1.00 0.37 H new ATOM 0 HD22 LEU C 6 16.955 -33.920 -7.741 1.00 0.37 H new ATOM 0 HD23 LEU C 6 18.405 -33.059 -8.309 1.00 0.37 H new ATOM 4178 N LEU C 7 17.461 -30.308 -11.932 1.00 0.29 N ATOM 4179 CA LEU C 7 18.270 -29.069 -12.133 1.00 0.27 C ATOM 4180 C LEU C 7 17.377 -27.986 -12.738 1.00 0.30 C ATOM 4181 O LEU C 7 17.462 -26.827 -12.384 1.00 0.29 O ATOM 4182 CB LEU C 7 19.443 -29.361 -13.075 1.00 0.27 C ATOM 4183 CG LEU C 7 20.543 -30.120 -12.310 1.00 0.24 C ATOM 4184 CD1 LEU C 7 21.523 -30.778 -13.294 1.00 0.27 C ATOM 4185 CD2 LEU C 7 21.320 -29.158 -11.385 1.00 0.23 C ATOM 0 H LEU C 7 17.775 -31.122 -12.461 1.00 0.29 H new ATOM 0 HA LEU C 7 18.664 -28.728 -11.176 1.00 0.27 H new ATOM 0 HB2 LEU C 7 19.102 -29.953 -13.924 1.00 0.27 H new ATOM 0 HB3 LEU C 7 19.842 -28.429 -13.476 1.00 0.27 H new ATOM 0 HG LEU C 7 20.065 -30.891 -11.706 1.00 0.24 H new ATOM 0 HD11 LEU C 7 22.294 -31.311 -12.738 1.00 0.27 H new ATOM 0 HD12 LEU C 7 20.984 -31.480 -13.930 1.00 0.27 H new ATOM 0 HD13 LEU C 7 21.987 -30.010 -13.914 1.00 0.27 H new ATOM 0 HD21 LEU C 7 22.093 -29.711 -10.852 1.00 0.23 H new ATOM 0 HD22 LEU C 7 21.782 -28.372 -11.983 1.00 0.23 H new ATOM 0 HD23 LEU C 7 20.633 -28.710 -10.666 1.00 0.23 H new ATOM 4197 N ALA C 8 16.518 -28.355 -13.649 1.00 0.35 N ATOM 4198 CA ALA C 8 15.623 -27.342 -14.271 1.00 0.39 C ATOM 4199 C ALA C 8 14.802 -26.671 -13.167 1.00 0.38 C ATOM 4200 O ALA C 8 14.624 -25.470 -13.158 1.00 0.39 O ATOM 4201 CB ALA C 8 14.692 -28.032 -15.278 1.00 0.45 C ATOM 0 H ALA C 8 16.399 -29.310 -13.987 1.00 0.35 H new ATOM 0 HA ALA C 8 16.211 -26.590 -14.796 1.00 0.39 H new ATOM 0 HB1 ALA C 8 14.036 -27.291 -15.734 1.00 0.45 H new ATOM 0 HB2 ALA C 8 15.288 -28.515 -16.053 1.00 0.45 H new ATOM 0 HB3 ALA C 8 14.090 -28.781 -14.763 1.00 0.45 H new ATOM 4207 N GLY C 9 14.317 -27.437 -12.227 1.00 0.38 N ATOM 4208 CA GLY C 9 13.525 -26.838 -11.116 1.00 0.39 C ATOM 4209 C GLY C 9 14.445 -25.971 -10.253 1.00 0.34 C ATOM 4210 O GLY C 9 14.117 -24.852 -9.911 1.00 0.34 O ATOM 0 H GLY C 9 14.435 -28.449 -12.181 1.00 0.38 H new ATOM 0 HA2 GLY C 9 12.710 -26.236 -11.518 1.00 0.39 H new ATOM 0 HA3 GLY C 9 13.073 -27.624 -10.511 1.00 0.39 H new ATOM 4214 N ILE C 10 15.598 -26.478 -9.900 1.00 0.30 N ATOM 4215 CA ILE C 10 16.542 -25.681 -9.062 1.00 0.27 C ATOM 4216 C ILE C 10 16.917 -24.396 -9.802 1.00 0.25 C ATOM 4217 O ILE C 10 16.883 -23.318 -9.244 1.00 0.25 O ATOM 4218 CB ILE C 10 17.819 -26.492 -8.794 1.00 0.25 C ATOM 4219 CG1 ILE C 10 17.479 -27.729 -7.949 1.00 0.28 C ATOM 4220 CG2 ILE C 10 18.883 -25.634 -8.060 1.00 0.26 C ATOM 4221 CD1 ILE C 10 18.744 -28.598 -7.769 1.00 0.26 C ATOM 0 H ILE C 10 15.926 -27.409 -10.156 1.00 0.30 H new ATOM 0 HA ILE C 10 16.059 -25.440 -8.115 1.00 0.27 H new ATOM 0 HB ILE C 10 18.233 -26.803 -9.753 1.00 0.25 H new ATOM 0 HG12 ILE C 10 17.095 -27.423 -6.976 1.00 0.28 H new ATOM 0 HG13 ILE C 10 16.694 -28.308 -8.434 1.00 0.28 H new ATOM 0 HG21 ILE C 10 19.776 -26.234 -7.884 1.00 0.26 H new ATOM 0 HG22 ILE C 10 19.141 -24.771 -8.674 1.00 0.26 H new ATOM 0 HG23 ILE C 10 18.481 -25.293 -7.106 1.00 0.26 H new ATOM 0 HD11 ILE C 10 18.501 -29.475 -7.169 1.00 0.26 H new ATOM 0 HD12 ILE C 10 19.109 -28.916 -8.746 1.00 0.26 H new ATOM 0 HD13 ILE C 10 19.516 -28.017 -7.265 1.00 0.26 H new ATOM 4233 N VAL C 11 17.289 -24.496 -11.050 1.00 0.26 N ATOM 4234 CA VAL C 11 17.678 -23.266 -11.797 1.00 0.27 C ATOM 4235 C VAL C 11 16.485 -22.309 -11.818 1.00 0.28 C ATOM 4236 O VAL C 11 16.632 -21.113 -11.657 1.00 0.28 O ATOM 4237 CB VAL C 11 18.075 -23.639 -13.237 1.00 0.30 C ATOM 4238 CG1 VAL C 11 18.245 -22.358 -14.070 1.00 0.35 C ATOM 4239 CG2 VAL C 11 19.385 -24.468 -13.234 1.00 0.29 C ATOM 0 H VAL C 11 17.340 -25.366 -11.580 1.00 0.26 H new ATOM 0 HA VAL C 11 18.528 -22.787 -11.311 1.00 0.27 H new ATOM 0 HB VAL C 11 17.289 -24.248 -13.683 1.00 0.30 H new ATOM 0 HG11 VAL C 11 18.526 -22.622 -15.090 1.00 0.35 H new ATOM 0 HG12 VAL C 11 17.305 -21.806 -14.084 1.00 0.35 H new ATOM 0 HG13 VAL C 11 19.024 -21.737 -13.628 1.00 0.35 H new ATOM 0 HG21 VAL C 11 19.655 -24.725 -14.258 1.00 0.29 H new ATOM 0 HG22 VAL C 11 20.186 -23.881 -12.784 1.00 0.29 H new ATOM 0 HG23 VAL C 11 19.236 -25.381 -12.657 1.00 0.29 H new ATOM 4249 N GLN C 12 15.306 -22.828 -12.009 1.00 0.32 N ATOM 4250 CA GLN C 12 14.103 -21.950 -12.032 1.00 0.34 C ATOM 4251 C GLN C 12 13.909 -21.319 -10.651 1.00 0.32 C ATOM 4252 O GLN C 12 13.548 -20.165 -10.533 1.00 0.33 O ATOM 4253 CB GLN C 12 12.866 -22.791 -12.409 1.00 0.39 C ATOM 4254 CG GLN C 12 12.378 -22.431 -13.815 1.00 1.18 C ATOM 4255 CD GLN C 12 11.151 -23.277 -14.154 1.00 1.63 C ATOM 4256 OE1 GLN C 12 11.262 -24.467 -14.375 1.00 1.99 O ATOM 4257 NE2 GLN C 12 9.977 -22.710 -14.194 1.00 2.40 N ATOM 0 H GLN C 12 15.122 -23.821 -12.150 1.00 0.32 H new ATOM 0 HA GLN C 12 14.236 -21.159 -12.770 1.00 0.34 H new ATOM 0 HB2 GLN C 12 13.113 -23.852 -12.364 1.00 0.39 H new ATOM 0 HB3 GLN C 12 12.068 -22.619 -11.686 1.00 0.39 H new ATOM 0 HG2 GLN C 12 12.129 -21.371 -13.866 1.00 1.18 H new ATOM 0 HG3 GLN C 12 13.169 -22.608 -14.544 1.00 1.18 H new ATOM 0 HE21 GLN C 12 9.886 -21.711 -14.008 1.00 2.40 H new ATOM 0 HE22 GLN C 12 9.150 -23.265 -14.411 1.00 2.40 H new ATOM 4266 N GLN C 13 14.127 -22.065 -9.605 1.00 0.30 N ATOM 4267 CA GLN C 13 13.927 -21.493 -8.247 1.00 0.29 C ATOM 4268 C GLN C 13 14.860 -20.295 -8.065 1.00 0.25 C ATOM 4269 O GLN C 13 14.482 -19.285 -7.506 1.00 0.25 O ATOM 4270 CB GLN C 13 14.221 -22.563 -7.188 1.00 0.29 C ATOM 4271 CG GLN C 13 13.870 -22.039 -5.789 1.00 0.30 C ATOM 4272 CD GLN C 13 12.348 -21.988 -5.606 1.00 0.38 C ATOM 4273 OE1 GLN C 13 11.668 -21.207 -6.240 1.00 0.84 O ATOM 4274 NE2 GLN C 13 11.780 -22.785 -4.744 1.00 0.64 N ATOM 0 H GLN C 13 14.432 -23.038 -9.631 1.00 0.30 H new ATOM 0 HA GLN C 13 12.894 -21.163 -8.133 1.00 0.29 H new ATOM 0 HB2 GLN C 13 13.645 -23.463 -7.401 1.00 0.29 H new ATOM 0 HB3 GLN C 13 15.274 -22.842 -7.226 1.00 0.29 H new ATOM 0 HG2 GLN C 13 14.313 -22.684 -5.030 1.00 0.30 H new ATOM 0 HG3 GLN C 13 14.293 -21.044 -5.649 1.00 0.30 H new ATOM 0 HE21 GLN C 13 12.346 -23.443 -4.208 1.00 0.64 H new ATOM 0 HE22 GLN C 13 10.770 -22.750 -4.606 1.00 0.64 H new ATOM 4283 N GLN C 14 16.070 -20.389 -8.542 1.00 0.22 N ATOM 4284 CA GLN C 14 17.008 -19.242 -8.402 1.00 0.20 C ATOM 4285 C GLN C 14 16.431 -18.030 -9.136 1.00 0.22 C ATOM 4286 O GLN C 14 16.481 -16.917 -8.653 1.00 0.21 O ATOM 4287 CB GLN C 14 18.357 -19.616 -9.016 1.00 0.20 C ATOM 4288 CG GLN C 14 19.039 -20.667 -8.141 1.00 0.18 C ATOM 4289 CD GLN C 14 20.388 -21.042 -8.753 1.00 0.19 C ATOM 4290 OE1 GLN C 14 21.452 -21.053 -7.998 1.00 0.28 O flip ATOM 4291 NE2 GLN C 14 20.477 -21.324 -9.932 1.00 0.23 N flip ATOM 0 H GLN C 14 16.448 -21.207 -9.020 1.00 0.22 H new ATOM 0 HA GLN C 14 17.143 -19.001 -7.348 1.00 0.20 H new ATOM 0 HB2 GLN C 14 18.215 -20.003 -10.025 1.00 0.20 H new ATOM 0 HB3 GLN C 14 18.988 -18.732 -9.100 1.00 0.20 H new ATOM 0 HG2 GLN C 14 19.180 -20.279 -7.132 1.00 0.18 H new ATOM 0 HG3 GLN C 14 18.407 -21.551 -8.057 1.00 0.18 H new ATOM 0 HE21 GLN C 14 19.645 -21.316 -10.523 1.00 0.23 H new ATOM 0 HE22 GLN C 14 21.383 -21.569 -10.331 1.00 0.23 H new ATOM 4300 N GLN C 15 15.882 -18.241 -10.301 1.00 0.26 N ATOM 4301 CA GLN C 15 15.299 -17.105 -11.068 1.00 0.29 C ATOM 4302 C GLN C 15 14.178 -16.460 -10.249 1.00 0.28 C ATOM 4303 O GLN C 15 14.076 -15.253 -10.161 1.00 0.29 O ATOM 4304 CB GLN C 15 14.734 -17.624 -12.394 1.00 0.34 C ATOM 4305 CG GLN C 15 14.153 -16.461 -13.203 1.00 0.38 C ATOM 4306 CD GLN C 15 13.653 -16.980 -14.553 1.00 0.44 C ATOM 4307 OE1 GLN C 15 13.599 -18.173 -14.775 1.00 0.82 O ATOM 4308 NE2 GLN C 15 13.287 -16.128 -15.471 1.00 0.81 N ATOM 0 H GLN C 15 15.812 -19.152 -10.755 1.00 0.26 H new ATOM 0 HA GLN C 15 16.072 -16.364 -11.269 1.00 0.29 H new ATOM 0 HB2 GLN C 15 15.519 -18.119 -12.965 1.00 0.34 H new ATOM 0 HB3 GLN C 15 13.961 -18.368 -12.204 1.00 0.34 H new ATOM 0 HG2 GLN C 15 13.334 -15.995 -12.654 1.00 0.38 H new ATOM 0 HG3 GLN C 15 14.912 -15.694 -13.355 1.00 0.38 H new ATOM 0 HE21 GLN C 15 13.332 -15.126 -15.284 1.00 0.81 H new ATOM 0 HE22 GLN C 15 12.955 -16.464 -16.375 1.00 0.81 H new ATOM 4317 N GLN C 16 13.333 -17.257 -9.652 1.00 0.28 N ATOM 4318 CA GLN C 16 12.218 -16.687 -8.845 1.00 0.29 C ATOM 4319 C GLN C 16 12.791 -15.908 -7.658 1.00 0.25 C ATOM 4320 O GLN C 16 12.316 -14.843 -7.318 1.00 0.26 O ATOM 4321 CB GLN C 16 11.328 -17.825 -8.339 1.00 0.31 C ATOM 4322 CG GLN C 16 10.567 -18.429 -9.522 1.00 0.36 C ATOM 4323 CD GLN C 16 9.673 -19.571 -9.034 1.00 0.40 C ATOM 4324 OE1 GLN C 16 9.549 -19.788 -7.754 1.00 0.93 O flip ATOM 4325 NE2 GLN C 16 9.072 -20.268 -9.828 1.00 0.87 N flip ATOM 0 H GLN C 16 13.367 -18.276 -9.689 1.00 0.28 H new ATOM 0 HA GLN C 16 11.626 -16.012 -9.462 1.00 0.29 H new ATOM 0 HB2 GLN C 16 11.935 -18.589 -7.852 1.00 0.31 H new ATOM 0 HB3 GLN C 16 10.627 -17.451 -7.592 1.00 0.31 H new ATOM 0 HG2 GLN C 16 9.962 -17.663 -10.006 1.00 0.36 H new ATOM 0 HG3 GLN C 16 11.270 -18.799 -10.268 1.00 0.36 H new ATOM 0 HE21 GLN C 16 9.168 -20.099 -10.829 1.00 0.87 H new ATOM 0 HE22 GLN C 16 8.472 -21.021 -9.493 1.00 0.87 H new ATOM 4334 N LEU C 17 13.822 -16.418 -7.037 1.00 0.22 N ATOM 4335 CA LEU C 17 14.429 -15.685 -5.889 1.00 0.19 C ATOM 4336 C LEU C 17 15.011 -14.365 -6.396 1.00 0.18 C ATOM 4337 O LEU C 17 14.883 -13.333 -5.767 1.00 0.18 O ATOM 4338 CB LEU C 17 15.548 -16.530 -5.270 1.00 0.16 C ATOM 4339 CG LEU C 17 14.969 -17.745 -4.531 1.00 0.18 C ATOM 4340 CD1 LEU C 17 16.109 -18.714 -4.200 1.00 0.18 C ATOM 4341 CD2 LEU C 17 14.287 -17.304 -3.226 1.00 0.20 C ATOM 0 H LEU C 17 14.267 -17.305 -7.274 1.00 0.22 H new ATOM 0 HA LEU C 17 13.667 -15.491 -5.134 1.00 0.19 H new ATOM 0 HB2 LEU C 17 16.231 -16.865 -6.051 1.00 0.16 H new ATOM 0 HB3 LEU C 17 16.129 -15.921 -4.578 1.00 0.16 H new ATOM 0 HG LEU C 17 14.230 -18.231 -5.168 1.00 0.18 H new ATOM 0 HD11 LEU C 17 15.709 -19.581 -3.675 1.00 0.18 H new ATOM 0 HD12 LEU C 17 16.590 -19.039 -5.123 1.00 0.18 H new ATOM 0 HD13 LEU C 17 16.841 -18.212 -3.567 1.00 0.18 H new ATOM 0 HD21 LEU C 17 13.882 -18.177 -2.714 1.00 0.20 H new ATOM 0 HD22 LEU C 17 15.016 -16.812 -2.582 1.00 0.20 H new ATOM 0 HD23 LEU C 17 13.478 -16.610 -3.455 1.00 0.20 H new ATOM 4353 N LEU C 18 15.644 -14.392 -7.535 1.00 0.19 N ATOM 4354 CA LEU C 18 16.232 -13.145 -8.096 1.00 0.20 C ATOM 4355 C LEU C 18 15.116 -12.120 -8.316 1.00 0.22 C ATOM 4356 O LEU C 18 15.259 -10.955 -8.004 1.00 0.23 O ATOM 4357 CB LEU C 18 16.908 -13.477 -9.432 1.00 0.22 C ATOM 4358 CG LEU C 18 17.534 -12.219 -10.053 1.00 0.25 C ATOM 4359 CD1 LEU C 18 18.653 -11.675 -9.138 1.00 0.26 C ATOM 4360 CD2 LEU C 18 18.111 -12.567 -11.436 1.00 0.29 C ATOM 0 H LEU C 18 15.780 -15.228 -8.104 1.00 0.19 H new ATOM 0 HA LEU C 18 16.969 -12.730 -7.408 1.00 0.20 H new ATOM 0 HB2 LEU C 18 17.677 -14.233 -9.277 1.00 0.22 H new ATOM 0 HB3 LEU C 18 16.177 -13.902 -10.119 1.00 0.22 H new ATOM 0 HG LEU C 18 16.767 -11.452 -10.161 1.00 0.25 H new ATOM 0 HD11 LEU C 18 19.090 -10.783 -9.588 1.00 0.26 H new ATOM 0 HD12 LEU C 18 18.235 -11.422 -8.163 1.00 0.26 H new ATOM 0 HD13 LEU C 18 19.425 -12.435 -9.016 1.00 0.26 H new ATOM 0 HD21 LEU C 18 18.556 -11.676 -11.879 1.00 0.29 H new ATOM 0 HD22 LEU C 18 18.874 -13.338 -11.328 1.00 0.29 H new ATOM 0 HD23 LEU C 18 17.313 -12.933 -12.082 1.00 0.29 H new ATOM 4372 N ASP C 19 14.007 -12.544 -8.858 1.00 0.25 N ATOM 4373 CA ASP C 19 12.886 -11.593 -9.105 1.00 0.28 C ATOM 4374 C ASP C 19 12.428 -10.973 -7.782 1.00 0.27 C ATOM 4375 O ASP C 19 12.260 -9.775 -7.677 1.00 0.28 O ATOM 4376 CB ASP C 19 11.717 -12.346 -9.748 1.00 0.32 C ATOM 4377 CG ASP C 19 10.559 -11.380 -10.009 1.00 0.36 C ATOM 4378 OD1 ASP C 19 10.624 -10.261 -9.528 1.00 1.12 O ATOM 4379 OD2 ASP C 19 9.626 -11.777 -10.687 1.00 1.13 O ATOM 0 H ASP C 19 13.829 -13.508 -9.140 1.00 0.25 H new ATOM 0 HA ASP C 19 13.225 -10.801 -9.772 1.00 0.28 H new ATOM 0 HB2 ASP C 19 12.038 -12.804 -10.683 1.00 0.32 H new ATOM 0 HB3 ASP C 19 11.389 -13.153 -9.094 1.00 0.32 H new ATOM 4384 N VAL C 20 12.216 -11.773 -6.771 1.00 0.25 N ATOM 4385 CA VAL C 20 11.760 -11.213 -5.467 1.00 0.24 C ATOM 4386 C VAL C 20 12.791 -10.219 -4.929 1.00 0.21 C ATOM 4387 O VAL C 20 12.445 -9.186 -4.392 1.00 0.23 O ATOM 4388 CB VAL C 20 11.580 -12.336 -4.442 1.00 0.24 C ATOM 4389 CG1 VAL C 20 11.223 -11.730 -3.073 1.00 0.24 C ATOM 4390 CG2 VAL C 20 10.460 -13.266 -4.907 1.00 0.30 C ATOM 0 H VAL C 20 12.338 -12.785 -6.792 1.00 0.25 H new ATOM 0 HA VAL C 20 10.809 -10.706 -5.628 1.00 0.24 H new ATOM 0 HB VAL C 20 12.506 -12.903 -4.350 1.00 0.24 H new ATOM 0 HG11 VAL C 20 11.095 -12.530 -2.343 1.00 0.24 H new ATOM 0 HG12 VAL C 20 12.025 -11.067 -2.748 1.00 0.24 H new ATOM 0 HG13 VAL C 20 10.296 -11.163 -3.157 1.00 0.24 H new ATOM 0 HG21 VAL C 20 10.328 -14.068 -4.181 1.00 0.30 H new ATOM 0 HG22 VAL C 20 9.532 -12.701 -4.997 1.00 0.30 H new ATOM 0 HG23 VAL C 20 10.720 -13.693 -5.875 1.00 0.30 H new ATOM 4400 N VAL C 21 14.053 -10.521 -5.058 1.00 0.18 N ATOM 4401 CA VAL C 21 15.090 -9.586 -4.540 1.00 0.18 C ATOM 4402 C VAL C 21 14.925 -8.254 -5.264 1.00 0.22 C ATOM 4403 O VAL C 21 14.974 -7.197 -4.664 1.00 0.21 O ATOM 4404 CB VAL C 21 16.483 -10.168 -4.838 1.00 0.17 C ATOM 4405 CG1 VAL C 21 17.590 -9.143 -4.509 1.00 0.21 C ATOM 4406 CG2 VAL C 21 16.697 -11.476 -4.033 1.00 0.15 C ATOM 0 H VAL C 21 14.410 -11.370 -5.497 1.00 0.18 H new ATOM 0 HA VAL C 21 14.983 -9.446 -3.464 1.00 0.18 H new ATOM 0 HB VAL C 21 16.541 -10.396 -5.902 1.00 0.17 H new ATOM 0 HG11 VAL C 21 18.565 -9.578 -4.728 1.00 0.21 H new ATOM 0 HG12 VAL C 21 17.448 -8.247 -5.114 1.00 0.21 H new ATOM 0 HG13 VAL C 21 17.539 -8.879 -3.453 1.00 0.21 H new ATOM 0 HG21 VAL C 21 