USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 782 hydrogens (0 hets) HEADER PROTEIN BINDING 08-SEP-00 1GD3 TITLE REFINED SOLUTION STRUCTURE OF HUMAN CYSTATIN A COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYSTATIN A; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS CYSTATIN A, THIOL PROTEASE INHIBITOR, PROTEIN BINDING EXPDTA SOLUTION NMR AUTHOR N.SHIMBA,E.KARIYA,S.TATE,H.KAJI,M.KAINOSHO REVDAT 3 24-FEB-09 1GD3 1 VERSN REVDAT 2 03-JUN-03 1GD3 1 JRNL REVDAT 1 08-SEP-01 1GD3 0 JRNL AUTH N.SHIMBA,E.KARIYA,S.TATE,H.KAJI,M.KAINOSHO JRNL TITL STRUCTURAL COMPARISON BETWEEN WILD-TYPE AND P25S JRNL TITL 2 HUMAN CYSTATIN A BY NMR SPECTROSCOPY. DOES THIS JRNL TITL 3 MUTATION AFFECT THE A-HELIX CONFORMATION ? JRNL REF J.STRUCT.FUNCT.GENOM. V. 1 26 2000 JRNL REFN ISSN 1345-711X JRNL PMID 12836678 JRNL DOI 10.1023/A:1011380315619 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.85 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1GD3 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 25-SEP-00. REMARK 100 THE RCSB ID CODE IS RCSB005045. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 310 REMARK 210 PH : 4.0 REMARK 210 IONIC STRENGTH : 0 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.4MM CYSTATIN A U-15N,13C; REMARK 210 10MM ACETATE BUFFER NA; 95% REMARK 210 H2O, 5% D2O; 1.4MM CYSTATIN A REMARK 210 U-15N; 10MM ACETATE BUFFER NA; REMARK 210 95% H2O, 5% D2O; 1.4MM REMARK 210 CYSTATIN A; 10MM ACETATE REMARK 210 BUFFER NA; 98% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY, 3D_ REMARK 210 15N-SEPARATED_NOESY, 2D NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY. 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 SER A 7 -156.64 -78.69 REMARK 500 GLU A 8 -137.21 -74.44 REMARK 500 ALA A 9 117.26 -166.58 REMARK 500 LYS A 37 81.67 63.56 REMARK 500 TYR A 43 -173.32 -177.43 REMARK 500 LYS A 44 -151.68 -161.21 REMARK 500 GLN A 46 -149.79 -107.95 REMARK 500 VAL A 47 109.54 -164.66 REMARK 500 VAL A 48 -130.51 -143.46 REMARK 500 ALA A 49 39.64 -84.43 REMARK 500 ALA A 59 62.47 -154.81 REMARK 500 ASN A 62 -34.12 -161.25 REMARK 500 HIS A 66 110.27 -160.83 REMARK 500 VAL A 69 76.88 -160.07 REMARK 500 SER A 72 -128.52 -58.28 REMARK 500 GLN A 76 -83.36 -138.21 REMARK 500 GLU A 78 -40.97 -23.80 REMARK 500 ASP A 79 168.98 -41.98 REMARK 500 VAL A 87 -126.95 -112.86 REMARK 500 ASP A 88 51.89 -67.42 REMARK 500 LYS A 89 -159.30 -64.68 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 58 0.28 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1CYU RELATED DB: PDB REMARK 900 1CYU CONTAINS CYSTATIN A (M65L) AND 15 STRUCTURES. REMARK 900 RELATED ID: 1CYV RELATED DB: PDB REMARK 900 1CYV CONTAINS CYSTATIN A (M65L) AND MINIMIZED AVERAGE REMARK 900 STRUCTURE. REMARK 900 RELATED ID: 1GD4 RELATED DB: PDB REMARK 900 1GD4 CONTAINS CYSTATIN A (P25S). DBREF 1GD3 A 1 98 UNP P01040 CYTA_HUMAN 1 98 SEQADV 1GD3 LEU A 65 UNP P01040 MET 65 ENGINEERED SEQRES 1 A 98 MET ILE PRO GLY GLY LEU SER GLU ALA LYS PRO ALA THR SEQRES 2 A 98 PRO GLU ILE GLN GLU ILE VAL ASP LYS VAL LYS PRO GLN SEQRES 3 A 98 LEU GLU GLU LYS THR ASN GLU THR TYR GLY LYS LEU GLU SEQRES 4 A 98 ALA VAL GLN TYR LYS THR GLN VAL VAL ALA GLY THR ASN SEQRES 5 A 98 TYR TYR ILE LYS VAL ARG ALA GLY ASP ASN LYS TYR LEU SEQRES 6 A 98 HIS LEU LYS VAL PHE LYS SER LEU PRO GLY GLN ASN GLU SEQRES 7 A 98 ASP LEU VAL LEU THR GLY TYR GLN VAL ASP LYS ASN LYS SEQRES 8 A 98 ASP ASP GLU LEU THR GLY PHE HELIX 1 1 THR A 13 THR A 31 1 19 SHEET 1 A 4 LYS A 10 PRO A 11 0 SHEET 2 A 4 ALA A 40 THR A 45 -1 N TYR A 43 O LYS A 10 SHEET 3 A 4 TYR A 53 ARG A 58 -1 O TYR A 54 N LYS A 44 SHEET 4 A 4 TYR A 64 LYS A 68 -1 N LEU A 65 O VAL A 57 SHEET 1 B 2 PHE A 70 LYS A 71 0 SHEET 2 B 2 LEU A 80 VAL A 81 -1 O VAL A 81 N PHE A 70 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: A 31 THR OG1 : rot -175:sc= 1.18 USER MOD Set 1.2: A 85 TYR OH : rot 0:sc= 1.14 USER MOD Set 2.1: A 72 SER OG : rot -114:sc= -3.17! USER MOD Set 2.2: A 77 ASN : amide:sc= -7.4! C(o=-11!,f=-22!) USER MOD Set 3.1: A 54 TYR OH : rot 133:sc= -0.304! USER MOD Set 3.2: A 86 GLN :FLIP amide:sc= -2.37 F(o=-5.6!,f=-2.7) USER MOD Set 4.1: A 42 GLN : amide:sc= -0.0372 X(o=-0.037,f=0) USER MOD Set 4.2: A 56 LYS NZ :NH3+ 176:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= -0.148 (180deg=-1.47!) USER MOD Single : A 7 SER OG : rot -138:sc= 1.1 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 17 GLN : amide:sc= -3.45 K(o=-3.4,f=-10!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0605 X(o=-0.061,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN :FLIP amide:sc= -5.38! C(o=-6.5!,f=-5.4!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 49:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.269) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN :FLIP amide:sc= -1.43 F(o=-3.9!,f=-1.4) USER MOD Single : A 51 THR OG1 : rot -1:sc= 1.02 USER MOD Single : A 52 ASN : amide:sc= -5.26! C(o=-5.3!,f=-12!) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.579 USER MOD Single : A 62 ASN : amide:sc= -0.67 X(o=-0.67,f=-0.61) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HE2:sc= -8.75! C(o=-8.7!,f=-8.6!) USER MOD Single : A 68 LYS NZ :NH3+ 177:sc= -0.0321 (180deg=-0.0702) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot -66:sc= -1.73! USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 0.59 K(o=0.59,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.73 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 57.857 -7.638 -16.992 1.00 8.16 N ATOM 2 CA MET A 1 57.595 -7.868 -15.539 1.00 7.64 C ATOM 3 C MET A 1 58.711 -7.252 -14.689 1.00 6.73 C ATOM 4 O MET A 1 59.462 -6.414 -15.144 1.00 6.72 O ATOM 5 CB MET A 1 57.571 -9.388 -15.371 1.00 8.13 C ATOM 6 CG MET A 1 58.893 -9.978 -15.862 1.00 8.89 C ATOM 7 SD MET A 1 58.884 -11.770 -15.603 1.00 9.55 S ATOM 8 CE MET A 1 60.599 -11.937 -15.045 1.00 10.19 C ATOM 0 H1 MET A 1 57.558 -8.473 -17.535 1.00 8.16 H new ATOM 0 H2 MET A 1 57.322 -6.806 -17.314 1.00 8.16 H new ATOM 0 H3 MET A 1 58.873 -7.475 -17.140 1.00 8.16 H new ATOM 0 HA MET A 1 56.661 -7.408 -15.215 1.00 7.64 H new ATOM 0 HB2 MET A 1 57.412 -9.646 -14.324 1.00 8.13 H new ATOM 0 HB3 MET A 1 56.740 -9.813 -15.934 1.00 8.13 H new ATOM 0 HG2 MET A 1 59.034 -9.753 -16.919 1.00 8.89 H new ATOM 0 HG3 MET A 1 59.727 -9.526 -15.326 1.00 8.89 H new ATOM 0 HE1 MET A 1 60.810 -12.984 -14.826 1.00 10.19 H new ATOM 0 HE2 MET A 1 61.272 -11.587 -15.828 1.00 10.19 H new ATOM 0 HE3 MET A 1 60.748 -11.341 -14.145 1.00 10.19 H new ATOM 20 N ILE A 2 58.819 -7.661 -13.452 1.00 6.27 N ATOM 21 CA ILE A 2 59.880 -7.099 -12.567 1.00 5.66 C ATOM 22 C ILE A 2 61.229 -7.753 -12.875 1.00 4.71 C ATOM 23 O ILE A 2 61.283 -8.857 -13.378 1.00 4.54 O ATOM 24 CB ILE A 2 59.435 -7.445 -11.147 1.00 6.20 C ATOM 25 CG1 ILE A 2 59.520 -8.961 -10.947 1.00 6.83 C ATOM 26 CG2 ILE A 2 57.993 -6.980 -10.935 1.00 6.44 C ATOM 27 CD1 ILE A 2 59.021 -9.328 -9.548 1.00 7.54 C ATOM 0 H ILE A 2 58.218 -8.360 -13.017 1.00 6.27 H new ATOM 0 HA ILE A 2 60.006 -6.025 -12.707 1.00 5.66 H new ATOM 0 HB ILE A 2 60.084 -6.945 -10.428 1.00 6.20 H new ATOM 0 HG12 ILE A 2 58.921 -9.471 -11.702 1.00 6.83 H new ATOM 0 HG13 ILE A 2 60.549 -9.297 -11.076 1.00 6.83 H new ATOM 0 HG21 ILE A 2 57.676 -7.227 -9.922 1.00 6.44 H new ATOM 0 HG22 ILE A 2 57.933 -5.901 -11.081 1.00 6.44 H new ATOM 0 HG23 ILE A 2 57.341 -7.480 -11.651 1.00 6.44 H new ATOM 0 HD11 ILE A 2 59.084 -10.408 -9.411 1.00 7.54 H new ATOM 0 HD12 ILE A 2 59.638 -8.831 -8.800 1.00 7.54 H new ATOM 0 HD13 ILE A 2 57.985 -9.007 -9.435 1.00 7.54 H new ATOM 39 N PRO A 3 62.279 -7.042 -12.558 1.00 4.54 N ATOM 40 CA PRO A 3 63.649 -7.556 -12.801 1.00 4.06 C ATOM 41 C PRO A 3 63.997 -8.651 -11.791 1.00 3.60 C ATOM 42 O PRO A 3 63.193 -9.022 -10.957 1.00 4.11 O ATOM 43 CB PRO A 3 64.534 -6.328 -12.596 1.00 4.76 C ATOM 44 CG PRO A 3 63.751 -5.432 -11.691 1.00 5.32 C ATOM 45 CD PRO A 3 62.290 -5.707 -11.948 1.00 5.27 C ATOM 0 HA PRO A 3 63.769 -8.004 -13.788 1.00 4.06 H new ATOM 0 HB2 PRO A 3 65.490 -6.601 -12.150 1.00 4.76 H new ATOM 0 HB3 PRO A 3 64.753 -5.837 -13.544 1.00 4.76 H new ATOM 0 HG2 PRO A 3 64.001 -5.625 -10.648 1.00 5.32 H new ATOM 0 HG3 PRO A 3 63.986 -4.386 -11.887 1.00 5.32 H new ATOM 0 HD2 PRO A 3 61.712 -5.686 -11.024 1.00 5.27 H new ATOM 0 HD3 PRO A 3 61.855 -4.961 -12.613 1.00 5.27 H new ATOM 53 N GLY A 4 65.191 -9.171 -11.858 1.00 3.17 N ATOM 54 CA GLY A 4 65.594 -10.240 -10.904 1.00 3.35 C ATOM 55 C GLY A 4 67.040 -10.005 -10.468 1.00 2.86 C ATOM 56 O GLY A 4 67.947 -10.688 -10.898 1.00 3.30 O ATOM 0 H GLY A 4 65.906 -8.901 -12.534 1.00 3.17 H new ATOM 0 HA2 GLY A 4 64.935 -10.237 -10.036 1.00 3.35 H new ATOM 0 HA3 GLY A 4 65.498 -11.219 -11.374 1.00 3.35 H new ATOM 60 N GLY A 5 67.260 -9.040 -9.620 1.00 2.38 N ATOM 61 CA GLY A 5 68.646 -8.753 -9.158 1.00 2.02 C ATOM 62 C GLY A 5 68.706 -7.330 -8.604 1.00 1.40 C ATOM 63 O GLY A 5 67.693 -6.719 -8.333 1.00 1.47 O ATOM 0 H GLY A 5 66.538 -8.436 -9.226 1.00 2.38 H new ATOM 0 HA2 GLY A 5 68.942 -9.468 -8.390 1.00 2.02 H new ATOM 0 HA3 GLY A 5 69.348 -8.864 -9.984 1.00 2.02 H new ATOM 67 N LEU A 6 69.882 -6.793 -8.436 1.00 1.08 N ATOM 68 CA LEU A 6 69.990 -5.407 -7.901 1.00 0.84 C ATOM 69 C LEU A 6 69.706 -4.392 -9.008 1.00 0.91 C ATOM 70 O LEU A 6 69.369 -4.747 -10.120 1.00 1.20 O ATOM 71 CB LEU A 6 71.430 -5.278 -7.409 1.00 1.01 C ATOM 72 CG LEU A 6 71.555 -5.945 -6.039 1.00 0.96 C ATOM 73 CD1 LEU A 6 73.028 -6.217 -5.732 1.00 1.43 C ATOM 74 CD2 LEU A 6 70.975 -5.017 -4.969 1.00 1.25 C ATOM 0 H LEU A 6 70.769 -7.251 -8.645 1.00 1.08 H new ATOM 0 HA LEU A 6 69.272 -5.216 -7.103 1.00 0.84 H new ATOM 0 HB2 LEU A 6 72.113 -5.746 -8.118 1.00 1.01 H new ATOM 0 HB3 LEU A 6 71.711 -4.227 -7.342 1.00 1.01 H new ATOM 0 HG LEU A 6 71.007 -6.887 -6.043 1.00 0.96 H new ATOM 0 HD11 LEU A 6 73.114 -6.692 -4.755 1.00 1.43 H new ATOM 0 HD12 LEU A 6 73.443 -6.876 -6.494 1.00 1.43 H new ATOM 0 HD13 LEU A 6 73.578 -5.276 -5.728 1.00 1.43 H new ATOM 0 HD21 LEU A 6 71.063 -5.490 -3.991 1.00 1.25 H new ATOM 0 HD22 LEU A 6 71.524 -4.075 -4.967 1.00 1.25 H new ATOM 0 HD23 LEU A 6 69.924 -4.824 -5.186 1.00 1.25 H new ATOM 86 N SER A 7 69.835 -3.131 -8.709 1.00 0.87 N ATOM 87 CA SER A 7 69.576 -2.084 -9.711 1.00 1.08 C ATOM 88 C SER A 7 70.761 -1.935 -10.667 1.00 1.06 C ATOM 89 O SER A 7 71.547 -2.842 -10.850 1.00 1.06 O ATOM 90 CB SER A 7 69.407 -0.832 -8.862 1.00 1.15 C ATOM 91 OG SER A 7 69.958 -1.050 -7.567 1.00 1.29 O ATOM 0 H SER A 7 70.115 -2.784 -7.792 1.00 0.87 H new ATOM 0 HA SER A 7 68.713 -2.299 -10.342 1.00 1.08 H new ATOM 0 HB2 SER A 7 69.902 0.013 -9.341 1.00 1.15 H new ATOM 0 HB3 SER A 7 68.350 -0.577 -8.780 1.00 1.15 H new ATOM 0 HG SER A 7 69.365 -0.662 -6.890 1.00 1.29 H new ATOM 97 N GLU A 8 70.886 -0.790 -11.277 1.00 1.11 N ATOM 98 CA GLU A 8 72.015 -0.561 -12.226 1.00 1.11 C ATOM 99 C GLU A 8 73.324 -0.367 -11.470 1.00 0.91 C ATOM 100 O GLU A 8 73.626 -1.062 -10.523 1.00 0.81 O ATOM 101 CB GLU A 8 71.651 0.720 -12.970 1.00 1.25 C ATOM 102 CG GLU A 8 72.201 0.662 -14.397 1.00 1.41 C ATOM 103 CD GLU A 8 72.588 2.069 -14.853 1.00 1.94 C ATOM 104 OE1 GLU A 8 72.114 3.017 -14.248 1.00 2.40 O ATOM 105 OE2 GLU A 8 73.351 2.176 -15.799 1.00 2.55 O ATOM 0 H GLU A 8 70.253 0.001 -11.160 1.00 1.11 H new ATOM 0 HA GLU A 8 72.157 -1.408 -12.897 1.00 1.11 H new ATOM 0 HB2 GLU A 8 70.568 0.844 -12.992 1.00 1.25 H new ATOM 0 HB3 GLU A 8 