USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 632 hydrogens (0 hets) HEADER TOXIN 12-JUN-00 1F53 TITLE NMR STRUCTURE OF KILLER TOXIN-LIKE PROTEIN SKLP COMPND MOL_ID: 1; COMPND 2 MOLECULE: YEAST KILLER TOXIN-LIKE PROTEIN; COMPND 3 CHAIN: A SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SP.; SOURCE 3 ORGANISM_TAXID: 1931; SOURCE 4 CELL: F-287 KEYWDS KILLER TOXIN-LIKE PROTEIN,SKLP, CRYSTALLIN FAMILY EXPDTA SOLUTION NMR AUTHOR S.OHKI,E.KARIYA,K.HIRAGA,A.WAKAMIYA,T.ISOBE,K.ODA,M.KAINOSHO REVDAT 4 24-FEB-09 1F53 1 VERSN REVDAT 3 01-APR-03 1F53 1 JRNL REVDAT 2 07-JAN-03 1F53 1 REMARK REVDAT 1 27-DEC-00 1F53 0 JRNL AUTH S.Y.OHKI,E.KARIYA,K.HIRAGA,A.WAKAMIYA,T.ISOBE, JRNL AUTH 2 K.ODA,M.KAINOSHO JRNL TITL NMR STRUCTURE OF STREPTOMYCES KILLER TOXIN-LIKE JRNL TITL 2 PROTEIN, SKLP: FURTHER EVIDENCE FOR THE WIDE JRNL TITL 3 DISTRIBUTION OF SINGLE-DOMAIN BETAGAMMA-CRYSTALLIN JRNL TITL 4 SUPERFAMILY PROTEINS. JRNL REF J.MOL.BIOL. V. 305 109 2001 JRNL REFN ISSN 0022-2836 JRNL PMID 11114251 JRNL DOI 10.1006/JMBI.2000.4244 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1F53 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 14-JUN-00. REMARK 100 THE RCSB ID CODE IS RCSB011253. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : ~1MM U-13C,15N SKLP; ~1MM U- REMARK 210 15N SKLP; ~1MM UNLABELED SKLP; REMARK 210 ~1MM U-13C,15N SKLP REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY, 3D_ REMARK 210 13C-SEPARATED_NOESY, 2D NOESY, REMARK 210 HMQC-J REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ, 800 MHZ REMARK 210 SPECTROMETER MODEL : DMX, DRX, AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE, X-PLOR 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: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 CYS A 6 160.50 57.51 REMARK 500 ARG A 7 57.71 -94.24 REMARK 500 GLU A 10 41.50 -161.15 REMARK 500 ASN A 11 -153.26 171.14 REMARK 500 PHE A 12 -170.32 44.48 REMARK 500 SER A 19 166.85 177.26 REMARK 500 SER A 24 129.97 -171.65 REMARK 500 TYR A 28 -164.08 -122.09 REMARK 500 ASN A 30 -162.65 65.04 REMARK 500 TRP A 39 81.85 173.57 REMARK 500 TRP A 40 69.99 -161.43 REMARK 500 ASP A 42 -0.92 176.66 REMARK 500 LYS A 43 161.99 156.32 REMARK 500 SER A 45 76.69 -119.10 REMARK 500 ASN A 48 4.80 166.02 REMARK 500 TYR A 54 98.56 -62.63 REMARK 500 ALA A 56 -30.63 -35.84 REMARK 500 SER A 60 83.26 -48.02 REMARK 500 ASP A 64 76.01 -101.34 REMARK 500 ARG A 65 177.75 42.05 REMARK 500 TRP A 66 58.42 31.81 REMARK 500 TYR A 71 46.72 -146.49 REMARK 500 ASN A 73 -50.79 -144.39 REMARK 500 ARG A 74 -176.28 -53.83 