17.686 -11.880 -4.251 1.00 0.15 H new ATOM 0 HG22 VAL C 21 16.619 -11.264 -2.967 1.00 0.15 H new ATOM 0 HG23 VAL C 21 15.937 -12.205 -4.315 1.00 0.15 H new ATOM 4416 N LYS C 22 14.742 -8.298 -6.551 1.00 0.28 N ATOM 4417 CA LYS C 22 14.591 -7.034 -7.313 1.00 0.33 C ATOM 4418 C LYS C 22 13.379 -6.268 -6.788 1.00 0.32 C ATOM 4419 O LYS C 22 13.401 -5.059 -6.661 1.00 0.33 O ATOM 4420 CB LYS C 22 14.387 -7.354 -8.793 1.00 0.39 C ATOM 4421 CG LYS C 22 14.297 -6.043 -9.570 1.00 0.46 C ATOM 4422 CD LYS C 22 14.215 -6.326 -11.067 1.00 0.75 C ATOM 4423 CE LYS C 22 14.230 -4.995 -11.818 1.00 1.12 C ATOM 4424 NZ LYS C 22 13.885 -5.222 -13.248 1.00 1.91 N ATOM 0 H LYS C 22 14.691 -9.152 -7.106 1.00 0.28 H new ATOM 0 HA LYS C 22 15.488 -6.426 -7.192 1.00 0.33 H new ATOM 0 HB2 LYS C 22 15.214 -7.958 -9.166 1.00 0.39 H new ATOM 0 HB3 LYS C 22 13.477 -7.938 -8.931 1.00 0.39 H new ATOM 0 HG2 LYS C 22 13.420 -5.481 -9.250 1.00 0.46 H new ATOM 0 HG3 LYS C 22 15.168 -5.424 -9.356 1.00 0.46 H new ATOM 0 HD2 LYS C 22 15.054 -6.947 -11.381 1.00 0.75 H new ATOM 0 HD3 LYS C 22 13.305 -6.880 -11.298 1.00 0.75 H new ATOM 0 HE2 LYS C 22 13.518 -4.304 -11.367 1.00 1.12 H new ATOM 0 HE3 LYS C 22 15.214 -4.534 -11.740 1.00 1.12 H new ATOM 0 HZ1 LYS C 22 13.896 -4.315 -13.756 1.00 1.91 H new ATOM 0 HZ2 LYS C 22 14.581 -5.866 -13.675 1.00 1.91 H new ATOM 0 HZ3 LYS C 22 12.937 -5.644 -13.314 1.00 1.91 H new ATOM 4438 N ARG C 23 12.322 -6.963 -6.488 1.00 0.33 N ATOM 4439 CA ARG C 23 11.102 -6.283 -5.978 1.00 0.34 C ATOM 4440 C ARG C 23 11.425 -5.550 -4.678 1.00 0.29 C ATOM 4441 O ARG C 23 10.975 -4.445 -4.448 1.00 0.29 O ATOM 4442 CB ARG C 23 10.024 -7.337 -5.724 1.00 0.39 C ATOM 4443 CG ARG C 23 9.640 -8.030 -7.054 1.00 0.59 C ATOM 4444 CD ARG C 23 8.140 -7.908 -7.301 1.00 0.93 C ATOM 4445 NE ARG C 23 7.831 -8.682 -8.549 1.00 0.81 N ATOM 4446 CZ ARG C 23 7.315 -8.141 -9.611 1.00 1.05 C ATOM 4447 NH1 ARG C 23 7.074 -6.858 -9.651 1.00 1.68 N ATOM 4448 NH2 ARG C 23 7.047 -8.883 -10.650 1.00 1.08 N ATOM 0 H ARG C 23 12.249 -7.977 -6.574 1.00 0.33 H new ATOM 0 HA ARG C 23 10.747 -5.559 -6.711 1.00 0.34 H new ATOM 0 HB2 ARG C 23 10.387 -8.076 -5.010 1.00 0.39 H new ATOM 0 HB3 ARG C 23 9.145 -6.871 -5.280 1.00 0.39 H new ATOM 0 HG2 ARG C 23 10.189 -7.577 -7.880 1.00 0.59 H new ATOM 0 HG3 ARG C 23 9.925 -9.081 -7.020 1.00 0.59 H new ATOM 0 HD2 ARG C 23 7.577 -8.302 -6.455 1.00 0.93 H new ATOM 0 HD3 ARG C 23 7.853 -6.863 -7.416 1.00 0.93 H new ATOM 0 HE ARG C 23 8.036 -9.681 -8.564 1.00 0.81 H new ATOM 0 HH11 ARG C 23 7.291 -6.273 -8.844 1.00 1.68 H new ATOM 0 HH12 ARG C 23 6.669 -6.441 -10.489 1.00 1.68 H new ATOM 0 HH21 ARG C 23 7.243 -9.884 -10.626 1.00 1.08 H new ATOM 0 HH22 ARG C 23 6.642 -8.462 -11.486 1.00 1.08 H new ATOM 4462 N GLN C 24 12.211 -6.151 -3.832 1.00 0.24 N ATOM 4463 CA GLN C 24 12.573 -5.483 -2.553 1.00 0.19 C ATOM 4464 C GLN C 24 13.289 -4.172 -2.875 1.00 0.19 C ATOM 4465 O GLN C 24 13.096 -3.167 -2.221 1.00 0.19 O ATOM 4466 CB GLN C 24 13.492 -6.398 -1.741 1.00 0.16 C ATOM 4467 CG GLN C 24 12.687 -7.598 -1.235 1.00 0.17 C ATOM 4468 CD GLN C 24 13.600 -8.539 -0.448 1.00 0.17 C ATOM 4469 OE1 GLN C 24 14.791 -8.588 -0.683 1.00 0.19 O ATOM 4470 NE2 GLN C 24 13.087 -9.296 0.484 1.00 0.18 N ATOM 0 H GLN C 24 12.619 -7.076 -3.970 1.00 0.24 H new ATOM 0 HA GLN C 24 11.677 -5.278 -1.967 1.00 0.19 H new ATOM 0 HB2 GLN C 24 14.325 -6.737 -2.357 1.00 0.16 H new ATOM 0 HB3 GLN C 24 13.920 -5.851 -0.901 1.00 0.16 H new ATOM 0 HG2 GLN C 24 11.868 -7.257 -0.602 1.00 0.17 H new ATOM 0 HG3 GLN C 24 12.240 -8.129 -2.076 1.00 0.17 H new ATOM 0 HE21 GLN C 24 12.087 -9.255 0.681 1.00 0.18 H new ATOM 0 HE22 GLN C 24 13.686 -9.928 1.015 1.00 0.18 H new ATOM 4479 N GLN C 25 14.116 -4.180 -3.885 1.00 0.21 N ATOM 4480 CA GLN C 25 14.851 -2.941 -4.263 1.00 0.23 C ATOM 4481 C GLN C 25 13.852 -1.836 -4.618 1.00 0.25 C ATOM 4482 O GLN C 25 13.961 -0.717 -4.157 1.00 0.25 O ATOM 4483 CB GLN C 25 15.731 -3.236 -5.481 1.00 0.28 C ATOM 4484 CG GLN C 25 16.634 -2.036 -5.777 1.00 0.32 C ATOM 4485 CD GLN C 25 17.636 -1.855 -4.635 1.00 0.34 C ATOM 4486 OE1 GLN C 25 18.310 -2.790 -4.250 1.00 1.06 O ATOM 4487 NE2 GLN C 25 17.763 -0.685 -4.074 1.00 1.13 N ATOM 0 H GLN C 25 14.314 -4.995 -4.466 1.00 0.21 H new ATOM 0 HA GLN C 25 15.469 -2.613 -3.427 1.00 0.23 H new ATOM 0 HB2 GLN C 25 16.339 -4.122 -5.295 1.00 0.28 H new ATOM 0 HB3 GLN C 25 15.106 -3.454 -6.347 1.00 0.28 H new ATOM 0 HG2 GLN C 25 17.163 -2.189 -6.718 1.00 0.32 H new ATOM 0 HG3 GLN C 25 16.032 -1.135 -5.893 1.00 0.32 H new ATOM 0 HE21 GLN C 25 17.197 0.100 -4.397 1.00 1.13 H new ATOM 0 HE22 GLN C 25 18.428 -0.554 -3.312 1.00 1.13 H new ATOM 4496 N GLU C 26 12.878 -2.137 -5.434 1.00 0.27 N ATOM 4497 CA GLU C 26 11.878 -1.099 -5.815 1.00 0.29 C ATOM 4498 C GLU C 26 11.053 -0.706 -4.586 1.00 0.26 C ATOM 4499 O GLU C 26 10.753 0.452 -4.371 1.00 0.26 O ATOM 4500 CB GLU C 26 10.959 -1.663 -6.901 1.00 0.34 C ATOM 4501 CG GLU C 26 11.751 -1.810 -8.202 1.00 0.54 C ATOM 4502 CD GLU C 26 10.846 -2.380 -9.296 1.00 1.19 C ATOM 4503 OE1 GLU C 26 9.790 -2.887 -8.959 1.00 1.85 O ATOM 4504 OE2 GLU C 26 11.223 -2.292 -10.453 1.00 1.94 O ATOM 0 H GLU C 26 12.732 -3.056 -5.853 1.00 0.27 H new ATOM 0 HA GLU C 26 12.390 -0.215 -6.196 1.00 0.29 H new ATOM 0 HB2 GLU C 26 10.561 -2.630 -6.592 1.00 0.34 H new ATOM 0 HB3 GLU C 26 10.106 -1.001 -7.053 1.00 0.34 H new ATOM 0 HG2 GLU C 26 12.145 -0.842 -8.511 1.00 0.54 H new ATOM 0 HG3 GLU C 26 12.607 -2.467 -8.046 1.00 0.54 H new ATOM 4511 N LEU C 27 10.697 -1.659 -3.770 1.00 0.24 N ATOM 4512 CA LEU C 27 9.908 -1.337 -2.549 1.00 0.22 C ATOM 4513 C LEU C 27 10.738 -0.419 -1.650 1.00 0.19 C ATOM 4514 O LEU C 27 10.235 0.519 -1.062 1.00 0.20 O ATOM 4515 CB LEU C 27 9.565 -2.637 -1.812 1.00 0.22 C ATOM 4516 CG LEU C 27 8.902 -2.340 -0.456 1.00 0.22 C ATOM 4517 CD1 LEU C 27 7.715 -1.385 -0.655 1.00 0.25 C ATOM 4518 CD2 LEU C 27 8.424 -3.663 0.196 1.00 0.23 C ATOM 0 H LEU C 27 10.918 -2.647 -3.896 1.00 0.24 H new ATOM 0 HA LEU C 27 8.982 -0.831 -2.820 1.00 0.22 H new ATOM 0 HB2 LEU C 27 8.895 -3.241 -2.424 1.00 0.22 H new ATOM 0 HB3 LEU C 27 10.471 -3.223 -1.658 1.00 0.22 H new ATOM 0 HG LEU C 27 9.628 -1.865 0.204 1.00 0.22 H new ATOM 0 HD11 LEU C 27 7.249 -1.178 0.308 1.00 0.25 H new ATOM 0 HD12 LEU C 27 8.068 -0.452 -1.095 1.00 0.25 H new ATOM 0 HD13 LEU C 27 6.984 -1.846 -1.320 1.00 0.25 H new ATOM 0 HD21 LEU C 27 7.955 -3.447 1.156 1.00 0.23 H new ATOM 0 HD22 LEU C 27 7.702 -4.151 -0.459 1.00 0.23 H new ATOM 0 HD23 LEU C 27 9.278 -4.322 0.350 1.00 0.23 H new ATOM 4530 N LEU C 28 12.010 -0.683 -1.545 1.00 0.18 N ATOM 4531 CA LEU C 28 12.887 0.169 -0.694 1.00 0.18 C ATOM 4532 C LEU C 28 12.856 1.610 -1.208 1.00 0.20 C ATOM 4533 O LEU C 28 12.843 2.553 -0.444 1.00 0.20 O ATOM 4534 CB LEU C 28 14.324 -0.366 -0.762 1.00 0.18 C ATOM 4535 CG LEU C 28 14.485 -1.619 0.122 1.00 0.18 C ATOM 4536 CD1 LEU C 28 15.720 -2.445 -0.333 1.00 0.21 C ATOM 4537 CD2 LEU C 28 14.653 -1.194 1.595 1.00 0.21 C ATOM 0 H LEU C 28 12.482 -1.456 -2.014 1.00 0.18 H new ATOM 0 HA LEU C 28 12.533 0.146 0.336 1.00 0.18 H new ATOM 0 HB2 LEU C 28 14.578 -0.609 -1.794 1.00 0.18 H new ATOM 0 HB3 LEU C 28 15.020 0.407 -0.436 1.00 0.18 H new ATOM 0 HG LEU C 28 13.594 -2.239 0.023 1.00 0.18 H new ATOM 0 HD11 LEU C 28 15.821 -3.327 0.300 1.00 0.21 H new ATOM 0 HD12 LEU C 28 15.588 -2.756 -1.369 1.00 0.21 H new ATOM 0 HD13 LEU C 28 16.618 -1.833 -0.249 1.00 0.21 H new ATOM 0 HD21 LEU C 28 14.767 -2.081 2.219 1.00 0.21 H new ATOM 0 HD22 LEU C 28 15.538 -0.565 1.694 1.00 0.21 H new ATOM 0 HD23 LEU C 28 13.773 -0.636 1.915 1.00 0.21 H new ATOM 4549 N ARG C 29 12.861 1.790 -2.498 1.00 0.22 N ATOM 4550 CA ARG C 29 12.847 3.171 -3.050 1.00 0.24 C ATOM 4551 C ARG C 29 11.571 3.890 -2.616 1.00 0.24 C ATOM 4552 O ARG C 29 11.589 5.056 -2.275 1.00 0.24 O ATOM 4553 CB ARG C 29 12.913 3.099 -4.573 1.00 0.28 C ATOM 4554 CG ARG C 29 14.296 2.585 -4.968 1.00 0.29 C ATOM 4555 CD ARG C 29 14.422 2.526 -6.487 1.00 0.33 C ATOM 4556 NE ARG C 29 15.743 1.915 -6.810 1.00 0.38 N ATOM 4557 CZ ARG C 29 16.096 1.712 -8.047 1.00 0.88 C ATOM 4558 NH1 ARG C 29 15.332 2.129 -9.019 1.00 1.82 N ATOM 4559 NH2 ARG C 29 17.225 1.113 -8.310 1.00 0.86 N ATOM 0 H ARG C 29 12.874 1.043 -3.192 1.00 0.22 H new ATOM 0 HA ARG C 29 13.707 3.726 -2.674 1.00 0.24 H new ATOM 0 HB2 ARG C 29 12.137 2.436 -4.956 1.00 0.28 H new ATOM 0 HB3 ARG C 29 12.735 4.082 -5.008 1.00 0.28 H new ATOM 0 HG2 ARG C 29 15.066 3.238 -4.557 1.00 0.29 H new ATOM 0 HG3 ARG C 29 14.459 1.594 -4.544 1.00 0.29 H new ATOM 0 HD2 ARG C 29 13.612 1.935 -6.915 1.00 0.33 H new ATOM 0 HD3 ARG C 29 14.348 3.525 -6.916 1.00 0.33 H new ATOM 0 HE ARG C 29 16.377 1.653 -6.055 1.00 0.38 H new ATOM 0 HH11 ARG C 29 14.459 2.614 -8.810 1.00 1.82 H new ATOM 0 HH12 ARG C 29 15.608 1.971 -9.988 1.00 1.82 H new ATOM 0 HH21 ARG C 29 17.829 0.805 -7.548 1.00 0.86 H new ATOM 0 HH22 ARG C 29 17.504 0.953 -9.278 1.00 0.86 H new ATOM 4573 N LEU C 30 10.463 3.203 -2.614 1.00 0.23 N ATOM 4574 CA LEU C 30 9.194 3.854 -2.190 1.00 0.23 C ATOM 4575 C LEU C 30 9.322 4.291 -0.729 1.00 0.21 C ATOM 4576 O LEU C 30 8.874 5.354 -0.348 1.00 0.22 O ATOM 4577 CB LEU C 30 8.041 2.856 -2.335 1.00 0.24 C ATOM 4578 CG LEU C 30 7.917 2.405 -3.796 1.00 0.27 C ATOM 4579 CD1 LEU C 30 6.785 1.381 -3.902 1.00 0.29 C ATOM 4580 CD2 LEU C 30 7.621 3.613 -4.703 1.00 0.34 C ATOM 0 H LEU C 30 10.382 2.223 -2.886 1.00 0.23 H new ATOM 0 HA LEU C 30 8.995 4.725 -2.814 1.00 0.23 H new ATOM 0 HB2 LEU C 30 8.214 1.992 -1.693 1.00 0.24 H new ATOM 0 HB3 LEU C 30 7.108 3.315 -2.007 1.00 0.24 H new ATOM 0 HG LEU C 30 8.855 1.954 -4.120 1.00 0.27 H new ATOM 0 HD11 LEU C 30 6.687 1.053 -4.937 1.00 0.29 H new ATOM 0 HD12 LEU C 30 7.010 0.523 -3.269 1.00 0.29 H new ATOM 0 HD13 LEU C 30 5.850 1.837 -3.576 1.00 0.29 H new ATOM 0 HD21 LEU C 30 7.535 3.279 -5.737 1.00 0.34 H new ATOM 0 HD22 LEU C 30 6.686 4.080 -4.394 1.00 0.34 H new ATOM 0 HD23 LEU C 30 8.432 4.337 -4.621 1.00 0.34 H new ATOM 4592 N THR C 31 9.932 3.481 0.091 1.00 0.19 N ATOM 4593 CA THR C 31 10.089 3.856 1.525 1.00 0.18 C ATOM 4594 C THR C 31 10.987 5.092 1.632 1.00 0.18 C ATOM 4595 O THR C 31 10.737 5.987 2.417 1.00 0.18 O ATOM 4596 CB THR C 31 10.708 2.683 2.298 1.00 0.17 C ATOM 4597 OG1 THR C 31 11.963 2.352 1.722 1.00 0.18 O ATOM 4598 CG2 THR C 31 9.785 1.451 2.242 1.00 0.19 C ATOM 0 H THR C 31 10.328 2.578 -0.169 1.00 0.19 H new ATOM 0 HA THR C 31 9.114 4.086 1.954 1.00 0.18 H new ATOM 0 HB THR C 31 10.839 2.979 3.339 1.00 0.17 H new ATOM 0 HG1 THR C 31 11.964 2.601 0.774 1.00 0.18 H new ATOM 0 HG21 THR C 31 10.240 0.630 2.795 1.00 0.19 H new ATOM 0 HG22 THR C 31 8.821 1.698 2.687 1.00 0.19 H new ATOM 0 HG23 THR C 31 9.639 1.152 1.204 1.00 0.19 H new ATOM 4606 N VAL C 32 12.024 5.157 0.842 1.00 0.18 N ATOM 4607 CA VAL C 32 12.928 6.342 0.890 1.00 0.19 C ATOM 4608 C VAL C 32 12.140 7.603 0.523 1.00 0.20 C ATOM 4609 O VAL C 32 12.319 8.652 1.108 1.00 0.21 O ATOM 4610 CB VAL C 32 14.082 6.132 -0.105 1.00 0.22 C ATOM 4611 CG1 VAL C 32 14.892 7.442 -0.265 1.00 0.23 C ATOM 4612 CG2 VAL C 32 14.985 4.972 0.389 1.00 0.22 C ATOM 0 H VAL C 32 12.285 4.440 0.165 1.00 0.18 H new ATOM 0 HA VAL C 32 13.333 6.460 1.895 1.00 0.19 H new ATOM 0 HB VAL C 32 13.679 5.866 -1.082 1.00 0.22 H new ATOM 0 HG11 VAL C 32 15.706 7.282 -0.972 1.00 0.23 H new ATOM 0 HG12 VAL C 32 14.238 8.231 -0.637 1.00 0.23 H new ATOM 0 HG13 VAL C 32 15.302 7.736 0.701 1.00 0.23 H new ATOM 0 HG21 VAL C 32 15.803 4.822 -0.316 1.00 0.22 H new ATOM 0 HG22 VAL C 32 15.391 5.220 1.370 1.00 0.22 H new ATOM 0 HG23 VAL C 32 14.396 4.058 0.461 1.00 0.22 H new ATOM 4622 N TRP C 33 11.271 7.506 -0.446 1.00 0.21 N ATOM 4623 CA TRP C 33 10.470 8.692 -0.860 1.00 0.23 C ATOM 4624 C TRP C 33 9.629 9.200 0.315 1.00 0.23 C ATOM 4625 O TRP C 33 9.540 10.388 0.552 1.00 0.23 O ATOM 4626 CB TRP C 33 9.549 8.298 -2.017 1.00 0.25 C ATOM 4627 CG TRP C 33 8.723 9.475 -2.423 1.00 0.27 C ATOM 4628 CD1 TRP C 33 9.160 10.513 -3.173 1.00 0.32 C ATOM 4629 CD2 TRP C 33 7.323 9.747 -2.122 1.00 0.27 C ATOM 4630 NE1 TRP C 33 8.122 11.410 -3.347 1.00 0.34 N ATOM 4631 CE2 TRP C 33 6.967 10.985 -2.720 1.00 0.31 C ATOM 4632 CE3 TRP C 33 6.336 9.049 -1.392 1.00 0.26 C ATOM 4633 CZ2 TRP C 33 5.674 11.511 -2.598 1.00 0.32 C ATOM 4634 CZ3 TRP C 33 5.035 9.574 -1.268 1.00 0.29 C ATOM 4635 CH2 TRP C 33 4.705 10.802 -1.870 1.00 0.31 C ATOM 0 H TRP C 33 11.081 6.652 -0.971 1.00 0.21 H new ATOM 0 HA TRP C 33 11.145 9.487 -1.178 1.00 0.23 H new ATOM 0 HB2 TRP C 33 10.140 7.947 -2.863 1.00 0.25 H new ATOM 0 HB3 TRP C 33 8.903 7.474 -1.716 1.00 0.25 H new ATOM 0 HD1 TRP C 33 10.158 10.623 -3.571 1.00 0.32 H new ATOM 0 HE1 TRP C 33 8.200 12.280 -3.874 1.00 0.34 H new ATOM 0 HE3 TRP C 33 6.580 8.106 -0.926 1.00 0.26 H new ATOM 0 HZ2 TRP C 33 5.425 12.455 -3.060 1.00 0.32 H new ATOM 0 HZ3 TRP C 33 4.287 9.032 -0.708 1.00 0.29 H new ATOM 0 HH2 TRP C 33 3.706 11.200 -1.772 1.00 0.31 H new ATOM 4646 N GLY C 34 9.002 8.320 1.049 1.00 0.22 N ATOM 4647 CA GLY C 34 8.164 8.777 2.192 1.00 0.23 C ATOM 4648 C GLY C 34 9.020 9.547 3.201 1.00 0.22 C ATOM 4649 O GLY C 34 8.636 10.596 3.679 1.00 0.23 O ATOM 0 H GLY C 34 9.034 7.310 0.907 1.00 0.22 H new ATOM 0 HA2 GLY C 34 7.357 9.413 1.829 1.00 0.23 H new ATOM 0 HA3 GLY C 34 7.700 7.919 2.678 1.00 0.23 H new ATOM 4653 N THR C 35 10.172 9.035 3.539 1.00 0.22 N ATOM 4654 CA THR C 35 11.039 9.741 4.527 1.00 0.24 C ATOM 4655 C THR C 35 11.416 11.125 3.987 1.00 0.24 C ATOM 4656 O THR C 35 11.281 12.127 4.664 1.00 0.24 O ATOM 4657 CB THR C 35 12.312 8.908 4.744 1.00 0.27 C ATOM 4658 OG1 THR C 35 11.941 7.605 5.171 1.00 0.30 O ATOM 4659 CG2 THR C 35 13.218 9.541 5.815 1.00 0.30 C ATOM 0 H THR C 35 10.550 