72.060 1.584 -12.447 1.00 1.25 H new ATOM 0 HG2 GLU A 8 73.069 0.004 -14.437 1.00 1.41 H new ATOM 0 HG3 GLU A 8 71.452 0.243 -15.070 1.00 1.41 H new ATOM 112 N ALA A 9 74.095 0.582 -11.896 1.00 0.89 N ATOM 113 CA ALA A 9 75.399 0.862 -11.228 1.00 0.73 C ATOM 114 C ALA A 9 75.944 2.215 -11.700 1.00 0.71 C ATOM 115 O ALA A 9 76.222 2.410 -12.866 1.00 0.81 O ATOM 116 CB ALA A 9 76.325 -0.272 -11.667 1.00 0.79 C ATOM 0 H ALA A 9 73.881 1.187 -12.688 1.00 0.89 H new ATOM 0 HA ALA A 9 75.308 0.911 -10.143 1.00 0.73 H new ATOM 0 HB1 ALA A 9 77.307 -0.135 -11.215 1.00 0.79 H new ATOM 0 HB2 ALA A 9 75.908 -1.227 -11.347 1.00 0.79 H new ATOM 0 HB3 ALA A 9 76.421 -0.264 -12.753 1.00 0.79 H new ATOM 122 N LYS A 10 76.088 3.154 -10.803 1.00 0.63 N ATOM 123 CA LYS A 10 76.603 4.495 -11.197 1.00 0.64 C ATOM 124 C LYS A 10 77.882 4.821 -10.422 1.00 0.57 C ATOM 125 O LYS A 10 78.220 4.142 -9.474 1.00 0.51 O ATOM 126 CB LYS A 10 75.487 5.458 -10.795 1.00 0.70 C ATOM 127 CG LYS A 10 74.366 5.418 -11.836 1.00 0.93 C ATOM 128 CD LYS A 10 74.101 6.832 -12.358 1.00 1.43 C ATOM 129 CE LYS A 10 73.536 7.698 -11.228 1.00 1.79 C ATOM 130 NZ LYS A 10 73.161 8.984 -11.881 1.00 2.34 N ATOM 0 H LYS A 10 75.870 3.048 -9.812 1.00 0.63 H new ATOM 0 HA LYS A 10 76.850 4.553 -12.257 1.00 0.64 H new ATOM 0 HB2 LYS A 10 75.095 5.186 -9.815 1.00 0.70 H new ATOM 0 HB3 LYS A 10 75.881 6.471 -10.711 1.00 0.70 H new ATOM 0 HG2 LYS A 10 74.644 4.761 -12.660 1.00 0.93 H new ATOM 0 HG3 LYS A 10 73.459 5.007 -11.393 1.00 0.93 H new ATOM 0 HD2 LYS A 10 75.024 7.269 -12.738 1.00 1.43 H new ATOM 0 HD3 LYS A 10 73.398 6.798 -13.190 1.00 1.43 H new ATOM 0 HE2 LYS A 10 72.672 7.225 -10.762 1.00 1.79 H new ATOM 0 HE3 LYS A 10 74.276 7.855 -10.443 1.00 1.79 H new ATOM 0 HZ1 LYS A 10 72.765 9.632 -11.170 1.00 2.34 H new ATOM 0 HZ2 LYS A 10 74.005 9.415 -12.310 1.00 2.34 H new ATOM 0 HZ3 LYS A 10 72.451 8.804 -12.619 1.00 2.34 H new ATOM 144 N PRO A 11 78.544 5.868 -10.839 1.00 0.59 N ATOM 145 CA PRO A 11 79.786 6.298 -10.155 1.00 0.54 C ATOM 146 C PRO A 11 79.453 6.843 -8.767 1.00 0.51 C ATOM 147 O PRO A 11 78.313 7.128 -8.460 1.00 0.54 O ATOM 148 CB PRO A 11 80.341 7.392 -11.062 1.00 0.60 C ATOM 149 CG PRO A 11 79.154 7.903 -11.815 1.00 0.67 C ATOM 150 CD PRO A 11 78.206 6.741 -11.969 1.00 0.67 C ATOM 0 HA PRO A 11 80.501 5.489 -10.003 1.00 0.54 H new ATOM 0 HB2 PRO A 11 80.813 8.185 -10.482 1.00 0.60 H new ATOM 0 HB3 PRO A 11 81.099 6.998 -11.739 1.00 0.60 H new ATOM 0 HG2 PRO A 11 78.678 8.722 -11.277 1.00 0.67 H new ATOM 0 HG3 PRO A 11 79.451 8.292 -12.789 1.00 0.67 H new ATOM 0 HD2 PRO A 11 77.166 7.064 -11.929 1.00 0.67 H new ATOM 0 HD3 PRO A 11 78.346 6.233 -12.924 1.00 0.67 H new ATOM 158 N ALA A 12 80.433 6.976 -7.921 1.00 0.47 N ATOM 159 CA ALA A 12 80.156 7.486 -6.547 1.00 0.45 C ATOM 160 C ALA A 12 80.638 8.929 -6.377 1.00 0.48 C ATOM 161 O ALA A 12 81.799 9.236 -6.561 1.00 0.53 O ATOM 162 CB ALA A 12 80.928 6.556 -5.616 1.00 0.40 C ATOM 0 H ALA A 12 81.409 6.756 -8.117 1.00 0.47 H new ATOM 0 HA ALA A 12 79.087 7.495 -6.335 1.00 0.45 H new ATOM 0 HB1 ALA A 12 80.775 6.866 -4.582 1.00 0.40 H new ATOM 0 HB2 ALA A 12 80.571 5.534 -5.745 1.00 0.40 H new ATOM 0 HB3 ALA A 12 81.991 6.602 -5.855 1.00 0.40 H new ATOM 168 N THR A 13 79.752 9.806 -5.998 1.00 0.48 N ATOM 169 CA THR A 13 80.140 11.228 -5.778 1.00 0.52 C ATOM 170 C THR A 13 80.576 11.395 -4.315 1.00 0.50 C ATOM 171 O THR A 13 80.722 10.412 -3.615 1.00 0.45 O ATOM 172 CB THR A 13 78.866 12.028 -6.078 1.00 0.58 C ATOM 173 OG1 THR A 13 77.851 11.152 -6.551 1.00 0.59 O ATOM 174 CG2 THR A 13 79.163 13.079 -7.149 1.00 0.64 C ATOM 0 H THR A 13 78.768 9.598 -5.830 1.00 0.48 H new ATOM 0 HA THR A 13 80.968 11.560 -6.404 1.00 0.52 H new ATOM 0 HB THR A 13 78.527 12.519 -5.166 1.00 0.58 H new ATOM 0 HG1 THR A 13 77.038 11.665 -6.740 1.00 0.59 H new ATOM 0 HG21 THR A 13 78.258 13.647 -7.362 1.00 0.64 H new ATOM 0 HG22 THR A 13 79.940 13.755 -6.790 1.00 0.64 H new ATOM 0 HG23 THR A 13 79.504 12.585 -8.059 1.00 0.64 H new ATOM 182 N PRO A 14 80.770 12.616 -3.880 1.00 0.54 N ATOM 183 CA PRO A 14 81.188 12.840 -2.474 1.00 0.54 C ATOM 184 C PRO A 14 80.023 12.520 -1.533 1.00 0.53 C ATOM 185 O PRO A 14 80.207 11.989 -0.456 1.00 0.51 O ATOM 186 CB PRO A 14 81.553 14.322 -2.435 1.00 0.61 C ATOM 187 CG PRO A 14 80.784 14.938 -3.557 1.00 0.65 C ATOM 188 CD PRO A 14 80.628 13.880 -4.619 1.00 0.61 C ATOM 0 HA PRO A 14 82.018 12.209 -2.156 1.00 0.54 H new ATOM 0 HB2 PRO A 14 81.283 14.770 -1.479 1.00 0.61 H new ATOM 0 HB3 PRO A 14 82.625 14.468 -2.564 1.00 0.61 H new ATOM 0 HG2 PRO A 14 79.810 15.284 -3.212 1.00 0.65 H new ATOM 0 HG3 PRO A 14 81.309 15.807 -3.953 1.00 0.65 H new ATOM 0 HD2 PRO A 14 79.658 13.948 -5.112 1.00 0.61 H new ATOM 0 HD3 PRO A 14 81.387 13.977 -5.395 1.00 0.61 H new ATOM 196 N GLU A 15 78.825 12.831 -1.942 1.00 0.56 N ATOM 197 CA GLU A 15 77.641 12.546 -1.101 1.00 0.56 C ATOM 198 C GLU A 15 77.518 11.039 -0.894 1.00 0.51 C ATOM 199 O GLU A 15 77.388 10.544 0.208 1.00 0.49 O ATOM 200 CB GLU A 15 76.491 13.107 -1.947 1.00 0.62 C ATOM 201 CG GLU A 15 75.616 12.003 -2.563 1.00 0.62 C ATOM 202 CD GLU A 15 74.299 12.614 -3.048 1.00 0.77 C ATOM 203 OE1 GLU A 15 74.001 13.727 -2.647 1.00 1.40 O ATOM 204 OE2 GLU A 15 73.611 11.958 -3.813 1.00 1.35 O ATOM 0 H GLU A 15 78.618 13.276 -2.836 1.00 0.56 H new ATOM 0 HA GLU A 15 77.672 12.982 -0.102 1.00 0.56 H new ATOM 0 HB2 GLU A 15 75.870 13.753 -1.326 1.00 0.62 H new ATOM 0 HB3 GLU A 15 76.901 13.728 -2.744 1.00 0.62 H new ATOM 0 HG2 GLU A 15 76.139 11.530 -3.394 1.00 0.62 H new ATOM 0 HG3 GLU A 15 75.420 11.225 -1.826 1.00 0.62 H new ATOM 211 N ILE A 16 77.571 10.321 -1.970 1.00 0.50 N ATOM 212 CA ILE A 16 77.474 8.839 -1.901 1.00 0.47 C ATOM 213 C ILE A 16 78.640 8.318 -1.081 1.00 0.41 C ATOM 214 O ILE A 16 78.526 7.355 -0.348 1.00 0.40 O ATOM 215 CB ILE A 16 77.579 8.362 -3.351 1.00 0.51 C ATOM 216 CG1 ILE A 16 76.327 8.785 -4.122 1.00 0.59 C ATOM 217 CG2 ILE A 16 77.703 6.839 -3.384 1.00 0.55 C ATOM 218 CD1 ILE A 16 75.082 8.242 -3.418 1.00 0.74 C ATOM 0 H ILE A 16 77.679 10.700 -2.911 1.00 0.50 H new ATOM 0 HA ILE A 16 76.552 8.490 -1.437 1.00 0.47 H new ATOM 0 HB ILE A 16 78.460 8.808 -3.813 1.00 0.51 H new ATOM 0 HG12 ILE A 16 76.276 9.872 -4.185 1.00 0.59 H new ATOM 0 HG13 ILE A 16 76.372 8.408 -5.144 1.00 0.59 H new ATOM 0 HG21 ILE A 16 77.778 6.502 -4.418 1.00 0.55 H new ATOM 0 HG22 ILE A 16 78.596 6.535 -2.838 1.00 0.55 H new ATOM 0 HG23 ILE A 16 76.824 6.392 -2.920 1.00 0.55 H new ATOM 0 HD11 ILE A 16 74.191 8.545 -3.969 1.00 0.74 H new ATOM 0 HD12 ILE A 16 75.132 7.154 -3.378 1.00 0.74 H new ATOM 0 HD13 ILE A 16 75.034 8.640 -2.404 1.00 0.74 H new ATOM 230 N GLN A 17 79.763 8.967 -1.187 1.00 0.40 N ATOM 231 CA GLN A 17 80.938 8.532 -0.402 1.00 0.37 C ATOM 232 C GLN A 17 80.721 8.916 1.056 1.00 0.35 C ATOM 233 O GLN A 17 81.322 8.364 1.956 1.00 0.33 O ATOM 234 CB GLN A 17 82.129 9.284 -1.004 1.00 0.42 C ATOM 235 CG GLN A 17 83.283 9.317 0.001 1.00 0.60 C ATOM 236 CD GLN A 17 83.586 7.896 0.477 1.00 0.69 C ATOM 237 OE1 GLN A 17 83.224 6.936 -0.173 1.00 1.72 O ATOM 238 NE2 GLN A 17 84.238 7.717 1.592 1.00 0.39 N ATOM 0 H GLN A 17 79.914 9.780 -1.785 1.00 0.40 H new ATOM 0 HA GLN A 17 81.104 7.455 -0.436 1.00 0.37 H new ATOM 0 HB2 GLN A 17 82.450 8.797 -1.925 1.00 0.42 H new ATOM 0 HB3 GLN A 17 81.834 10.300 -1.267 1.00 0.42 H new ATOM 0 HG2 GLN A 17 84.169 9.754 -0.460 1.00 0.60 H new ATOM 0 HG3 GLN A 17 83.022 9.948 0.850 1.00 0.60 H new ATOM 0 HE21 GLN A 17 84.543 8.522 2.139 1.00 0.39 H new ATOM 0 HE22 GLN A 17 84.443 6.772 1.917 1.00 0.39 H new ATOM 247 N GLU A 18 79.833 9.840 1.294 1.00 0.38 N ATOM 248 CA GLU A 18 79.530 10.247 2.668 1.00 0.38 C ATOM 249 C GLU A 18 78.561 9.224 3.229 1.00 0.36 C ATOM 250 O GLU A 18 78.668 8.780 4.355 1.00 0.34 O ATOM 251 CB GLU A 18 78.874 11.606 2.487 1.00 0.45 C ATOM 252 CG GLU A 18 79.844 12.697 2.921 1.00 1.07 C ATOM 253 CD GLU A 18 79.303 13.406 4.163 1.00 0.90 C ATOM 254 OE1 GLU A 18 79.426 12.847 5.240 1.00 1.31 O ATOM 255 OE2 GLU A 18 78.773 14.495 4.016 1.00 1.41 O ATOM 0 H GLU A 18 79.303 10.331 0.574 1.00 0.38 H new ATOM 0 HA GLU A 18 80.382 10.304 3.346 1.00 0.38 H new ATOM 0 HB2 GLU A 18 78.591 11.750 1.444 1.00 0.45 H new ATOM 0 HB3 GLU A 18 77.959 11.662 3.077 1.00 0.45 H new ATOM 0 HG2 GLU A 18 80.821 12.264 3.135 1.00 1.07 H new ATOM 0 HG3 GLU A 18 79.984 13.415 2.113 1.00 1.07 H new ATOM 262 N ILE A 19 77.641 8.814 2.406 1.00 0.38 N ATOM 263 CA ILE A 19 76.676 7.777 2.813 1.00 0.38 C ATOM 264 C ILE A 19 77.458 6.648 3.472 1.00 0.32 C ATOM 265 O ILE A 19 77.114 6.168 4.533 1.00 0.30 O ATOM 266 CB ILE A 19 76.050 7.366 1.477 1.00 0.43 C ATOM 267 CG1 ILE A 19 74.689 8.049 1.330 1.00 0.49 C ATOM 268 CG2 ILE A 19 75.884 5.843 1.383 1.00 0.50 C ATOM 269 CD1 ILE A 19 73.633 7.294 2.141 1.00 1.05 C ATOM 0 H ILE A 19 77.520 9.163 1.455 1.00 0.38 H new ATOM 0 HA ILE A 19 75.915 8.084 3.530 1.00 0.38 H new ATOM 0 HB ILE A 19 76.714 7.679 0.671 1.00 0.43 H new ATOM 0 HG12 ILE A 19 74.752 9.082 1.673 1.00 0.49 H new ATOM 0 HG13 ILE A 19 74.400 8.079 0.280 1.00 0.49 H new ATOM 0 HG21 ILE A 19 75.437 5.584 0.423 1.00 0.50 H new ATOM 0 HG22 ILE A 19 76.860 5.365 1.470 1.00 0.50 H new ATOM 0 HG23 ILE A 19 75.237 5.497 2.189 1.00 0.50 H new ATOM 0 HD11 ILE A 19 72.668 7.788 2.030 1.00 1.05 H new ATOM 0 HD12 ILE A 19 73.560 6.269 1.778 1.00 1.05 H new ATOM 0 HD13 ILE A 19 73.918 7.287 3.193 1.00 1.05 H new ATOM 281 N VAL A 20 78.535 6.251 2.864 1.00 0.30 N ATOM 282 CA VAL A 20 79.366 5.189 3.474 1.00 0.26 C ATOM 283 C VAL A 20 79.959 5.737 4.759 1.00 0.23 C ATOM 284 O VAL A 20 79.824 5.163 5.803 1.00 0.21 O ATOM 285 CB VAL A 20 80.465 4.888 2.457 1.00 0.31 C ATOM 286 CG1 VAL A 20 81.599 4.118 3.138 1.00 0.37 C ATOM 287 CG2 VAL A 20 79.886 4.041 1.329 1.00 0.44 C ATOM 0 H VAL A 20 78.874 6.616 1.974 1.00 0.30 H new ATOM 0 HA VAL A 20 78.804 4.286 3.711 1.00 0.26 H new ATOM 0 HB VAL A 20 80.854 5.823 2.054 1.00 0.31 H new ATOM 0 HG11 VAL A 20 82.382 3.904 2.410 1.00 0.37 H new ATOM 0 HG12 VAL A 20 82.011 4.719 3.949 1.00 0.37 H new ATOM 0 HG13 VAL A 20 81.213 3.182 3.541 1.00 0.37 H new ATOM 0 HG21 VAL A 20 80.667 3.823 0.600 1.00 0.44 H new ATOM 0 HG22 VAL A 20 79.500 3.107 1.737 1.00 0.44 H new ATOM 0 HG23 VAL A 20 79.077 4.587 0.843 1.00 0.44 H new ATOM 297 N ASP A 21 80.565 6.884 4.689 1.00 0.26 N ATOM 298 CA ASP A 21 81.140 7.516 5.894 1.00 0.29 C ATOM 299 C ASP A 21 80.078 7.666 6.975 1.00 0.30 C ATOM 300 O ASP A 21 80.368 7.934 8.120 1.00 0.35 O ATOM 301 CB ASP A 21 81.534 8.872 5.370 1.00 0.35 C ATOM 302 CG ASP A 21 83.035 8.909 5.078 1.00 0.39 C ATOM 303 OD1 ASP A 21 83.641 7.851 5.057 1.00 1.14 O ATOM 304 OD2 ASP A 21 83.553 9.996 4.881 1.00 1.16 O ATOM 0 H ASP A 21 80.687 7.418 3.828 1.00 0.26 H new ATOM 0 HA ASP A 21 81.957 6.951 6.343 1.00 0.29 H new ATOM 0 HB2 ASP A 21 80.974 9.096 4.462 1.00 0.35 H new ATOM 0 HB3 ASP A 21 81.279 9.640 6.100 1.00 0.35 H new ATOM 309 N LYS A 22 78.848 7.506 6.607 1.00 0.29 N ATOM 310 CA LYS A 22 77.745 7.643 7.593 1.00 0.33 C ATOM 311 C LYS A 22 77.727 6.428 8.511 1.00 0.30 C ATOM 312 O LYS A 22 77.683 6.544 9.719 1.00 0.36 O ATOM 313 CB LYS A 22 76.479 7.701 6.745 1.00 0.37 C ATOM 314 CG LYS A 22 75.312 8.193 7.602 1.00 0.45 C ATOM 315 CD LYS A 22 74.925 9.608 7.173 1.00 0.85 C ATOM 316 CE LYS A 22 75.967 10.604 7.690 1.00 1.32 C ATOM 317 NZ LYS A 22 76.029 11.670 