REMARK 500 LYS A 77 60.27 175.93 REMARK 500 SER A 80 170.46 173.03 REMARK 500 GLU A 82 75.87 -175.76 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 7 0.26 SIDE_CHAIN REMARK 500 ARG A 31 0.18 SIDE_CHAIN REMARK 500 ARG A 33 0.26 SIDE_CHAIN REMARK 500 ARG A 62 0.19 SIDE_CHAIN REMARK 500 ARG A 65 0.30 SIDE_CHAIN REMARK 500 ARG A 74 0.22 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2BB2 RELATED DB: PDB REMARK 900 2BB2 CONTAINS BETA-B2-CRYSTALLIN REMARK 900 RELATED ID: 1AG4 RELATED DB: PDB REMARK 900 1AG4 CONTAINS SPHERULIN 3A REMARK 900 RELATED ID: 1PRS RELATED DB: PDB REMARK 900 1PRS CONTAINS DEVELOPMENT-SPECIFIC PROTEIN S (SPORE COAT REMARK 900 PROTEIN S) REMARK 900 RELATED ID: 1WKT RELATED DB: PDB REMARK 900 1WKT CONTAINS YEAST KILLER TOXIN REMARK 900 RELATED ID: 1BHU RELATED DB: PDB REMARK 900 1BHU CONTAINS METALLOPROTEINASE INHIBITOR DBREF 1F53 A 1 84 PDB 1F53 1F53 1 84 SEQRES 1 A 84 ILE ASP HIS VAL PRO CYS ARG GLY GLY GLU ASN PHE LEU SEQRES 2 A 84 LYS ILE TRP SER HIS SER GLY GLY GLN GLN SER VAL ASP SEQRES 3 A 84 CYS TYR ALA ASN ARG GLY ARG ILE ASP PHE GLY GLY TRP SEQRES 4 A 84 TRP VAL ASP LYS ILE SER THR GLY ASN ASN ASP LEU ILE SEQRES 5 A 84 TYR TYR ASP ALA ASN GLY ASP SER VAL ARG VAL ASP ARG SEQRES 6 A 84 TRP HIS ASP ILE THR TYR PRO ASN ARG PRO PRO LYS VAL SEQRES 7 A 84 ASN SER ILE GLU ILE LEU SHEET 1 S1 5 ASP A 2 HIS A 3 0 SHEET 2 S1 5 GLN A 23 ALA A 29 1 O ALA A 29 N ASP A 2 SHEET 3 S1 5 LEU A 13 HIS A 18 -1 O LEU A 13 N TYR A 28 SHEET 4 S1 5 LYS A 43 THR A 46 -1 O LYS A 43 N TRP A 16 SHEET 5 S1 5 HIS A 67 ILE A 69 -1 N ILE A 69 O ILE A 44 SHEET 1 S2 4 SER A 80 ILE A 83 0 SHEET 2 S2 4 ASP A 59 ASP A 64 -1 N VAL A 63 O LEU A 51 SSBOND *** CYS A 6 CYS A 27 1555 1555 2.48 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 48 ASN : amide:sc= -3.16! C(o=-11!,f=-11!) USER MOD Set 1.2: A 49 ASN : amide:sc= -8.23! C(o=-11!,f=-12!) USER MOD Set 2.1: A 6 CYS SG : rot -53:sc= -13.3! USER MOD Set 2.2: A 14 LYS NZ :NH3+ 159:sc= 0.267 (180deg=0) USER MOD Set 2.3: A 27 CYS SG : rot 147:sc= -19.7! USER MOD Single : A 1 ILE N :NH3+ -103:sc= -1.46! (180deg=-3.84!) USER MOD Single : A 3 HIS : no HD1:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 11 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.24) USER MOD Single : A 17 SER OG : rot 34:sc= 0.96 USER MOD Single : A 18 HIS : no HD1:sc= -0.909 K(o=-0.91,f=-2.4!) USER MOD Single : A 19 SER OG : rot -74:sc= -0.0515! USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.138 K(o=-0.14,f=-0.94) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 165:sc= -5.3! USER MOD Single : A 30 ASN : amide:sc= -5.31! C(o=-5.3!,f=-7.8!