8.160 3.175 1.00 0.22 H new ATOM 0 HA THR C 35 10.506 9.862 5.470 1.00 0.24 H new ATOM 0 HB THR C 35 12.862 8.868 3.804 1.00 0.27 H new ATOM 0 HG1 THR C 35 12.747 7.065 5.311 1.00 0.30 H new ATOM 0 HG21 THR C 35 14.110 8.928 5.945 1.00 0.30 H new ATOM 0 HG22 THR C 35 13.509 10.543 5.500 1.00 0.30 H new ATOM 0 HG23 THR C 35 12.678 9.601 6.760 1.00 0.30 H new ATOM 4667 N LYS C 36 11.890 11.186 2.773 1.00 0.25 N ATOM 4668 CA LYS C 36 12.285 12.497 2.181 1.00 0.28 C ATOM 4669 C LYS C 36 11.068 13.416 2.108 1.00 0.28 C ATOM 4670 O LYS C 36 11.155 14.604 2.349 1.00 0.30 O ATOM 4671 CB LYS C 36 12.804 12.268 0.764 1.00 0.32 C ATOM 4672 CG LYS C 36 14.135 11.512 0.822 1.00 0.47 C ATOM 4673 CD LYS C 36 14.577 11.091 -0.599 1.00 0.77 C ATOM 4674 CE LYS C 36 15.518 12.126 -1.255 1.00 1.44 C ATOM 4675 NZ LYS C 36 16.823 11.464 -1.540 1.00 2.00 N ATOM 0 H LYS C 36 12.022 10.380 2.162 1.00 0.25 H new ATOM 0 HA LYS C 36 13.057 12.954 2.800 1.00 0.28 H new ATOM 0 HB2 LYS C 36 12.076 11.699 0.186 1.00 0.32 H new ATOM 0 HB3 LYS C 36 12.938 13.223 0.256 1.00 0.32 H new ATOM 0 HG2 LYS C 36 14.899 12.143 1.276 1.00 0.47 H new ATOM 0 HG3 LYS C 36 14.033 10.630 1.454 1.00 0.47 H new ATOM 0 HD2 LYS C 36 15.082 10.126 -0.548 1.00 0.77 H new ATOM 0 HD3 LYS C 36 13.695 10.957 -1.226 1.00 0.77 H new ATOM 0 HE2 LYS C 36 15.078 12.508 -2.176 1.00 1.44 H new ATOM 0 HE3 LYS C 36 15.663 12.980 -0.593 1.00 1.44 H new ATOM 0 HZ1 LYS C 36 17.470 12.148 -1.983 1.00 2.00 H new ATOM 0 HZ2 LYS C 36 17.239 11.119 -0.651 1.00 2.00 H new ATOM 0 HZ3 LYS C 36 16.672 10.662 -2.185 1.00 2.00 H new ATOM 4689 N ASN C 37 9.935 12.875 1.758 1.00 0.27 N ATOM 4690 CA ASN C 37 8.715 13.717 1.647 1.00 0.30 C ATOM 4691 C ASN C 37 8.426 14.357 3.003 1.00 0.29 C ATOM 4692 O ASN C 37 8.061 15.513 3.089 1.00 0.33 O ATOM 4693 CB ASN C 37 7.531 12.845 1.226 1.00 0.32 C ATOM 4694 CG ASN C 37 6.277 13.711 1.104 1.00 0.37 C ATOM 4695 OD1 ASN C 37 6.307 14.889 1.401 1.00 0.74 O ATOM 4696 ND2 ASN C 37 5.168 13.175 0.672 1.00 0.48 N ATOM 0 H ASN C 37 9.802 11.886 1.544 1.00 0.27 H new ATOM 0 HA ASN C 37 8.870 14.496 0.901 1.00 0.30 H new ATOM 0 HB2 ASN C 37 7.744 12.359 0.274 1.00 0.32 H new ATOM 0 HB3 ASN C 37 7.370 12.054 1.958 1.00 0.32 H new ATOM 0 HD21 ASN C 37 4.327 13.745 0.584 1.00 0.48 H new ATOM 0 HD22 ASN C 37 5.143 12.186 0.423 1.00 0.48 H new ATOM 4703 N LEU C 38 8.602 13.624 4.067 1.00 0.26 N ATOM 4704 CA LEU C 38 8.349 14.211 5.410 1.00 0.27 C ATOM 4705 C LEU C 38 9.291 15.398 5.619 1.00 0.26 C ATOM 4706 O LEU C 38 8.912 16.413 6.168 1.00 0.28 O ATOM 4707 CB LEU C 38 8.612 13.158 6.491 1.00 0.26 C ATOM 4708 CG LEU C 38 7.533 12.064 6.452 1.00 0.30 C ATOM 4709 CD1 LEU C 38 7.941 10.930 7.411 1.00 0.34 C ATOM 4710 CD2 LEU C 38 6.163 12.652 6.851 1.00 0.35 C ATOM 0 H LEU C 38 8.908 12.651 4.064 1.00 0.26 H new ATOM 0 HA LEU C 38 7.313 14.542 5.476 1.00 0.27 H new ATOM 0 HB2 LEU C 38 9.595 12.712 6.341 1.00 0.26 H new ATOM 0 HB3 LEU C 38 8.623 13.631 7.473 1.00 0.26 H new ATOM 0 HG LEU C 38 7.445 11.666 5.441 1.00 0.30 H new ATOM 0 HD11 LEU C 38 7.183 10.147 7.392 1.00 0.34 H new ATOM 0 HD12 LEU C 38 8.899 10.515 7.097 1.00 0.34 H new ATOM 0 HD13 LEU C 38 8.031 11.324 8.423 1.00 0.34 H new ATOM 0 HD21 LEU C 38 5.407 11.867 6.819 1.00 0.35 H new ATOM 0 HD22 LEU C 38 6.222 13.059 7.860 1.00 0.35 H new ATOM 0 HD23 LEU C 38 5.891 13.446 6.155 1.00 0.35 H new ATOM 4722 N GLN C 39 10.519 15.277 5.193 1.00 0.25 N ATOM 4723 CA GLN C 39 11.486 16.397 5.375 1.00 0.29 C ATOM 4724 C GLN C 39 10.971 17.644 4.655 1.00 0.33 C ATOM 4725 O GLN C 39 11.065 18.744 5.160 1.00 0.35 O ATOM 4726 CB GLN C 39 12.838 15.999 4.786 1.00 0.31 C ATOM 4727 CG GLN C 39 13.860 17.112 5.024 1.00 0.39 C ATOM 4728 CD GLN C 39 15.227 16.662 4.505 1.00 0.44 C ATOM 4729 OE1 GLN C 39 15.363 15.571 3.986 1.00 0.84 O ATOM 4730 NE2 GLN C 39 16.254 17.458 4.626 1.00 0.97 N ATOM 0 H GLN C 39 10.894 14.451 4.727 1.00 0.25 H new ATOM 0 HA GLN C 39 11.595 16.610 6.438 1.00 0.29 H new ATOM 0 HB2 GLN C 39 13.184 15.072 5.243 1.00 0.31 H new ATOM 0 HB3 GLN C 39 12.737 15.809 3.717 1.00 0.31 H new ATOM 0 HG2 GLN C 39 13.547 18.024 4.515 1.00 0.39 H new ATOM 0 HG3 GLN C 39 13.920 17.345 6.087 1.00 0.39 H new ATOM 0 HE21 GLN C 39 16.141 18.374 5.061 1.00 0.97 H new ATOM 0 HE22 GLN C 39 17.170 17.165 4.285 1.00 0.97 H new ATOM 4739 N THR C 40 10.420 17.486 3.481 1.00 0.36 N ATOM 4740 CA THR C 40 9.901 18.676 2.750 1.00 0.42 C ATOM 4741 C THR C 40 8.818 19.339 3.601 1.00 0.41 C ATOM 4742 O THR C 40 8.754 20.547 3.716 1.00 0.43 O ATOM 4743 CB THR C 40 9.300 18.237 1.411 1.00 0.47 C ATOM 4744 OG1 THR C 40 8.156 17.431 1.654 1.00 0.46 O ATOM 4745 CG2 THR C 40 10.331 17.432 0.610 1.00 0.49 C ATOM 0 H THR C 40 10.308 16.593 3.001 1.00 0.36 H new ATOM 0 HA THR C 40 10.713 19.379 2.563 1.00 0.42 H new ATOM 0 HB THR C 40 9.016 19.120 0.838 1.00 0.47 H new ATOM 0 HG1 THR C 40 8.430 16.597 2.089 1.00 0.46 H new ATOM 0 HG21 THR C 40 9.894 17.125 -0.340 1.00 0.49 H new ATOM 0 HG22 THR C 40 11.209 18.050 0.423 1.00 0.49 H new ATOM 0 HG23 THR C 40 10.623 16.549 1.178 1.00 0.49 H new ATOM 4753 N ARG C 41 7.979 18.553 4.217 1.00 0.39 N ATOM 4754 CA ARG C 41 6.914 19.132 5.081 1.00 0.39 C ATOM 4755 C ARG C 41 7.575 19.830 6.256 1.00 0.35 C ATOM 4756 O ARG C 41 7.160 20.886 6.688 1.00 0.37 O ATOM 4757 CB ARG C 41 6.022 18.018 5.621 1.00 0.43 C ATOM 4758 CG ARG C 41 5.204 17.454 4.472 1.00 0.55 C ATOM 4759 CD ARG C 41 4.274 16.350 4.975 1.00 0.66 C ATOM 4760 NE ARG C 41 3.903 15.499 3.809 1.00 0.89 N ATOM 4761 CZ ARG C 41 3.493 16.051 2.702 1.00 1.04 C ATOM 4762 NH1 ARG C 41 2.993 17.257 2.713 1.00 1.22 N ATOM 4763 NH2 ARG C 41 3.525 15.374 1.593 1.00 1.32 N ATOM 0 H ARG C 41 7.985 17.535 4.159 1.00 0.39 H new ATOM 0 HA ARG C 41 6.313 19.832 4.500 1.00 0.39 H new ATOM 0 HB2 ARG C 41 6.628 17.234 6.075 1.00 0.43 H new ATOM 0 HB3 ARG C 41 5.365 18.404 6.400 1.00 0.43 H new ATOM 0 HG2 ARG C 41 4.619 18.249 4.009 1.00 0.55 H new ATOM 0 HG3 ARG C 41 5.868 17.058 3.704 1.00 0.55 H new ATOM 0 HD2 ARG C 41 4.769 15.753 5.741 1.00 0.66 H new ATOM 0 HD3 ARG C 41 3.383 16.780 5.433 1.00 0.66 H new ATOM 0 HE ARG C 41 3.970 14.484 3.878 1.00 0.89 H new ATOM 0 HH11 ARG C 41 2.922 17.772 3.591 1.00 1.22 H new ATOM 0 HH12 ARG C 41 2.674 17.685 1.844 1.00 1.22 H new ATOM 0 HH21 ARG C 41 3.870 14.414 1.591 1.00 1.32 H new ATOM 0 HH22 ARG C 41 3.205 15.803 0.724 1.00 1.32 H new ATOM 4777 N VAL C 42 8.602 19.230 6.782 1.00 0.33 N ATOM 4778 CA VAL C 42 9.292 19.843 7.938 1.00 0.35 C ATOM 4779 C VAL C 42 9.814 21.216 7.525 1.00 0.37 C ATOM 4780 O VAL C 42 9.666 22.170 8.253 1.00 0.40 O ATOM 4781 CB VAL C 42 10.448 18.942 8.382 1.00 0.37 C ATOM 4782 CG1 VAL C 42 11.319 19.677 9.409 1.00 0.43 C ATOM 4783 CG2 VAL C 42 9.874 17.670 9.012 1.00 0.37 C ATOM 0 H VAL C 42 8.991 18.344 6.460 1.00 0.33 H new ATOM 0 HA VAL C 42 8.601 19.956 8.773 1.00 0.35 H new ATOM 0 HB VAL C 42 11.061 18.684 7.519 1.00 0.37 H new ATOM 0 HG11 VAL C 42 12.139 19.030 9.720 1.00 0.43 H new ATOM 0 HG12 VAL C 42 11.723 20.585 8.960 1.00 0.43 H new ATOM 0 HG13 VAL C 42 10.715 19.940 10.277 1.00 0.43 H new ATOM 0 HG21 VAL C 42 10.690 17.022 9.331 1.00 0.37 H new ATOM 0 HG22 VAL C 42 9.262 17.935 9.874 1.00 0.37 H new ATOM 0 HG23 VAL C 42 9.260 17.146 8.279 1.00 0.37 H new ATOM 4793 N THR C 43 10.402 21.335 6.361 1.00 0.39 N ATOM 4794 CA THR C 43 10.921 22.669 5.932 1.00 0.45 C ATOM 4795 C THR C 43 9.777 23.687 5.927 1.00 0.44 C ATOM 4796 O THR C 43 9.930 24.813 6.364 1.00 0.47 O ATOM 4797 CB THR C 43 11.514 22.564 4.521 1.00 0.50 C ATOM 4798 OG1 THR C 43 10.497 22.170 3.611 1.00 0.50 O ATOM 4799 CG2 THR C 43 12.653 21.533 4.495 1.00 0.51 C ATOM 0 H THR C 43 10.544 20.575 5.696 1.00 0.39 H new ATOM 0 HA THR C 43 11.695 22.993 6.627 1.00 0.45 H new ATOM 0 HB THR C 43 11.913 23.536 4.231 1.00 0.50 H new ATOM 0 HG1 THR C 43 10.008 21.404 3.978 1.00 0.50 H new ATOM 0 HG21 THR C 43 13.064 21.470 3.487 1.00 0.51 H new ATOM 0 HG22 THR C 43 13.437 21.839 5.188 1.00 0.51 H new ATOM 0 HG23 THR C 43 12.268 20.558 4.792 1.00 0.51 H new ATOM 4807 N ALA C 44 8.625 23.300 5.456 1.00 0.41 N ATOM 4808 CA ALA C 44 7.477 24.248 5.445 1.00 0.43 C ATOM 4809 C ALA C 44 7.124 24.613 6.888 1.00 0.39 C ATOM 4810 O ALA C 44 6.814 25.747 7.197 1.00 0.39 O ATOM 4811 CB ALA C 44 6.272 23.591 4.761 1.00 0.45 C ATOM 0 H ALA C 44 8.429 22.372 5.080 1.00 0.41 H new ATOM 0 HA ALA C 44 7.745 25.150 4.894 1.00 0.43 H new ATOM 0 HB1 ALA C 44 5.433 24.287 4.754 1.00 0.45 H new ATOM 0 HB2 ALA C 44 6.534 23.329 3.736 1.00 0.45 H new ATOM 0 HB3 ALA C 44 5.991 22.690 5.306 1.00 0.45 H new ATOM 4817 N ILE C 45 7.167 23.655 7.773 1.00 0.35 N ATOM 4818 CA ILE C 45 6.831 23.938 9.195 1.00 0.32 C ATOM 4819 C ILE C 45 7.856 24.908 9.806 1.00 0.32 C ATOM 4820 O ILE C 45 7.495 25.785 10.565 1.00 0.31 O ATOM 4821 CB ILE C 45 6.791 22.630 9.995 1.00 0.31 C ATOM 4822 CG1 ILE C 45 5.585 21.791 9.541 1.00 0.32 C ATOM 4823 CG2 ILE C 45 6.649 22.962 11.484 1.00 0.30 C ATOM 4824 CD1 ILE C 45 5.697 20.334 10.049 1.00 0.33 C ATOM 0 H ILE C 45 7.421 22.688 7.571 1.00 0.35 H new ATOM 0 HA ILE C 45 5.847 24.406 9.236 1.00 0.32 H new ATOM 0 HB ILE C 45 7.708 22.065 9.828 1.00 0.31 H new ATOM 0 HG12 ILE C 45 4.665 22.240 9.914 1.00 0.32 H new ATOM 0 HG13 ILE C 45 5.523 21.796 8.453 1.00 0.32 H new ATOM 0 HG21 ILE C 45 6.620 22.038 12.062 1.00 0.30 H new ATOM 0 HG22 ILE C 45 7.499 23.564 11.805 1.00 0.30 H new ATOM 0 HG23 ILE C 45 5.727 23.521 11.646 1.00 0.30 H new ATOM 0 HD11 ILE C 45 4.831 19.764 9.713 1.00 0.33 H new ATOM 0 HD12 ILE C 45 6.606 19.880 9.654 1.00 0.33 H new ATOM 0 HD13 ILE C 45 5.733 20.330 11.138 1.00 0.33 H new ATOM 4836 N GLU C 46 9.126 24.767 9.508 1.00 0.35 N ATOM 4837 CA GLU C 46 10.120 25.706 10.117 1.00 0.36 C ATOM 4838 C GLU C 46 9.710 27.126 9.763 1.00 0.38 C ATOM 4839 O GLU C 46 9.795 28.043 10.555 1.00 0.38 O ATOM 4840 CB GLU C 46 11.524 25.515 9.526 1.00 0.44 C ATOM 4841 CG GLU C 46 11.925 24.048 9.503 1.00 1.20 C ATOM 4842 CD GLU C 46 13.365 23.942 9.001 1.00 1.67 C ATOM 4843 OE1 GLU C 46 13.582 24.206 7.829 1.00 2.26 O ATOM 4844 OE2 GLU C 46 14.226 23.604 9.794 1.00 2.17 O ATOM 0 H GLU C 46 9.511 24.059 8.883 1.00 0.35 H new ATOM 0 HA GLU C 46 10.140 25.515 11.190 1.00 0.36 H new ATOM 0 HB2 GLU C 46 11.551 25.916 8.513 1.00 0.44 H new ATOM 0 HB3 GLU C 46 12.247 26.082 10.113 1.00 0.44 H new ATOM 0 HG2 GLU C 46 11.840 23.617 10.501 1.00 1.20 H new ATOM 0 HG3 GLU C 46 11.256 23.483 8.854 1.00 1.20 H new ATOM 4851 N LYS C 47 9.301 27.300 8.544 1.00 0.41 N ATOM 4852 CA LYS C 47 8.917 28.649 8.068 1.00 0.43 C ATOM 4853 C LYS C 47 7.783 29.195 8.933 1.00 0.41 C ATOM 4854 O LYS C 47 7.839 30.306 9.421 1.00 0.42 O ATOM 4855 CB LYS C 47 8.466 28.513 6.605 1.00 0.48 C ATOM 4856 CG LYS C 47 9.293 29.428 5.706 1.00 1.21 C ATOM 4857 CD LYS C 47 8.897 29.170 4.250 1.00 1.54 C ATOM 4858 CE LYS C 47 9.369 30.315 3.345 1.00 2.30 C ATOM 4859 NZ LYS C 47 8.438 30.415 2.190 1.00 2.87 N ATOM 0 H LYS C 47 9.216 26.557 7.850 1.00 0.41 H new ATOM 0 HA LYS C 47 9.756 29.342 8.137 1.00 0.43 H new ATOM 0 HB2 LYS C 47 8.574 27.478 6.279 1.00 0.48 H new ATOM 0 HB3 LYS C 47 7.409 28.766 6.519 1.00 0.48 H new ATOM 0 HG2 LYS C 47 9.119 30.472 5.966 1.00 1.21 H new ATOM 0 HG3 LYS C 47 10.357 29.237 5.848 1.00 1.21 H new ATOM 0 HD2 LYS C 47 9.332 28.230 3.911 1.00 1.54 H new ATOM 0 HD3 LYS C 47 7.815 29.065 4.176 1.00 1.54 H new ATOM 0 HE2 LYS C 47 9.388 31.253 3.899 1.00 2.30 H new ATOM 0 HE3 LYS C 47 10.385 30.130 2.998 1.00 2.30 H new ATOM 0 HZ1 LYS C 47 8.743 31.188 1.564 1.00 2.87 H new ATOM 0 HZ2 LYS C 47 8.443 29.519 1.662 1.00 2.87 H new ATOM 0 HZ3 LYS C 47 7.476 30.608 2.535 1.00 2.87 H new ATOM 4873 N TYR C 48 6.758 28.425 9.127 1.00 0.38 N ATOM 4874 CA TYR C 48 5.635 28.911 9.960 1.00 0.36 C ATOM 4875 C TYR C 48 6.141 29.149 11.387 1.00 0.32 C ATOM 4876 O TYR C 48 5.755 30.098 12.041 1.00 0.32 O ATOM 4877 CB TYR C 48 4.514 27.881 9.942 1.00 0.37 C ATOM 4878 CG TYR C 48 3.847 27.887 8.584 1.00 0.40 C ATOM 4879 CD1 TYR C 48 3.048 28.980 8.206 1.00 0.45 C ATOM 4880 CD2 TYR C 48 4.000 26.795 7.709 1.00 0.41 C ATOM 4881 CE1 TYR C 48 2.405 28.985 6.955 1.00 0.50 C ATOM 4882 CE2 TYR C 48 3.353 26.798 6.460 1.00 0.46 C ATOM 4883 CZ TYR C 48 2.556 27.893 6.083 1.00 0.50 C ATOM 4884 OH TYR C 48 1.919 27.894 4.858 1.00 0.56 O ATOM 0 H TYR C 48 6.649 27.485 8.747 1.00 0.38 H new ATOM 0 HA TYR C 48 5.246 29.850 9.566 1.00 0.36 H new ATOM 0 HB2 TYR C 48 4.912 26.890 10.159 1.00 0.37 H new ATOM 0 HB3 TYR C 48 3.784 28.108 10.719 1.00 0.37 H new ATOM 0 HD1 TYR C 48 2.928 29.817 8.877 1.00 0.45 H new ATOM 0 HD2 TYR C 48 4.614 25.955 7.997 1.00 0.41 H new ATOM 0 HE1 TYR C 48 1.795 29.828 6.665 1.00 0.50 H new ATOM 0 HE2 TYR C 48 3.469 25.959 5.790 1.00 0.46 H new ATOM 0 HH TYR C 48 2.564 27.674 4.154 1.00 0.56 H new ATOM 4894 N LEU C 49 7.033 28.319 11.863 1.00 0.30 N ATOM 4895 CA LEU C 49 7.594 28.528 13.230 1.00 0.29 C ATOM 4896 C LEU C 49 8.278 29.892 13.268 1.00 0.32 C ATOM 4897 O LEU C 49 8.205 30.629 14.237 1.00 0.32 O ATOM 4898 CB LEU C 49 8.602 27.422 13.560 1.00 0.29 C ATOM 4899 CG LEU C 49 7.891 26.088 13.870 1.00 0.25 C ATOM 4900 CD1 LEU C 49 8.938 24.974 14.059 1.00 0.27 C ATOM 4901 CD2 LEU C 49 7.053 26.189 15.159 1.00 0.25 C ATOM 0 H LEU C 49 7.396 27.507 11.364 1.00 0.30 H new ATOM 0 HA LEU C 49 6.795 28.493 13.970 1.00 0.29 H new ATOM 0 HB2 LEU C 49 9.284 27.286 12.720 1.00 0.29 H new ATOM 0 HB3 LEU C 49 9.206 27.722 14.416 1.00 0.29 H new ATOM 0 HG LEU C 49 7.232 25.860 13.032 1.00 0.25 H new ATOM 0 HD11 LEU C 49 8.433 24.033 14.278 1.00 0.27 H new ATOM 0 HD12 LEU C 49 9.524 24.867 13.146 1.00 0.27 H new ATOM 0 HD13 LEU C 49 9.599 25.232 14.887 1.00 0.27 H new ATOM 0 HD21 LEU