6.652 1.00 1.75 N ATOM 0 H LYS A 22 78.552 7.284 5.657 1.00 0.29 H new ATOM 0 HA LYS A 22 77.848 8.522 8.229 1.00 0.33 H new ATOM 0 HB2 LYS A 22 76.627 8.369 5.896 1.00 0.37 H new ATOM 0 HB3 LYS A 22 76.255 6.715 6.339 1.00 0.37 H new ATOM 0 HG2 LYS A 22 74.459 7.523 7.493 1.00 0.45 H new ATOM 0 HG3 LYS A 22 75.592 8.185 8.655 1.00 0.45 H new ATOM 0 HD2 LYS A 22 74.861 9.665 6.086 1.00 0.85 H new ATOM 0 HD3 LYS A 22 73.940 9.861 7.564 1.00 0.85 H new ATOM 0 HE2 LYS A 22 75.677 11.012 8.658 1.00 1.32 H new ATOM 0 HE3 LYS A 22 76.938 10.126 7.824 1.00 1.32 H new ATOM 0 HZ1 LYS A 22 76.723 12.391 6.936 1.00 1.75 H new ATOM 0 HZ2 LYS A 22 76.314 11.253 5.743 1.00 1.75 H new ATOM 0 HZ3 LYS A 22 75.093 12.112 6.552 1.00 1.75 H new ATOM 331 N VAL A 23 77.774 5.262 7.940 1.00 0.25 N ATOM 332 CA VAL A 23 77.775 4.028 8.769 1.00 0.24 C ATOM 333 C VAL A 23 79.043 3.228 8.503 1.00 0.22 C ATOM 334 O VAL A 23 79.307 2.238 9.153 1.00 0.24 O ATOM 335 CB VAL A 23 76.535 3.251 8.341 1.00 0.26 C ATOM 336 CG1 VAL A 23 76.243 2.150 9.361 1.00 0.77 C ATOM 337 CG2 VAL A 23 75.338 4.203 8.260 1.00 0.83 C ATOM 0 H VAL A 23 77.812 5.108 6.932 1.00 0.25 H new ATOM 0 HA VAL A 23 77.755 4.244 9.837 1.00 0.24 H new ATOM 0 HB VAL A 23 76.709 2.802 7.363 1.00 0.26 H new ATOM 0 HG11 VAL A 23 75.356 1.595 9.054 1.00 0.77 H new ATOM 0 HG12 VAL A 23 77.094 1.471 9.418 1.00 0.77 H new ATOM 0 HG13 VAL A 23 76.070 2.597 10.340 1.00 0.77 H new ATOM 0 HG21 VAL A 23 74.451 3.648 7.954 1.00 0.83 H new ATOM 0 HG22 VAL A 23 75.165 4.653 9.237 1.00 0.83 H new ATOM 0 HG23 VAL A 23 75.545 4.986 7.531 1.00 0.83 H new ATOM 347 N LYS A 24 79.858 3.669 7.582 1.00 0.20 N ATOM 348 CA LYS A 24 81.124 2.934 7.342 1.00 0.21 C ATOM 349 C LYS A 24 82.118 3.222 8.480 1.00 0.26 C ATOM 350 O LYS A 24 82.910 2.362 8.809 1.00 0.30 O ATOM 351 CB LYS A 24 81.655 3.383 5.984 1.00 0.20 C ATOM 352 CG LYS A 24 83.079 2.856 5.799 1.00 0.30 C ATOM 353 CD LYS A 24 84.068 3.828 6.445 1.00 0.68 C ATOM 354 CE LYS A 24 85.118 4.253 5.415 1.00 1.07 C ATOM 355 NZ LYS A 24 86.272 4.761 6.215 1.00 1.27 N ATOM 0 H LYS A 24 79.703 4.491 6.998 1.00 0.20 H new ATOM 0 HA LYS A 24 80.968 1.855 7.329 1.00 0.21 H new ATOM 0 HB2 LYS A 24 81.011 3.011 5.188 1.00 0.20 H new ATOM 0 HB3 LYS A 24 81.646 4.471 5.919 1.00 0.20 H new ATOM 0 HG2 LYS A 24 83.175 1.869 6.251 1.00 0.30 H new ATOM 0 HG3 LYS A 24 83.302 2.744 4.738 1.00 0.30 H new ATOM 0 HD2 LYS A 24 83.539 4.703 6.822 1.00 0.68 H new ATOM 0 HD3 LYS A 24 84.553 3.355 7.299 1.00 0.68 H new ATOM 0 HE2 LYS A 24 85.415 3.413 4.786 1.00 1.07 H new ATOM 0 HE3 LYS A 24 84.728 5.026 4.752 1.00 1.07 H new ATOM 0 HZ1 LYS A 24 87.030 5.070 5.573 1.00 1.27 H new ATOM 0 HZ2 LYS A 24 85.963 5.565 6.798 1.00 1.27 H new ATOM 0 HZ3 LYS A 24 86.628 4.003 6.831 1.00 1.27 H new ATOM 369 N PRO A 25 82.033 4.385 9.113 1.00 0.29 N ATOM 370 CA PRO A 25 82.930 4.632 10.260 1.00 0.36 C ATOM 371 C PRO A 25 82.480 3.685 11.347 1.00 0.37 C ATOM 372 O PRO A 25 83.256 2.973 11.952 1.00 0.41 O ATOM 373 CB PRO A 25 82.661 6.078 10.644 1.00 0.41 C ATOM 374 CG PRO A 25 81.296 6.356 10.132 1.00 0.36 C ATOM 375 CD PRO A 25 81.149 5.547 8.870 1.00 0.29 C ATOM 0 HA PRO A 25 83.992 4.478 10.068 1.00 0.36 H new ATOM 0 HB2 PRO A 25 82.715 6.218 11.724 1.00 0.41 H new ATOM 0 HB3 PRO A 25 83.395 6.749 10.199 1.00 0.41 H new ATOM 0 HG2 PRO A 25 80.540 6.075 10.865 1.00 0.36 H new ATOM 0 HG3 PRO A 25 81.165 7.419 9.931 1.00 0.36 H new ATOM 0 HD2 PRO A 25 80.116 5.240 8.705 1.00 0.29 H new ATOM 0 HD3 PRO A 25 81.458 6.112 7.990 1.00 0.29 H new ATOM 383 N GLN A 26 81.196 3.637 11.542 1.00 0.34 N ATOM 384 CA GLN A 26 80.638 2.689 12.536 1.00 0.36 C ATOM 385 C GLN A 26 80.899 1.280 12.012 1.00 0.36 C ATOM 386 O GLN A 26 81.270 0.385 12.745 1.00 0.41 O ATOM 387 CB GLN A 26 79.140 2.995 12.587 1.00 0.36 C ATOM 388 CG GLN A 26 78.649 2.948 14.035 1.00 0.81 C ATOM 389 CD GLN A 26 77.164 3.313 14.077 1.00 1.02 C ATOM 390 OE1 GLN A 26 76.763 4.196 14.809 1.00 1.81 O ATOM 391 NE2 GLN A 26 76.324 2.667 13.313 1.00 0.75 N ATOM 0 H GLN A 26 80.509 4.214 11.056 1.00 0.34 H new ATOM 0 HA GLN A 26 81.076 2.774 13.531 1.00 0.36 H new ATOM 0 HB2 GLN A 26 78.946 3.979 12.160 1.00 0.36 H new ATOM 0 HB3 GLN A 26 78.591 2.272 11.984 1.00 0.36 H new ATOM 0 HG2 GLN A 26 78.803 1.952 14.451 1.00 0.81 H new ATOM 0 HG3 GLN A 26 79.223 3.642 14.649 1.00 0.81 H new ATOM 0 HE21 GLN A 26 76.660 1.926 12.698 1.00 0.75 H new ATOM 0 HE22 GLN A 26 75.332 2.904 13.331 1.00 0.75 H new ATOM 400 N LEU A 27 80.757 1.098 10.725 1.00 0.32 N ATOM 401 CA LEU A 27 81.052 -0.231 10.129 1.00 0.36 C ATOM 402 C LEU A 27 82.436 -0.633 10.608 1.00 0.40 C ATOM 403 O LEU A 27 82.646 -1.693 11.162 1.00 0.45 O ATOM 404 CB LEU A 27 81.049 0.004 8.613 1.00 0.34 C ATOM 405 CG LEU A 27 81.188 -1.324 7.872 1.00 0.38 C ATOM 406 CD1 LEU A 27 81.004 -1.080 6.376 1.00 1.17 C ATOM 407 CD2 LEU A 27 82.580 -1.910 8.118 1.00 1.34 C ATOM 0 H LEU A 27 80.450 1.813 10.065 1.00 0.32 H new ATOM 0 HA LEU A 27 80.342 -1.013 10.400 1.00 0.36 H new ATOM 0 HB2 LEU A 27 80.124 0.499 8.316 1.00 0.34 H new ATOM 0 HB3 LEU A 27 81.868 0.669 8.339 1.00 0.34 H new ATOM 0 HG LEU A 27 80.433 -2.023 8.233 1.00 0.38 H new ATOM 0 HD11 LEU A 27 81.102 -2.023 5.839 1.00 1.17 H new ATOM 0 HD12 LEU A 27 80.015 -0.660 6.195 1.00 1.17 H new ATOM 0 HD13 LEU A 27 81.764 -0.382 6.025 1.00 1.17 H new ATOM 0 HD21 LEU A 27 82.675 -2.857 7.588 1.00 1.34 H new ATOM 0 HD22 LEU A 27 83.337 -1.214 7.756 1.00 1.34 H new ATOM 0 HD23 LEU A 27 82.721 -2.076 9.186 1.00 1.34 H new ATOM 419 N GLU A 28 83.375 0.246 10.420 1.00 0.40 N ATOM 420 CA GLU A 28 84.748 0.002 10.870 1.00 0.46 C ATOM 421 C GLU A 28 84.762 -0.289 12.371 1.00 0.50 C ATOM 422 O GLU A 28 85.391 -1.223 12.830 1.00 0.56 O ATOM 423 CB GLU A 28 85.406 1.335 10.577 1.00 0.47 C ATOM 424 CG GLU A 28 86.002 1.311 9.175 1.00 0.48 C ATOM 425 CD GLU A 28 87.522 1.470 9.256 1.00 0.58 C ATOM 426 OE1 GLU A 28 88.000 1.862 10.308 1.00 1.23 O ATOM 427 OE2 GLU A 28 88.180 1.199 8.266 1.00 1.24 O ATOM 0 H GLU A 28 83.233 1.145 9.959 1.00 0.40 H new ATOM 0 HA GLU A 28 85.238 -0.847 10.393 1.00 0.46 H new ATOM 0 HB2 GLU A 28 84.675 2.139 10.659 1.00 0.47 H new ATOM 0 HB3 GLU A 28 86.186 1.537 11.312 1.00 0.47 H new ATOM 0 HG2 GLU A 28 85.751 0.373 8.679 1.00 0.48 H new ATOM 0 HG3 GLU A 28 85.575 2.114 8.574 1.00 0.48 H new ATOM 434 N GLU A 29 84.073 0.513 13.140 1.00 0.48 N ATOM 435 CA GLU A 29 84.046 0.293 14.612 1.00 0.54 C ATOM 436 C GLU A 29 82.996 -0.760 14.980 1.00 0.54 C ATOM 437 O GLU A 29 82.721 -0.990 16.140 1.00 0.60 O ATOM 438 CB GLU A 29 83.674 1.653 15.205 1.00 0.54 C ATOM 439 CG GLU A 29 84.069 1.692 16.683 1.00 0.97 C ATOM 440 CD GLU A 29 84.610 3.080 17.031 1.00 1.70 C ATOM 441 OE1 GLU A 29 85.319 3.641 16.212 1.00 2.37 O ATOM 442 OE2 GLU A 29 84.307 3.559 18.112 1.00 2.35 O ATOM 0 H GLU A 29 83.529 1.310 12.810 1.00 0.48 H new ATOM 0 HA GLU A 29 85.000 -0.073 14.990 1.00 0.54 H new ATOM 0 HB2 GLU A 29 84.182 2.450 14.661 1.00 0.54 H new ATOM 0 HB3 GLU A 29 82.603 1.827 15.099 1.00 0.54 H new ATOM 0 HG2 GLU A 29 83.206 1.460 17.307 1.00 0.97 H new ATOM 0 HG3 GLU A 29 84.825 0.934 16.888 1.00 0.97 H new ATOM 449 N LYS A 30 82.411 -1.409 14.006 1.00 0.51 N ATOM 450 CA LYS A 30 81.397 -2.439 14.302 1.00 0.53 C ATOM 451 C LYS A 30 82.052 -3.809 14.341 1.00 0.59 C ATOM 452 O LYS A 30 81.974 -4.521 15.322 1.00 0.67 O ATOM 453 CB LYS A 30 80.423 -2.327 13.141 1.00 0.49 C ATOM 454 CG LYS A 30 79.164 -1.582 13.588 1.00 0.49 C ATOM 455 CD LYS A 30 77.986 -2.556 13.638 1.00 0.67 C ATOM 456 CE LYS A 30 77.191 -2.331 14.926 1.00 1.02 C ATOM 457 NZ LYS A 30 76.909 -3.698 15.443 1.00 1.68 N ATOM 0 H LYS A 30 82.600 -1.261 13.015 1.00 0.51 H new ATOM 0 HA LYS A 30 80.907 -2.305 15.266 1.00 0.53 H new ATOM 0 HB2 LYS A 30 80.893 -1.800 12.311 1.00 0.49 H new ATOM 0 HB3 LYS A 30 80.159 -3.321 12.779 1.00 0.49 H new ATOM 0 HG2 LYS A 30 79.322 -1.135 14.570 1.00 0.49 H new ATOM 0 HG3 LYS A 30 78.947 -0.767 12.898 1.00 0.49 H new ATOM 0 HD2 LYS A 30 77.342 -2.409 12.771 1.00 0.67 H new ATOM 0 HD3 LYS A 30 78.348 -3.583 13.596 1.00 0.67 H new ATOM 0 HE2 LYS A 30 77.763 -1.746 15.646 1.00 1.02 H new ATOM 0 HE3 LYS A 30 76.269 -1.784 14.731 1.00 1.02 H new ATOM 0 HZ1 LYS A 30 76.366 -3.630 16.327 1.00 1.68 H new ATOM 0 HZ2 LYS A 30 76.358 -4.229 14.738 1.00 1.68 H new ATOM 0 HZ3 LYS A 30 77.806 -4.192 15.625 1.00 1.68 H new ATOM 471 N THR A 31 82.737 -4.163 13.301 1.00 0.59 N ATOM 472 CA THR A 31 83.442 -5.460 13.300 1.00 0.66 C ATOM 473 C THR A 31 84.884 -5.170 13.670 1.00 0.69 C ATOM 474 O THR A 31 85.795 -5.873 13.282 1.00 0.73 O ATOM 475 CB THR A 31 83.338 -5.990 11.873 1.00 0.67 C ATOM 476 OG1 THR A 31 81.972 -6.038 11.484 1.00 1.39 O ATOM 477 CG2 THR A 31 83.943 -7.394 11.803 1.00 1.48 C ATOM 0 H THR A 31 82.839 -3.609 12.451 1.00 0.59 H new ATOM 0 HA THR A 31 83.033 -6.190 13.998 1.00 0.66 H new ATOM 0 HB THR A 31 83.883 -5.329 11.199 1.00 0.67 H new ATOM 0 HG1 THR A 31 81.899 -6.450 10.598 1.00 1.39 H new ATOM 0 HG21 THR A 31 83.868 -7.772 10.783 1.00 1.48 H new ATOM 0 HG22 THR A 31 84.991 -7.354 12.099 1.00 1.48 H new ATOM 0 HG23 THR A 31 83.401 -8.058 12.477 1.00 1.48 H new ATOM 485 N ASN A 32 85.085 -4.093 14.400 1.00 0.68 N ATOM 486 CA ASN A 32 86.440 -3.684 14.795 1.00 0.74 C ATOM 487 C ASN A 32 87.358 -3.899 13.611 1.00 0.73 C ATOM 488 O ASN A 32 88.524 -4.211 13.743 1.00 0.80 O ATOM 489 CB ASN A 32 86.783 -4.575 15.978 1.00 0.83 C ATOM 490 CG ASN A 32 87.037 -6.005 15.507 1.00 0.87 C ATOM 491 OD1 ASN A 32 86.040 -6.844 15.469 1.00 0.91 O flip ATOM 492 ND2 ASN A 32 88.149 -6.362 15.171 1.00 0.87 N flip ATOM 0 H ASN A 32 84.341 -3.481 14.736 1.00 0.68 H new ATOM 0 HA ASN A 32 86.534 -2.636 15.079 1.00 0.74 H new ATOM 0 HB2 ASN A 32 87.666 -4.190 16.488 1.00 0.83 H new ATOM 0 HB3 ASN A 32 85.967 -4.562 16.701 1.00 0.83 H new ATOM 0 HD21 ASN A 32 88.927 -5.703 15.202 1.00 0.87 H new ATOM 0 HD22 ASN A 32 88.304 -7.320 14.858 1.00 0.87 H new ATOM 499 N GLU A 33 86.809 -3.742 12.437 1.00 0.67 N ATOM 500 CA GLU A 33 87.617 -3.946 11.219 1.00 0.70 C ATOM 501 C GLU A 33 87.991 -2.603 10.583 1.00 0.61 C ATOM 502 O GLU A 33 87.166 -1.723 10.434 1.00 0.65 O ATOM 503 CB GLU A 33 86.725 -4.757 10.278 1.00 0.75 C ATOM 504 CG GLU A 33 87.590 -5.696 9.434 1.00 1.21 C ATOM 505 CD GLU A 33 87.889 -6.968 10.229 1.00 1.52 C ATOM 506 OE1 GLU A 33 88.867 -6.973 10.957 1.00 2.04 O ATOM 507 OE2 GLU A 33 87.132 -7.916 10.097 1.00 2.23 O ATOM 0 H GLU A 33 85.836 -3.481 12.277 1.00 0.67 H new ATOM 0 HA GLU A 33 88.554 -4.458 11.436 1.00 0.70 H new ATOM 0 HB2 GLU A 33 86.000 -5.333 10.854 1.00 0.75 H new ATOM 0 HB3 GLU A 33 86.158 -4.088 9.631 1.00 0.75 H new ATOM 0 HG2 GLU A 33 87.075 -5.947 8.507 1.00 1.21 H new ATOM 0 HG3 GLU A 33 88.521 -5.200 9.158 1.00 1.21 H new ATOM 514 N THR A 34 89.228 -2.445 10.197 1.00 0.64 N ATOM 515 CA THR A 34 89.656 -1.166 9.558 1.00 0.62 C ATOM 516 C THR A 34 89.955 -1.405 8.075 1.00 0.57 C ATOM 517 O THR A 34 90.291 -2.500 7.672 1.00 0.74 O ATOM 518 CB THR A 34 90.927 -0.756 10.303 1.00 0.85 C ATOM 519 OG1 THR A 34 90.950 -1.383 11.578 1.00 1.42 O ATOM 520 CG2 THR A 34 90.952 0.763 10.478 1.00 1.17 C ATOM 0 H THR A 34 89.962 -3.146 10.296 1.00 0.64 H new ATOM 0 HA THR A 34 88.889 -0.393 9.613 1.00 0.62 H new ATOM 0 HB THR A 34 91.800 -1.067 9.729 1.00 0.85 H new ATOM 0 HG1 THR A 34 91.765 -1.123 12.056 1.00 1.42 H new ATOM 0 HG21 THR A 34 