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc=-0.00209 USER MOD Single : A 46 THR OG1 : rot 57:sc= -4.95! USER MOD Single : A 53 TYR OH : rot -76:sc= -9.93! USER MOD Single : A 54 TYR OH : rot -30:sc= 1.03 USER MOD Single : A 57 ASN : amide:sc= -8.74! K(o=-8.7!,f=-3.7) USER MOD Single : A 60 SER OG : rot -64:sc= -2.96! USER MOD Single : A 67 HIS : no HD1:sc= -0.115 X(o=-0.11,f=-0.14) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0821 USER MOD Single : A 71 TYR OH : rot -166:sc= -8.94! USER MOD Single : A 73 ASN : amide:sc= -0.397 K(o=-0.4,f=-2.6!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -5.1! K(o=-5.1!,f=-1.3) USER MOD Single : A 80 SER OG : rot 180:sc= -0.0767 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 54.235 0.036 2.877 1.00 0.85 N ATOM 2 CA ILE A 1 55.004 -0.531 1.731 1.00 0.60 C ATOM 3 C ILE A 1 54.080 -1.335 0.819 1.00 0.62 C ATOM 4 O ILE A 1 52.924 -1.556 1.119 1.00 0.95 O ATOM 5 CB ILE A 1 56.048 -1.453 2.366 1.00 0.98 C ATOM 6 CG1 ILE A 1 57.107 -0.618 3.083 1.00 0.74 C ATOM 7 CG2 ILE A 1 56.720 -2.296 1.283 1.00 1.69 C ATOM 8 CD1 ILE A 1 57.918 0.183 2.064 1.00 0.81 C ATOM 0 H1 ILE A 1 54.060 1.048 2.711 1.00 0.85 H new ATOM 0 H2 ILE A 1 53.327 -0.463 2.966 1.00 0.85 H new ATOM 0 H3 ILE A 1 54.782 -0.081 3.754 1.00 0.85 H new ATOM 0 HA ILE A 1 55.461 0.249 1.121 1.00 0.60 H new ATOM 0 HB ILE A 1 55.553 -2.108 3.083 1.00 0.98 H new ATOM 0 HG12 ILE A 1 56.630 0.058 3.793 1.00 0.74 H new ATOM 0 HG13 ILE A 1 57.768 -1.268 3.656 1.00 0.74 H new ATOM 0 HG21 ILE A 1 57.462 -2.951 1.740 1.00 1.69 H new ATOM 0 HG22 ILE A 1 55.969 -2.899 0.773 1.00 1.69 H new ATOM 0 HG23 ILE A 1 57.209 -1.640 0.563 1.00 1.69 H new ATOM 0 HD11 ILE A 1 58.671 0.776 2.583 1.00 0.81 H new ATOM 0 HD12 ILE A 1 58.409 -0.501 1.371 1.00 0.81 H new ATOM 0 HD13 ILE A 1 57.253 0.846 1.510 1.00 0.81 H new ATOM 22 N ASP A 2 54.592 -1.777 -0.291 1.00 0.50 N ATOM 23 CA ASP A 2 53.761 -2.578 -1.237 1.00 0.76 C ATOM 24 C ASP A 2 54.664 -3.410 -2.153 1.00 0.74 C ATOM 25 O ASP A 2 55.857 -3.195 -2.225 1.00 0.99 O ATOM 26 CB ASP A 2 52.972 -1.551 -2.049 1.00 0.96 C ATOM 27 CG ASP A 2 51.482 -1.684 -1.731 1.00 1.47 C ATOM 28 OD1 ASP A 2 51.166 -2.183 -0.664 1.00 2.14 O ATOM 29 OD2 ASP A 2 50.681 -1.284 -2.561 1.00 1.89 O ATOM 0 H ASP A 2 55.555 -1.619 -0.589 1.00 0.50 H new ATOM 0 HA ASP A 2 53.102 -3.274 -0.719 1.00 0.76 H new ATOM 0 HB2 ASP A 2 53.316 -0.544 -1.814 1.00 0.96 H new ATOM 0 HB3 ASP A 2 53.142 -1.706 -3.114 1.00 0.96 H new ATOM 34 N HIS A 