C 49 6.564 25.234 15.351 1.00 0.25 H new ATOM 0 HD22 LEU C 49 7.703 26.439 15.997 1.00 0.25 H new ATOM 0 HD23 LEU C 49 6.298 26.966 15.042 1.00 0.25 H new ATOM 4913 N LYS C 50 8.935 30.241 12.209 1.00 0.35 N ATOM 4914 CA LYS C 50 9.612 31.558 12.164 1.00 0.39 C ATOM 4915 C LYS C 50 8.557 32.671 12.233 1.00 0.39 C ATOM 4916 O LYS C 50 8.735 33.689 12.882 1.00 0.41 O ATOM 4917 CB LYS C 50 10.391 31.649 10.854 1.00 0.44 C ATOM 4918 CG LYS C 50 11.376 32.809 10.934 1.00 1.03 C ATOM 4919 CD LYS C 50 12.307 32.780 9.717 1.00 1.21 C ATOM 4920 CE LYS C 50 13.514 33.716 9.932 1.00 1.58 C ATOM 4921 NZ LYS C 50 13.443 34.832 8.951 1.00 2.18 N ATOM 0 H LYS C 50 9.034 29.671 11.369 1.00 0.35 H new ATOM 0 HA LYS C 50 10.294 31.670 13.006 1.00 0.39 H new ATOM 0 HB2 LYS C 50 10.924 30.716 10.669 1.00 0.44 H new ATOM 0 HB3 LYS C 50 9.706 31.796 10.019 1.00 0.44 H new ATOM 0 HG2 LYS C 50 10.836 33.755 10.969 1.00 1.03 H new ATOM 0 HG3 LYS C 50 11.959 32.741 11.852 1.00 1.03 H new ATOM 0 HD2 LYS C 50 12.656 31.762 9.544 1.00 1.21 H new ATOM 0 HD3 LYS C 50 11.758 33.085 8.826 1.00 1.21 H new ATOM 0 HE2 LYS C 50 13.510 34.108 10.949 1.00 1.58 H new ATOM 0 HE3 LYS C 50 14.445 33.164 9.807 1.00 1.58 H new ATOM 0 HZ1 LYS C 50 14.254 35.468 9.090 1.00 2.18 H new ATOM 0 HZ2 LYS C 50 13.466 34.447 7.985 1.00 2.18 H new ATOM 0 HZ3 LYS C 50 12.559 35.362 9.092 1.00 2.18 H new ATOM 4935 N ASP C 51 7.458 32.479 11.556 1.00 0.38 N ATOM 4936 CA ASP C 51 6.381 33.509 11.549 1.00 0.40 C ATOM 4937 C ASP C 51 5.921 33.774 12.992 1.00 0.38 C ATOM 4938 O ASP C 51 5.620 34.887 13.359 1.00 0.40 O ATOM 4939 CB ASP C 51 5.208 32.985 10.690 1.00 0.42 C ATOM 4940 CG ASP C 51 4.697 34.052 9.707 1.00 1.29 C ATOM 4941 OD1 ASP C 51 5.091 35.200 9.828 1.00 2.07 O ATOM 4942 OD2 ASP C 51 3.910 33.695 8.845 1.00 1.96 O ATOM 0 H ASP C 51 7.259 31.646 11.003 1.00 0.38 H new ATOM 0 HA ASP C 51 6.747 34.445 11.126 1.00 0.40 H new ATOM 0 HB2 ASP C 51 5.530 32.104 10.135 1.00 0.42 H new ATOM 0 HB3 ASP C 51 4.393 32.671 11.342 1.00 0.42 H new ATOM 4947 N GLN C 52 5.866 32.765 13.815 1.00 0.36 N ATOM 4948 CA GLN C 52 5.431 32.979 15.231 1.00 0.37 C ATOM 4949 C GLN C 52 6.365 33.960 15.901 1.00 0.38 C ATOM 4950 O GLN C 52 5.946 34.934 16.493 1.00 0.40 O ATOM 4951 CB GLN C 52 5.582 31.670 16.006 1.00 0.42 C ATOM 4952 CG GLN C 52 4.339 30.783 15.852 1.00 1.31 C ATOM 4953 CD GLN C 52 4.788 29.390 15.432 1.00 2.37 C ATOM 4954 OE1 GLN C 52 5.265 28.624 16.238 1.00 3.28 O ATOM 4955 NE2 GLN C 52 4.734 29.069 14.180 1.00 2.59 N ATOM 0 H GLN C 52 6.102 31.803 13.573 1.00 0.36 H new ATOM 0 HA GLN C 52 4.401 33.337 15.227 1.00 0.37 H new ATOM 0 HB2 GLN C 52 6.461 31.133 15.649 1.00 0.42 H new ATOM 0 HB3 GLN C 52 5.748 31.887 17.061 1.00 0.42 H new ATOM 0 HG2 GLN C 52 3.788 30.736 16.792 1.00 1.31 H new ATOM 0 HG3 GLN C 52 3.663 31.204 15.107 1.00 1.31 H new ATOM 0 HE21 GLN C 52 4.331 29.718 13.504 1.00 2.59 H new ATOM 0 HE22 GLN C 52 5.094 28.167 13.869 1.00 2.59 H new ATOM 4964 N ALA C 53 7.633 33.673 15.837 1.00 0.39 N ATOM 4965 CA ALA C 53 8.621 34.557 16.495 1.00 0.45 C ATOM 4966 C ALA C 53 8.249 36.000 16.176 1.00 0.47 C ATOM 4967 O ALA C 53 8.333 36.878 17.012 1.00 0.53 O ATOM 4968 CB ALA C 53 10.010 34.215 15.966 1.00 0.50 C ATOM 0 H ALA C 53 8.025 32.863 15.356 1.00 0.39 H new ATOM 0 HA ALA C 53 8.622 34.422 17.577 1.00 0.45 H new ATOM 0 HB1 ALA C 53 10.749 34.859 16.442 1.00 0.50 H new ATOM 0 HB2 ALA C 53 10.238 33.173 16.190 1.00 0.50 H new ATOM 0 HB3 ALA C 53 10.036 34.368 14.887 1.00 0.50 H new ATOM 4974 N GLN C 54 7.800 36.241 14.975 1.00 0.45 N ATOM 4975 CA GLN C 54 7.380 37.621 14.614 1.00 0.50 C ATOM 4976 C GLN C 54 6.209 38.029 15.516 1.00 0.55 C ATOM 4977 O GLN C 54 6.134 39.148 15.982 1.00 0.62 O ATOM 4978 CB GLN C 54 6.944 37.662 13.151 1.00 0.51 C ATOM 4979 CG GLN C 54 6.615 39.097 12.748 1.00 0.58 C ATOM 4980 CD GLN C 54 6.263 39.123 11.261 1.00 0.62 C ATOM 4981 OE1 GLN C 54 6.438 38.139 10.569 1.00 0.97 O ATOM 4982 NE2 GLN C 54 5.781 40.213 10.734 1.00 1.03 N ATOM 0 H GLN C 54 7.707 35.546 14.234 1.00 0.45 H new ATOM 0 HA GLN C 54 8.213 38.311 14.752 1.00 0.50 H new ATOM 0 HB2 GLN C 54 7.737 37.269 12.515 1.00 0.51 H new ATOM 0 HB3 GLN C 54 6.072 37.025 13.004 1.00 0.51 H new ATOM 0 HG2 GLN C 54 5.781 39.473 13.340 1.00 0.58 H new ATOM 0 HG3 GLN C 54 7.466 39.749 12.946 1.00 0.58 H new ATOM 0 HE21 GLN C 54 5.634 41.039 11.315 1.00 1.03 H new ATOM 0 HE22 GLN C 54 5.551 40.241 9.741 1.00 1.03 H new ATOM 4991 N LEU C 55 5.300 37.123 15.779 1.00 0.54 N ATOM 4992 CA LEU C 55 4.147 37.460 16.664 1.00 0.62 C ATOM 4993 C LEU C 55 4.659 37.565 18.099 1.00 0.65 C ATOM 4994 O LEU C 55 5.118 36.598 18.676 1.00 0.59 O ATOM 4995 CB LEU C 55 3.083 36.357 16.595 1.00 0.60 C ATOM 4996 CG LEU C 55 2.639 36.129 15.146 1.00 0.63 C ATOM 4997 CD1 LEU C 55 1.583 35.018 15.118 1.00 0.65 C ATOM 4998 CD2 LEU C 55 2.041 37.421 14.570 1.00 0.78 C ATOM 0 H LEU C 55 5.308 36.168 15.420 1.00 0.54 H new ATOM 0 HA LEU C 55 3.702 38.401 16.340 1.00 0.62 H new ATOM 0 HB2 LEU C 55 3.483 35.431 17.009 1.00 0.60 H new ATOM 0 HB3 LEU C 55 2.224 36.634 17.206 1.00 0.60 H new ATOM 0 HG LEU C 55 3.500 35.839 14.543 1.00 0.63 H new ATOM 0 HD11 LEU C 55 1.261 34.848 14.091 1.00 0.65 H new ATOM 0 HD12 LEU C 55 2.010 34.100 15.521 1.00 0.65 H new ATOM 0 HD13 LEU C 55 0.726 35.315 15.723 1.00 0.65 H new ATOM 0 HD21 LEU C 55 1.728 37.250 13.540 1.00 0.78 H new ATOM 0 HD22 LEU C 55 1.179 37.720 15.166 1.00 0.78 H new ATOM 0 HD23 LEU C 55 2.791 38.212 14.595 1.00 0.78 H new ATOM 5010 N ASN C 56 4.595 38.736 18.673 1.00 0.78 N ATOM 5011 CA ASN C 56 5.088 38.929 20.068 1.00 0.85 C ATOM 5012 C ASN C 56 4.055 39.717 20.868 1.00 0.97 C ATOM 5013 O ASN C 56 3.466 39.223 21.810 1.00 0.92 O ATOM 5014 CB ASN C 56 6.393 39.722 20.016 1.00 0.92 C ATOM 5015 CG ASN C 56 7.326 39.078 18.991 1.00 0.85 C ATOM 5016 OD1 ASN C 56 7.605 39.656 17.959 1.00 1.37 O ATOM 5017 ND2 ASN C 56 7.819 37.895 19.231 1.00 1.36 N ATOM 0 H ASN C 56 4.219 39.575 18.231 1.00 0.78 H new ATOM 0 HA ASN C 56 5.252 37.962 20.543 1.00 0.85 H new ATOM 0 HB2 ASN C 56 6.193 40.758 19.744 1.00 0.92 H new ATOM 0 HB3 ASN C 56 6.865 39.735 20.998 1.00 0.92 H new ATOM 0 HD21 ASN C 56 8.440 37.454 18.552 1.00 1.36 H new ATOM 0 HD22 ASN C 56 7.584 37.411 20.098 1.00 1.36 H new ATOM 5024 N ALA C 57 3.849 40.949 20.501 1.00 1.13 N ATOM 5025 CA ALA C 57 2.873 41.800 21.234 1.00 1.24 C ATOM 5026 C ALA C 57 2.331 42.865 20.277 1.00 1.36 C ATOM 5027 O ALA C 57 3.029 43.783 19.896 1.00 1.50 O ATOM 5028 CB ALA C 57 3.608 42.445 22.419 1.00 1.33 C ATOM 0 H ALA C 57 4.318 41.406 19.719 1.00 1.13 H new ATOM 0 HA ALA C 57 2.033 41.215 21.607 1.00 1.24 H new ATOM 0 HB1 ALA C 57 2.916 43.076 22.976 1.00 1.33 H new ATOM 0 HB2 ALA C 57 3.996 41.665 23.074 1.00 1.33 H new ATOM 0 HB3 ALA C 57 4.434 43.052 22.048 1.00 1.33 H new ATOM 5034 N TRP C 58 1.092 42.741 19.883 1.00 1.35 N ATOM 5035 CA TRP C 58 0.484 43.725 18.939 1.00 1.48 C ATOM 5036 C TRP C 58 -0.477 44.653 19.678 1.00 1.33 C ATOM 5037 O TRP C 58 -1.258 44.234 20.507 1.00 1.26 O ATOM 5038 CB TRP C 58 -0.282 42.971 17.857 1.00 1.68 C ATOM 5039 CG TRP C 58 0.684 42.216 17.015 1.00 1.88 C ATOM 5040 CD1 TRP C 58 1.242 41.027 17.337 1.00 1.95 C ATOM 5041 CD2 TRP C 58 1.215 42.585 15.717 1.00 2.05 C ATOM 5042 NE1 TRP C 58 2.087 40.640 16.313 1.00 2.16 N ATOM 5043 CE2 TRP C 58 2.105 41.567 15.289 1.00 2.23 C ATOM 5044 CE3 TRP C 58 1.009 43.697 14.877 1.00 2.08 C ATOM 5045 CZ2 TRP C 58 2.772 41.654 14.061 1.00 2.44 C ATOM 5046 CZ3 TRP C 58 1.676 43.789 13.643 1.00 2.29 C ATOM 5047 CH2 TRP C 58 2.556 42.770 13.235 1.00 2.47 C ATOM 0 H TRP C 58 0.467 41.991 20.178 1.00 1.35 H new ATOM 0 HA TRP C 58 1.278 44.323 18.493 1.00 1.48 H new ATOM 0 HB2 TRP C 58 -1.000 42.288 18.311 1.00 1.68 H new ATOM 0 HB3 TRP C 58 -0.851 43.669 17.243 1.00 1.68 H new ATOM 0 HD1 TRP C 58 1.058 40.471 18.245 1.00 1.95 H new ATOM 0 HE1 TRP C 58 2.630 39.777 16.314 1.00 2.16 H new ATOM 0 HE3 TRP C 58 0.335 44.483 15.183 1.00 2.08 H new ATOM 0 HZ2 TRP C 58 3.447 40.870 13.751 1.00 2.44 H new ATOM 0 HZ3 TRP C 58 1.512 44.645 13.006 1.00 2.29 H new ATOM 0 HH2 TRP C 58 3.066 42.846 12.286 1.00 2.47 H new ATOM 5058 N GLY C 59 -0.433 45.916 19.375 1.00 1.33 N ATOM 5059 CA GLY C 59 -1.354 46.862 20.053 1.00 1.27 C ATOM 5060 C GLY C 59 -1.034 46.878 21.540 1.00 1.16 C ATOM 5061 O GLY C 59 -1.744 47.437 22.335 1.00 1.13 O ATOM 0 H GLY C 59 0.198 46.333 18.690 1.00 1.33 H new ATOM 0 HA2 GLY C 59 -1.244 47.862 19.633 1.00 1.27 H new ATOM 0 HA3 GLY C 59 -2.389 46.561 19.893 1.00 1.27 H new ATOM 5065 N ALA C 60 0.045 46.291 21.938 1.00 1.14 N ATOM 5066 CA ALA C 60 0.371 46.316 23.381 1.00 1.11 C ATOM 5067 C ALA C 60 0.781 47.740 23.744 1.00 1.02 C ATOM 5068 O ALA C 60 1.626 47.936 24.558 1.00 1.05 O ATOM 5069 CB ALA C 60 1.497 45.311 23.684 1.00 1.19 C ATOM 0 H ALA C 60 0.709 45.801 21.339 1.00 1.14 H new ATOM 0 HA ALA C 60 -0.492 46.024 23.979 1.00 1.11 H new ATOM 0 HB1 ALA C 60 1.730 45.336 24.748 1.00 1.19 H new ATOM 0 HB2 ALA C 60 1.173 44.308 23.407 1.00 1.19 H new ATOM 0 HB3 ALA C 60 2.386 45.577 23.111 1.00 1.19 H new ATOM 5075 N ALA C 61 0.229 48.745 23.121 1.00 0.96 N ATOM 5076 CA ALA C 61 0.640 50.131 23.486 1.00 0.92 C ATOM 5077 C ALA C 61 -0.375 51.146 22.947 1.00 1.17 C ATOM 5078 O ALA C 61 -0.509 51.307 21.751 1.00 1.25 O ATOM 5079 CB ALA C 61 2.026 50.408 22.913 1.00 0.72 C ATOM 0 H ALA C 61 -0.476 48.670 22.388 1.00 0.96 H new ATOM 0 HA ALA C 61 0.672 50.227 24.571 1.00 0.92 H new ATOM 0 HB1 ALA C 61 2.333 51.420 23.176 1.00 0.72 H new ATOM 0 HB2 ALA C 61 2.739 49.694 23.325 1.00 0.72 H new ATOM 0 HB3 ALA C 61 1.998 50.308 21.828 1.00 0.72 H new ATOM 5085 N PHE C 62 -1.090 51.835 23.813 1.00 1.49 N ATOM 5086 CA PHE C 62 -2.098 52.845 23.342 1.00 1.80 C ATOM 5087 C PHE C 62 -1.718 54.246 23.788 1.00 1.70 C ATOM 5088 O PHE C 62 -2.505 55.166 23.678 1.00 1.94 O ATOM 5089 CB PHE C 62 -3.479 52.488 23.894 1.00 2.32 C ATOM 5090 CG PHE C 62 -3.999 51.374 23.043 1.00 2.69 C ATOM 5091 CD1 PHE C 62 -3.564 50.077 23.293 1.00 2.93 C ATOM 5092 CD2 PHE C 62 -4.852 51.643 21.959 1.00 2.87 C ATOM 5093 CE1 PHE C 62 -3.983 49.044 22.460 1.00 3.28 C ATOM 5094 CE2 PHE C 62 -5.281 50.592 21.130 1.00 3.24 C ATOM 5095 CZ PHE C 62 -4.839 49.288 21.383 1.00 3.42 C ATOM 0 H PHE C 62 -1.018 51.740 24.826 1.00 1.49 H new ATOM 0 HA PHE C 62 -2.118 52.826 22.252 1.00 1.80 H new ATOM 0 HB2 PHE C 62 -3.412 52.181 24.938 1.00 2.32 H new ATOM 0 HB3 PHE C 62 -4.146 53.349 23.857 1.00 2.32 H new ATOM 0 HD1 PHE C 62 -2.907 49.873 24.126 1.00 2.93 H new ATOM 0 HD2 PHE C 62 -5.177 52.654 21.763 1.00 2.87 H new ATOM 0 HE1 PHE C 62 -3.641 48.037 22.649 1.00 3.28 H new ATOM 0 HE2 PHE C 62 -5.947 50.789 20.303 1.00 3.24 H new ATOM 0 HZ PHE C 62 -5.158 48.474 20.749 1.00 3.42 H new ATOM 5105 N ARG C 63 -0.516 54.433 24.247 1.00 1.42 N ATOM 5106 CA ARG C 63 -0.086 55.800 24.644 1.00 1.41 C ATOM 5107 C ARG C 63 1.313 56.008 24.104 1.00 1.25 C ATOM 5108 O ARG C 63 2.046 56.879 24.527 1.00 1.34 O ATOM 5109 CB ARG C 63 -0.073 55.903 26.167 1.00 1.66 C ATOM 5110 CG ARG C 63 -1.184 55.019 26.745 1.00 2.30 C ATOM 5111 CD ARG C 63 -1.423 55.351 28.229 1.00 2.72 C ATOM 5112 NE ARG C 63 -0.757 56.632 28.595 1.00 3.14 N ATOM 5113 CZ ARG C 63 -1.249 57.404 29.517 1.00 3.66 C ATOM 5114 NH1 ARG C 63 -2.358 57.085 30.125 1.00 3.89 N ATOM 5115 NH2 ARG C 63 -0.635 58.515 29.814 1.00 4.35 N ATOM 0 H ARG C 63 0.186 53.702 24.365 1.00 1.42 H new ATOM 0 HA ARG C 63 -0.766 56.555 24.249 1.00 1.41 H new ATOM 0 HB2 ARG C 63 0.896 55.590 26.556 1.00 1.66 H new ATOM 0 HB3 ARG C 63 -0.220 56.939 26.474 1.00 1.66 H new ATOM 0 HG2 ARG C 63 -2.105 55.167 26.181 1.00 2.30 H new ATOM 0 HG3 ARG C 63 -0.912 53.969 26.641 1.00 2.30 H new ATOM 0 HD2 ARG C 63 -2.493 55.423 28.423 1.00 2.72 H new ATOM 0 HD3 ARG C 63 -1.040 54.544 28.854 1.00 2.72 H new ATOM 0 HE ARG C 63 0.099 56.908 28.114 1.00 3.14 H new ATOM 0 HH11 ARG C 63 -2.846 56.224 29.878 1.00 3.89 H new ATOM 0 HH12 ARG C 63 -2.738 57.697 30.848 1.00 3.89 H new ATOM 0 HH21 ARG C 63 0.222 58.770 29.324 1.00 4.35 H new ATOM 0 HH22 ARG C 63 -1.012 59.129 30.536 1.00 4.35 H new ATOM 5129 N GLN C 64 1.651 55.224 23.132 1.00 1.12 N ATOM 5130 CA GLN C 64 2.972 55.334 22.482 1.00 1.12 C ATOM 5131 C GLN C 64 2.740 55.062 21.006 1.00 1.12 C ATOM 5132 O GLN C 64 1.851 54.318 20.642 1.00 1.09 O ATOM 5133 CB GLN C 64 3.941 54.294 23.067 1.00 1.17 C ATOM 5134 CG GLN C 64 4.288 54.621 24.543 1.00 1.37 C ATOM 5135 CD GLN C 64 3.684 53.594 25.518 1.00 1.77 C ATOM 5136 OE1 GLN C 64 2.655 52.871 25.165 1.00 2.43 O flip ATOM 5137 NE2 GLN C 64 4.160 53.454 26.627 1.00 1.84 N flip ATOM 0 H GLN C 64 1.051 54.493 22.751 1.00 1.12 H new ATOM 0 HA GLN C 64 3.413 56.318 22.642 1.00 1.12 H new ATOM 0 HB2 GLN C 64 3.494 53.302 23.007 1.00 1.17 H new ATOM 0 HB3 GLN C 64 4.854 54.269 22.473 1.00 1.17 H new ATOM 0 HG2 GLN C 64 5.371 54.643 24.665 1.00 1.37 H new ATOM 0 HG3 GLN C 64 3.919 55.616 24.790 1.00 1.37 H new ATOM 0 HE21 GLN C 64 4.964 54.014 26.912 1.00 1.84 H new ATOM 0 HE22 GLN C 64 3.756 52.776 27.274 1.00 1.84 H new ATOM 5146 N VAL C 65 3.522 55.648 20.155 1.00 1.28 N ATOM 5147 CA VAL C 65 3.341 55.419 18.698 1.00 1.44 C ATOM 5148 C VAL C 65 4.435 54.458 18.252 1.00 1.49 C ATOM 5149 O VAL C 65 5.252 54.762 17.406 1.00 1.72 O ATOM 5150 CB VAL C 65 3.472 56.768 17.985 1.00 1.71 C ATOM 5151 CG1 VAL C 65 2.946 56.672 16.534 1.00 1.93 C ATOM 5152 CG2 VAL C 65 2.675 57.818 18.781 1.00 1.67 C ATOM 0 H VAL C 65 4.283 56.279 20.404 1.00 1.28 H new ATOM 0 HA VAL C 65 2.365 54.993 18.464 1.00 1.44 H new ATOM 0 HB VAL C 65 4.521 57.058 17.936 1.00 1.71 H new ATOM 0 HG11 VAL C 65 3.048 57.641 16.045 1.00 1.93 H new ATOM 0 HG12 VAL C 