91.859 1.053 11.009 1.00 1.17 H new ATOM 0 HG22 THR A 34 90.936 1.242 9.499 1.00 1.17 H new ATOM 0 HG23 THR A 34 90.080 1.078 11.051 1.00 1.17 H new ATOM 528 N TYR A 35 89.829 -0.397 7.256 1.00 0.52 N ATOM 529 CA TYR A 35 90.099 -0.587 5.804 1.00 0.52 C ATOM 530 C TYR A 35 91.372 0.150 5.384 1.00 0.62 C ATOM 531 O TYR A 35 92.334 -0.451 4.950 1.00 0.83 O ATOM 532 CB TYR A 35 88.877 0.002 5.106 1.00 0.50 C ATOM 533 CG TYR A 35 87.715 -0.950 5.250 1.00 0.48 C ATOM 534 CD1 TYR A 35 87.904 -2.322 5.046 1.00 1.33 C ATOM 535 CD2 TYR A 35 86.451 -0.460 5.593 1.00 1.25 C ATOM 536 CE1 TYR A 35 86.828 -3.205 5.186 1.00 1.37 C ATOM 537 CE2 TYR A 35 85.374 -1.343 5.733 1.00 1.26 C ATOM 538 CZ TYR A 35 85.562 -2.716 5.530 1.00 0.60 C ATOM 539 OH TYR A 35 84.500 -3.586 5.668 1.00 0.71 O ATOM 0 H TYR A 35 89.552 0.546 7.529 1.00 0.52 H new ATOM 0 HA TYR A 35 90.257 -1.635 5.548 1.00 0.52 H new ATOM 0 HB2 TYR A 35 88.626 0.969 5.541 1.00 0.50 H new ATOM 0 HB3 TYR A 35 89.093 0.173 4.052 1.00 0.50 H new ATOM 0 HD1 TYR A 35 88.881 -2.699 4.780 1.00 1.33 H new ATOM 0 HD2 TYR A 35 86.306 0.599 5.750 1.00 1.25 H new ATOM 0 HE1 TYR A 35 86.974 -4.263 5.029 1.00 1.37 H new ATOM 0 HE2 TYR A 35 84.397 -0.965 5.998 1.00 1.26 H new ATOM 0 HH TYR A 35 84.766 -4.340 6.234 1.00 0.71 H new ATOM 549 N GLY A 36 91.385 1.447 5.507 1.00 0.60 N ATOM 550 CA GLY A 36 92.598 2.218 5.111 1.00 0.75 C ATOM 551 C GLY A 36 92.202 3.487 4.357 1.00 0.84 C ATOM 552 O GLY A 36 92.888 3.932 3.458 1.00 1.76 O ATOM 0 H GLY A 36 90.611 2.007 5.864 1.00 0.60 H new ATOM 0 HA2 GLY A 36 93.175 2.480 5.998 1.00 0.75 H new ATOM 0 HA3 GLY A 36 93.240 1.600 4.483 1.00 0.75 H new ATOM 556 N LYS A 37 91.107 4.068 4.726 1.00 0.58 N ATOM 557 CA LYS A 37 90.643 5.319 4.054 1.00 0.57 C ATOM 558 C LYS A 37 90.325 5.065 2.578 1.00 0.48 C ATOM 559 O LYS A 37 91.125 5.339 1.705 1.00 0.53 O ATOM 560 CB LYS A 37 91.806 6.302 4.184 1.00 0.67 C ATOM 561 CG LYS A 37 91.489 7.322 5.278 1.00 1.57 C ATOM 562 CD LYS A 37 90.653 8.459 4.688 1.00 2.03 C ATOM 563 CE LYS A 37 90.429 9.536 5.751 1.00 2.88 C ATOM 564 NZ LYS A 37 88.985 9.438 6.100 1.00 3.43 N ATOM 0 H LYS A 37 90.499 3.732 5.473 1.00 0.58 H new ATOM 0 HA LYS A 37 89.728 5.700 4.508 1.00 0.57 H new ATOM 0 HB2 LYS A 37 92.724 5.766 4.426 1.00 0.67 H new ATOM 0 HB3 LYS A 37 91.974 6.811 3.235 1.00 0.67 H new ATOM 0 HG2 LYS A 37 90.946 6.841 6.092 1.00 1.57 H new ATOM 0 HG3 LYS A 37 92.413 7.717 5.701 1.00 1.57 H new ATOM 0 HD2 LYS A 37 91.161 8.887 3.824 1.00 2.03 H new ATOM 0 HD3 LYS A 37 89.695 8.075 4.337 1.00 2.03 H new ATOM 0 HE2 LYS A 37 91.059 9.366 6.624 1.00 2.88 H new ATOM 0 HE3 LYS A 37 90.676 10.526 5.368 1.00 2.88 H new ATOM 0 HZ1 LYS A 37 88.754 10.147 6.825 1.00 3.43 H new ATOM 0 HZ2 LYS A 37 88.410 9.611 5.251 1.00 3.43 H new ATOM 0 HZ3 LYS A 37 88.781 8.487 6.468 1.00 3.43 H new ATOM 578 N LEU A 38 89.160 4.551 2.292 1.00 0.40 N ATOM 579 CA LEU A 38 88.787 4.290 0.877 1.00 0.32 C ATOM 580 C LEU A 38 87.901 5.405 0.325 1.00 0.30 C ATOM 581 O LEU A 38 87.342 6.200 1.055 1.00 0.33 O ATOM 582 CB LEU A 38 88.021 2.960 0.863 1.00 0.28 C ATOM 583 CG LEU A 38 86.987 2.845 2.003 1.00 0.33 C ATOM 584 CD1 LEU A 38 87.667 2.345 3.281 1.00 1.32 C ATOM 585 CD2 LEU A 38 86.295 4.193 2.260 1.00 1.48 C ATOM 0 H LEU A 38 88.450 4.301 2.980 1.00 0.40 H new ATOM 0 HA LEU A 38 89.678 4.248 0.251 1.00 0.32 H new ATOM 0 HB2 LEU A 38 87.511 2.851 -0.094 1.00 0.28 H new ATOM 0 HB3 LEU A 38 88.732 2.137 0.941 1.00 0.28 H new ATOM 0 HG LEU A 38 86.225 2.127 1.701 1.00 0.33 H new ATOM 0 HD11 LEU A 38 86.929 2.267 4.079 1.00 1.32 H new ATOM 0 HD12 LEU A 38 88.109 1.365 3.099 1.00 1.32 H new ATOM 0 HD13 LEU A 38 88.448 3.046 3.576 1.00 1.32 H new ATOM 0 HD21 LEU A 38 85.572 4.083 3.068 1.00 1.48 H new ATOM 0 HD22 LEU A 38 87.041 4.937 2.540 1.00 1.48 H new ATOM 0 HD23 LEU A 38 85.781 4.517 1.355 1.00 1.48 H new ATOM 597 N GLU A 39 87.758 5.446 -0.967 1.00 0.29 N ATOM 598 CA GLU A 39 86.903 6.473 -1.601 1.00 0.30 C ATOM 599 C GLU A 39 85.865 5.780 -2.487 1.00 0.29 C ATOM 600 O GLU A 39 86.102 4.712 -3.003 1.00 0.29 O ATOM 601 CB GLU A 39 87.861 7.330 -2.423 1.00 0.34 C ATOM 602 CG GLU A 39 88.358 6.554 -3.643 1.00 0.38 C ATOM 603 CD GLU A 39 88.189 7.416 -4.895 1.00 0.88 C ATOM 604 OE1 GLU A 39 88.342 8.622 -4.784 1.00 1.66 O ATOM 605 OE2 GLU A 39 87.909 6.857 -5.942 1.00 1.47 O ATOM 0 H GLU A 39 88.206 4.800 -1.617 1.00 0.29 H new ATOM 0 HA GLU A 39 86.353 7.083 -0.884 1.00 0.30 H new ATOM 0 HB2 GLU A 39 87.358 8.242 -2.744 1.00 0.34 H new ATOM 0 HB3 GLU A 39 88.708 7.633 -1.807 1.00 0.34 H new ATOM 0 HG2 GLU A 39 89.406 6.283 -3.513 1.00 0.38 H new ATOM 0 HG3 GLU A 39 87.799 5.625 -3.749 1.00 0.38 H new ATOM 612 N ALA A 40 84.712 6.357 -2.649 1.00 0.31 N ATOM 613 CA ALA A 40 83.667 5.695 -3.482 1.00 0.32 C ATOM 614 C ALA A 40 83.911 5.909 -4.974 1.00 0.34 C ATOM 615 O ALA A 40 84.131 7.011 -5.435 1.00 0.39 O ATOM 616 CB ALA A 40 82.361 6.351 -3.058 1.00 0.35 C ATOM 0 H ALA A 40 84.445 7.254 -2.244 1.00 0.31 H new ATOM 0 HA ALA A 40 83.665 4.615 -3.333 1.00 0.32 H new ATOM 0 HB1 ALA A 40 81.536 5.920 -3.625 1.00 0.35 H new ATOM 0 HB2 ALA A 40 82.197 6.181 -1.994 1.00 0.35 H new ATOM 0 HB3 ALA A 40 82.413 7.423 -3.251 1.00 0.35 H new ATOM 622 N VAL A 41 83.843 4.850 -5.732 1.00 0.34 N ATOM 623 CA VAL A 41 84.034 4.958 -7.202 1.00 0.38 C ATOM 624 C VAL A 41 82.702 4.666 -7.887 1.00 0.40 C ATOM 625 O VAL A 41 82.433 5.122 -8.981 1.00 0.43 O ATOM 626 CB VAL A 41 85.065 3.886 -7.555 1.00 0.39 C ATOM 627 CG1 VAL A 41 85.156 3.749 -9.076 1.00 0.45 C ATOM 628 CG2 VAL A 41 86.430 4.290 -6.997 1.00 0.38 C ATOM 0 H VAL A 41 83.661 3.906 -5.391 1.00 0.34 H new ATOM 0 HA VAL A 41 84.369 5.946 -7.518 1.00 0.38 H new ATOM 0 HB VAL A 41 84.763 2.933 -7.121 1.00 0.39 H new ATOM 0 HG11 VAL A 41 85.891 2.985 -9.329 1.00 0.45 H new ATOM 0 HG12 VAL A 41 84.183 3.463 -9.474 1.00 0.45 H new ATOM 0 HG13 VAL A 41 85.459 4.702 -9.510 1.00 0.45 H new ATOM 0 HG21 VAL A 41 87.166 3.526 -7.248 1.00 0.38 H new ATOM 0 HG22 VAL A 41 86.733 5.243 -7.431 1.00 0.38 H new ATOM 0 HG23 VAL A 41 86.365 4.389 -5.913 1.00 0.38 H new ATOM 638 N GLN A 42 81.861 3.914 -7.229 1.00 0.38 N ATOM 639 CA GLN A 42 80.527 3.580 -7.808 1.00 0.42 C ATOM 640 C GLN A 42 79.569 3.161 -6.688 1.00 0.41 C ATOM 641 O GLN A 42 79.957 3.046 -5.543 1.00 0.40 O ATOM 642 CB GLN A 42 80.779 2.406 -8.756 1.00 0.43 C ATOM 643 CG GLN A 42 81.704 2.847 -9.892 1.00 0.61 C ATOM 644 CD GLN A 42 81.637 1.823 -11.026 1.00 0.62 C ATOM 645 OE1 GLN A 42 81.036 2.075 -12.052 1.00 1.08 O ATOM 646 NE2 GLN A 42 82.231 0.671 -10.885 1.00 1.14 N ATOM 0 H GLN A 42 82.042 3.514 -6.308 1.00 0.38 H new ATOM 0 HA GLN A 42 80.077 4.427 -8.326 1.00 0.42 H new ATOM 0 HB2 GLN A 42 81.228 1.576 -8.210 1.00 0.43 H new ATOM 0 HB3 GLN A 42 79.834 2.046 -9.163 1.00 0.43 H new ATOM 0 HG2 GLN A 42 81.407 3.830 -10.257 1.00 0.61 H new ATOM 0 HG3 GLN A 42 82.728 2.937 -9.528 1.00 0.61 H new ATOM 0 HE21 GLN A 42 82.735 0.459 -10.024 1.00 1.14 H new ATOM 0 HE22 GLN A 42 82.191 -0.019 -11.636 1.00 1.14 H new ATOM 655 N TYR A 43 78.325 2.924 -7.004 1.00 0.44 N ATOM 656 CA TYR A 43 77.365 2.504 -5.942 1.00 0.45 C ATOM 657 C TYR A 43 75.987 2.218 -6.529 1.00 0.48 C ATOM 658 O TYR A 43 75.783 2.232 -7.727 1.00 0.53 O ATOM 659 CB TYR A 43 77.281 3.685 -4.970 1.00 0.45 C ATOM 660 CG TYR A 43 76.392 4.771 -5.541 1.00 0.48 C ATOM 661 CD1 TYR A 43 75.014 4.750 -5.285 1.00 1.35 C ATOM 662 CD2 TYR A 43 76.941 5.794 -6.325 1.00 1.26 C ATOM 663 CE1 TYR A 43 74.188 5.751 -5.810 1.00 1.37 C ATOM 664 CE2 TYR A 43 76.112 6.794 -6.851 1.00 1.29 C ATOM 665 CZ TYR A 43 74.736 6.772 -6.594 1.00 0.60 C ATOM 666 OH TYR A 43 73.920 7.758 -7.113 1.00 0.68 O ATOM 0 H TYR A 43 77.934 3.002 -7.943 1.00 0.44 H new ATOM 0 HA TYR A 43 77.698 1.589 -5.453 1.00 0.45 H new ATOM 0 HB2 TYR A 43 76.886 3.349 -4.011 1.00 0.45 H new ATOM 0 HB3 TYR A 43 78.278 4.083 -4.782 1.00 0.45 H new ATOM 0 HD1 TYR A 43 74.589 3.961 -4.682 1.00 1.35 H new ATOM 0 HD2 TYR A 43 78.002 5.812 -6.524 1.00 1.26 H new ATOM 0 HE1 TYR A 43 73.127 5.735 -5.610 1.00 1.37 H new ATOM 0 HE2 TYR A 43 76.535 7.583 -7.455 1.00 1.29 H new ATOM 0 HH TYR A 43 74.460 8.390 -7.632 1.00 0.68 H new ATOM 676 N LYS A 44 75.038 1.974 -5.672 1.00 0.49 N ATOM 677 CA LYS A 44 73.643 1.700 -6.139 1.00 0.54 C ATOM 678 C LYS A 44 72.669 1.910 -4.985 1.00 0.53 C ATOM 679 O LYS A 44 72.915 2.665 -4.064 1.00 0.53 O ATOM 680 CB LYS A 44 73.573 0.220 -6.575 1.00 0.57 C ATOM 681 CG LYS A 44 74.971 -0.355 -6.829 1.00 0.60 C ATOM 682 CD LYS A 44 74.875 -1.876 -6.972 1.00 0.83 C ATOM 683 CE LYS A 44 74.405 -2.225 -8.384 1.00 0.94 C ATOM 684 NZ LYS A 44 74.356 -3.713 -8.418 1.00 1.31 N ATOM 0 H LYS A 44 75.165 1.951 -4.660 1.00 0.49 H new ATOM 0 HA LYS A 44 73.384 2.366 -6.962 1.00 0.54 H new ATOM 0 HB2 LYS A 44 73.072 -0.365 -5.804 1.00 0.57 H new ATOM 0 HB3 LYS A 44 72.972 0.134 -7.481 1.00 0.57 H new ATOM 0 HG2 LYS A 44 75.397 0.080 -7.733 1.00 0.60 H new ATOM 0 HG3 LYS A 44 75.638 -0.097 -6.006 1.00 0.60 H new ATOM 0 HD2 LYS A 44 75.845 -2.333 -6.777 1.00 0.83 H new ATOM 0 HD3 LYS A 44 74.179 -2.278 -6.236 1.00 0.83 H new ATOM 0 HE2 LYS A 44 73.426 -1.793 -8.592 1.00 0.94 H new ATOM 0 HE3 LYS A 44 75.091 -1.836 -9.136 1.00 0.94 H new ATOM 0 HZ1 LYS A 44 73.854 -4.024 -9.274 1.00 1.31 H new ATOM 0 HZ2 LYS A 44 75.324 -4.092 -8.427 1.00 1.31 H new ATOM 0 HZ3 LYS A 44 73.855 -4.063 -7.576 1.00 1.31 H new ATOM 698 N THR A 45 71.578 1.207 -5.026 1.00 0.65 N ATOM 699 CA THR A 45 70.569 1.295 -3.945 1.00 0.66 C ATOM 700 C THR A 45 69.726 0.028 -3.986 1.00 0.67 C ATOM 701 O THR A 45 69.504 -0.541 -5.037 1.00 0.70 O ATOM 702 CB THR A 45 69.713 2.517 -4.261 1.00 0.70 C ATOM 703 OG1 THR A 45 69.359 2.502 -5.637 1.00 0.75 O ATOM 704 CG2 THR A 45 70.494 3.793 -3.943 1.00 0.72 C ATOM 0 H THR A 45 71.339 0.562 -5.779 1.00 0.65 H new ATOM 0 HA THR A 45 71.015 1.388 -2.955 1.00 0.66 H new ATOM 0 HB THR A 45 68.809 2.492 -3.653 1.00 0.70 H new ATOM 0 HG1 THR A 45 68.807 3.286 -5.841 1.00 0.75 H new ATOM 0 HG21 THR A 45 69.878 4.663 -4.171 1.00 0.72 H new ATOM 0 HG22 THR A 45 70.760 3.803 -2.886 1.00 0.72 H new ATOM 0 HG23 THR A 45 71.402 3.824 -4.546 1.00 0.72 H new ATOM 712 N GLN A 46 69.264 -0.432 -2.869 1.00 0.68 N ATOM 713 CA GLN A 46 68.456 -1.669 -2.880 1.00 0.71 C ATOM 714 C GLN A 46 66.985 -1.334 -2.607 1.00 0.73 C ATOM 715 O GLN A 46 66.514 -0.264 -2.936 1.00 0.73 O ATOM 716 CB GLN A 46 69.040 -2.514 -1.753 1.00 0.72 C ATOM 717 CG GLN A 46 69.391 -3.910 -2.279 1.00 0.82 C ATOM 718 CD GLN A 46 68.111 -4.723 -2.475 1.00 0.89 C ATOM 719 OE1 GLN A 46 67.297 -4.407 -3.442 1.00 1.45 O flip ATOM 720 NE2 GLN A 46 67.849 -5.654 -1.739 1.00 0.82 N flip ATOM 0 H GLN A 46 69.409 -0.008 -1.953 1.00 0.68 H new ATOM 0 HA GLN A 46 68.487 -2.189 -3.838 1.00 0.71 H new ATOM 0 HB2 GLN A 46 69.931 -2.033 -1.350 1.00 0.72 H new ATOM 0 HB3 GLN A 46 68.323 -2.593 -0.936 1.00 0.72 H new ATOM 0 HG2 GLN A 46 69.930 -3.829 -3.223 1.00 0.82 H new ATOM 0 HG3 GLN A 46 70.052 -4.418 -1.577 1.00 0.82 H new ATOM 0 HE21 GLN A 46 68.487 -5.901 -0.982 1.00 0.82 H new ATOM 0 HE22 GLN A 46 66.991 -6.188 -1.878 1.00 0.82 H new ATOM 729 N VAL A 47 66.261 -2.234 -2.001 1.00 0.77 N ATOM 730 CA VAL A 47 64.825 -1.957 -1.702 1.00 0.79 C ATOM 731 C VAL A 47 64.289 -2.965 -0.673 1.00 0.81 C ATOM 732 O VAL A 47 64.105 -4.129 -0.965 1.00 0.91 O ATOM 733 CB VAL A 47 64.106 -2.087 -3.061 1.00 