65 3.523 55.927 15.986 1.00 1.93 H new ATOM 0 HG13 VAL C 65 1.896 56.381 16.546 1.00 1.93 H new ATOM 0 HG21 VAL C 65 2.756 58.787 18.288 1.00 1.67 H new ATOM 0 HG22 VAL C 65 1.627 57.521 18.827 1.00 1.67 H new ATOM 0 HG23 VAL C 65 3.077 57.890 19.792 1.00 1.67 H new ATOM 5162 N ALA C 66 4.451 53.291 18.844 1.00 1.30 N ATOM 5163 CA ALA C 66 5.485 52.281 18.496 1.00 1.38 C ATOM 5164 C ALA C 66 4.909 50.873 18.681 1.00 1.17 C ATOM 5165 O ALA C 66 3.974 50.661 19.428 1.00 1.01 O ATOM 5166 CB ALA C 66 6.697 52.481 19.419 1.00 1.51 C ATOM 0 H ALA C 66 3.785 52.996 19.558 1.00 1.30 H new ATOM 0 HA ALA C 66 5.792 52.400 17.457 1.00 1.38 H new ATOM 0 HB1 ALA C 66 7.465 51.747 19.176 1.00 1.51 H new ATOM 0 HB2 ALA C 66 7.098 53.485 19.280 1.00 1.51 H new ATOM 0 HB3 ALA C 66 6.389 52.354 20.457 1.00 1.51 H new ATOM 5172 N HIS C 67 5.488 49.912 18.016 1.00 1.22 N ATOM 5173 CA HIS C 67 5.035 48.494 18.135 1.00 1.06 C ATOM 5174 C HIS C 67 6.262 47.641 18.443 1.00 1.10 C ATOM 5175 O HIS C 67 7.301 47.805 17.834 1.00 1.27 O ATOM 5176 CB HIS C 67 4.379 48.046 16.827 1.00 1.11 C ATOM 5177 CG HIS C 67 2.997 48.639 16.739 1.00 1.12 C ATOM 5178 ND1 HIS C 67 2.508 49.214 15.575 1.00 1.35 N ATOM 5179 CD2 HIS C 67 1.989 48.760 17.668 1.00 1.02 C ATOM 5180 CE1 HIS C 67 1.260 49.651 15.829 1.00 1.38 C ATOM 5181 NE2 HIS C 67 0.899 49.398 17.089 1.00 1.19 N ATOM 0 H HIS C 67 6.274 50.052 17.381 1.00 1.22 H new ATOM 0 HA HIS C 67 4.298 48.388 18.931 1.00 1.06 H new ATOM 0 HB2 HIS C 67 4.980 48.366 15.976 1.00 1.11 H new ATOM 0 HB3 HIS C 67 4.324 46.958 16.787 1.00 1.11 H new ATOM 0 HD2 HIS C 67 2.038 48.413 18.689 1.00 1.02 H new ATOM 0 HE1 HIS C 67 0.630 50.145 15.104 1.00 1.38 H new ATOM 0 HE2 HIS C 67 0.010 49.625 17.533 1.00 1.19 H new ATOM 5189 N THR C 68 6.179 46.760 19.406 1.00 1.01 N ATOM 5190 CA THR C 68 7.376 45.942 19.760 1.00 1.12 C ATOM 5191 C THR C 68 7.354 44.616 18.997 1.00 0.99 C ATOM 5192 O THR C 68 6.496 43.779 19.191 1.00 0.86 O ATOM 5193 CB THR C 68 7.376 45.688 21.275 1.00 1.21 C ATOM 5194 OG1 THR C 68 8.417 44.776 21.595 1.00 1.39 O ATOM 5195 CG2 THR C 68 6.026 45.113 21.747 1.00 1.09 C ATOM 0 H THR C 68 5.342 46.573 19.958 1.00 1.01 H new ATOM 0 HA THR C 68 8.283 46.479 19.482 1.00 1.12 H new ATOM 0 HB THR C 68 7.536 46.639 21.784 1.00 1.21 H new ATOM 0 HG1 THR C 68 8.422 44.612 22.561 1.00 1.39 H new ATOM 0 HG21 THR C 68 6.059 44.945 22.823 1.00 1.09 H new ATOM 0 HG22 THR C 68 5.229 45.819 21.514 1.00 1.09 H new ATOM 0 HG23 THR C 68 5.835 44.169 21.238 1.00 1.09 H new ATOM 5203 N THR C 69 8.309 44.430 18.121 1.00 1.06 N ATOM 5204 CA THR C 69 8.391 43.173 17.316 1.00 0.95 C ATOM 5205 C THR C 69 9.639 42.399 17.739 1.00 1.00 C ATOM 5206 O THR C 69 10.741 42.908 17.698 1.00 1.16 O ATOM 5207 CB THR C 69 8.477 43.519 15.823 1.00 1.05 C ATOM 5208 OG1 THR C 69 8.700 42.324 15.088 1.00 1.09 O ATOM 5209 CG2 THR C 69 9.627 44.507 15.544 1.00 1.28 C ATOM 0 H THR C 69 9.047 45.107 17.927 1.00 1.06 H new ATOM 0 HA THR C 69 7.503 42.565 17.487 1.00 0.95 H new ATOM 0 HB THR C 69 7.541 43.989 15.520 1.00 1.05 H new ATOM 0 HG1 THR C 69 8.755 42.533 14.132 1.00 1.09 H new ATOM 0 HG21 THR C 69 9.662 44.733 14.478 1.00 1.28 H new ATOM 0 HG22 THR C 69 9.460 45.427 16.104 1.00 1.28 H new ATOM 0 HG23 THR C 69 10.573 44.061 15.852 1.00 1.28 H new ATOM 5217 N VAL C 70 9.468 41.176 18.166 1.00 0.89 N ATOM 5218 CA VAL C 70 10.629 40.352 18.620 1.00 0.98 C ATOM 5219 C VAL C 70 10.646 39.026 17.852 1.00 0.85 C ATOM 5220 O VAL C 70 10.139 38.027 18.323 1.00 0.80 O ATOM 5221 CB VAL C 70 10.473 40.069 20.119 1.00 1.08 C ATOM 5222 CG1 VAL C 70 11.649 39.207 20.643 1.00 1.24 C ATOM 5223 CG2 VAL C 70 10.422 41.412 20.860 1.00 1.18 C ATOM 0 H VAL C 70 8.564 40.707 18.221 1.00 0.89 H new ATOM 0 HA VAL C 70 11.560 40.887 18.435 1.00 0.98 H new ATOM 0 HB VAL C 70 9.554 39.510 20.293 1.00 1.08 H new ATOM 0 HG11 VAL C 70 11.516 39.019 21.709 1.00 1.24 H new ATOM 0 HG12 VAL C 70 11.671 38.258 20.108 1.00 1.24 H new ATOM 0 HG13 VAL C 70 12.588 39.736 20.482 1.00 1.24 H new ATOM 0 HG21 VAL C 70 10.311 41.233 21.930 1.00 1.18 H new ATOM 0 HG22 VAL C 70 11.345 41.963 20.678 1.00 1.18 H new ATOM 0 HG23 VAL C 70 9.574 41.994 20.500 1.00 1.18 H new ATOM 5233 N PRO C 71 11.229 39.012 16.678 1.00 0.84 N ATOM 5234 CA PRO C 71 11.314 37.785 15.846 1.00 0.75 C ATOM 5235 C PRO C 71 12.476 36.889 16.284 1.00 0.74 C ATOM 5236 O PRO C 71 13.412 36.654 15.546 1.00 0.78 O ATOM 5237 CB PRO C 71 11.516 38.328 14.430 1.00 0.84 C ATOM 5238 CG PRO C 71 12.242 39.626 14.613 1.00 0.99 C ATOM 5239 CD PRO C 71 11.871 40.157 16.008 1.00 0.99 C ATOM 0 HA PRO C 71 10.430 37.153 15.930 1.00 0.75 H new ATOM 0 HB2 PRO C 71 12.095 37.634 13.820 1.00 0.84 H new ATOM 0 HB3 PRO C 71 10.562 38.477 13.925 1.00 0.84 H new ATOM 0 HG2 PRO C 71 13.319 39.480 14.530 1.00 0.99 H new ATOM 0 HG3 PRO C 71 11.956 40.340 13.840 1.00 0.99 H new ATOM 0 HD2 PRO C 71 12.753 40.492 16.553 1.00 0.99 H new ATOM 0 HD3 PRO C 71 11.194 41.009 15.942 1.00 0.99 H new ATOM 5247 N TRP C 72 12.412 36.392 17.490 1.00 0.72 N ATOM 5248 CA TRP C 72 13.498 35.513 18.004 1.00 0.75 C ATOM 5249 C TRP C 72 13.455 34.178 17.250 1.00 0.67 C ATOM 5250 O TRP C 72 12.405 33.587 17.138 1.00 0.60 O ATOM 5251 CB TRP C 72 13.255 35.248 19.491 1.00 0.78 C ATOM 5252 CG TRP C 72 14.464 34.601 20.084 1.00 0.84 C ATOM 5253 CD1 TRP C 72 15.643 35.226 20.305 1.00 0.94 C ATOM 5254 CD2 TRP C 72 14.636 33.225 20.533 1.00 0.84 C ATOM 5255 NE1 TRP C 72 16.531 34.324 20.862 1.00 0.99 N ATOM 5256 CE2 TRP C 72 15.960 33.077 21.024 1.00 0.93 C ATOM 5257 CE3 TRP C 72 13.783 32.101 20.563 1.00 0.79 C ATOM 5258 CZ2 TRP C 72 16.422 31.854 21.528 1.00 0.97 C ATOM 5259 CZ3 TRP C 72 14.243 30.869 21.070 1.00 0.84 C ATOM 5260 CH2 TRP C 72 15.559 30.747 21.551 1.00 0.92 C ATOM 0 H TRP C 72 11.648 36.559 18.145 1.00 0.72 H new ATOM 0 HA TRP C 72 14.467 35.992 17.861 1.00 0.75 H new ATOM 0 HB2 TRP C 72 13.039 36.183 20.008 1.00 0.78 H new ATOM 0 HB3 TRP C 72 12.385 34.604 19.620 1.00 0.78 H new ATOM 0 HD1 TRP C 72 15.856 36.261 20.083 1.00 0.94 H new ATOM 0 HE1 TRP C 72 17.491 34.552 21.122 1.00 0.99 H new ATOM 0 HE3 TRP C 72 12.771 32.185 20.195 1.00 0.79 H new ATOM 0 HZ2 TRP C 72 17.433 31.764 21.896 1.00 0.97 H new ATOM 0 HZ3 TRP C 72 13.582 30.015 21.089 1.00 0.84 H new ATOM 0 HH2 TRP C 72 15.906 29.801 21.939 1.00 0.92 H new ATOM 5271 N PRO C 73 14.558 33.689 16.733 1.00 0.71 N ATOM 5272 CA PRO C 73 14.561 32.401 15.988 1.00 0.65 C ATOM 5273 C PRO C 73 13.639 31.369 16.644 1.00 0.58 C ATOM 5274 O PRO C 73 13.472 31.362 17.848 1.00 0.61 O ATOM 5275 CB PRO C 73 16.024 31.957 16.069 1.00 0.74 C ATOM 5276 CG PRO C 73 16.810 33.231 16.126 1.00 0.84 C ATOM 5277 CD PRO C 73 15.908 34.279 16.799 1.00 0.82 C ATOM 0 HA PRO C 73 14.195 32.503 14.966 1.00 0.65 H new ATOM 0 HB2 PRO C 73 16.202 31.343 16.952 1.00 0.74 H new ATOM 0 HB3 PRO C 73 16.304 31.358 15.202 1.00 0.74 H new ATOM 0 HG2 PRO C 73 17.731 33.092 16.693 1.00 0.84 H new ATOM 0 HG3 PRO C 73 17.097 33.553 15.125 1.00 0.84 H new ATOM 0 HD2 PRO C 73 16.212 34.464 17.829 1.00 0.82 H new ATOM 0 HD3 PRO C 73 15.951 35.235 16.278 1.00 0.82 H new ATOM 5285 N ASN C 74 13.044 30.500 15.868 1.00 0.52 N ATOM 5286 CA ASN C 74 12.135 29.463 16.450 1.00 0.48 C ATOM 5287 C ASN C 74 12.555 28.089 15.940 1.00 0.50 C ATOM 5288 O ASN C 74 12.731 27.163 16.692 1.00 0.80 O ATOM 5289 CB ASN C 74 10.689 29.731 16.029 1.00 0.47 C ATOM 5290 CG ASN C 74 9.764 28.796 16.813 1.00 0.53 C ATOM 5291 OD1 ASN C 74 9.039 29.271 17.787 1.00 1.17 O flip ATOM 5292 ND2 ASN C 74 9.704 27.616 16.541 1.00 1.26 N flip ATOM 0 H ASN C 74 13.148 30.463 14.854 1.00 0.52 H new ATOM 0 HA ASN C 74 12.203 29.499 17.537 1.00 0.48 H new ATOM 0 HB2 ASN C 74 10.426 30.771 16.223 1.00 0.47 H new ATOM 0 HB3 ASN C 74 10.571 29.567 14.958 1.00 0.47 H new ATOM 0 HD21 ASN C 74 10.269 27.239 15.780 1.00 1.26 H new ATOM 0 HD22 ASN C 74 9.089 27.001 17.073 1.00 1.26 H new ATOM 5299 N ALA C 75 12.725 27.946 14.661 1.00 0.47 N ATOM 5300 CA ALA C 75 13.137 26.628 14.109 1.00 0.47 C ATOM 5301 C ALA C 75 14.658 26.574 14.045 1.00 0.46 C ATOM 5302 O ALA C 75 15.288 27.420 13.442 1.00 0.47 O ATOM 5303 CB ALA C 75 12.558 26.462 12.706 1.00 0.53 C ATOM 0 H ALA C 75 12.597 28.685 13.970 1.00 0.47 H new ATOM 0 HA ALA C 75 12.767 25.825 14.747 1.00 0.47 H new ATOM 0 HB1 ALA C 75 12.859 25.496 12.300 1.00 0.53 H new ATOM 0 HB2 ALA C 75 11.470 26.513 12.753 1.00 0.53 H new ATOM 0 HB3 ALA C 75 12.931 27.258 12.062 1.00 0.53 H new ATOM 5309 N SER C 76 15.264 25.592 14.652 1.00 0.47 N ATOM 5310 CA SER C 76 16.746 25.521 14.597 1.00 0.48 C ATOM 5311 C SER C 76 17.113 24.913 13.249 1.00 0.48 C ATOM 5312 O SER C 76 16.952 23.732 13.012 1.00 0.49 O ATOM 5313 CB SER C 76 17.268 24.630 15.726 1.00 0.54 C ATOM 5314 OG SER C 76 18.506 24.053 15.335 1.00 1.38 O ATOM 0 H SER C 76 14.804 24.847 15.176 1.00 0.47 H new ATOM 0 HA SER C 76 17.187 26.511 14.713 1.00 0.48 H new ATOM 0 HB2 SER C 76 17.398 25.215 16.636 1.00 0.54 H new ATOM 0 HB3 SER C 76 16.544 23.847 15.951 1.00 0.54 H new ATOM 0 HG SER C 76 18.844 23.483 16.057 1.00 1.38 H new ATOM 5320 N LEU C 77 17.568 25.738 12.352 1.00 0.50 N ATOM 5321 CA LEU C 77 17.910 25.255 10.992 1.00 0.53 C ATOM 5322 C LEU C 77 19.282 24.597 11.004 1.00 0.52 C ATOM 5323 O LEU C 77 20.232 25.109 11.561 1.00 0.55 O ATOM 5324 CB LEU C 77 17.913 26.448 10.032 1.00 0.62 C ATOM 5325 CG LEU C 77 16.619 27.261 10.202 1.00 0.65 C ATOM 5326 CD1 LEU C 77 16.687 28.532 9.334 1.00 0.75 C ATOM 5327 CD2 LEU C 77 15.409 26.404 9.796 1.00 0.66 C ATOM 0 H LEU C 77 17.718 26.735 12.506 1.00 0.50 H new ATOM 0 HA LEU C 77 17.174 24.520 10.666 1.00 0.53 H new ATOM 0 HB2 LEU C 77 18.779 27.081 10.228 1.00 0.62 H new ATOM 0 HB3 LEU C 77 18.000 26.098 9.003 1.00 0.62 H new ATOM 0 HG LEU C 77 16.509 27.552 11.247 1.00 0.65 H new ATOM 0 HD11 LEU C 77 15.769 29.106 9.457 1.00 0.75 H new ATOM 0 HD12 LEU C 77 17.538 29.139 9.643 1.00 0.75 H new ATOM 0 HD13 LEU C 77 16.803 28.252 8.287 1.00 0.75 H new ATOM 0 HD21 LEU C 77 14.495 26.984 9.918 1.00 0.66 H new ATOM 0 HD22 LEU C 77 15.510 26.102 8.754 1.00 0.66 H new ATOM 0 HD23 LEU C 77 15.363 25.517 10.428 1.00 0.66 H new ATOM 5339 N THR C 78 19.384 23.465 10.370 1.00 0.51 N ATOM 5340 CA THR C 78 20.686 22.752 10.306 1.00 0.51 C ATOM 5341 C THR C 78 21.394 23.155 9.006 1.00 0.57 C ATOM 5342 O THR C 78 20.935 22.827 7.931 1.00 0.66 O ATOM 5343 CB THR C 78 20.436 21.244 10.308 1.00 0.55 C ATOM 5344 OG1 THR C 78 21.689 20.581 10.256 1.00 0.61 O ATOM 5345 CG2 THR C 78 19.570 20.843 9.104 1.00 0.64 C ATOM 0 H THR C 78 18.614 23.000 9.889 1.00 0.51 H new ATOM 0 HA THR C 78 21.305 23.013 11.165 1.00 0.51 H new ATOM 0 HB THR C 78 19.903 20.959 11.215 1.00 0.55 H new ATOM 0 HG1 THR C 78 21.870 20.156 11.120 1.00 0.61 H new ATOM 0 HG21 THR C 78 19.401 19.766 9.120 1.00 0.64 H new ATOM 0 HG22 THR C 78 18.613 21.361 9.156 1.00 0.64 H new ATOM 0 HG23 THR C 78 20.081 21.117 8.181 1.00 0.64 H new ATOM 5353 N PRO C 79 22.488 23.869 9.067 1.00 0.65 N ATOM 5354 CA PRO C 79 23.209 24.292 7.842 1.00 0.77 C ATOM 5355 C PRO C 79 24.285 23.296 7.402 1.00 0.67 C ATOM 5356 O PRO C 79 24.455 23.037 6.226 1.00 0.70 O ATOM 5357 CB PRO C 79 23.862 25.597 8.292 1.00 0.98 C ATOM 5358 CG PRO C 79 24.233 25.343 9.718 1.00 0.96 C ATOM 5359 CD PRO C 79 23.170 24.381 10.275 1.00 0.75 C ATOM 0 HA PRO C 79 22.544 24.376 6.982 1.00 0.77 H new ATOM 0 HB2 PRO C 79 24.738 25.834 7.688 1.00 0.98 H new ATOM 0 HB3 PRO C 79 23.175 26.439 8.202 1.00 0.98 H new ATOM 0 HG2 PRO C 79 25.229 24.905 9.789 1.00 0.96 H new ATOM 0 HG3 PRO C 79 24.252 26.273 10.286 1.00 0.96 H new ATOM 0 HD2 PRO C 79 23.623 23.574 10.850 1.00 0.75 H new ATOM 0 HD3 PRO C 79 22.475 24.894 10.939 1.00 0.75 H new ATOM 5367 N LYS C 80 25.061 22.804 8.334 1.00 0.66 N ATOM 5368 CA LYS C 80 26.199 21.895 7.978 1.00 0.66 C ATOM 5369 C LYS C 80 26.133 20.513 8.642 1.00 0.63 C ATOM 5370 O LYS C 80 26.241 19.494 7.990 1.00 0.65 O ATOM 5371 CB LYS C 80 27.471 22.570 8.517 1.00 0.79 C ATOM 5372 CG LYS C 80 28.308 23.201 7.413 1.00 1.30 C ATOM 5373 CD LYS C 80 29.519 23.818 8.104 1.00 1.45 C ATOM 5374 CE LYS C 80 30.412 24.536 7.102 1.00 2.31 C ATOM 5375 NZ LYS C 80 31.604 25.046 7.834 1.00 2.95 N ATOM 0 H LYS C 80 24.957 22.992 9.331 1.00 0.66 H new ATOM 0 HA LYS C 80 26.172 21.742 6.899 1.00 0.66 H new ATOM 0 HB2 LYS C 80 27.193 23.336 9.241 1.00 0.79 H new ATOM 0 HB3 LYS C 80 28.073 21.833 9.048 1.00 0.79 H new ATOM 0 HG2 LYS C 80 28.615 22.454 6.681 1.00 1.30 H new ATOM 0 HG3 LYS C 80 27.738 23.958 6.875 1.00 1.30 H new ATOM 0 HD2 LYS C 80 29.187 24.520 8.869 1.00 1.45 H new ATOM 0 HD3 LYS C 80 30.089 23.039 8.611 1.00 1.45 H new ATOM 0 HE2 LYS C 80 30.715 23.856 6.306 1.00 2.31 H new ATOM 0 HE3 LYS C 80 29.873 25.358 6.631 1.00 2.31 H new ATOM 0 HZ1 LYS C 80 32.233 25.542 7.171 1.00 2.95 H new ATOM 0 HZ2 LYS C 80 31.298 25.704 8.579 1.00 2.95 H new ATOM 0 HZ3 LYS C 80 32.115 24.249 8.264 1.00 2.95 H new ATOM 5389 N TRP C 81 26.077 20.481 9.943 1.00 0.65 N ATOM 5390 CA TRP C 81 26.149 19.170 10.645 1.00 0.67 C ATOM 5391 C TRP C 81 25.155 18.168 10.065 1.00 0.62 C ATOM 5392 O TRP C 81 25.511 17.044 9.777 1.00 0.63 O ATOM 5393 CB TRP C 81 25.941 19.362 12.152 1.00 0.72 C ATOM 5394 CG TRP C 81 24.496 19.542 12.482 1.00 0.68 C ATOM 5395 CD1 TRP C 81 23.575 18.552 12.508 1.00 0.69 C ATOM 5396 CD2 TRP C 81 23.799 20.762 12.866 1.00 0.67 C ATOM 5397 NE1 TRP C 81 22.352 19.085 12.871 1.00 0.68 N ATOM 5398 CE2 TRP C 81 22.436 20.443 13.106 1.00 0.65 C ATOM 5399 CE3 TRP C 81 24.211 22.102 13.025 1.00 0.70 C ATOM 5400 CZ2 TRP C 81 21.513 21.424 13.494 1.00 0.65 C ATOM 5401 CZ3 TRP C 81 23.287 23.091 13.415 1.00 0.71 C ATOM 5402 CH2 TRP C 81 21.942 22.752 13.650 1.00 0.67 C ATOM 0 H TRP C 81 25.985 21.298 10.547 1.00 0.65 H new ATOM 0 HA TRP C 81 27.144 18.754 10.489 1.00 0.67 H new ATOM 0 HB2 TRP C 81 26.334 18.498 12.688 1.00 0.72 H new ATOM 0 HB3 TRP C 81 26.505 20.231 12.491 1.00 0.72 H new ATOM 0 HD1 TRP C 81 23.764 17.513 12.282 1.00 0.69 H new ATOM 0 HE1 TRP C 81 21.493 18.542 12.955 1.00 0.68 H new ATOM 0 HE3 TRP C 81 25.242 22.371 12.847 1.00 0.70 H new ATOM 0 HZ2 TRP C 81 20.481 21.161 13.671 1.00 0.65 H new ATOM 0 HZ3 TRP C 81 23.612 24.114 13.534 1.00 0.71 H new ATOM 0 HH2 TRP C 81 21.238 23.514 13.951 1.00 0.67 H new ATOM 5413 N ASN C 82 23.925 18.536 9.873 1.00 0.59 N ATOM 5414 CA ASN C 82 22.973 17.547 9.299 1.00 0.59 C ATOM 5415 C ASN C 82 23.208 17.398 7.800 1.00 0.53 C ATOM 5416 O ASN C 82 23.202 16.310 7.259 1.00 0.49 O ATOM 5417 CB ASN C 82 21.539 18.010 9.484 1.00 0.70 C ATOM 5418 CG ASN C 82 20.620 16.882 9.031 1.00 1.07 C ATOM 5419 OD1 ASN C 82 19.395 17.157 8.683 1.00 0.96 O flip ATOM 5420 ND2 ASN C 82 21.018 15.735 9.003 1.00 1.86 N flip ATOM 0 H ASN C 82 23.540 19.457 10.082 1.00 0.59 H new ATOM 0 HA ASN C 82 23.136 16.601 9.815 1.00 0.59 H new ATOM 0 HB2 ASN C 82 21.350 18.260 10.528 1.00 0.70 H new ATOM 0 HB3 ASN C 82 21.351 18.912 8.902 1.00 0.70 H new ATOM 0 HD21 ASN C 82 21.977 15.521 9.276 1.00 1.86 H new ATOM 0 HD22 ASN C 82 20.393 14.985 8.707 1.00 1.86 H new ATOM 5427 N ASN C 83 23.369 18.498 7.122 1.00 0.56 N ATOM 5428 CA ASN C 83 23.553 18.447 5.649 1.00 0.57 C ATOM 5429 C ASN C 83 24.748 17.564 5.302 1.00 0.52 C ATOM 5430 O ASN C 83 24.654 16.668 4.490 1.00 0.51 O ATOM 5431 CB ASN C 83 23.809 19.865 5.138 1.00 0.66 C ATOM 5432 CG ASN C 83 23.768 19.875 3.611 1.00 1.22 C ATOM 5433 OD1 ASN C 83 24.544 19.199 2.965 1.00 1.99 O ATOM 5434 ND2 ASN C 83 22.886 20.619 3.003 1.00 1.83 N ATOM 0 H ASN C 83 23.381 19.434 7.528 1.00 0.56 H new ATOM 0 HA ASN C 83 22.659 18.033 5.184 1.00 0.57 H new ATOM 0 HB2 ASN C 83 23.058 20.547 5.536 1.00 0.66 H new ATOM 0 HB3 ASN C 83 24.779 20.219 5.488 1.00 0.66 H new ATOM 0 HD21 ASN C 83 22.847 20.634 1.984 1.00 1.83 H new ATOM 0 HD22 ASN C 83 22.235 21.186 3.547 1.00 1.83 H new ATOM 5441 N GLU C 84 25.873 17.811 5.906 1.00 0.52 N ATOM 5442 CA GLU C 84 27.072 16.988 5.597 1.00 0.52 C ATOM 5443 C GLU C 84 26.791 15.527 5.961 1.00 0.47 C ATOM 5444 O GLU C 84 27.097 14.620 5.212 1.00 0.47 O ATOM 5445 CB GLU C 84 28.261 17.534 6.409 1.00 0.55 C ATOM 5446 CG GLU C 84 29.546 17.506 5.575 1.00 1.26 C ATOM 5447 CD GLU C 84 30.668 18.186 6.360 1.00 1.70 C ATOM 5448 OE1 GLU C 84 30.605 19.394 6.517 1.00 2.23 O ATOM 5449 OE2 GLU C 84 31.571 17.488 6.791 1.00 2.29 O ATOM 0 H GLU C 84 26.015 18.546 6.599 1.00 0.52 H new ATOM 0 HA GLU C 84 27.310 17.038 4.534 1.00 0.52 H new ATOM 0 HB2 GLU C 84 28.051 18.555 6.728 1.00 0.55 H new ATOM 0 HB3 GLU C 84 28.395 16.939 7.312 1.00 0.55 H new ATOM 0 HG2 GLU C 84 29.820 16.477 5.342 1.00 1.26 H new ATOM 0 HG3 GLU C 84 29.389 18.017 4.625 1.00 1.26 H new ATOM 5456 N THR C 85 26.209 15.293 7.104 1.00 0.44 N ATOM 5457 CA THR C 85 25.911 13.893 7.510 1.00 0.42 C ATOM 5458 C THR C 85 24.820 13.318 6.605 1.00 0.38 C ATOM 5459 O THR C 85 24.864 12.164 6.228 1.00 0.38 O ATOM 5460 CB THR C 85 25.438 13.872 8.964 1.00 0.44 C ATOM 5461 OG1 THR C 85 24.400 14.823 9.129 1.00 0.43 O ATOM 5462 CG2 THR C 85 26.607 14.217 9.888 1.00 0.49 C ATOM 0 H THR C 85 25.928 16.010 7.773 1.00 0.44 H new ATOM 0 HA THR C 85 26.813 13.288 7.415 1.00 0.42 H new ATOM 0 HB THR C 85 25.066 12.879 9.215 1.00 0.44 H new ATOM 0 HG1 THR C 85 24.715 15.556 9.698 1.00 0.43 H new ATOM 0 HG21 THR C 85 26.269 14.202 10.924 1.00 0.49 H new ATOM 0 HG22 THR C 85 27.404 13.485 9.756 1.00 0.49 H new ATOM 0 HG23 THR C 85 26.983 15.211 9.644 1.00 0.49 H new ATOM 5470 N TRP C 86 23.837 14.104 6.253 1.00 0.36 N ATOM 5471 CA TRP C 86 22.759 13.570 5.376 1.00 0.33 C ATOM 5472 C TRP C 86 23.343 13.237 4.004 1.00 0.34 C ATOM 5473 O TRP C 86 23.003 12.235 3.407 1.00 0.33 O ATOM 5474 CB TRP C 86 21.622 14.586 5.214 1.00 0.34 C ATOM 5475 CG TRP C 86 20.411 13.866 4.708 1.00 0.32 C ATOM 5476 CD1 TRP C 86 20.006 13.810 3.418 1.00 0.34 C ATOM 5477 CD2 TRP C 86 19.457 13.076 5.472 1.00 0.29 C ATOM 5478 NE1 TRP C 86 18.862 13.033 3.341 1.00 0.33 N ATOM 5479 CE2 TRP C 86 18.481 12.558 4.581 1.00 0.29 C ATOM 5480 CE3 TRP C 86 19.346 12.765 6.843 1.00 0.28 C ATOM 5481 CZ2 TRP C 86 17.428 11.751 5.041 1.00 0.28 C ATOM 5482 CZ3 TRP C 86 18.292 11.959 7.308 1.00 0.26 C ATOM 5483 CH2 TRP C 86 17.335 11.452 6.410 1.00 0.27 C ATOM 0 H TRP C 86 23.735 15.080 6.531 1.00 0.36 H new ATOM 0 HA TRP C 86 22.351 12.672 5.840 1.00 0.33 H new ATOM 0 HB2 TRP C 86 21.406 15.068 6.168 1.00 0.34 H new ATOM 0 HB3 TRP C 86 21.913 15.373 4.518 1.00 0.34 H new ATOM 0 HD1 TRP C 86 20.495 14.292 2.585 1.00 0.34 H new ATOM 0 HE1 TRP C 86 18.362 12.836 2.474 1.00 0.33 H new ATOM 0 HE3 TRP C 86 20.076 13.149 7.541 1.00 0.28 H new ATOM 0 HZ2 TRP C 86 16.696 11.364 4.348 1.00 0.28 H new ATOM 0 HZ3 TRP C 86 18.217 11.728 8.360 1.00 0.26 H new ATOM 0 HH2 TRP C 86 16.528 10.833 6.774 1.00 0.27 H new ATOM 5494 N GLN C 87 24.224 14.056 3.494 1.00 0.37 N ATOM 5495 CA GLN C 87 24.808 13.741 2.163 1.00 0.39 C ATOM 5496 C GLN C 87 25.496 12.381 2.260 1.00 0.37 C ATOM 5497 O GLN C 87 25.302 11.521 1.428 1.00 0.38 O ATOM 5498 CB GLN C 87 25.838 14.807 1.772 1.00 0.42 C ATOM 5499 CG GLN C 87 25.133 16.120 1.418 1.00 0.46 C ATOM 5500 CD GLN C 87 26.177 17.231 1.275 1.00 0.53 C ATOM 5501 OE1 GLN C 87 27.275 17.116 1.784 1.00 1.21 O ATOM 5502 NE2 GLN C 87 25.884 18.307 0.597 1.00 1.03 N ATOM 0 H GLN C 87 24.558 14.914 3.933 1.00 0.37 H new ATOM 0 HA GLN C 87 24.023 13.723 1.407 1.00 0.39 H new ATOM 0 HB2 GLN C 87 26.534 14.970 2.595 1.00 0.42 H new ATOM 0 HB3 GLN C 87 26.426 14.461 0.922 1.00 0.42 H new ATOM 0 HG2 GLN C 87 24.575 16.008 0.489 1.00 0.46 H new ATOM 0 HG3 GLN C 87 24.412 16.380 2.193 1.00 0.46 H new ATOM 0 HE21 GLN C 87 24.963 18.405 0.169 1.00 1.03 H new ATOM 0 HE22 GLN C 87 26.576 19.050 0.495 1.00 1.03 H new ATOM 5511 N GLU C 88 26.266 12.163 3.291 1.00 0.37 N ATOM 5512 CA GLU C 88 26.942 10.842 3.446 1.00 0.37 C ATOM 5513 C GLU C 88 25.887 9.733 3.435 1.00 0.34 C ATOM 5514 O GLU C 88 26.062 8.702 2.816 1.00 0.34 O ATOM 5515 CB GLU C 88 27.705 10.812 4.785 1.00 0.39 C ATOM 5516 CG GLU C 88 29.178 11.175 4.579 1.00 1.18 C ATOM 5517 CD GLU C 88 29.908 11.095 5.922 1.00 1.42 C ATOM 5518 OE1 GLU C 88 29.235 10.961 6.930 1.00 1.96 O ATOM 5519 OE2 GLU C 88 31.126 11.153 5.917 1.00 1.92 O ATOM 0 H GLU C 88 26.456 12.839 4.031 1.00 0.37 H new ATOM 0 HA GLU C 88 27.643 10.689 2.626 1.00 0.37 H new ATOM 0 HB2 GLU C 88 27.248 11.511 5.485 1.00 0.39 H new ATOM 0 HB3 GLU C 88 27.629 9.820 5.230 1.00 0.39 H new ATOM 0 HG2 GLU C 88 29.636 10.494 3.861 1.00 1.18 H new ATOM 0 HG3 GLU C 88 29.263 12.179 4.164 1.00 1.18 H new ATOM 5526 N TRP C 89 24.801 9.932 4.122 1.00 0.32 N ATOM 5527 CA TRP C 89 23.742 8.887 4.161 1.00 0.29 C ATOM 5528 C TRP C 89 23.232 8.611 2.745 1.00 0.30 C ATOM 5529 O TRP C 89 23.150 7.478 2.310 1.00 0.30 O ATOM 5530 CB TRP C 89 22.597 9.393 5.044 1.00 0.28 C ATOM 5531 CG TRP C 89 21.420 8.480 4.939 1.00 0.25 C ATOM 5532 CD1 TRP C 89 21.320 7.274 5.540 1.00 0.25 C ATOM 5533 CD2 TRP C 89 20.174 8.682 4.209 1.00 0.24 C ATOM 5534 NE1 TRP C 89 20.096 6.716 5.223 1.00 0.23 N ATOM 5535 CE2 TRP C 89 19.351 7.543 4.407 1.00 0.23 C ATOM 5536 CE3 TRP C 89 19.682 9.730 3.401 1.00 0.26 C ATOM 5537 CZ2 TRP C 89 18.081 7.446 3.823 1.00 0.23 C ATOM 5538 CZ3 TRP C 89 18.405 9.637 2.812 1.00 0.27 C ATOM 5539 CH2 TRP C 89 17.607 8.498 3.023 1.00 0.25 C ATOM 0 H TRP C 89 24.599 10.775 4.660 1.00 0.32 H new ATOM 0 HA TRP C 89 24.144 7.960 4.569 1.00 0.29 H new ATOM 0 HB2 TRP C 89 22.928 9.454 6.081 1.00 0.28 H new ATOM 0 HB3 TRP C 89 22.313 10.401 4.741 1.00 0.28 H new ATOM 0 HD1 TRP C 89 22.074 6.820 6.166 1.00 0.25 H new ATOM 0 HE1 TRP C 89 19.781 5.803 5.552 1.00 0.23 H new ATOM 0 HE3 TRP C 89 20.288 10.608 3.233 1.00 0.26 H new ATOM 0 HZ2 TRP C 89 17.472 6.569 3.987 1.00 0.23 H new ATOM 0 HZ3 TRP C 89 18.037 10.444 2.196 1.00 0.27 H new ATOM 0 HH2 TRP C 89 16.629 8.433 2.569 1.00 0.25 H new ATOM 5550 N GLU C 90 22.887 9.638 2.025 1.00 0.31 N ATOM 5551 CA GLU C 90 22.378 9.444 0.640 1.00 0.33 C ATOM 5552 C GLU C 90 23.451 8.772 -0.215 1.00 0.33 C ATOM 5553 O GLU C 90 23.165 7.927 -1.040 1.00 0.34 O ATOM 5554 CB GLU C 90 22.036 10.810 0.044 1.00 0.37 C ATOM 5555 CG GLU C 90 21.479 10.637 -1.370 1.00 0.85 C ATOM 5556 CD GLU C 90 20.996 11.991 -1.892 1.00 1.16 C ATOM 5557 OE1 GLU C 90 20.332 12.689 -1.142 1.00 1.82 O ATOM 5558 OE2 GLU C 90 21.301 12.311 -3.029 1.00 1.67 O ATOM 0 H GLU C 90 22.935 10.608 2.336 1.00 0.31 H new ATOM 0 HA GLU C 90 21.490 8.812 0.660 1.00 0.33 H new ATOM 0 HB2 GLU C 90 21.305 11.318 0.673 1.00 0.37 H new ATOM 0 HB3 GLU C 90 22.926 11.439 0.019 1.00 0.37 H new ATOM 0 HG2 GLU C 90 22.248 10.233 -2.029 1.00 0.85 H new ATOM 0 HG3 GLU C 90 20.656 9.922 -1.364 1.00 0.85 H new ATOM 5565 N ARG C 91 24.681 9.163 -0.039 1.00 0.34 N ATOM 5566 CA ARG C 91 25.777 8.575 -0.856 1.00 0.36 C ATOM 5567 C ARG C 91 25.943 7.085 -0.576 1.00 0.34 C ATOM 5568 O ARG C 91 26.132 6.297 -1.482 1.00 0.34 O ATOM 5569 CB ARG C 91 27.095 9.271 -0.520 1.00 0.40 C ATOM 5570 CG ARG C 91 27.095 10.719 -1.044 1.00 0.44 C ATOM 5571 CD ARG C 91 28.502 11.091 -1.491 1.00 1.07 C ATOM 5572 NE ARG C 91 28.539 12.551 -1.771 1.00 1.67 N ATOM 5573 CZ ARG C 91 29.658 13.106 -2.123 1.00 2.30 C ATOM 5574 NH1 ARG C 91 30.695 12.353 -2.362 1.00 2.61 N ATOM 5575 NH2 ARG C 91 29.733 14.399 -2.268 1.00 3.18 N ATOM 0 H ARG C 91 24.975 9.867 0.638 1.00 0.34 H new ATOM 0 HA ARG C 91 25.518 8.714 -1.906 1.00 0.36 H new ATOM 0 HB2 ARG C 91 27.248 9.270 0.559 1.00 0.40 H new ATOM 0 HB3 ARG C 91 27.926 8.720 -0.960 1.00 0.40 H new ATOM 0 HG2 ARG C 91 26.398 10.817 -1.877 1.00 0.44 H new ATOM 0 HG3 ARG C 91 26.757 11.401 -0.264 1.00 0.44 H new ATOM 0 HD2 ARG C 91 29.225 10.836 -0.716 1.00 1.07 H new ATOM 0 HD3 ARG C 91 28.777 10.527 -2.382 1.00 1.07 H new ATOM 0 HE ARG C 91 27.691 13.112 -1.687 1.00 1.67 H new ATOM 0 HH11 ARG C 91 30.621 11.340 -2.272 1.00 2.61 H new ATOM 0 HH12 ARG C 91 31.580 12.777 -2.639 1.00 2.61 H new ATOM 0 HH21 ARG C 91 28.910 14.979 -2.105 1.00 3.18 H new ATOM 0 HH22 ARG C 91 30.615 14.831 -2.545 1.00 3.18 H new ATOM 5589 N LYS C 92 25.900 6.683 0.660 1.00 0.33 N ATOM 5590 CA LYS C 92 26.087 5.240 0.942 1.00 0.33 C ATOM 5591 C LYS C 92 24.988 4.471 0.222 1.00 0.31 C ATOM 5592 O LYS C 92 25.225 3.437 -0.369 1.00 0.32 O ATOM 5593 CB LYS C 92 26.051 4.999 2.449 1.00 0.34 C ATOM 5594 CG LYS C 92 27.318 5.604 3.057 1.00 0.68 C ATOM 5595 CD LYS C 92 27.427 5.240 4.540 1.00 1.08 C ATOM 5596 CE LYS C 92 28.869 5.465 5.017 1.00 1.41 C ATOM 5597 NZ LYS C 92 28.877 5.701 6.487 1.00 2.13 N ATOM 0 H LYS C 92 25.746 7.280 1.473 1.00 0.33 H new ATOM 0 HA LYS C 92 27.056 4.895 0.582 1.00 0.33 H new ATOM 0 HB2 LYS C 92 25.163 5.456 2.886 1.00 0.34 H new ATOM 0 HB3 LYS C 92 25.998 3.931 2.663 1.00 0.34 H new ATOM 0 HG2 LYS C 92 28.195 5.240 2.522 1.00 0.68 H new ATOM 0 HG3 LYS C 92 27.302 6.688 2.943 1.00 0.68 H new ATOM 0 HD2 LYS C 92 26.739 5.849 5.127 1.00 1.08 H new ATOM 0 HD3 LYS C 92 27.140 4.199 4.692 1.00 1.08 H new ATOM 0 HE2 LYS C 92 29.483 4.597 4.774 1.00 1.41 H new ATOM 0 HE3 LYS C 92 29.305 6.319 4.499 1.00 1.41 H new ATOM 0 HZ1 LYS C 92 29.854 5.853 6.809 1.00 2.13 H new ATOM 0 HZ2 LYS C 92 28.305 6.541 6.707 1.00 2.13 H new ATOM 0 HZ3 LYS C 92 28.477 4.873 6.974 1.00 2.13 H new ATOM 5611 N VAL C 93 23.795 4.988 0.223 1.00 0.29 N ATOM 5612 CA VAL C 93 22.705 4.297 -0.510 1.00 0.28 C ATOM 5613 C VAL C 93 23.112 4.214 -1.983 1.00 0.29 C ATOM 5614 O VAL C 93 22.885 3.227 -2.653 1.00 0.29 O ATOM 5615 CB VAL C 93 21.418 5.116 -0.385 1.00 0.28 C ATOM 5616 CG1 VAL C 93 20.342 4.533 -1.304 1.00 0.30 C ATOM 5617 CG2 VAL C 93 20.932 5.091 1.065 1.00 0.28 C ATOM 0 H VAL C 93 23.529 5.852 0.696 1.00 0.29 H new ATOM 0 HA VAL C 93 22.537 3.300 -0.102 1.00 0.28 H new ATOM 0 HB VAL C 93 21.617 6.147 -0.679 1.00 0.28 H new ATOM 0 HG11 VAL C 93 19.428 5.119 -1.211 1.00 0.30 H new ATOM 0 HG12 VAL C 93 20.690 4.564 -2.337 1.00 0.30 H new ATOM 0 HG13 VAL C 93 20.141 3.500 -1.019 1.00 0.30 H new ATOM 0 HG21 VAL C 93 20.016 5.675 1.152 1.00 0.28 H new ATOM 0 HG22 VAL C 93 20.736 4.062 1.365 1.00 0.28 H new ATOM 0 HG23 VAL C 93 21.697 5.519 1.713 1.00 0.28 H new ATOM 5627 N ASP C 94 23.701 5.264 -2.487 1.00 0.30 N ATOM 5628 CA ASP C 94 24.122 5.293 -3.917 1.00 0.32 C ATOM 5629 C ASP C 94 25.155 4.188 -4.191 1.00 0.33 C ATOM 5630 O ASP C 94 25.045 3.456 -5.154 1.00 0.35 O ATOM 5631 CB ASP C 94 24.728 6.681 -4.215 1.00 0.35 C ATOM 5632 CG ASP C 94 24.245 7.226 -5.567 1.00 1.27 C ATOM 5633 OD1 ASP C 94 23.740 6.450 -6.360 1.00 2.04 O ATOM 5634 OD2 ASP C 94 24.391 8.418 -5.783 1.00 1.96 O ATOM 0 H ASP C 94 23.911 6.113 -1.962 1.00 0.30 H new ATOM 0 HA ASP C 94 23.262 5.116 -4.563 1.00 0.32 H new ATOM 0 HB2 ASP C 94 24.454 7.377 -3.422 1.00 0.35 H new ATOM 0 HB3 ASP C 94 25.816 6.612 -4.217 1.00 0.35 H new ATOM 5639 N PHE C 95 26.161 4.066 -3.366 1.00 0.33 N ATOM 5640 CA PHE C 95 27.191 3.014 -3.610 1.00 0.35 C ATOM 5641 C PHE C 95 26.570 1.627 -3.444 1.00 0.34 C ATOM 5642 O PHE C 95 26.857 0.718 -4.199 1.00 0.34 O ATOM 5643 CB PHE C 95 28.344 3.167 -2.615 1.00 0.39 C ATOM 5644 CG PHE C 95 29.148 4.403 -2.949 1.00 0.42 C ATOM 5645 CD1 PHE C 95 29.945 4.428 -4.107 1.00 0.46 C ATOM 5646 CD2 PHE C 95 29.103 5.524 -2.103 1.00 0.42 C ATOM 5647 CE1 PHE C 95 30.697 5.574 -4.419 1.00 0.51 C ATOM 5648 CE2 PHE C 95 29.856 6.670 -2.414 1.00 0.46 C ATOM 5649 CZ PHE C 95 30.653 6.695 -3.572 1.00 0.51 C ATOM 0 H PHE C 95 26.314 4.644 -2.540 1.00 0.33 H new ATOM 0 HA PHE