0.88 C ATOM 734 CG1 VAL A 47 62.815 -2.910 -2.931 1.00 0.99 C ATOM 735 CG2 VAL A 47 63.752 -0.692 -3.575 1.00 0.98 C ATOM 0 H VAL A 47 66.599 -3.148 -1.700 1.00 0.77 H new ATOM 0 HA VAL A 47 64.668 -0.971 -1.264 1.00 0.79 H new ATOM 0 HB VAL A 47 64.775 -2.596 -3.755 1.00 0.88 H new ATOM 0 HG11 VAL A 47 62.331 -2.984 -3.905 1.00 0.99 H new ATOM 0 HG12 VAL A 47 63.056 -3.909 -2.569 1.00 0.99 H new ATOM 0 HG13 VAL A 47 62.141 -2.421 -2.227 1.00 0.99 H new ATOM 0 HG21 VAL A 47 63.243 -0.776 -4.535 1.00 0.98 H new ATOM 0 HG22 VAL A 47 63.096 -0.196 -2.859 1.00 0.98 H new ATOM 0 HG23 VAL A 47 64.664 -0.107 -3.697 1.00 0.98 H new ATOM 745 N VAL A 48 64.030 -2.518 0.526 1.00 0.76 N ATOM 746 CA VAL A 48 63.498 -3.444 1.575 1.00 0.80 C ATOM 747 C VAL A 48 62.485 -2.707 2.456 1.00 0.82 C ATOM 748 O VAL A 48 61.600 -2.034 1.966 1.00 1.06 O ATOM 749 CB VAL A 48 64.725 -3.876 2.378 1.00 0.85 C ATOM 750 CG1 VAL A 48 64.397 -5.150 3.159 1.00 1.26 C ATOM 751 CG2 VAL A 48 65.896 -4.154 1.429 1.00 1.00 C ATOM 0 H VAL A 48 64.163 -1.553 0.827 1.00 0.76 H new ATOM 0 HA VAL A 48 62.976 -4.303 1.155 1.00 0.80 H new ATOM 0 HB VAL A 48 65.001 -3.079 3.069 1.00 0.85 H new ATOM 0 HG11 VAL A 48 65.270 -5.460 3.733 1.00 1.26 H new ATOM 0 HG12 VAL A 48 63.567 -4.957 3.838 1.00 1.26 H new ATOM 0 HG13 VAL A 48 64.120 -5.942 2.463 1.00 1.26 H new ATOM 0 HG21 VAL A 48 66.768 -4.461 2.007 1.00 1.00 H new ATOM 0 HG22 VAL A 48 65.622 -4.949 0.736 1.00 1.00 H new ATOM 0 HG23 VAL A 48 66.133 -3.250 0.869 1.00 1.00 H new ATOM 761 N ALA A 49 62.625 -2.796 3.748 1.00 0.80 N ATOM 762 CA ALA A 49 61.696 -2.069 4.667 1.00 0.79 C ATOM 763 C ALA A 49 62.210 -0.639 4.833 1.00 0.76 C ATOM 764 O ALA A 49 62.214 -0.070 5.906 1.00 0.94 O ATOM 765 CB ALA A 49 61.762 -2.826 5.995 1.00 0.88 C ATOM 0 H ALA A 49 63.348 -3.345 4.214 1.00 0.80 H new ATOM 0 HA ALA A 49 60.672 -2.022 4.297 1.00 0.79 H new ATOM 0 HB1 ALA A 49 61.103 -2.347 6.720 1.00 0.88 H new ATOM 0 HB2 ALA A 49 61.445 -3.858 5.842 1.00 0.88 H new ATOM 0 HB3 ALA A 49 62.785 -2.813 6.371 1.00 0.88 H new ATOM 771 N GLY A 50 62.676 -0.088 3.755 1.00 0.68 N ATOM 772 CA GLY A 50 63.248 1.277 3.742 1.00 0.65 C ATOM 773 C GLY A 50 64.006 1.406 2.435 1.00 0.65 C ATOM 774 O GLY A 50 63.460 1.235 1.363 1.00 0.72 O ATOM 0 H GLY A 50 62.683 -0.549 2.845 1.00 0.68 H new ATOM 0 HA2 GLY A 50 62.462 2.029 3.812 1.00 0.65 H new ATOM 0 HA3 GLY A 50 63.911 1.429 4.593 1.00 0.65 H new ATOM 778 N THR A 51 65.259 1.668 2.518 1.00 0.62 N ATOM 779 CA THR A 51 66.079 1.770 1.280 1.00 0.62 C ATOM 780 C THR A 51 67.552 1.527 1.613 1.00 0.57 C ATOM 781 O THR A 51 68.195 2.339 2.243 1.00 0.57 O ATOM 782 CB THR A 51 65.860 3.197 0.771 1.00 0.65 C ATOM 783 OG1 THR A 51 64.563 3.298 0.199 1.00 0.70 O ATOM 784 CG2 THR A 51 66.915 3.536 -0.284 1.00 0.69 C ATOM 0 H THR A 51 65.767 1.819 3.390 1.00 0.62 H new ATOM 0 HA THR A 51 65.797 1.032 0.529 1.00 0.62 H new ATOM 0 HB THR A 51 65.948 3.897 1.602 1.00 0.65 H new ATOM 0 HG1 THR A 51 64.118 2.426 0.241 1.00 0.70 H new ATOM 0 HG21 THR A 51 66.756 4.552 -0.644 1.00 0.69 H new ATOM 0 HG22 THR A 51 67.909 3.459 0.157 1.00 0.69 H new ATOM 0 HG23 THR A 51 66.833 2.839 -1.118 1.00 0.69 H new ATOM 792 N ASN A 52 68.092 0.410 1.202 1.00 0.56 N ATOM 793 CA ASN A 52 69.523 0.124 1.507 1.00 0.53 C ATOM 794 C ASN A 52 70.422 0.645 0.390 1.00 0.52 C ATOM 795 O ASN A 52 70.039 0.679 -0.760 1.00 0.55 O ATOM 796 CB ASN A 52 69.629 -1.397 1.569 1.00 0.56 C ATOM 797 CG ASN A 52 68.747 -1.945 2.688 1.00 0.59 C ATOM 798 OD1 ASN A 52 67.736 -1.363 3.024 1.00 0.86 O ATOM 799 ND2 ASN A 52 69.090 -3.057 3.278 1.00 0.82 N ATOM 0 H ASN A 52 67.606 -0.313 0.671 1.00 0.56 H new ATOM 0 HA ASN A 52 69.835 0.604 2.435 1.00 0.53 H new ATOM 0 HB2 ASN A 52 69.327 -1.828 0.615 1.00 0.56 H new ATOM 0 HB3 ASN A 52 70.665 -1.689 1.737 1.00 0.56 H new ATOM 0 HD21 ASN A 52 68.508 -3.439 4.023 1.00 0.82 H new ATOM 0 HD22 ASN A 52 69.940 -3.544 2.994 1.00 0.82 H new ATOM 806 N TYR A 53 71.622 1.039 0.711 1.00 0.48 N ATOM 807 CA TYR A 53 72.533 1.532 -0.343 1.00 0.47 C ATOM 808 C TYR A 53 73.736 0.602 -0.469 1.00 0.43 C ATOM 809 O TYR A 53 74.072 -0.139 0.441 1.00 0.41 O ATOM 810 CB TYR A 53 73.009 2.900 0.119 1.00 0.44 C ATOM 811 CG TYR A 53 71.840 3.836 0.350 1.00 0.51 C ATOM 812 CD1 TYR A 53 70.865 3.546 1.316 1.00 1.30 C ATOM 813 CD2 TYR A 53 71.742 5.012 -0.404 1.00 1.35 C ATOM 814 CE1 TYR A 53 69.800 4.431 1.524 1.00 1.33 C ATOM 815 CE2 TYR A 53 70.675 5.893 -0.195 1.00 1.39 C ATOM 816 CZ TYR A 53 69.704 5.602 0.768 1.00 0.67 C ATOM 817 OH TYR A 53 68.653 6.473 0.974 1.00 0.76 O ATOM 0 H TYR A 53 72.005 1.039 1.656 1.00 0.48 H new ATOM 0 HA TYR A 53 72.031 1.577 -1.310 1.00 0.47 H new ATOM 0 HB2 TYR A 53 73.583 2.797 1.040 1.00 0.44 H new ATOM 0 HB3 TYR A 53 73.678 3.327 -0.628 1.00 0.44 H new ATOM 0 HD1 TYR A 53 70.936 2.640 1.899 1.00 1.30 H new ATOM 0 HD2 TYR A 53 72.491 5.239 -1.148 1.00 1.35 H new ATOM 0 HE1 TYR A 53 69.052 4.208 2.270 1.00 1.33 H new ATOM 0 HE2 TYR A 53 70.601 6.799 -0.778 1.00 1.39 H new ATOM 0 HH TYR A 53 68.738 7.237 0.367 1.00 0.76 H new ATOM 827 N TYR A 54 74.392 0.674 -1.587 1.00 0.46 N ATOM 828 CA TYR A 54 75.603 -0.161 -1.836 1.00 0.46 C ATOM 829 C TYR A 54 76.681 0.734 -2.444 1.00 0.41 C ATOM 830 O TYR A 54 76.548 1.198 -3.559 1.00 0.47 O ATOM 831 CB TYR A 54 75.149 -1.218 -2.844 1.00 0.64 C ATOM 832 CG TYR A 54 75.683 -2.574 -2.446 1.00 0.67 C ATOM 833 CD1 TYR A 54 77.063 -2.795 -2.383 1.00 1.53 C ATOM 834 CD2 TYR A 54 74.793 -3.615 -2.150 1.00 1.62 C ATOM 835 CE1 TYR A 54 77.554 -4.055 -2.020 1.00 2.11 C ATOM 836 CE2 TYR A 54 75.285 -4.874 -1.789 1.00 2.19 C ATOM 837 CZ TYR A 54 76.666 -5.095 -1.725 1.00 2.18 C ATOM 838 OH TYR A 54 77.152 -6.336 -1.371 1.00 2.98 O ATOM 0 H TYR A 54 74.137 1.290 -2.359 1.00 0.46 H new ATOM 0 HA TYR A 54 76.010 -0.621 -0.936 1.00 0.46 H new ATOM 0 HB2 TYR A 54 74.060 -1.246 -2.889 1.00 0.64 H new ATOM 0 HB3 TYR A 54 75.503 -0.957 -3.841 1.00 0.64 H new ATOM 0 HD1 TYR A 54 77.749 -1.994 -2.614 1.00 1.53 H new ATOM 0 HD2 TYR A 54 73.728 -3.446 -2.201 1.00 1.62 H new ATOM 0 HE1 TYR A 54 78.619 -4.224 -1.968 1.00 2.11 H new ATOM 0 HE2 TYR A 54 74.599 -5.676 -1.560 1.00 2.19 H new ATOM 0 HH TYR A 54 76.677 -6.659 -0.577 1.00 2.98 H new ATOM 848 N ILE A 55 77.731 1.018 -1.725 1.00 0.34 N ATOM 849 CA ILE A 55 78.767 1.925 -2.294 1.00 0.33 C ATOM 850 C ILE A 55 80.079 1.190 -2.567 1.00 0.30 C ATOM 851 O ILE A 55 80.657 0.575 -1.692 1.00 0.28 O ATOM 852 CB ILE A 55 78.979 2.995 -1.226 1.00 0.35 C ATOM 853 CG1 ILE A 55 77.625 3.448 -0.673 1.00 0.84 C ATOM 854 CG2 ILE A 55 79.704 4.195 -1.839 1.00 0.73 C ATOM 855 CD1 ILE A 55 76.794 4.060 -1.802 1.00 1.49 C ATOM 0 H ILE A 55 77.916 0.669 -0.785 1.00 0.34 H new ATOM 0 HA ILE A 55 78.447 2.337 -3.251 1.00 0.33 H new ATOM 0 HB ILE A 55 79.580 2.580 -0.417 1.00 0.35 H new ATOM 0 HG12 ILE A 55 77.097 2.601 -0.236 1.00 0.84 H new ATOM 0 HG13 ILE A 55 77.771 4.178 0.123 1.00 0.84 H new ATOM 0 HG21 ILE A 55 79.855 4.958 -1.075 1.00 0.73 H new ATOM 0 HG22 ILE A 55 80.671 3.876 -2.229 1.00 0.73 H new ATOM 0 HG23 ILE A 55 79.104 4.607 -2.650 1.00 0.73 H new ATOM 0 HD11 ILE A 55 75.830 4.383 -1.410 1.00 1.49 H new ATOM 0 HD12 ILE A 55 77.322 4.918 -2.219 1.00 1.49 H new ATOM 0 HD13 ILE A 55 76.637 3.316 -2.583 1.00 1.49 H new ATOM 867 N LYS A 56 80.567 1.283 -3.772 1.00 0.33 N ATOM 868 CA LYS A 56 81.859 0.629 -4.111 1.00 0.31 C ATOM 869 C LYS A 56 82.992 1.601 -3.794 1.00 0.28 C ATOM 870 O LYS A 56 83.113 2.641 -4.411 1.00 0.31 O ATOM 871 CB LYS A 56 81.786 0.365 -5.614 1.00 0.36 C ATOM 872 CG LYS A 56 83.033 -0.397 -6.059 1.00 0.41 C ATOM 873 CD LYS A 56 82.865 -0.837 -7.513 1.00 0.66 C ATOM 874 CE LYS A 56 84.217 -0.768 -8.228 1.00 1.07 C ATOM 875 NZ LYS A 56 84.103 -1.720 -9.369 1.00 1.28 N ATOM 0 H LYS A 56 80.123 1.787 -4.540 1.00 0.33 H new ATOM 0 HA LYS A 56 82.036 -0.291 -3.553 1.00 0.31 H new ATOM 0 HB2 LYS A 56 80.891 -0.211 -5.850 1.00 0.36 H new ATOM 0 HB3 LYS A 56 81.710 1.308 -6.156 1.00 0.36 H new ATOM 0 HG2 LYS A 56 83.915 0.236 -5.958 1.00 0.41 H new ATOM 0 HG3 LYS A 56 83.189 -1.266 -5.420 1.00 0.41 H new ATOM 0 HD2 LYS A 56 82.472 -1.853 -7.553 1.00 0.66 H new ATOM 0 HD3 LYS A 56 82.142 -0.195 -8.017 1.00 0.66 H new ATOM 0 HE2 LYS A 56 84.427 0.243 -8.578 1.00 1.07 H new ATOM 0 HE3 LYS A 56 85.031 -1.049 -7.560 1.00 1.07 H new ATOM 0 HZ1 LYS A 56 84.968 -1.677 -9.945 1.00 1.28 H new ATOM 0 HZ2 LYS A 56 83.978 -2.686 -9.004 1.00 1.28 H new ATOM 0 HZ3 LYS A 56 83.283 -1.463 -9.955 1.00 1.28 H new ATOM 889 N VAL A 57 83.809 1.301 -2.826 1.00 0.25 N ATOM 890 CA VAL A 57 84.896 2.246 -2.478 1.00 0.24 C ATOM 891 C VAL A 57 86.248 1.694 -2.920 1.00 0.23 C ATOM 892 O VAL A 57 86.492 0.515 -2.868 1.00 0.26 O ATOM 893 CB VAL A 57 84.863 2.396 -0.946 1.00 0.22 C ATOM 894 CG1 VAL A 57 84.843 3.880 -0.586 1.00 0.24 C ATOM 895 CG2 VAL A 57 83.619 1.725 -0.345 1.00 0.24 C ATOM 0 H VAL A 57 83.770 0.449 -2.266 1.00 0.25 H new ATOM 0 HA VAL A 57 84.757 3.205 -2.978 1.00 0.24 H new ATOM 0 HB VAL A 57 85.750 1.912 -0.539 1.00 0.22 H new ATOM 0 HG11 VAL A 57 84.820 3.991 0.498 1.00 0.24 H new ATOM 0 HG12 VAL A 57 85.737 4.362 -0.981 1.00 0.24 H new ATOM 0 HG13 VAL A 57 83.958 4.347 -1.018 1.00 0.24 H new ATOM 0 HG21 VAL A 57 83.626 1.849 0.738 1.00 0.24 H new ATOM 0 HG22 VAL A 57 82.722 2.186 -0.757 1.00 0.24 H new ATOM 0 HG23 VAL A 57 83.625 0.663 -0.589 1.00 0.24 H new ATOM 905 N ARG A 58 87.140 2.544 -3.331 1.00 0.25 N ATOM 906 CA ARG A 58 88.483 2.066 -3.745 1.00 0.26 C ATOM 907 C ARG A 58 89.297 1.789 -2.490 1.00 0.27 C ATOM 908 O ARG A 58 88.834 1.989 -1.387 1.00 0.28 O ATOM 909 CB ARG A 58 89.055 3.227 -4.554 1.00 0.30 C ATOM 910 CG ARG A 58 90.569 3.295 -4.418 1.00 0.45 C ATOM 911 CD ARG A 58 91.074 4.545 -5.135 1.00 1.30 C ATOM 912 NE ARG A 58 91.367 4.090 -6.521 1.00 1.59 N ATOM 913 CZ ARG A 58 91.261 4.923 -7.519 1.00 2.32 C ATOM 914 NH1 ARG A 58 92.012 5.990 -7.559 1.00 2.87 N ATOM 915 NH2 ARG A 58 90.407 4.688 -8.477 1.00 2.99 N ATOM 0 H ARG A 58 86.997 3.552 -3.398 1.00 0.25 H new ATOM 0 HA ARG A 58 88.478 1.147 -4.331 1.00 0.26 H new ATOM 0 HB2 ARG A 58 88.786 3.110 -5.604 1.00 0.30 H new ATOM 0 HB3 ARG A 58 88.614 4.164 -4.214 1.00 0.30 H new ATOM 0 HG2 ARG A 58 90.852 3.324 -3.366 1.00 0.45 H new ATOM 0 HG3 ARG A 58 91.026 2.404 -4.847 1.00 0.45 H new ATOM 0 HD2 ARG A 58 90.324 5.336 -5.128 1.00 1.30 H new ATOM 0 HD3 ARG A 58 91.965 4.946 -4.653 1.00 1.30 H new ATOM 0 HE ARG A 58 91.651 3.125 -6.691 1.00 1.59 H new ATOM 0 HH11 ARG A 58 92.681 6.171 -6.810 1.00 2.87 H new ATOM 0 HH12 ARG A 58 91.930 6.642 -8.339 1.00 2.87 H new ATOM 0 HH21 ARG A 58 89.822 3.853 -8.445 1.00 2.99 H new ATOM 0 HH22 ARG A 58 90.324 5.339 -9.257 1.00 2.99 H new ATOM 929 N ALA A 59 90.490 1.318 -2.634 1.00 0.30 N ATOM 930 CA ALA A 59 91.292 1.027 -1.409 1.00 0.35 C ATOM 931 C ALA A 59 92.791 1.082 -1.691 1.00 0.40 C ATOM 932 O ALA A 59 93.496 0.106 -1.543 1.00 0.43 O ATOM 933 CB ALA A 59 90.876 -0.384 -0.994 1.00 0.36 C ATOM 0 H ALA A 59 90.947 1.121 -3.524 1.00 0.30 H new ATOM 0 HA ALA A 59 91.108 1.764 -0.627 1.00 0.35 H new ATOM 0 HB1 ALA A 59 91.422 -0.675 -0.097 1.00 0.36 H new ATOM 0 HB2 ALA A 59 89.806 -0.402 -0.789 1.00 0.36 H new ATOM 0 HB3 ALA A 59 91.103 -1.082 -1.800 1.00 0.36 H new ATOM 939 N GLY A 60 93.285 2.218 -2.079 1.00 0.43 N ATOM 940 CA GLY A 60 94.746 2.331 -2.348 1.00 0.48 C ATOM 941 C GLY A 60 94.977 2.807 -3.767 1.00 0.49 C ATOM 942 O GLY A 60 95.956 2.477 -4.405 1.00 0.53 O ATOM 0 H GLY A 60 92.746 3.072 -2.222 1.00 0.43 H new ATOM 0 HA2 GLY A 60 95.201 3.027 -1.644 1.00 0.48 H new ATOM 0 HA3 GLY A 60 95.228 1.365 -2.197 1.00 0.48 H new ATOM 946 N ASP A 61 94.066 3.561 -4.253 1.00 0.48 N ATOM 947 CA ASP A 61 94.168 4.078 -5.642 1.00 0.51 C ATOM 948 C ASP A 61 94.205 2.911 -6.616 1.00 0.48 C ATOM 949 O ASP A 61 94.571 3.053 -7.766 1.00 0.51 O ATOM 950 CB ASP A 61 95.469 4.884 -5.687 1.00 0.60 C ATOM 951 CG ASP A 61 95.370 6.060 -4.714 1.00 1.04 C ATOM 952 OD1 ASP A 61 94.466 6.863 -4.877 1.00 1.65 O ATOM 953 OD2 ASP A 61 96.198 6.136 -3.821 1.00 1.73 O ATOM 0 H ASP A 61 93.231 3.856 -3.747 1.00 0.48 H new ATOM 0 HA ASP A 61 93.318 4.700 -5.922 1.00 0.51 H new ATOM 0 HB2 ASP A 61 96.313 4.248 -5.422 1.00 0.60 H new ATOM 0 HB3 ASP A 61 95.650 5.248 -6.698 1.00 0.60 H new ATOM 958 N ASN A 62 93.824 1.753 -6.159 1.00 0.44 N ATOM 959 CA ASN A 62 93.831 0.569 -7.052 1.00 0.44 C ATOM 960 C ASN A 62 92.947 -0.559 -6.513 1.00 0.41 C ATOM 961 O ASN A 62 92.337 -1.287 -7.270 1.00 0.43 O ATOM 962 CB ASN A 62 95.288 0.131 -7.102 1.00 0.50 C ATOM 963 CG ASN A 62 95.930 0.612 -8.406 1.00 0.55 C ATOM 964 OD1 ASN A 62 96.943 1.282 -8.387 1.00 1.23 O ATOM 965 ND2 ASN A 62 95.378 0.297 -9.545 1.00 1.20 N ATOM 0 H ASN A 62 93.508 1.577 -5.205 1.00 0.44 H new ATOM 0 HA ASN A 62 93.430 0.811 -8.036 1.00 0.44 H new ATOM 0 HB2 ASN A 62 95.829 0.538 -6.248 1.00 0.50 H new ATOM 0 HB3 ASN A 62 95.353 -0.955 -7.033 1.00 0.50 H new ATOM 0 HD21 ASN A 62 95.797 0.613 -10.420 1.00 1.20 H new ATOM 0 HD22 ASN A 62 94.527 -0.266 -9.561 1.00 1.20 H new ATOM 972 N LYS A 63 92.866 -0.720 -5.225 1.00 0.39 N ATOM 973 CA LYS A 63 92.014 -1.810 -4.681 1.00 0.38 C ATOM 974 C LYS A 63 90.596 -1.288 -4.520 1.00 0.34 C ATOM 975 O LYS A 63 90.318 -0.142 -4.812 1.00 0.34 O ATOM 976 CB LYS A 63 92.611 -2.185 -3.325 1.00 0.41 C ATOM 977 CG LYS A 63 94.133 -1.994 -3.340 1.00 0.46 C ATOM 978 CD LYS A 63 94.780 -2.921 -2.307 1.00 0.90 C ATOM 979 CE LYS A 63 95.921 -3.699 -2.966 1.00 1.45 C ATOM 980 NZ LYS A 63 97.105 -3.457 -2.096 1.00 2.11 N ATOM 0 H LYS A 63 93.348 -0.150 -4.530 1.00 0.39 H new ATOM 0 HA LYS A 63 91.982 -2.680 -5.337 1.00 0.38 H new ATOM 0 HB2 LYS A 63 92.168 -1.569 -2.543 1.00 0.41 H new ATOM 0 HB3 LYS A 63 92.370 -3.221 -3.089 1.00 0.41 H new ATOM 0 HG2 LYS A 63 94.526 -2.210 -4.333 1.00 0.46 H new ATOM 0 HG3 LYS A 63 94.381 -0.956 -3.117 1.00 0.46 H new ATOM 0 HD2 LYS A 63 95.160 -2.339 -1.467 1.00 0.90 H new ATOM 0 HD3 LYS A 63 94.038 -3.612 -1.907 1.00 0.90 H new ATOM 0 HE2 LYS A 63 95.689 -4.762 -3.030 1.00 1.45 H new ATOM 0 HE3 LYS A 63 96.101 -3.350 -3.983 1.00 1.45 H new ATOM 0 HZ1 LYS A 63 97.929 -3.959 -2.484 1.00 2.11 H new ATOM 0 HZ2 LYS A 63 97.307 -2.437 -2.060 1.00 2.11 H new ATOM 0 HZ3 LYS A 63 96.907 -3.805 -1.136 1.00 2.11 H new ATOM 994 N TYR A 64 89.686 -2.102 -4.079 1.00 0.33 N ATOM 995 CA TYR A 64 88.303 -1.606 -3.940 1.00 0.30 C ATOM 996 C TYR A 64 87.585 -2.239 -2.748 1.00 0.29 C ATOM 997 O TYR A 64 88.123 -3.055 -2.026 1.00 0.33 O ATOM 998 CB TYR A 64 87.622 -2.032 -5.232 1.00 0.33 C ATOM 999 CG TYR A 64 88.008 -1.105 -6.360 1.00 0.36 C ATOM 1000 CD1 TYR A 64 87.442 0.172 -6.446 1.00 1.26 C ATOM 1001 CD2 TYR A 64 88.926 -1.531 -7.327 1.00 1.28 C ATOM 1002 CE1 TYR A 64 87.797 1.025 -7.498 1.00 1.29 C ATOM 1003 CE2 TYR A 64 89.279 -0.680 -8.380 1.00 1.31 C ATOM 1004 CZ TYR A 64 88.715 0.598 -8.466 1.00 0.56 C ATOM 1005 OH TYR A 64 89.061 1.437 -9.506 1.00 0.69 O ATOM 0 H TYR A 64 89.839 -3.075 -3.813 1.00 0.33 H new ATOM 0 HA TYR A 64 88.282 -0.530 -3.769 1.00 0.30 H new ATOM 0 HB2 TYR A 64 87.905 -3.055 -5.480 1.00 0.33 H new ATOM 0 HB3 TYR A 64 86.540 -2.024 -5.100 1.00 0.33 H new ATOM 0 HD1 TYR A 64 86.732 0.499 -5.701 1.00 1.26 H new ATOM 0 HD2 TYR A 64 89.362 -2.517 -7.260 1.00 1.28 H new ATOM 0 HE1 TYR A 64 87.363 2.012 -7.563 1.00 1.29 H new ATOM 0 HE2 TYR A 64 89.987 -1.009 -9.126 1.00 1.31 H new ATOM 0 HH TYR A 64 89.709 0.987 -10.087 1.00 0.69 H new ATOM 1015 N LEU A 65 86.358 -1.849 -2.558 1.00 0.26 N ATOM 1016 CA LEU A 65 85.535 -2.376 -1.444 1.00 0.25 C ATOM 1017 C LEU A 65 84.057 -2.217 -1.799 1.00 0.26 C ATOM 1018 O LEU A 65 83.705 -1.764 -2.870 1.00 0.28 O ATOM 1019 CB LEU A 65 85.876 -1.491 -0.252 1.00 0.24 C ATOM 1020 CG LEU A 65 86.949 -2.157 0.610 1.00 0.33 C ATOM 1021 CD1 LEU A 65 88.309 -1.518 0.320 1.00 0.43 C ATOM 1022 CD2 LEU A 65 86.604 -1.963 2.088 1.00 0.36 C ATOM 0 H LEU A 65 85.881 -1.167 -3.147 1.00 0.26 H new ATOM 0 HA LEU A 65 85.725 -3.430 -1.240 1.00 0.25 H new ATOM 0 HB2 LEU A 65 86.229 -0.520 -0.600 1.00 0.24 H new ATOM 0 HB3 LEU A 65 84.981 -1.310 0.344 1.00 0.24 H new ATOM 0 HG LEU A 65 86.991 -3.221 0.379 1.00 0.33 H new ATOM 0 HD11 LEU A 65 89.073 -1.994 0.935 1.00 0.43 H new ATOM 0 HD12 LEU A 65 88.556 -1.651 -0.733 1.00 0.43 H new ATOM 0 HD13 LEU A 65 88.268 -0.454 0.551 1.00 0.43 H new ATOM 0 HD21 LEU A 65 87.367 -2.437 2.705 1.00 0.36 H new ATOM 0 HD22 LEU A 65 86.563 -0.898 2.315 1.00 0.36 H new ATOM 0 HD23 LEU A 65 85.635 -2.416 2.298 1.00 0.36 H new ATOM 1034 N HIS A 66 83.199 -2.577 -0.901 1.00 0.27 N ATOM 1035 CA HIS A 66 81.736 -2.451 -1.146 1.00 0.29 C ATOM 1036 C HIS A 66 81.021 -2.485 0.199 1.00 0.29 C ATOM 1037 O HIS A 66 81.014 -3.489 0.872 1.00 0.33 O ATOM 1038 CB HIS A 66 81.379 -3.673 -1.985 1.00 0.34 C ATOM 1039 CG HIS A 66 81.254 -3.271 -3.429 1.00 0.37 C ATOM 1040 ND1 HIS A 66 82.066 -3.803 -4.417 1.00 1.28 N ATOM 1041 CD2 HIS A 66 80.417 -2.389 -4.066 1.00 1.02 C ATOM 1042 CE1 HIS A 66 81.706 -3.241 -5.585 1.00 0.97 C ATOM 1043 NE2 HIS A 66 80.705 -2.371 -5.428 1.00 0.59 N ATOM 0 H HIS A 66 83.448 -2.961 0.011 1.00 0.27 H new ATOM 0 HA HIS A 66 81.452 -1.528 -1.651 1.00 0.29 H new ATOM 0 HB2 HIS A 66 82.146 -4.440 -1.875 1.00 0.34 H new ATOM 0 HB3 HIS A 66 80.442 -4.107 -1.635 1.00 0.34 H new ATOM 0 HD1 HIS A 66 82.803 -4.495 -4.283 1.00 1.28 H new ATOM 0 HD2 HIS A 66 79.652 -1.799 -3.584 1.00 1.02 H new ATOM 0 HE1 HIS A 66 82.170 -3.466 -6.534 1.00 0.97 H new ATOM 1051 N LEU A 67 80.456 -1.407 0.650 1.00 0.27 N ATOM 1052 CA LEU A 67 79.837 -1.477 1.980 1.00 0.27 C ATOM 1053 C LEU A 67 78.406 -0.980 1.953 1.00 0.30 C ATOM 1054 O LEU A 67 77.920 -0.460 0.969 1.00 0.32 O ATOM 1055 CB LEU A 67 80.703 -0.607 2.874 1.00 0.23 C ATOM 1056 CG LEU A 67 82.064 -0.291 2.233 1.00 0.22 C ATOM 1057 CD1 LEU A 67 82.803 0.744 3.083 1.00 0.65 C ATOM 1058 CD2 LEU A 67 82.893 -1.568 2.160 1.00 0.60 C ATOM 0 H LEU A 67 80.399 -0.510 0.168 1.00 0.27 H new ATOM 0 HA LEU A 67 79.786 -2.504 2.342 1.00 0.27 H new ATOM 0 HB2 LEU A 67 80.179 0.324 3.089 1.00 0.23 H new ATOM 0 HB3 LEU A 67 80.860 -1.112 3.827 1.00 0.23 H new ATOM 0 HG LEU A 67 81.910 0.107 1.230 1.00 0.22 H new ATOM 0 HD11 LEU A 67 83.768 0.967 2.627 1.00 0.65 H new ATOM 0 HD12 LEU A 67 82.210 1.657 3.142 1.00 0.65 H new ATOM 0 HD13 LEU A 67 82.959 0.347 4.086 1.00 0.65 H new ATOM 0 HD21 LEU A 67 83.859 -1.349 1.706 1.00 0.60 H new ATOM 0 HD22 LEU A 67 83.045 -1.961 3.165 1.00 0.60 H new ATOM 0 HD23 LEU A 67 82.368 -2.309 1.556 1.00 0.60 H new ATOM 1070 N LYS A 68 77.714 -1.213 3.022 1.00 0.31 N ATOM 1071 CA LYS A 68 76.286 -0.848 3.086 1.00 0.35 C ATOM 1072 C LYS A 68 76.009 0.466 3.803 1.00 0.31 C ATOM 1073 O LYS A 68 76.819 0.994 4.537 1.00 0.28 O ATOM 1074 CB LYS A 68 75.712 -1.951 3.931 1.00 0.42 C ATOM 1075 CG LYS A 68 74.393 -2.422 3.313 1.00 0.51 C ATOM 1076 CD LYS A 68 74.659 -3.608 2.384 1.00 0.73 C ATOM 1077 CE LYS A 68 73.931 -3.389 1.056 1.00 1.14 C ATOM 1078 NZ LYS A 68 72.511 -3.743 1.332 1.00 1.75 N ATOM 0 H LYS A 68 78.085 -1.648 3.867 1.00 0.31 H new ATOM 0 HA LYS A 68 75.876 -0.728 2.083 1.00 0.35 H new ATOM 0 HB2 LYS A 68 76.415 -2.781 3.994 1.00 0.42 H new ATOM 0 HB3 LYS A 68 75.545 -1.597 4.948 1.00 0.42 H new ATOM 0 HG2 LYS A 68 73.694 -2.711 4.098 1.00 0.51 H new ATOM 0 HG3 LYS A 68 73.929 -1.608 2.757 1.00 0.51 H new ATOM 0 HD2 LYS A 68 75.730 -3.715 2.211 1.00 0.73 H new ATOM 0 HD3 LYS A 68 74.318 -4.532 2.850 1.00 0.73 H new ATOM 0 HE2 LYS A 68 74.022 -2.356 0.722 1.00 1.14 H new ATOM 0 HE3 LYS A 68 74.348 -4.017 0.269 1.00 1.14 H new ATOM 0 HZ1 LYS A 68 71.938 -3.569 0.481 1.00 1.75 H new ATOM 0 HZ2 LYS A 68 72.448 -4.748 1.593 1.00 1.75 H new ATOM 0 HZ3 LYS A 68 72.154 -3.159 2.115 1.00 1.75 H new ATOM 1092 N VAL A 69 74.810 0.936 3.625 1.00 0.33 N ATOM 1093 CA VAL A 69 74.338 2.165 4.309 1.00 0.32 C ATOM 1094 C VAL A 69 72.813 2.137 4.280 1.00 0.36 C ATOM 1095 O VAL A 69 72.188 2.789 3.472 1.00 0.39 O ATOM 1096 CB VAL A 69 74.878 3.343 3.506 1.00 0.32 C ATOM 1097 CG1 VAL A 69 74.434 4.645 4.176 1.00 0.35 C ATOM 1098 CG2 VAL A 69 76.406 3.283 3.470 1.00 0.30 C ATOM 0 H VAL A 69 74.117 0.504 3.014 1.00 0.33 H new ATOM 0 HA VAL A 69 74.674 2.241 5.343 1.00 0.32 H new ATOM 0 HB VAL A 69 74.494 3.301 2.487 1.00 0.32 H new ATOM 0 HG11 VAL A 69 74.815 5.494 3.609 1.00 0.35 H new ATOM 0 HG12 VAL A 69 73.345 4.687 4.204 1.00 0.35 H new ATOM 0 HG13 VAL A 69 74.825 4.683 5.193 1.00 0.35 H new ATOM 0 HG21 VAL A 69 76.790 4.126 2.895 1.00 0.30 H new ATOM 0 HG22 VAL A 69 76.796 3.329 4.487 1.00 0.30 H new ATOM 0 HG23 VAL A 69 76.723 2.351 3.002 1.00 0.30 H new ATOM 1108 N PHE A 70 72.210 1.344 5.126 1.00 0.37 N ATOM 1109 CA PHE A 70 70.723 1.229 5.109 1.00 0.41 C ATOM 1110 C PHE A 70 70.058 2.426 5.786 1.00 0.41 C ATOM 1111 O PHE A 70 70.494 2.904 6.815 1.00 0.40 O ATOM 1112 CB PHE A 70 70.418 -0.058 5.877 1.00 0.44 C ATOM 1113 CG PHE A 70 68.928 -0.188 6.085 1.00 0.48 C ATOM 1114 CD1 PHE A 70 68.041 0.155 5.058 1.00 1.33 C ATOM 1115 CD2 PHE A 70 68.433 -0.659 7.308 1.00 1.25 C ATOM 1116 CE1 PHE A 70 66.660 0.028 5.254 1.00 1.36 C ATOM 1117 CE2 PHE A 70 67.052 -0.786 7.503 1.00 1.26 C ATOM 1118 CZ PHE A 70 66.166 -0.443 6.476 1.00 0.56 C ATOM 0 H PHE A 70 72.682 0.772 5.826 1.00 0.37 H new ATOM 0 HA PHE A 70 70.337 1.209 4.090 1.00 0.41 H new ATOM 0 HB2 PHE A 70 70.794 -0.920 5.325 1.00 0.44 H new ATOM 0 HB3 PHE A 70 70.929 -0.048 6.840 1.00 0.44 H new ATOM 0 HD1 PHE A 70 68.421 0.518 4.114 1.00 1.33 H new ATOM 0 HD2 PHE A 70 69.117 -0.924 8.101 1.00 1.25 H new ATOM 0 HE1 PHE A 70 65.976 0.294 4.462 1.00 1.36 H new ATOM 0 HE2 PHE A 70 66.671 -1.149 8.446 1.00 1.26 H new ATOM 0 HZ PHE A 70 65.101 -0.542 6.626 1.00 0.56 H new ATOM 1128 N LYS A 71 68.994 2.902 5.199 1.00 0.46 N ATOM 1129 CA LYS A 71 68.263 4.063 5.772 1.00 0.49 C ATOM 1130 C LYS A 71 66.847 3.633 6.168 1.00 0.51 C ATOM 1131 O LYS A 71 65.949 3.590 5.351 1.00 0.58 O ATOM 1132 CB LYS A 71 68.217 5.090 4.641 1.00 0.54 C ATOM 1133 CG LYS A 71 67.747 6.440 5.185 1.00 0.67 C ATOM 1134 CD LYS A 71 67.664 7.448 4.037 1.00 1.11 C ATOM 1135 CE LYS A 71 66.196 7.708 3.690 1.00 1.52 C ATOM 1136 NZ LYS A 71 65.881 9.025 4.312 1.00 2.24 N ATOM 0 H LYS A 71 68.597 2.530 4.336 1.00 0.46 H new ATOM 0 HA LYS A 71 68.740 4.465 6.666 1.00 0.49 H new ATOM 0 HB2 LYS A 71 69.204 5.193 4.191 1.00 0.54 H new ATOM 0 HB3 LYS A 71 67.542 4.749 3.856 1.00 0.54 H new ATOM 0 HG2 LYS A 71 66.772 6.333 5.661 1.00 0.67 H new ATOM 0 HG3 LYS A 71 68.438 6.798 5.949 1.00 0.67 H new ATOM 0 HD2 LYS A 71 68.152 8.380 4.322 1.00 1.11 H new ATOM 0 HD3 LYS A 71 68.193 7.065 3.164 1.00 1.11 H new ATOM 0 HE2 LYS A 71 66.044 7.735 2.611 1.00 1.52 H new ATOM 0 HE3 LYS A 71 65.552 6.921 4.083 1.00 1.52 H new ATOM 0 HZ1 LYS A 71 64.890 9.273 4.117 1.00 2.24 H new ATOM 0 HZ2 LYS A 71 66.028 8.968 5.340 1.00 2.24 H new ATOM 0 HZ3 LYS A 71 66.505 9.755 3.913 1.00 2.24 H new ATOM 1150 N SER A 72 66.647 3.306 7.415 1.00 0.49 N ATOM 1151 CA SER A 72 65.296 2.869 7.874 1.00 0.54 C ATOM 1152 C SER A 72 64.248 3.951 7.602 1.00 0.55 C ATOM 1153 O SER A 72 64.121 4.444 6.498 1.00 0.64 O ATOM 1154 CB SER A 72 65.460 2.634 9.368 1.00 0.57 C ATOM 1155 OG SER A 72 65.637 3.884 10.004 1.00 1.47 O ATOM 0 H SER A 72 67.364 3.322 8.140 1.00 0.49 H new ATOM 0 HA SER A 72 64.950 1.978 7.350 1.00 0.54 H new ATOM 0 HB2 SER A 72 64.583 2.126 9.770 1.00 0.57 H new ATOM 0 HB3 SER A 72 66.317 1.988 9.558 1.00 0.57 H new ATOM 0 HG SER A 72 66.537 3.931 10.389 1.00 1.47 H new ATOM 1161 N LEU A 73 63.488 4.315 8.594 1.00 0.57 N ATOM 1162 CA LEU A 73 62.443 5.349 8.397 1.00 0.60 C ATOM 1163 C LEU A 73 62.461 6.312 9.581 1.00 0.59 C ATOM 1164 O LEU A 73 63.038 6.022 10.605 1.00 0.61 O ATOM 1165 CB LEU A 73 61.106 4.592 8.334 1.00 0.67 C ATOM 1166 CG LEU A 73 61.292 3.238 7.645 1.00 0.77 C ATOM 1167 CD1 LEU A 73 61.544 2.163 8.701 1.00 1.17 C ATOM 1168 CD2 LEU A 73 60.028 2.889 6.856 1.00 1.19 C ATOM 0 H LEU A 73 63.548 3.936 9.539 1.00 0.57 H new ATOM 0 HA LEU A 73 62.603 5.933 7.490 1.00 0.60 H new ATOM 0 HB2 LEU A 73 60.717 4.444 9.341 1.00 0.67 H new ATOM 0 HB3 LEU A 73 60.370 5.185 7.791 1.00 0.67 H new ATOM 0 HG LEU A 73 62.142 3.289 6.965 1.00 0.77 H new ATOM 0 HD11 LEU A 73 61.677 1.198 8.213 1.00 1.17 H new ATOM 0 HD12 LEU A 73 62.443 2.411 9.265 1.00 1.17 H new ATOM 0 HD13 LEU A 73 60.692 2.112 9.379 1.00 1.17 H new ATOM 0 HD21 LEU A 73 60.160 1.925 6.365 1.00 1.19 H new ATOM 0 HD22 LEU A 73 59.178 2.837 7.536 1.00 1.19 H new ATOM 0 HD23 LEU A 73 59.845 3.657 6.104 1.00 1.19 H new ATOM 1180 N PRO A 74 61.832 7.430 9.396 1.00 0.61 N ATOM 1181 CA PRO A 74 61.782 8.465 10.461 1.00 0.64 C ATOM 1182 C PRO A 74 60.967 7.977 11.649 1.00 0.68 C ATOM 1183 O PRO A 74 61.357 8.097 12.794 1.00 1.25 O ATOM 1184 CB PRO A 74 61.076 9.631 9.779 1.00 0.69 C ATOM 1185 CG PRO A 74 60.285 9.006 8.678 1.00 0.72 C ATOM 1186 CD PRO A 74 61.096 7.837 8.197 1.00 0.67 C ATOM 0 HA PRO A 74 62.766 8.722 10.852 1.00 0.64 H new ATOM 0 HB2 PRO A 74 60.430 10.165 10.476 1.00 0.69 H new ATOM 0 HB3 PRO A 74 61.792 10.355 9.390 1.00 0.69 H new ATOM 0 HG2 PRO A 74 59.308 8.682 9.035 1.00 0.72 H new ATOM 0 HG3 PRO A 74 60.110 9.718 7.871 1.00 0.72 H new ATOM 0 HD2 PRO A 74 60.462 7.034 7.821 1.00 0.67 H new ATOM 0 HD3 PRO A 74 61.769 8.119 7.387 1.00 0.67 H new ATOM 1194 N GLY A 75 59.825 7.454 11.364 1.00 0.87 N ATOM 1195 CA GLY A 75 58.913 6.963 12.439 1.00 0.89 C ATOM 1196 C GLY A 75 59.597 5.951 13.365 1.00 0.89 C ATOM 1197 O GLY A 75 59.050 5.583 14.386 1.00 0.94 O ATOM 0 H GLY A 75 59.467 7.338 10.416 1.00 0.87 H new ATOM 0 HA2 GLY A 75 58.560 7.810 13.028 1.00 0.89 H new ATOM 0 HA3 GLY A 75 58.036 6.502 11.985 1.00 0.89 H new ATOM 1201 N GLN A 76 60.766 5.485 13.039 1.00 0.85 N ATOM 1202 CA GLN A 76 61.419 4.492 13.946 1.00 0.86 C ATOM 1203 C GLN A 76 62.922 4.764 14.121 1.00 0.75 C ATOM 1204 O GLN A 76 63.336 5.356 15.099 1.00 0.78 O ATOM 1205 CB GLN A 76 61.170 3.128 13.293 1.00 0.93 C ATOM 1206 CG GLN A 76 60.537 2.185 14.320 1.00 1.34 C ATOM 1207 CD GLN A 76 59.102 1.861 13.903 1.00 1.61 C ATOM 1208 OE1 GLN A 76 58.173 2.531 14.307 1.00 2.38 O ATOM 1209 NE2 GLN A 76 58.879 0.851 13.106 1.00 1.76 N ATOM 0 H GLN A 76 61.293 5.738 12.203 1.00 0.85 H new ATOM 0 HA GLN A 76 61.004 4.546 14.953 1.00 0.86 H new ATOM 0 HB2 GLN A 76 60.513 3.239 12.430 1.00 0.93 H new ATOM 0 HB3 GLN A 76 62.108 2.710 12.928 1.00 0.93 H new ATOM 0 HG2 GLN A 76 61.121 1.267 14.394 1.00 1.34 H new ATOM 0 HG3 GLN A 76 60.544 2.648 15.307 1.00 1.34 H new ATOM 0 HE21 GLN A 76 59.659 0.288 12.766 1.00 1.76 H new ATOM 0 HE22 GLN A 76 57.925 0.625 12.823 1.00 1.76 H new ATOM 1218 N ASN A 77 63.746 4.309 13.215 1.00 0.68 N ATOM 1219 CA ASN A 77 65.209 4.512 13.372 1.00 0.64 C ATOM 1220 C ASN A 77 65.819 5.200 12.148 1.00 0.56 C ATOM 1221 O ASN A 77 66.870 4.814 11.680 1.00 0.52 O ATOM 1222 CB ASN A 77 65.753 3.099 13.511 1.00 0.65 C ATOM 1223 CG ASN A 77 65.333 2.263 12.301 1.00 0.60 C ATOM 1224 OD1 ASN A 77 64.219 2.372 11.828 1.00 1.26 O ATOM 1225 ND2 ASN A 77 66.183 1.424 11.777 1.00 1.16 N ATOM 0 H ASN A 77 63.465 3.806 12.373 1.00 0.68 H new ATOM 0 HA ASN A 77 65.447 5.154 14.220 1.00 0.64 H new ATOM 0 HB2 ASN A 77 66.840 3.124 13.588 1.00 0.65 H new ATOM 0 HB3 ASN A 77 65.378 2.643 14.428 1.00 0.65 H new ATOM 0 HD21 ASN A 77 65.912 0.860 10.971 1.00 1.16 H new ATOM 0 HD22 ASN A 77 67.118 1.332 12.173 1.00 1.16 H new ATOM 1232 N GLU A 78 65.156 6.210 11.646 1.00 0.59 N ATOM 1233 CA GLU A 78 65.623 6.978 10.465 1.00 0.59 C ATOM 1234 C GLU A 78 67.127 6.875 10.277 1.00 0.51 C ATOM 1235 O GLU A 78 67.627 6.750 9.178 1.00 0.52 O ATOM 1236 CB GLU A 78 65.179 8.398 10.819 1.00 0.67 C ATOM 1237 CG GLU A 78 66.314 9.256 11.408 1.00 0.67 C ATOM 1238 CD GLU A 78 66.403 9.018 12.917 1.00 1.12 C ATOM 1239 OE1 GLU A 78 66.149 7.901 13.336 1.00 1.78 O ATOM 1240 OE2 GLU A 78 66.723 9.957 13.628 1.00 1.65 O ATOM 0 H GLU A 78 64.271 6.543 12.029 1.00 0.59 H new ATOM 0 HA GLU A 78 65.220 6.618 9.518 1.00 0.59 H new ATOM 0 HB2 GLU A 78 64.790 8.885 9.924 1.00 0.67 H new ATOM 0 HB3 GLU A 78 64.360 8.348 11.536 1.00 0.67 H new ATOM 0 HG2 GLU A 78 67.261 9.001 10.932 1.00 0.67 H new ATOM 0 HG3 GLU A 78 66.129 10.311 11.206 1.00 0.67 H new ATOM 1247 N ASP A 79 67.833 6.938 11.350 1.00 0.48 N ATOM 1248 CA ASP A 79 69.318 6.845 11.279 1.00 0.47 C ATOM 1249 C ASP A 79 69.724 5.755 10.282 1.00 0.43 C ATOM 1250 O ASP A 79 68.908 4.982 9.820 1.00 0.43 O ATOM 1251 CB ASP A 79 69.770 6.482 12.686 1.00 0.49 C ATOM 1252 CG ASP A 79 69.342 7.581 13.662 1.00 0.53 C ATOM 1253 OD1 ASP A 79 70.006 8.605 13.697 1.00 1.12 O ATOM 1254 OD2 ASP A 79 68.361 7.381 14.357 1.00 1.29 O ATOM 0 H ASP A 79 67.452 7.051 12.289 1.00 0.48 H new ATOM 0 HA ASP A 79 69.774 7.776 10.942 1.00 0.47 H new ATOM 0 HB2 ASP A 79 69.335 5.528 12.984 1.00 0.49 H new ATOM 0 HB3 ASP A 79 70.853 6.361 12.711 1.00 0.49 H new ATOM 1259 N LEU A 80 70.976 5.692 9.937 1.00 0.44 N ATOM 1260 CA LEU A 80 71.425 4.667 8.954 1.00 0.42 C ATOM 1261 C LEU A 80 71.907 3.395 9.657 1.00 0.42 C ATOM 1262 O LEU A 80 72.028 3.343 10.864 1.00 0.47 O ATOM 1263 CB LEU A 80 72.575 5.334 8.196 1.00 0.42 C ATOM 1264 CG LEU A 80 72.093 6.635 7.535 1.00 0.48 C ATOM 1265 CD1 LEU A 80 70.666 6.464 7.004 1.00 0.63 C ATOM 1266 CD2 LEU A 80 72.121 7.769 8.564 1.00 0.57 C ATOM 0 H LEU A 80 71.710 6.305 10.292 1.00 0.44 H new ATOM 0 HA LEU A 80 70.615 4.357 8.294 1.00 0.42 H new ATOM 0 HB2 LEU A 80 73.395 5.548 8.881 1.00 0.42 H new ATOM 0 HB3 LEU A 80 72.962 4.654 7.437 1.00 0.42 H new ATOM 0 HG LEU A 80 72.754 6.875 6.702 1.00 0.48 H new ATOM 0 HD11 LEU A 80 70.337 7.393 6.538 1.00 0.63 H new ATOM 0 HD12 LEU A 80 70.646 5.662 6.267 1.00 0.63 H new ATOM 0 HD13 LEU A 80 69.998 6.215 7.829 1.00 0.63 H new ATOM 0 HD21 LEU A 80 71.779 8.693 8.097 1.00 0.57 H new ATOM 0 HD22 LEU A 80 71.465 7.520 9.398 1.00 0.57 H new ATOM 0 HD23 LEU A 80 73.139 7.903 8.931 1.00 0.57 H new ATOM 1278 N VAL A 81 72.181 2.368 8.896 1.00 0.42 N ATOM 1279 CA VAL A 81 72.654 1.088 9.498 1.00 0.46 C ATOM 1280 C VAL A 81 73.356 0.233 8.437 1.00 0.46 C ATOM 1281 O VAL A 81 72.934 0.163 7.301 1.00 0.69 O ATOM 1282 CB VAL A 81 71.387 0.394 9.998 1.00 0.51 C ATOM 1283 CG1 VAL A 81 71.683 -1.084 10.260 1.00 0.59 C ATOM 1284 CG2 VAL A 81 70.925 1.061 11.296 1.00 0.52 C ATOM 0 H VAL A 81 72.097 2.361 7.879 1.00 0.42 H new ATOM 0 HA VAL A 81 73.373 1.248 10.301 1.00 0.46 H new ATOM 0 HB VAL A 81 70.603 0.477 9.245 1.00 0.51 H new ATOM 0 HG11 VAL A 81 70.779 -1.578 10.617 1.00 0.59 H new ATOM 0 HG12 VAL A 81 72.016 -1.558 9.336 1.00 0.59 H new ATOM 0 HG13 VAL A 81 72.465 -1.170 11.014 1.00 0.59 H new ATOM 0 HG21 VAL A 81 70.021 0.569 11.656 1.00 0.52 H new ATOM 0 HG22 VAL A 81 71.709 0.975 12.048 1.00 0.52 H new ATOM 0 HG23 VAL A 81 70.715 2.114 11.109 1.00 0.52 H new ATOM 1294 N LEU A 82 74.431 -0.410 8.799 1.00 0.40 N ATOM 1295 CA LEU A 82 75.170 -1.253 7.820 1.00 0.42 C ATOM 1296 C LEU A 82 74.560 -2.652 7.737 1.00 0.44 C ATOM 1297 O LEU A 82 74.484 -3.371 8.714 1.00 0.47 O ATOM 1298 CB LEU A 82 76.598 -1.285 8.378 1.00 0.44 C ATOM 1299 CG LEU A 82 77.301 -2.612 8.058 1.00 0.57 C ATOM 1300 CD1 LEU A 82 77.868 -2.562 6.640 1.00 0.93 C ATOM 1301 CD2 LEU A 82 78.437 -2.826 9.057 1.00 0.88 C ATOM 0 H LEU A 82 74.831 -0.387 9.737 1.00 0.40 H new ATOM 0 HA LEU A 82 75.133 -0.864 6.802 1.00 0.42 H new ATOM 0 HB2 LEU A 82 77.172 -0.458 7.959 1.00 0.44 H new ATOM 0 HB3 LEU A 82 76.571 -1.138 9.458 1.00 0.44 H new ATOM 0 HG LEU A 82 76.588 -3.434 8.129 1.00 0.57 H new ATOM 0 HD11 LEU A 82 78.367 -3.505 6.414 1.00 0.93 H new ATOM 0 HD12 LEU A 82 77.057 -2.401 5.929 1.00 0.93 H new ATOM 0 HD13 LEU A 82 78.585 -1.745 6.563 1.00 0.93 H new ATOM 0 HD21 LEU A 82 78.942 -3.767 8.837 1.00 0.88 H new ATOM 0 HD22 LEU A 82 79.149 -2.005 8.979 1.00 0.88 H new ATOM 0 HD23 LEU A 82 78.031 -2.860 10.068 1.00 0.88 H new ATOM 1313 N THR A 83 74.143 -3.046 6.569 1.00 0.46 N ATOM 1314 CA THR A 83 73.558 -4.402 6.406 1.00 0.51 C ATOM 1315 C THR A 83 74.639 -5.406 5.980 1.00 0.52 C ATOM 1316 O THR A 83 74.469 -6.601 6.120 1.00 0.59 O ATOM 1317 CB THR A 83 72.491 -4.253 5.321 1.00 0.56 C ATOM 1318 OG1 THR A 83 72.012 -2.915 5.310 1.00 0.76 O ATOM 1319 CG2 THR A 83 71.332 -5.209 5.605 1.00 0.77 C ATOM 0 H THR A 83 74.182 -2.485 5.718 1.00 0.46 H new ATOM 0 HA THR A 83 73.134 -4.780 7.336 1.00 0.51 H new ATOM 0 HB THR A 83 72.925 -4.492 4.350 1.00 0.56 H new ATOM 0 HG1 THR A 83 71.536 -2.731 6.147 1.00 0.76 H new ATOM 0 HG21 THR A 83 70.573 -5.101 4.830 1.00 0.77 H new ATOM 0 HG22 THR A 83 71.700 -6.235 5.612 1.00 0.77 H new ATOM 0 HG23 THR A 83 70.896 -4.974 6.576 1.00 0.77 H new ATOM 1327 N GLY A 84 75.755 -4.942 5.467 1.00 0.47 N ATOM 1328 CA GLY A 84 76.826 -5.896 5.050 1.00 0.49 C ATOM 1329 C GLY A 84 77.833 -5.162 4.177 1.00 0.42 C ATOM 1330 O GLY A 84 77.495 -4.248 3.455 1.00 0.39 O ATOM 0 H GLY A 84 75.967 -3.955 5.321 1.00 0.47 H new ATOM 0 HA2 GLY A 84 77.321 -6.312 5.927 1.00 0.49 H new ATOM 0 HA3 GLY A 84 76.392 -6.732 4.502 1.00 0.49 H new ATOM 1334 N TYR A 85 79.073 -5.525 4.232 1.00 0.42 N ATOM 1335 CA TYR A 85 80.043 -4.793 3.401 1.00 0.36 C ATOM 1336 C TYR A 85 81.039 -5.719 2.700 1.00 0.36 C ATOM 1337 O TYR A 85 80.807 -6.900 2.537 1.00 0.42 O ATOM 1338 CB TYR A 85 80.733 -3.861 4.379 1.00 0.32 C ATOM 1339 CG TYR A 85 81.172 -4.623 5.609 1.00 0.40 C ATOM 1340 CD1 TYR A 85 82.060 -5.703 5.496 1.00 1.31 C ATOM 1341 CD2 TYR A 85 80.694 -4.243 6.868 1.00 1.28 C ATOM 1342 CE1 TYR A 85 82.464 -6.400 6.642 1.00 1.38 C ATOM 1343 CE2 TYR A 85 81.098 -4.939 8.013 1.00 1.32 C ATOM 1344 CZ TYR A 85 81.983 -6.017 7.900 1.00 0.67 C ATOM 1345 OH TYR A 85 82.382 -6.702 9.029 1.00 0.82 O ATOM 0 H TYR A 85 79.450 -6.281 4.804 1.00 0.42 H new ATOM 0 HA TYR A 85 79.556 -4.262 2.583 1.00 0.36 H new ATOM 0 HB2 TYR A 85 81.597 -3.397 3.902 1.00 0.32 H new ATOM 0 HB3 TYR A 85 80.056 -3.056 4.664 1.00 0.32 H new ATOM 0 HD1 TYR A 85 82.432 -5.997 4.526 1.00 1.31 H new ATOM 0 HD2 TYR A 85 80.012 -3.411 6.956 1.00 1.28 H new ATOM 0 HE1 TYR A 85 83.146 -7.233 6.555 1.00 1.38 H new ATOM 0 HE2 TYR A 85 80.727 -4.644 8.983 1.00 1.32 H new ATOM 0 HH TYR A 85 82.998 -7.421 8.775 1.00 0.82 H new ATOM 1355 N GLN A 86 82.126 -5.161 2.240 1.00 0.33 N