C 95 27.569 3.127 -4.626 1.00 0.35 H new ATOM 0 HB2 PHE C 95 27.953 3.239 -1.600 1.00 0.39 H new ATOM 0 HB3 PHE C 95 28.984 2.286 -2.648 1.00 0.39 H new ATOM 0 HD1 PHE C 95 29.979 3.566 -4.757 1.00 0.46 H new ATOM 0 HD2 PHE C 95 28.490 5.505 -1.214 1.00 0.42 H new ATOM 0 HE1 PHE C 95 31.308 5.593 -5.309 1.00 0.51 H new ATOM 0 HE2 PHE C 95 29.822 7.531 -1.763 1.00 0.46 H new ATOM 0 HZ PHE C 95 31.231 7.575 -3.811 1.00 0.51 H new ATOM 5659 N LEU C 96 25.720 1.449 -2.471 1.00 0.32 N ATOM 5660 CA LEU C 96 25.092 0.113 -2.283 1.00 0.32 C ATOM 5661 C LEU C 96 24.153 -0.158 -3.454 1.00 0.31 C ATOM 5662 O LEU C 96 24.075 -1.257 -3.965 1.00 0.32 O ATOM 5663 CB LEU C 96 24.281 0.106 -0.989 1.00 0.32 C ATOM 5664 CG LEU C 96 25.210 0.322 0.215 1.00 0.33 C ATOM 5665 CD1 LEU C 96 24.377 0.515 1.499 1.00 0.35 C ATOM 5666 CD2 LEU C 96 26.153 -0.885 0.378 1.00 0.36 C ATOM 0 H LEU C 96 25.435 2.165 -1.803 1.00 0.32 H new ATOM 0 HA LEU C 96 25.867 -0.652 -2.233 1.00 0.32 H new ATOM 0 HB2 LEU C 96 23.524 0.890 -1.020 1.00 0.32 H new ATOM 0 HB3 LEU C 96 23.753 -0.842 -0.886 1.00 0.32 H new ATOM 0 HG LEU C 96 25.807 1.218 0.042 1.00 0.33 H new ATOM 0 HD11 LEU C 96 25.045 0.667 2.347 1.00 0.35 H new ATOM 0 HD12 LEU C 96 23.730 1.385 1.386 1.00 0.35 H new ATOM 0 HD13 LEU C 96 23.766 -0.371 1.673 1.00 0.35 H new ATOM 0 HD21 LEU C 96 26.808 -0.722 1.234 1.00 0.36 H new ATOM 0 HD22 LEU C 96 25.564 -1.788 0.538 1.00 0.36 H new ATOM 0 HD23 LEU C 96 26.756 -1.000 -0.523 1.00 0.36 H new ATOM 5678 N GLU C 97 23.435 0.843 -3.879 1.00 0.31 N ATOM 5679 CA GLU C 97 22.497 0.652 -5.014 1.00 0.32 C ATOM 5680 C GLU C 97 23.296 0.254 -6.255 1.00 0.33 C ATOM 5681 O GLU C 97 22.966 -0.685 -6.950 1.00 0.36 O ATOM 5682 CB GLU C 97 21.761 1.966 -5.278 1.00 0.34 C ATOM 5683 CG GLU C 97 20.557 1.709 -6.186 1.00 0.95 C ATOM 5684 CD GLU C 97 19.827 3.028 -6.444 1.00 1.22 C ATOM 5685 OE1 GLU C 97 20.155 4.003 -5.787 1.00 1.69 O ATOM 5686 OE2 GLU C 97 18.949 3.041 -7.291 1.00 1.86 O ATOM 0 H GLU C 97 23.459 1.785 -3.488 1.00 0.31 H new ATOM 0 HA GLU C 97 21.774 -0.129 -4.778 1.00 0.32 H new ATOM 0 HB2 GLU C 97 21.431 2.405 -4.336 1.00 0.34 H new ATOM 0 HB3 GLU C 97 22.435 2.684 -5.746 1.00 0.34 H new ATOM 0 HG2 GLU C 97 20.885 1.271 -7.129 1.00 0.95 H new ATOM 0 HG3 GLU C 97 19.882 0.992 -5.719 1.00 0.95 H new ATOM 5693 N GLU C 98 24.349 0.972 -6.532 1.00 0.34 N ATOM 5694 CA GLU C 98 25.184 0.662 -7.724 1.00 0.37 C ATOM 5695 C GLU C 98 25.746 -0.756 -7.595 1.00 0.36 C ATOM 5696 O GLU C 98 25.819 -1.499 -8.554 1.00 0.37 O ATOM 5697 CB GLU C 98 26.326 1.682 -7.794 1.00 0.40 C ATOM 5698 CG GLU C 98 26.892 1.749 -9.214 1.00 1.19 C ATOM 5699 CD GLU C 98 27.986 2.817 -9.267 1.00 1.33 C ATOM 5700 OE1 GLU C 98 28.096 3.571 -8.314 1.00 1.77 O ATOM 5701 OE2 GLU C 98 28.688 2.871 -10.263 1.00 1.86 O ATOM 0 H GLU C 98 24.669 1.767 -5.978 1.00 0.34 H new ATOM 0 HA GLU C 98 24.587 0.719 -8.634 1.00 0.37 H new ATOM 0 HB2 GLU C 98 25.964 2.665 -7.493 1.00 0.40 H new ATOM 0 HB3 GLU C 98 27.114 1.404 -7.094 1.00 0.40 H new ATOM 0 HG2 GLU C 98 27.298 0.780 -9.503 1.00 1.19 H new ATOM 0 HG3 GLU C 98 26.100 1.987 -9.924 1.00 1.19 H new ATOM 5708 N ASN C 99 26.153 -1.129 -6.413 1.00 0.35 N ATOM 5709 CA ASN C 99 26.721 -2.491 -6.210 1.00 0.35 C ATOM 5710 C ASN C 99 25.622 -3.535 -6.441 1.00 0.33 C ATOM 5711 O ASN C 99 25.831 -4.536 -7.099 1.00 0.35 O ATOM 5712 CB ASN C 99 27.266 -2.585 -4.771 1.00 0.37 C ATOM 5713 CG ASN C 99 28.638 -3.270 -4.751 1.00 1.25 C ATOM 5714 OD1 ASN C 99 28.819 -4.317 -5.341 1.00 2.16 O ATOM 5715 ND2 ASN C 99 29.616 -2.713 -4.091 1.00 1.83 N ATOM 0 H ASN C 99 26.116 -0.547 -5.576 1.00 0.35 H new ATOM 0 HA ASN C 99 27.532 -2.679 -6.914 1.00 0.35 H new ATOM 0 HB2 ASN C 99 27.347 -1.586 -4.342 1.00 0.37 H new ATOM 0 HB3 ASN C 99 26.567 -3.143 -4.148 1.00 0.37 H new ATOM 0 HD21 ASN C 99 30.534 -3.156 -4.070 1.00 1.83 H new ATOM 0 HD22 ASN C 99 29.462 -1.834 -3.596 1.00 1.83 H new ATOM 5722 N ILE C 100 24.452 -3.310 -5.907 1.00 0.31 N ATOM 5723 CA ILE C 100 23.352 -4.293 -6.102 1.00 0.30 C ATOM 5724 C ILE C 100 23.048 -4.419 -7.597 1.00 0.31 C ATOM 5725 O ILE C 100 22.849 -5.502 -8.106 1.00 0.33 O ATOM 5726 CB ILE C 100 22.094 -3.831 -5.348 1.00 0.29 C ATOM 5727 CG1 ILE C 100 22.363 -3.918 -3.834 1.00 0.29 C ATOM 5728 CG2 ILE C 100 20.889 -4.723 -5.735 1.00 0.29 C ATOM 5729 CD1 ILE C 100 21.346 -3.070 -3.058 1.00 0.30 C ATOM 0 H ILE C 100 24.212 -2.492 -5.347 1.00 0.31 H new ATOM 0 HA ILE C 100 23.658 -5.263 -5.710 1.00 0.30 H new ATOM 0 HB ILE C 100 21.857 -2.801 -5.616 1.00 0.29 H new ATOM 0 HG12 ILE C 100 22.304 -4.956 -3.507 1.00 0.29 H new ATOM 0 HG13 ILE C 100 23.374 -3.572 -3.618 1.00 0.29 H new ATOM 0 HG21 ILE C 100 20.002 -4.389 -5.197 1.00 0.29 H new ATOM 0 HG22 ILE C 100 20.712 -4.649 -6.808 1.00 0.29 H new ATOM 0 HG23 ILE C 100 21.104 -5.759 -5.473 1.00 0.29 H new ATOM 0 HD11 ILE C 100 21.551 -3.143 -1.990 1.00 0.30 H new ATOM 0 HD12 ILE C 100 21.425 -2.029 -3.372 1.00 0.30 H new ATOM 0 HD13 ILE C 100 20.339 -3.435 -3.260 1.00 0.30 H new ATOM 5741 N THR C 101 23.016 -3.325 -8.308 1.00 0.33 N ATOM 5742 CA THR C 101 22.725 -3.407 -9.768 1.00 0.36 C ATOM 5743 C THR C 101 23.816 -4.225 -10.464 1.00 0.38 C ATOM 5744 O THR C 101 23.540 -5.017 -11.343 1.00 0.40 O ATOM 5745 CB THR C 101 22.673 -1.997 -10.368 1.00 0.39 C ATOM 5746 OG1 THR C 101 23.849 -1.288 -10.006 1.00 0.40 O ATOM 5747 CG2 THR C 101 21.442 -1.247 -9.848 1.00 0.39 C ATOM 0 H THR C 101 23.177 -2.385 -7.945 1.00 0.33 H new ATOM 0 HA THR C 101 21.760 -3.893 -9.915 1.00 0.36 H new ATOM 0 HB THR C 101 22.608 -2.073 -11.453 1.00 0.39 H new ATOM 0 HG1 THR C 101 24.372 -1.823 -9.373 1.00 0.40 H new ATOM 0 HG21 THR C 101 21.416 -0.247 -10.281 1.00 0.39 H new ATOM 0 HG22 THR C 101 20.539 -1.789 -10.131 1.00 0.39 H new ATOM 0 HG23 THR C 101 21.494 -1.171 -8.762 1.00 0.39 H new ATOM 5755 N ALA C 102 25.051 -4.050 -10.081 1.00 0.38 N ATOM 5756 CA ALA C 102 26.143 -4.830 -10.730 1.00 0.42 C ATOM 5757 C ALA C 102 25.918 -6.323 -10.466 1.00 0.40 C ATOM 5758 O ALA C 102 25.944 -7.135 -11.369 1.00 0.42 O ATOM 5759 CB ALA C 102 27.502 -4.376 -10.160 1.00 0.44 C ATOM 0 H ALA C 102 25.350 -3.404 -9.351 1.00 0.38 H new ATOM 0 HA ALA C 102 26.141 -4.658 -11.806 1.00 0.42 H new ATOM 0 HB1 ALA C 102 28.303 -4.945 -10.633 1.00 0.44 H new ATOM 0 HB2 ALA C 102 27.644 -3.314 -10.360 1.00 0.44 H new ATOM 0 HB3 ALA C 102 27.521 -4.548 -9.084 1.00 0.44 H new ATOM 5765 N LEU C 103 25.697 -6.688 -9.233 1.00 0.37 N ATOM 5766 CA LEU C 103 25.473 -8.125 -8.913 1.00 0.36 C ATOM 5767 C LEU C 103 24.237 -8.625 -9.662 1.00 0.34 C ATOM 5768 O LEU C 103 24.232 -9.710 -10.211 1.00 0.36 O ATOM 5769 CB LEU C 103 25.246 -8.278 -7.408 1.00 0.34 C ATOM 5770 CG LEU C 103 26.527 -7.942 -6.634 1.00 0.36 C ATOM 5771 CD1 LEU C 103 26.228 -7.966 -5.131 1.00 0.38 C ATOM 5772 CD2 LEU C 103 27.635 -8.960 -6.957 1.00 0.43 C ATOM 0 H LEU C 103 25.662 -6.054 -8.435 1.00 0.37 H new ATOM 0 HA LEU C 103 26.344 -8.706 -9.215 1.00 0.36 H new ATOM 0 HB2 LEU C 103 24.438 -7.621 -7.088 1.00 0.34 H new ATOM 0 HB3 LEU C 103 24.935 -9.298 -7.183 1.00 0.34 H new ATOM 0 HG LEU C 103 26.870 -6.950 -6.929 1.00 0.36 H new ATOM 0 HD11 LEU C 103 27.135 -7.728 -4.576 1.00 0.38 H new ATOM 0 HD12 LEU C 103 25.458 -7.229 -4.901 1.00 0.38 H new ATOM 0 HD13 LEU C 103 25.878 -8.958 -4.845 1.00 0.38 H new ATOM 0 HD21 LEU C 103 28.536 -8.706 -6.399 1.00 0.43 H new ATOM 0 HD22 LEU C 103 27.304 -9.960 -6.676 1.00 0.43 H new ATOM 0 HD23 LEU C 103 27.851 -8.936 -8.025 1.00 0.43 H new ATOM 5784 N LEU C 104 23.188 -7.847 -9.693 1.00 0.33 N ATOM 5785 CA LEU C 104 21.964 -8.295 -10.414 1.00 0.33 C ATOM 5786 C LEU C 104 22.293 -8.510 -11.891 1.00 0.37 C ATOM 5787 O LEU C 104 21.902 -9.495 -12.486 1.00 0.39 O ATOM 5788 CB LEU C 104 20.858 -7.238 -10.292 1.00 0.33 C ATOM 5789 CG LEU C 104 20.319 -7.180 -8.853 1.00 0.29 C ATOM 5790 CD1 LEU C 104 19.423 -5.945 -8.707 1.00 0.31 C ATOM 5791 CD2 LEU C 104 19.498 -8.451 -8.527 1.00 0.27 C ATOM 0 H LEU C 104 23.126 -6.928 -9.254 1.00 0.33 H new ATOM 0 HA LEU C 104 21.616 -9.228 -9.971 1.00 0.33 H new ATOM 0 HB2 LEU C 104 21.248 -6.262 -10.579 1.00 0.33 H new ATOM 0 HB3 LEU C 104 20.046 -7.472 -10.981 1.00 0.33 H new ATOM 0 HG LEU C 104 21.159 -7.122 -8.161 1.00 0.29 H new ATOM 0 HD11 LEU C 104 19.036 -5.895 -7.689 1.00 0.31 H new ATOM 0 HD12 LEU C 104 20.004 -5.047 -8.919 1.00 0.31 H new ATOM 0 HD13 LEU C 104 18.592 -6.014 -9.409 1.00 0.31 H new ATOM 0 HD21 LEU C 104 19.125 -8.391 -7.504 1.00 0.27 H new ATOM 0 HD22 LEU C 104 18.657 -8.527 -9.216 1.00 0.27 H new ATOM 0 HD23 LEU C 104 20.133 -9.331 -8.631 1.00 0.27 H new ATOM 5803 N GLU C 105 23.005 -7.597 -12.492 1.00 0.40 N ATOM 5804 CA GLU C 105 23.348 -7.761 -13.931 1.00 0.45 C ATOM 5805 C GLU C 105 24.154 -9.046 -14.123 1.00 0.46 C ATOM 5806 O GLU C 105 23.914 -9.806 -15.040 1.00 0.48 O ATOM 5807 CB GLU C 105 24.162 -6.556 -14.405 1.00 0.49 C ATOM 5808 CG GLU C 105 24.509 -6.732 -15.884 1.00 0.53 C ATOM 5809 CD GLU C 105 25.028 -5.410 -16.451 1.00 1.15 C ATOM 5810 OE1 GLU C 105 25.086 -4.449 -15.703 1.00 1.83 O ATOM 5811 OE2 GLU C 105 25.352 -5.380 -17.627 1.00 1.85 O ATOM 0 H GLU C 105 23.362 -6.749 -12.051 1.00 0.40 H new ATOM 0 HA GLU C 105 22.432 -7.825 -14.518 1.00 0.45 H new ATOM 0 HB2 GLU C 105 23.593 -5.638 -14.260 1.00 0.49 H new ATOM 0 HB3 GLU C 105 25.073 -6.463 -13.814 1.00 0.49 H new ATOM 0 HG2 GLU C 105 25.263 -7.510 -16.001 1.00 0.53 H new ATOM 0 HG3 GLU C 105 23.628 -7.056 -16.438 1.00 0.53 H new ATOM 5818 N GLU C 106 25.101 -9.302 -13.263 1.00 0.45 N ATOM 5819 CA GLU C 106 25.908 -10.546 -13.402 1.00 0.47 C ATOM 5820 C GLU C 106 25.001 -11.763 -13.188 1.00 0.44 C ATOM 5821 O GLU C 106 25.087 -12.743 -13.901 1.00 0.46 O ATOM 5822 CB GLU C 106 27.047 -10.535 -12.358 1.00 0.49 C ATOM 5823 CG GLU C 106 28.401 -10.274 -13.032 1.00 1.17 C ATOM 5824 CD GLU C 106 29.521 -10.452 -12.006 1.00 1.66 C ATOM 5825 OE1 GLU C 106 29.299 -10.122 -10.854 1.00 2.25 O ATOM 5826 OE2 GLU C 106 30.579 -10.924 -12.389 1.00 2.27 O ATOM 0 H GLU C 106 25.350 -8.706 -12.473 1.00 0.45 H new ATOM 0 HA GLU C 106 26.343 -10.599 -14.400 1.00 0.47 H new ATOM 0 HB2 GLU C 106 26.854 -9.766 -11.610 1.00 0.49 H new ATOM 0 HB3 GLU C 106 27.075 -11.490 -11.833 1.00 0.49 H new ATOM 0 HG2 GLU C 106 28.544 -10.962 -13.865 1.00 1.17 H new ATOM 0 HG3 GLU C 106 28.427 -9.265 -13.443 1.00 1.17 H new ATOM 5833 N ALA C 107 24.137 -11.713 -12.213 1.00 0.40 N ATOM 5834 CA ALA C 107 23.239 -12.874 -11.965 1.00 0.37 C ATOM 5835 C ALA C 107 22.383 -13.133 -13.205 1.00 0.40 C ATOM 5836 O ALA C 107 22.171 -14.263 -13.597 1.00 0.41 O ATOM 5837 CB ALA C 107 22.334 -12.578 -10.767 1.00 0.34 C ATOM 0 H ALA C 107 24.014 -10.923 -11.580 1.00 0.40 H new ATOM 0 HA ALA C 107 23.841 -13.757 -11.751 1.00 0.37 H new ATOM 0 HB1 ALA C 107 21.678 -13.430 -10.588 1.00 0.34 H new ATOM 0 HB2 ALA C 107 22.947 -12.400 -9.883 1.00 0.34 H new ATOM 0 HB3 ALA C 107 21.732 -11.694 -10.975 1.00 0.34 H new ATOM 5843 N GLN C 108 21.883 -12.098 -13.826 1.00 0.42 N ATOM 5844 CA GLN C 108 21.039 -12.301 -15.037 1.00 0.46 C ATOM 5845 C GLN C 108 21.868 -12.948 -16.145 1.00 0.50 C ATOM 5846 O GLN C 108 21.461 -13.917 -16.754 1.00 0.53 O ATOM 5847 CB GLN C 108 20.510 -10.956 -15.531 1.00 0.49 C ATOM 5848 CG GLN C 108 19.477 -10.423 -14.540 1.00 0.47 C ATOM 5849 CD GLN C 108 18.929 -9.091 -15.048 1.00 0.98 C ATOM 5850 OE1 GLN C 108 19.577 -8.404 -15.813 1.00 1.68 O ATOM 5851 NE2 GLN C 108 17.748 -8.697 -14.657 1.00 1.58 N ATOM 0 H GLN C 108 22.022 -11.126 -13.548 1.00 0.42 H new ATOM 0 HA GLN C 108 20.203 -12.951 -14.778 1.00 0.46 H new ATOM 0 HB2 GLN C 108 21.330 -10.246 -15.635 1.00 0.49 H new ATOM 0 HB3 GLN C 108 20.060 -11.070 -16.517 1.00 0.49 H new ATOM 0 HG2 GLN C 108 18.666 -11.141 -14.421 1.00 0.47 H new ATOM 0 HG3 GLN C 108 19.932 -10.291 -13.558 1.00 0.47 H new ATOM 0 HE21 GLN C 108 17.205 -9.274 -14.015 1.00 1.58 H new ATOM 0 HE22 GLN C 108 17.368 -7.812 -14.993 1.00 1.58 H new ATOM 5860 N ILE C 109 23.033 -12.425 -16.408 1.00 0.52 N ATOM 5861 CA ILE C 109 23.884 -13.019 -17.474 1.00 0.57 C ATOM 5862 C ILE C 109 24.185 -14.469 -17.101 1.00 0.56 C ATOM 5863 O ILE C 109 24.110 -15.366 -17.917 1.00 0.58 O ATOM 5864 CB ILE C 109 25.203 -12.246 -17.576 1.00 0.61 C ATOM 5865 CG1 ILE C 109 24.925 -10.813 -18.054 1.00 0.64 C ATOM 5866 CG2 ILE C 109 26.138 -12.950 -18.566 1.00 0.67 C ATOM 5867 CD1 ILE C 109 26.196 -9.947 -17.950 1.00 0.67 C ATOM 0 H ILE C 109 23.431 -11.615 -15.932 1.00 0.52 H new ATOM 0 HA ILE C 109 23.364 -12.970 -18.431 1.00 0.57 H new ATOM 0 HB ILE C 109 25.678 -12.212 -16.596 1.00 0.61 H new ATOM 0 HG12 ILE C 109 24.574 -10.830 -19.086 1.00 0.64 H new ATOM 0 HG13 ILE C 109 24.129 -10.372 -17.454 1.00 0.64 H new ATOM 0 HG21 ILE C 109 27.075 -12.398 -18.637 1.00 0.67 H new ATOM 0 HG22 ILE C 109 26.339 -13.964 -18.219 1.00 0.67 H new ATOM 0 HG23 ILE C 109 25.665 -12.990 -19.547 1.00 0.67 H new ATOM 0 HD11 ILE C 109 25.977 -8.936 -18.294 1.00 0.67 H new ATOM 0 HD12 ILE C 109 26.530 -9.913 -16.913 1.00 0.67 H new ATOM 0 HD13 ILE C 109 26.982 -10.378 -18.570 1.00 0.67 H new ATOM 5879 N GLN C 110 24.542 -14.693 -15.867 1.00 0.53 N ATOM 5880 CA GLN C 110 24.873 -16.071 -15.415 1.00 0.52 C ATOM 5881 C GLN C 110 23.603 -16.930 -15.360 1.00 0.48 C ATOM 5882 O GLN C 110 23.611 -18.087 -15.733 1.00 0.50 O ATOM 5883 CB GLN C 110 25.522 -15.972 -14.021 1.00 0.50 C ATOM 5884 CG GLN C 110 26.707 -16.935 -13.897 1.00 1.18 C ATOM 5885 CD GLN C 110 27.462 -16.635 -12.603 1.00 1.46 C ATOM 5886 OE1 GLN C 110 27.139 -15.696 -11.902 1.00 2.12 O ATOM 5887 NE2 GLN C 110 28.466 -17.392 -12.259 1.00 1.93 N ATOM 0 H GLN C 110 24.619 -13.974 -15.148 1.00 0.53 H new ATOM 0 HA GLN C 110 25.563 -16.544 -16.114 1.00 0.52 H new ATOM 0 HB2 GLN C 110 25.859 -14.951 -13.845 1.00 0.50 H new ATOM 0 HB3 GLN C 110 24.782 -16.200 -13.254 1.00 0.50 H new ATOM 0 HG2 GLN C 110 26.355 -17.967 -13.896 1.00 1.18 H new ATOM 0 HG3 GLN C 110 27.372 -16.826 -14.754 1.00 1.18 H new ATOM 0 HE21 GLN C 110 28.736 -18.180 -12.848 1.00 1.93 H new ATOM 0 HE22 GLN C 110 28.981 -17.197 -11.401 1.00 1.93 H new ATOM 5896 N GLN C 111 22.515 -16.379 -14.896 1.00 0.45 N ATOM 5897 CA GLN C 111 21.257 -17.174 -14.816 1.00 0.43 C ATOM 5898 C GLN C 111 20.878 -17.639 -16.221 1.00 0.49 C ATOM 5899 O GLN C 111 20.532 -18.782 -16.442 1.00 0.49 O ATOM 5900 CB GLN C 111 20.138 -16.295 -14.249 1.00 0.42 C ATOM 5901 CG GLN C 111 18.877 -17.134 -14.022 1.00 0.42 C ATOM 5902 CD GLN C 111 19.119 -18.118 -12.877 1.00 0.37 C ATOM 5903 OE1 GLN C 111 19.736 -17.776 -11.887 1.00 0.37 O ATOM 5904 NE2 GLN C 111 18.656 -19.334 -12.968 1.00 0.40 N ATOM 0 H GLN C 111 22.443 -15.415 -14.570 1.00 0.45 H new ATOM 0 HA GLN C 111 21.402 -18.038 -14.167 1.00 0.43 H new ATOM 0 HB2 GLN C 111 20.459 -15.844 -13.310 1.00 0.42 H new ATOM 0 HB3 GLN C 111 19.922 -15.478 -14.937 1.00 0.42 H new ATOM 0 HG2 GLN C 111 18.033 -16.485 -13.786 1.00 0.42 H new ATOM 0 HG3 GLN C 111 18.618 -17.675 -14.932 1.00 0.42 H new ATOM 0 HE21 GLN C 111 18.138 -19.622 -13.798 1.00 0.40 H new ATOM 0 HE22 GLN C 111 18.812 -19.997 -12.209 1.00 0.40 H new ATOM 5913 N GLU C 112 20.947 -16.751 -17.170 1.00 0.54 N ATOM 5914 CA GLU C 112 20.601 -17.118 -18.568 1.00 0.60 C ATOM 5915 C GLU C 112 21.585 -18.187 -19.056 1.00 0.62 C ATOM 5916 O GLU C 112 21.209 -19.160 -19.679 1.00 0.65 O ATOM 5917 CB GLU C 112 20.705 -15.848 -19.432 1.00 0.66 C ATOM 5918 CG GLU C 112 19.651 -15.851 -20.542 1.00 1.29 C ATOM 5919 CD GLU C 112 19.702 -14.512 -21.281 1.00 1.72 C ATOM 5920 OE1 GLU C 112 19.675 -13.490 -20.615 1.00 2.27 O ATOM 5921 OE2 GLU C 112 19.772 -14.531 -22.499 1.00 2.25 O ATOM 0 H GLU C 112 21.230 -15.780 -17.036 1.00 0.54 H new ATOM 0 HA GLU C 112 19.590 -17.520 -18.634 1.00 0.60 H new ATOM 0 HB2 GLU C 112 20.575 -14.966 -18.805 1.00 0.66 H new ATOM 0 HB3 GLU C 112 21.700 -15.783 -19.871 1.00 0.66 H new ATOM 0 HG2 GLU C 112 19.837 -16.671 -21.236 1.00 1.29 H new ATOM 0 HG3 GLU C 112 18.659 -16.010 -20.119 1.00 1.29 H new ATOM 5928 N LYS C 113 22.846 -18.002 -18.772 1.00 0.62 N ATOM 5929 CA LYS C 113 23.873 -18.990 -19.208 1.00 0.65 C ATOM 5930 C LYS C 113 23.594 -20.355 -18.575 1.00 0.60 C ATOM 5931 O LYS C 113 23.685 -21.378 -19.224 1.00 0.63 O ATOM 5932 CB LYS C 113 25.257 -18.514 -18.753 1.00 0.68 C ATOM 5933 CG LYS C 113 25.714 -17.262 -19.550 1.00 0.75 C ATOM 5934 CD LYS C 113 26.945 -17.574 -20.434 1.00 1.27 C ATOM 5935 CE LYS C 113 27.758 -16.301 -20.751 1.00 1.53 C ATOM 5936 NZ LYS C 113 27.394 -15.796 -22.104 1.00 2.10 N ATOM 0 H LYS C 113 23.211 -17.203 -18.253 1.00 0.62 H new ATOM 0 HA LYS C 113 23.839 -19.078 -20.294 1.00 0.65 H new ATOM 0 HB2 LYS C 113 25.232 -18.281 -17.689 1.00 0.68 H new ATOM 0 HB3 LYS C 113 25.982 -19.317 -18.886 1.00 0.68 H new ATOM 0 HG2 LYS C 113 24.895 -16.908 -20.176 1.00 0.75 H new ATOM 0 HG3 LYS C 113 25.956 -16.456 -18.857 1.00 0.75 H new ATOM 0 HD2 LYS C 113 27.584 -18.297 -19.926 1.00 1.27 H new ATOM 0 HD3 LYS C 113 26.617 -18.037 -21.364 1.00 1.27 H new ATOM 0 HE2 LYS C 113 27.560 -15.535 -20.001 1.00 1.53 H new ATOM 0 HE3 LYS C 113 28.825 -16.520 -20.709 1.00 1.53 H new ATOM 0 HZ1 LYS C 113 27.944 -14.938 -22.314 1.00 2.10 H new ATOM 0 HZ2 LYS C 113 27.605 -16.525 -22.815 1.00 2.10 H new ATOM 0 HZ3 LYS C 113 26.379 -15.571 -22.129 1.00 2.10 H new ATOM 5950 N ASN C 114 23.271 -20.387 -17.310 1.00 0.53 N ATOM 5951 CA ASN C 114 23.008 -21.697 -16.651 1.00 0.49 C ATOM 5952 C ASN C 114 21.844 -22.378 -17.363 1.00 0.49 C ATOM 5953 O ASN C 114 21.867 -23.561 -17.635 1.00 0.51 O ATOM 5954 CB ASN C 114 22.611 -21.475 -15.188 1.00 0.44 C ATOM 5955 CG ASN C 114 23.810 -20.988 -14.371 1.00 0.46 C ATOM 5956 OD1 ASN C 114 24.988 -20.918 -14.926 1.00 1.19 O flip ATOM 5957 ND2 ASN C 114 23.670 -20.663 -13.209 1.00 1.18 N flip ATOM 0 H ASN C 114 23.179 -19.568 -16.709 1.00 0.53 H new ATOM 0 HA ASN C 114 23.907 -22.311 -16.700 1.00 0.49 H new ATOM 0 HB2 ASN C 114 21.805 -20.744 -15.132 1.00 0.44 H new ATOM 0 HB3 ASN C 114 22.229 -22.404 -14.765 1.00 0.44 H new ATOM 0 HD21 ASN C 114 22.750 -20.716 -12.772 1.00 1.18 H new ATOM 0 HD22 ASN C 114 24.472 -20.337 -12.671 1.00 1.18 H new ATOM 5964 N MET C 115 20.828 -21.625 -17.671 1.00 0.50 N ATOM 5965 CA MET C 115 19.651 -22.202 -18.368 1.00 0.54 C ATOM 5966 C MET C 115 20.038 -22.570 -19.801 1.00 0.61 C ATOM 5967 O MET C 115 19.665 -23.607 -20.313 1.00 0.63 O ATOM 5968 CB MET C 115 18.544 -21.149 -18.381 1.00 0.57 C ATOM 5969 CG MET C 115 17.252 -21.755 -18.922 1.00 0.72 C ATOM 5970 SD MET C 115 15.961 -20.486 -18.920 1.00 0.94 S ATOM 5971 CE MET C 115 14.718 -21.395 -19.871 1.00 1.46 C ATOM 0 H MET C 115 20.763 -20.628 -17.468 1.00 0.50 H new ATOM 0 HA MET C 115 19.306 -23.101 -17.857 1.00 0.54 H new ATOM 0 HB2 MET C 115 18.382 -20.768 -17.373 1.00 0.57 H new ATOM 0 HB3 MET C 115 18.844 -20.302 -18.998 1.00 0.57 H new ATOM 0 HG2 MET C 115 17.407 -22.133 -19.933 1.00 0.72 H new ATOM 0 HG3 MET C 115 16.948 -22.603 -18.308 1.00 0.72 H new ATOM 0 HE1 MET C 115 13.826 -20.779 -19.986 1.00 1.46 H new ATOM 0 HE2 MET C 115 15.120 -21.640 -20.854 1.00 1.46 H new ATOM 0 HE3 MET C 115 14.459 -22.314 -19.346 1.00 1.46 H new ATOM 5981 N TYR C 116 20.786 -21.724 -20.449 1.00 0.65 N ATOM 5982 CA TYR C 116 21.209 -22.011 -21.848 1.00 0.73 C ATOM 5983 C TYR C 116 22.023 -23.307 -21.878 1.00 0.72 C ATOM 5984 O TYR C 116 21.816 -24.161 -22.716 1.00 0.76 O ATOM 5985 CB TYR C 116 22.049 -20.838 -22.357 1.00 0.78 C ATOM 5986 CG TYR C 116 22.500 -21.101 -23.771 1.00 0.87 C ATOM 5987 CD1 TYR C 116 21.659 -20.786 -24.853 1.00 0.95 C ATOM 5988 CD2 TYR C 116 23.772 -21.648 -24.005 1.00 0.91 C ATOM 5989 CE1 TYR C 116 22.091 -21.022 -26.170 1.00 1.05 C ATOM 5990 CE2 TYR C 116 24.204 -21.883 -25.319 1.00 1.01 C ATOM 5991 CZ TYR C 116 23.364 -21.571 -26.403 1.00 1.07 C ATOM 5992 OH TYR C 116 23.789 -21.807 -27.695 1.00 1.18 O ATOM 0 H TYR C 116 21.125 -20.841 -20.068 1.00 0.65 H new ATOM 0 HA TYR C 116 20.337 -22.134 -22.490 1.00 0.73 H new ATOM 0 HB2 TYR C 116 21.465 -19.918 -22.318 1.00 0.78 H new ATOM 0 HB3 TYR C 116 22.915 -20.693 -21.711 1.00 0.78 H new ATOM 0 HD1 TYR C 116 20.682 -20.363 -24.673 1.00 0.95 H new ATOM 0 HD2 TYR C 116 24.418 -21.888 -23.173 1.00 0.91 H new ATOM 0 HE1 TYR C 116 21.445 -20.782 -27.002 1.00 1.05 H new ATOM 0 HE2 TYR C 116 25.182 -22.304 -25.498 1.00 1.01 H new ATOM 0 HH TYR C 116 24.757 -21.959 -27.698 1.00 1.18 H new ATOM 6002 N GLU C 117 22.936 -23.473 -20.958 1.00 0.68 N ATOM 6003 CA GLU C 117 23.745 -24.725 -20.932 1.00 0.68 C ATOM 6004 C GLU C 117 22.820 -25.919 -20.670 1.00 0.65 C ATOM 6005 O GLU C 117 22.977 -26.981 -21.237 1.00 0.69 O ATOM 6006 CB GLU C 117 24.795 -24.630 -19.822 1.00 0.66 C ATOM 6007 CG GLU C 117 25.856 -23.599 -20.213 1.00 0.73 C ATOM 6008 CD GLU C 117 26.895 -23.484 -19.095 1.00 0.73 C ATOM 6009 OE1 GLU C 117 26.848 -24.294 -18.185 1.00 1.29 O ATOM 6010 OE2 GLU C 117 27.720 -22.589 -19.170 1.00 1.28 O ATOM 0 H GLU C 117 23.156 -22.798 -20.226 1.00 0.68 H new ATOM 0 HA GLU C 117 24.247 -24.859 -21.890 1.00 0.68 H new ATOM 0 HB2 GLU C 117 24.322 -24.343 -18.883 1.00 0.66 H new ATOM 0 HB3 GLU C 117 25.259 -25.603 -19.661 1.00 0.66 H new ATOM 0 HG2 GLU C 117 26.340 -23.895 -21.144 1.00 0.73 H new ATOM 0 HG3 GLU C 117 25.389 -22.630 -20.390 1.00 0.73 H new ATOM 6017 N LEU C 118 21.864 -25.755 -19.799 1.00 0.58 N ATOM 6018 CA LEU C 118 20.933 -26.876 -19.487 1.00 0.56 C ATOM 6019 C LEU C 118 20.199 -27.297 -20.765 1.00 0.65 C ATOM 6020 O LEU C 118 20.011 -28.469 -21.025 1.00 0.67 O ATOM 6021 CB LEU C 118 19.931 -26.403 -18.429 1.00 0.51 C ATOM 6022 CG LEU C 118 18.944 -27.524 -18.060 1.00 0.52 C ATOM 6023 CD1 LEU C 118 19.702 -28.707 -17.405 1.00 0.54 C ATOM 6024 CD2 LEU C 118 17.879 -26.943 -17.105 1.00 0.53 C ATOM 0 H LEU C 118 21.686 -24.890 -19.288 1.00 0.58 H new ATOM 0 HA LEU C 118 21.487 -27.733 -19.103 1.00 0.56 H new ATOM 0 HB2 LEU C 118 20.466 -26.077 -17.537 1.00 0.51 H new ATOM 0 HB3 LEU C 118 19.382 -25.540 -18.804 1.00 0.51 H new ATOM 0 HG LEU C 118 18.452 -27.906 -18.955 1.00 0.52 H new ATOM 0 HD11 LEU C 118 18.994 -29.495 -17.148 1.00 0.54 H new ATOM 0 HD12 LEU C 118 20.441 -29.097 -18.105 1.00 0.54 H new ATOM 0 HD13 LEU C 118 20.205 -28.362 -16.502 1.00 0.54 H new ATOM 0 HD21 LEU C 118 17.170 -27.724 -16.832 1.00 0.53 H new ATOM 0 HD22 LEU C 118 18.365 -26.564 -16.206 1.00 0.53 H new ATOM 0 HD23 LEU C 118 17.350 -26.130 -17.602 1.00 0.53 H new ATOM 6036 N GLN C 119 19.786 -26.352 -21.566 1.00 0.71 N ATOM 6037 CA GLN C 119 19.070 -26.701 -22.826 1.00 0.82 C ATOM 6038 C GLN C 119 19.984 -27.557 -23.706 1.00 0.87 C ATOM 6039 O GLN C 119 19.551 -28.497 -24.344 1.00 0.92 O ATOM 6040 CB GLN C 119 18.710 -25.422 -23.584 1.00 0.88 C ATOM 6041 CG GLN C 119 17.619 -24.661 -22.829 1.00 0.87 C ATOM 6042 CD GLN C 119 17.378 -23.315 -23.516 1.00 0.95 C ATOM 6043 OE1 GLN C 119 18.285 -22.740 -24.085 1.00 1.29 O ATOM 6044 NE2 GLN C 119 16.186 -22.786 -23.491 1.00 1.46 N ATOM 0 H GLN C 119 19.914 -25.353 -21.402 1.00 0.71 H new ATOM 0 HA GLN C 119 18.162 -27.252 -22.583 1.00 0.82 H new ATOM 0 HB2 GLN C 119 19.594 -24.794 -23.695 1.00 0.88 H new ATOM 0 HB3 GLN C 119 18.365 -25.668 -24.588 1.00 0.88 H new ATOM 0 HG2 GLN C 119 16.698 -25.244 -22.811 1.00 0.87 H new ATOM 0 HG3 GLN C 119 17.918 -24.506 -21.792 1.00 0.87 H new ATOM 0 HE21 GLN C 119 15.424 -23.268 -23.014 1.00 1.46 H new ATOM 0 HE22 GLN C 119 16.016 -21.891 -23.949 1.00 1.46 H new ATOM 6053 N LYS C 120 21.246 -27.224 -23.752 1.00 0.86 N ATOM 6054 CA LYS C 120 22.197 -28.000 -24.599 1.00 0.93 C ATOM 6055 C LYS C 120 22.233 -29.455 -24.152 1.00 0.91 C ATOM 6056 O LYS C 120 22.277 -30.360 -24.961 1.00 0.99 O ATOM 6057 CB LYS C 120 23.600 -27.418 -24.421 1.00 0.95 C ATOM 6058 CG LYS C 120 23.696 -26.032 -25.068 1.00 1.02 C ATOM 6059 CD LYS C 120 23.940 -26.148 -26.585 1.00 1.58 C ATOM 6060 CE LYS C 120 24.660 -24.890 -27.072 1.00 1.89 C ATOM 6061 NZ LYS C 120 24.688 -24.855 -28.559 1.00 2.45 N ATOM 0 H LYS C 120 21.660 -26.446 -23.238 1.00 0.86 H new ATOM 0 HA LYS C 120 21.875 -27.942 -25.639 1.00 0.93 H new ATOM 0 HB2 LYS C 120 23.838 -27.347 -23.360 1.00 0.95 H new ATOM 0 HB3 LYS C 120 24.336 -28.086 -24.869 1.00 0.95 H new ATOM 0 HG2 LYS C 120 22.776 -25.477 -24.885 1.00 1.02 H new ATOM 0 HG3 LYS C 120 24.506 -25.467 -24.608 1.00 1.02 H new ATOM 0 HD2 LYS C 120 24.538 -27.032 -26.803 1.00 1.58 H new ATOM 0 HD3 LYS C 120 22.992 -26.267 -27.111 1.00 1.58 H new ATOM 0 HE2 LYS C 120 24.155 -24.003 -26.690 1.00 1.89 H new ATOM 0 HE3 LYS C 120 25.678 -24.871 -26.682 1.00 1.89 H new ATOM 0 HZ1 LYS C 120 25.180 -23.996 -28.877 1.00 2.45 H new ATOM 0 HZ2 LYS C 120 25.189 -25.693 -28.917 1.00 2.45 H new ATOM 0 HZ3 LYS C 120 23.714 -24.852 -28.925 1.00 2.45 H new ATOM 6075 N LEU C 121 22.207 -29.696 -22.875 1.00 0.80 N ATOM 6076 CA LEU C 121 22.235 -31.106 -22.420 1.00 0.79 C ATOM 6077 C LEU C 121 20.995 -31.799 -22.994 1.00 0.87 C ATOM 6078 O LEU C 121 21.089 -32.864 -23.570 1.00 0.96 O ATOM 6079 CB LEU C 121 22.251 -31.181 -20.891 1.00 0.68 C ATOM 6080 CG LEU C 121 23.456 -30.411 -20.311 1.00 0.67 C ATOM 6081 CD1 LEU C 121 23.294 -30.237 -18.788 1.00 0.62 C ATOM 6082 CD2 LEU C 121 24.761 -31.180 -20.573 1.00 0.77 C ATOM 0 H LEU C 121 22.168 -28.991 -22.139 1.00 0.80 H new ATOM 0 HA LEU C 121 23.139 -31.604 -22.771 1.00 0.79 H new ATOM 0 HB2 LEU C 121 21.325 -30.766 -20.494 1.00 0.68 H new ATOM 0 HB3 LEU C 121 22.295 -32.223 -20.575 1.00 0.68 H new ATOM 0 HG LEU C 121 23.497 -29.436 -20.797 1.00 0.67 H new ATOM 0 HD11 LEU C 121 24.151 -29.692 -18.391 1.00 0.62 H new ATOM 0 HD12 LEU C 121 22.381 -29.679 -18.581 1.00 0.62 H new ATOM 0 HD13 LEU C 121 23.236 -31.217 -18.314 1.00 0.62 H new ATOM 0 HD21 LEU C 121 25.601 -30.623 -20.158 1.00 0.77 H new ATOM 0 HD22 LEU C 121 24.707 -32.161 -20.101 1.00 0.77 H new ATOM 0 HD23 LEU C 121 24.902 -31.302 -21.647 1.00 0.77 H new ATOM 6094 N ASN C 122 19.839 -31.186 -22.869 1.00 0.88 N ATOM 6095 CA ASN C 122 18.587 -31.785 -23.439 1.00 1.03 C ATOM 6096 C ASN C 122 17.952 -30.808 -24.432 1.00 1.08 C ATOM 6097 O ASN C 122 16.834 -30.372 -24.245 1.00 1.15 O ATOM 6098 CB ASN C 122 17.564 -32.058 -22.332 1.00 1.11 C ATOM 6099 CG ASN C 122 16.388 -32.843 -22.922 1.00 1.31 C ATOM 6100 OD1 ASN C 122 16.135 -34.048 -22.492 1.00 1.78 O flip ATOM 6101 ND2 ASN C 122 15.691 -32.356 -23.790 1.00 1.70 N flip ATOM 0 H ASN C 122 19.709 -30.293 -22.394 1.00 0.88 H new ATOM 0 HA ASN C 122 18.857 -32.719 -23.932 1.00 1.03 H new ATOM 0 HB2 ASN C 122 18.026 -32.624 -21.523 1.00 1.11 H new ATOM 0 HB3 ASN C 122 17.213 -31.119 -21.904 1.00 1.11 H new ATOM 0 HD21 ASN C 122 15.884 -31.414 -24.130 1.00 1.70 H new ATOM 0 HD22 ASN C 122 14.913 -32.889 -24.178 1.00 1.70 H new ATOM 6108 N SER C 123 18.636 -30.460 -25.491 1.00 1.09 N ATOM 6109 CA SER C 123 18.038 -29.520 -26.488 1.00 1.18 C ATOM 6110 C SER C 123 17.367 -30.336 -27.598 1.00 1.37 C ATOM 6111 O SER C 123 17.965 -31.304 -28.037 1.00 1.92 O ATOM 6112 CB SER C 123 19.145 -28.635 -27.080 1.00 1.16 C ATOM 6113 OG SER C 123 19.233 -28.834 -28.485 1.00 1.84 O ATOM 6114 OXT SER C 123 16.268 -29.979 -27.987 1.00 1.66 O ATOM 0 H SER C 123 19.578 -30.784 -25.709 1.00 1.09 H new ATOM 0 HA SER C 123 17.295 -28.884 -26.006 1.00 1.18 H new ATOM 0 HB2 SER C 123 18.936 -27.587 -26.866 1.00 1.16 H new ATOM 0 HB3 SER C 123 20.100 -28.872 -26.611 1.00 1.16 H new ATOM 0 HG SER C 123 19.941 -28.264 -28.852 1.00 1.84 H new TER 6120 SER C 123 END