ATOM 1356 CA GLN A 86 83.129 -5.955 1.494 1.00 0.34 C ATOM 1357 C GLN A 86 84.513 -5.316 1.626 1.00 0.32 C ATOM 1358 O GLN A 86 84.634 -4.142 1.919 1.00 0.29 O ATOM 1359 CB GLN A 86 82.633 -5.842 0.066 1.00 0.35 C ATOM 1360 CG GLN A 86 81.808 -7.083 -0.290 1.00 0.43 C ATOM 1361 CD GLN A 86 80.425 -6.663 -0.794 1.00 0.97 C ATOM 1362 OE1 GLN A 86 79.790 -5.695 -0.194 1.00 1.83 O flip ATOM 1363 NE2 GLN A 86 79.916 -7.227 -1.742 1.00 1.16 N flip ATOM 0 H GLN A 86 82.360 -4.175 2.354 1.00 0.33 H new ATOM 0 HA GLN A 86 83.229 -6.982 1.846 1.00 0.34 H new ATOM 0 HB2 GLN A 86 82.026 -4.944 -0.049 1.00 0.35 H new ATOM 0 HB3 GLN A 86 83.477 -5.746 -0.617 1.00 0.35 H new ATOM 0 HG2 GLN A 86 82.322 -7.665 -1.055 1.00 0.43 H new ATOM 0 HG3 GLN A 86 81.706 -7.726 0.584 1.00 0.43 H new ATOM 0 HE21 GLN A 86 80.412 -7.984 -2.212 1.00 1.16 H new ATOM 0 HE22 GLN A 86 78.992 -6.943 -2.068 1.00 1.16 H new ATOM 1372 N VAL A 87 85.556 -6.072 1.411 1.00 0.34 N ATOM 1373 CA VAL A 87 86.917 -5.515 1.532 1.00 0.34 C ATOM 1374 C VAL A 87 87.608 -5.474 0.170 1.00 0.34 C ATOM 1375 O VAL A 87 87.099 -4.932 -0.789 1.00 0.32 O ATOM 1376 CB VAL A 87 87.613 -6.486 2.482 1.00 0.39 C ATOM 1377 CG1 VAL A 87 86.878 -6.510 3.824 1.00 1.36 C ATOM 1378 CG2 VAL A 87 87.600 -7.889 1.868 1.00 1.43 C ATOM 0 H VAL A 87 85.514 -7.058 1.155 1.00 0.34 H new ATOM 0 HA VAL A 87 86.932 -4.488 1.897 1.00 0.34 H new ATOM 0 HB VAL A 87 88.642 -6.164 2.641 1.00 0.39 H new ATOM 0 HG11 VAL A 87 87.377 -7.204 4.500 1.00 1.36 H new ATOM 0 HG12 VAL A 87 86.884 -5.511 4.260 1.00 1.36 H new ATOM 0 HG13 VAL A 87 85.848 -6.832 3.669 1.00 1.36 H new ATOM 0 HG21 VAL A 87 88.096 -8.586 2.543 1.00 1.43 H new ATOM 0 HG22 VAL A 87 86.570 -8.208 1.710 1.00 1.43 H new ATOM 0 HG23 VAL A 87 88.125 -7.873 0.913 1.00 1.43 H new ATOM 1388 N ASP A 88 88.769 -6.032 0.090 1.00 0.38 N ATOM 1389 CA ASP A 88 89.533 -6.026 -1.190 1.00 0.40 C ATOM 1390 C ASP A 88 88.844 -6.881 -2.253 1.00 0.41 C ATOM 1391 O ASP A 88 89.459 -7.728 -2.872 1.00 0.46 O ATOM 1392 CB ASP A 88 90.899 -6.615 -0.837 1.00 0.47 C ATOM 1393 CG ASP A 88 91.760 -5.543 -0.169 1.00 0.53 C ATOM 1394 OD1 ASP A 88 91.193 -4.618 0.389 1.00 1.24 O ATOM 1395 OD2 ASP A 88 92.972 -5.664 -0.227 1.00 1.18 O ATOM 0 H ASP A 88 89.237 -6.502 0.865 1.00 0.38 H new ATOM 0 HA ASP A 88 89.607 -5.022 -1.607 1.00 0.40 H new ATOM 0 HB2 ASP A 88 90.777 -7.467 -0.169 1.00 0.47 H new ATOM 0 HB3 ASP A 88 91.392 -6.983 -1.737 1.00 0.47 H new ATOM 1400 N LYS A 89 87.583 -6.659 -2.494 1.00 0.39 N ATOM 1401 CA LYS A 89 86.890 -7.454 -3.541 1.00 0.45 C ATOM 1402 C LYS A 89 87.518 -7.127 -4.897 1.00 0.53 C ATOM 1403 O LYS A 89 88.631 -6.646 -4.968 1.00 0.63 O ATOM 1404 CB LYS A 89 85.428 -7.006 -3.488 1.00 0.43 C ATOM 1405 CG LYS A 89 84.816 -7.394 -2.137 1.00 0.43 C ATOM 1406 CD LYS A 89 85.139 -8.857 -1.820 1.00 0.53 C ATOM 1407 CE LYS A 89 84.468 -9.257 -0.503 1.00 0.84 C ATOM 1408 NZ LYS A 89 83.794 -10.554 -0.792 1.00 1.40 N ATOM 0 H LYS A 89 87.007 -5.967 -2.015 1.00 0.39 H new ATOM 0 HA LYS A 89 86.971 -8.530 -3.389 1.00 0.45 H new ATOM 0 HB2 LYS A 89 85.363 -5.927 -3.631 1.00 0.43 H new ATOM 0 HB3 LYS A 89 84.866 -7.469 -4.299 1.00 0.43 H new ATOM 0 HG2 LYS A 89 85.207 -6.748 -1.351 1.00 0.43 H new ATOM 0 HG3 LYS A 89 83.736 -7.248 -2.162 1.00 0.43 H new ATOM 0 HD2 LYS A 89 84.790 -9.500 -2.628 1.00 0.53 H new ATOM 0 HD3 LYS A 89 86.218 -8.994 -1.747 1.00 0.53 H new ATOM 0 HE2 LYS A 89 85.201 -9.363 0.297 1.00 0.84 H new ATOM 0 HE3 LYS A 89 83.750 -8.503 -0.181 1.00 0.84 H new ATOM 0 HZ1 LYS A 89 83.311 -10.893 0.065 1.00 1.40 H new ATOM 0 HZ2 LYS A 89 83.097 -10.421 -1.553 1.00 1.40 H new ATOM 0 HZ3 LYS A 89 84.503 -11.255 -1.090 1.00 1.40 H new ATOM 1422 N ASN A 90 86.829 -7.377 -5.971 1.00 0.63 N ATOM 1423 CA ASN A 90 87.420 -7.068 -7.302 1.00 0.75 C ATOM 1424 C ASN A 90 86.389 -6.374 -8.195 1.00 0.76 C ATOM 1425 O ASN A 90 85.342 -5.957 -7.742 1.00 0.75 O ATOM 1426 CB ASN A 90 87.814 -8.426 -7.884 1.00 0.87 C ATOM 1427 CG ASN A 90 89.339 -8.559 -7.896 1.00 1.29 C ATOM 1428 OD1 ASN A 90 89.915 -8.974 -8.882 1.00 2.08 O ATOM 1429 ND2 ASN A 90 90.024 -8.224 -6.835 1.00 1.62 N ATOM 0 H ASN A 90 85.891 -7.778 -5.988 1.00 0.63 H new ATOM 0 HA ASN A 90 88.273 -6.394 -7.228 1.00 0.75 H new ATOM 0 HB2 ASN A 90 87.374 -9.228 -7.291 1.00 0.87 H new ATOM 0 HB3 ASN A 90 87.423 -8.526 -8.896 1.00 0.87 H new ATOM 0 HD21 ASN A 90 91.040 -8.311 -6.836 1.00 1.62 H new ATOM 0 HD22 ASN A 90 89.542 -7.875 -6.006 1.00 1.62 H new ATOM 1436 N LYS A 91 86.682 -6.245 -9.459 1.00 0.86 N ATOM 1437 CA LYS A 91 85.725 -5.575 -10.385 1.00 0.94 C ATOM 1438 C LYS A 91 84.691 -6.582 -10.896 1.00 0.99 C ATOM 1439 O LYS A 91 83.545 -6.248 -11.123 1.00 1.07 O ATOM 1440 CB LYS A 91 86.591 -5.062 -11.535 1.00 1.07 C ATOM 1441 CG LYS A 91 86.156 -3.645 -11.913 1.00 1.18 C ATOM 1442 CD LYS A 91 86.687 -3.306 -13.306 1.00 1.63 C ATOM 1443 CE LYS A 91 87.992 -2.517 -13.178 1.00 2.05 C ATOM 1444 NZ LYS A 91 88.802 -2.920 -14.362 1.00 2.49 N ATOM 0 H LYS A 91 87.544 -6.575 -9.892 1.00 0.86 H new ATOM 0 HA LYS A 91 85.170 -4.772 -9.901 1.00 0.94 H new ATOM 0 HB2 LYS A 91 87.641 -5.065 -11.242 1.00 1.07 H new ATOM 0 HB3 LYS A 91 86.498 -5.724 -12.396 1.00 1.07 H new ATOM 0 HG2 LYS A 91 85.069 -3.570 -11.898 1.00 1.18 H new ATOM 0 HG3 LYS A 91 86.535 -2.929 -11.183 1.00 1.18 H new ATOM 0 HD2 LYS A 91 86.857 -4.220 -13.874 1.00 1.63 H new ATOM 0 HD3 LYS A 91 85.949 -2.722 -13.856 1.00 1.63 H new ATOM 0 HE2 LYS A 91 87.805 -1.443 -13.174 1.00 2.05 H new ATOM 0 HE3 LYS A 91 88.507 -2.754 -12.247 1.00 2.05 H new ATOM 0 HZ1 LYS A 91 89.714 -2.420 -14.345 1.00 2.49 H new ATOM 0 HZ2 LYS A 91 88.969 -3.946 -14.335 1.00 2.49 H new ATOM 0 HZ3 LYS A 91 88.289 -2.675 -15.233 1.00 2.49 H new ATOM 1458 N ASP A 92 85.090 -7.809 -11.081 1.00 0.99 N ATOM 1459 CA ASP A 92 84.155 -8.840 -11.577 1.00 1.10 C ATOM 1460 C ASP A 92 83.543 -9.621 -10.409 1.00 0.94 C ATOM 1461 O ASP A 92 83.133 -10.755 -10.557 1.00 0.96 O ATOM 1462 CB ASP A 92 85.047 -9.739 -12.418 1.00 1.27 C ATOM 1463 CG ASP A 92 84.835 -9.439 -13.903 1.00 1.55 C ATOM 1464 OD1 ASP A 92 83.754 -8.990 -14.249 1.00 2.10 O ATOM 1465 OD2 ASP A 92 85.757 -9.664 -14.669 1.00 1.84 O ATOM 0 H ASP A 92 86.039 -8.140 -10.905 1.00 0.99 H new ATOM 0 HA ASP A 92 83.315 -8.427 -12.135 1.00 1.10 H new ATOM 0 HB2 ASP A 92 86.092 -9.581 -12.152 1.00 1.27 H new ATOM 0 HB3 ASP A 92 84.820 -10.785 -12.213 1.00 1.27 H new ATOM 1470 N ASP A 93 83.476 -9.024 -9.250 1.00 0.85 N ATOM 1471 CA ASP A 93 82.895 -9.718 -8.083 1.00 0.78 C ATOM 1472 C ASP A 93 81.367 -9.623 -8.112 1.00 0.92 C ATOM 1473 O ASP A 93 80.793 -8.986 -8.973 1.00 1.10 O ATOM 1474 CB ASP A 93 83.469 -8.948 -6.902 1.00 0.67 C ATOM 1475 CG ASP A 93 84.615 -9.743 -6.275 1.00 0.69 C ATOM 1476 OD1 ASP A 93 85.516 -10.121 -7.005 1.00 1.25 O ATOM 1477 OD2 ASP A 93 84.572 -9.962 -5.075 1.00 1.36 O ATOM 0 H ASP A 93 83.804 -8.076 -9.068 1.00 0.85 H new ATOM 0 HA ASP A 93 83.128 -10.782 -8.049 1.00 0.78 H new ATOM 0 HB2 ASP A 93 83.828 -7.973 -7.231 1.00 0.67 H new ATOM 0 HB3 ASP A 93 82.691 -8.767 -6.161 1.00 0.67 H new ATOM 1482 N GLU A 94 80.705 -10.248 -7.178 1.00 0.93 N ATOM 1483 CA GLU A 94 79.216 -10.188 -7.154 1.00 1.15 C ATOM 1484 C GLU A 94 78.751 -9.201 -6.081 1.00 1.03 C ATOM 1485 O GLU A 94 79.495 -8.847 -5.189 1.00 1.23 O ATOM 1486 CB GLU A 94 78.764 -11.607 -6.814 1.00 1.35 C ATOM 1487 CG GLU A 94 77.305 -11.791 -7.236 1.00 1.71 C ATOM 1488 CD GLU A 94 77.182 -13.024 -8.133 1.00 2.20 C ATOM 1489 OE1 GLU A 94 77.887 -13.083 -9.126 1.00 2.66 O ATOM 1490 OE2 GLU A 94 76.382 -13.888 -7.811 1.00 2.79 O ATOM 0 H GLU A 94 81.130 -10.797 -6.431 1.00 0.93 H new ATOM 0 HA GLU A 94 78.799 -9.849 -8.102 1.00 1.15 H new ATOM 0 HB2 GLU A 94 79.396 -12.334 -7.324 1.00 1.35 H new ATOM 0 HB3 GLU A 94 78.870 -11.788 -5.744 1.00 1.35 H new ATOM 0 HG2 GLU A 94 76.673 -11.905 -6.355 1.00 1.71 H new ATOM 0 HG3 GLU A 94 76.955 -10.906 -7.767 1.00 1.71 H new ATOM 1497 N LEU A 95 77.532 -8.746 -6.164 1.00 1.13 N ATOM 1498 CA LEU A 95 77.034 -7.774 -5.150 1.00 1.02 C ATOM 1499 C LEU A 95 75.720 -8.258 -4.536 1.00 1.13 C ATOM 1500 O LEU A 95 75.421 -7.983 -3.391 1.00 1.16 O ATOM 1501 CB LEU A 95 76.815 -6.482 -5.932 1.00 1.10 C ATOM 1502 CG LEU A 95 78.108 -5.668 -5.936 1.00 0.99 C ATOM 1503 CD1 LEU A 95 78.096 -4.693 -7.115 1.00 1.13 C ATOM 1504 CD2 LEU A 95 78.218 -4.886 -4.626 1.00 0.93 C ATOM 0 H LEU A 95 76.861 -9.004 -6.887 1.00 1.13 H new ATOM 0 HA LEU A 95 77.733 -7.646 -4.323 1.00 1.02 H new ATOM 0 HB2 LEU A 95 76.512 -6.709 -6.954 1.00 1.10 H new ATOM 0 HB3 LEU A 95 76.009 -5.903 -5.481 1.00 1.10 H new ATOM 0 HG LEU A 95 78.961 -6.340 -6.032 1.00 0.99 H new ATOM 0 HD11 LEU A 95 79.019 -4.113 -7.117 1.00 1.13 H new ATOM 0 HD12 LEU A 95 78.016 -5.251 -8.048 1.00 1.13 H new ATOM 0 HD13 LEU A 95 77.244 -4.019 -7.021 1.00 1.13 H new ATOM 0 HD21 LEU A 95 79.140 -4.304 -4.626 1.00 0.93 H new ATOM 0 HD22 LEU A 95 77.365 -4.214 -4.530 1.00 0.93 H new ATOM 0 HD23 LEU A 95 78.228 -5.582 -3.787 1.00 0.93 H new ATOM 1516 N THR A 96 74.931 -8.971 -5.289 1.00 1.32 N ATOM 1517 CA THR A 96 73.634 -9.466 -4.749 1.00 1.50 C ATOM 1518 C THR A 96 73.848 -10.743 -3.933 1.00 1.64 C ATOM 1519 O THR A 96 74.965 -11.166 -3.705 1.00 1.86 O ATOM 1520 CB THR A 96 72.779 -9.753 -5.982 1.00 1.75 C ATOM 1521 OG1 THR A 96 73.318 -9.061 -7.101 1.00 2.31 O ATOM 1522 CG2 THR A 96 71.346 -9.283 -5.731 1.00 2.13 C ATOM 0 H THR A 96 75.128 -9.233 -6.255 1.00 1.32 H new ATOM 0 HA THR A 96 73.162 -8.744 -4.083 1.00 1.50 H new ATOM 0 HB THR A 96 72.777 -10.824 -6.183 1.00 1.75 H new ATOM 0 HG1 THR A 96 72.772 -9.245 -7.894 1.00 2.31 H new ATOM 0 HG21 THR A 96 70.736 -9.488 -6.611 1.00 2.13 H new ATOM 0 HG22 THR A 96 70.934 -9.814 -4.873 1.00 2.13 H new ATOM 0 HG23 THR A 96 71.344 -8.212 -5.530 1.00 2.13 H new ATOM 1530 N GLY A 97 72.787 -11.360 -3.488 1.00 1.65 N ATOM 1531 CA GLY A 97 72.933 -12.606 -2.684 1.00 1.87 C ATOM 1532 C GLY A 97 74.033 -12.406 -1.639 1.00 1.26 C ATOM 1533 O GLY A 97 74.766 -13.317 -1.310 1.00 1.18 O ATOM 0 H GLY A 97 71.827 -11.055 -3.646 1.00 1.65 H new ATOM 0 HA2 GLY A 97 71.990 -12.849 -2.194 1.00 1.87 H new ATOM 0 HA3 GLY A 97 73.181 -13.445 -3.334 1.00 1.87 H new ATOM 1537 N PHE A 98 74.153 -11.215 -1.118 1.00 1.39 N ATOM 1538 CA PHE A 98 75.206 -10.944 -0.096 1.00 1.68 C ATOM 1539 C PHE A 98 74.611 -10.135 1.065 1.00 2.60 C ATOM 1540 O PHE A 98 73.813 -9.252 0.798 1.00 3.27 O ATOM 1541 CB PHE A 98 76.279 -10.148 -0.858 1.00 1.54 C ATOM 1542 CG PHE A 98 76.941 -9.131 0.046 1.00 1.12 C ATOM 1543 CD1 PHE A 98 76.256 -7.963 0.402 1.00 1.61 C ATOM 1544 CD2 PHE A 98 78.240 -9.351 0.520 1.00 1.46 C ATOM 1545 CE1 PHE A 98 76.868 -7.016 1.231 1.00 1.45 C ATOM 1546 CE2 PHE A 98 78.853 -8.404 1.348 1.00 1.32 C ATOM 1547 CZ PHE A 98 78.166 -7.236 1.704 1.00 0.62 C ATOM 1548 OXT PHE A 98 74.969 -10.412 2.198 1.00 3.03 O ATOM 0 H PHE A 98 73.566 -10.416 -1.356 1.00 1.39 H new ATOM 0 HA PHE A 98 75.621 -11.849 0.349 1.00 1.68 H new ATOM 0 HB2 PHE A 98 77.030 -10.831 -1.255 1.00 1.54 H new ATOM 0 HB3 PHE A 98 75.825 -9.642 -1.710 1.00 1.54 H new ATOM 0 HD1 PHE A 98 75.254 -7.793 0.036 1.00 1.61 H new ATOM 0 HD2 PHE A 98 78.769 -10.252 0.246 1.00 1.46 H new ATOM 0 HE1 PHE A 98 76.338 -6.116 1.505 1.00 1.45 H new ATOM 0 HE2 PHE A 98 79.855 -8.573 1.713 1.00 1.32 H new ATOM 0 HZ PHE A 98 78.639 -6.505 2.344 1.00 0.62 H new TER 1558 PHE A 98 END