3 54.105 -4.360 -2.852 1.00 0.67 N ATOM 35 CA HIS A 3 54.936 -5.204 -3.759 1.00 0.67 C ATOM 36 C HIS A 3 54.801 -4.720 -5.205 1.00 0.64 C ATOM 37 O HIS A 3 53.723 -4.697 -5.764 1.00 0.69 O ATOM 38 CB HIS A 3 54.372 -6.617 -3.612 1.00 0.79 C ATOM 39 CG HIS A 3 55.440 -7.530 -3.074 1.00 1.58 C ATOM 40 ND1 HIS A 3 55.806 -8.701 -3.720 1.00 2.50 N ATOM 41 CD2 HIS A 3 56.230 -7.457 -1.954 1.00 2.46 C ATOM 42 CE1 HIS A 3 56.776 -9.280 -2.990 1.00 3.36 C ATOM 43 NE2 HIS A 3 57.073 -8.564 -1.902 1.00 3.37 N ATOM 0 H HIS A 3 53.111 -4.588 -2.835 1.00 0.67 H new ATOM 0 HA HIS A 3 55.996 -5.160 -3.508 1.00 0.67 H new ATOM 0 HB2 HIS A 3 53.513 -6.609 -2.941 1.00 0.79 H new ATOM 0 HB3 HIS A 3 54.019 -6.981 -4.577 1.00 0.79 H new ATOM 0 HD2 HIS A 3 56.202 -6.662 -1.224 1.00 2.46 H new ATOM 0 HE1 HIS A 3 57.257 -10.211 -3.252 1.00 3.36 H new ATOM 0 HE2 HIS A 3 57.768 -8.781 -1.187 1.00 3.37 H new ATOM 51 N VAL A 4 55.889 -4.334 -5.816 1.00 0.61 N ATOM 52 CA VAL A 4 55.821 -3.853 -7.227 1.00 0.64 C ATOM 53 C VAL A 4 57.203 -3.934 -7.879 1.00 0.64 C ATOM 54 O VAL A 4 58.179 -3.472 -7.322 1.00 0.70 O ATOM 55 CB VAL A 4 55.361 -2.400 -7.128 1.00 0.65 C ATOM 56 CG1 VAL A 4 53.865 -2.356 -6.813 1.00 0.80 C ATOM 57 CG2 VAL A 4 56.137 -1.697 -6.013 1.00 0.56 C ATOM 0 H VAL A 4 56.820 -4.331 -5.400 1.00 0.61 H new ATOM 0 HA VAL A 4 55.146 -4.454 -7.836 1.00 0.64 H new ATOM 0 HB VAL A 4 55.546 -1.895 -8.076 1.00 0.65 H new ATOM 0 HG11 VAL A 4 53.538 -1.318 -6.743 1.00 0.80 H new ATOM 0 HG12 VAL A 4 53.311 -2.858 -7.606 1.00 0.80 H new ATOM 0 HG13 VAL A 4 53.678 -2.860 -5.865 1.00 0.80 H new ATOM 0 HG21 VAL A 4 55.810 -0.660 -5.941 1.00 0.56 H new ATOM 0 HG22 VAL A 4 55.951 -2.203 -5.066 1.00 0.56 H new ATOM 0 HG23 VAL A 4 57.203 -1.727 -6.237 1.00 0.56 H new ATOM 67 N PRO A 5 57.238 -4.522 -9.043 1.00 0.78 N ATOM 68 CA PRO A 5 58.514 -4.670 -9.784 1.00 0.86 C ATOM 69 C PRO A 5 58.956 -3.327 -10.373 1.00 0.76 C ATOM 70 O PRO A 5 59.157 -3.198 -11.564 1.00 0.84 O ATOM 71 CB PRO A 5 58.171 -5.661 -10.892 1.00 1.12 C ATOM 72 CG PRO A 5 56.694 -5.526 -11.092 1.00 1.18 C ATOM 73 CD PRO A 5 56.104 -5.101 -9.771 1.00 1.03 C ATOM 0 HA PRO A 5 59.336 -5.008 -9.153 1.00 0.86 H new ATOM 0 HB2 PRO A 5 58.715 -5.432 -11.808 1.00 1.12 H new ATOM 0 HB3 PRO A 5 58.439 -6.679 -10.608 1.00 1.12 H new ATOM 0 HG2 PRO A 5 56.476 -4.790 -11.866 1.00 1.18 H new ATOM 0 HG3 PRO A 5 56.262 -6.471 -11.420 1.00 1.18 H new ATOM 0 HD2 PRO A 5 55.304 -4.373 -9.907 1.00 1.03 H new ATOM 0 HD3 PRO A 5 55.676 -5.948 -9.234 1.00 1.03 H new ATOM 81 N CYS A 6 59.115 -2.327 -9.549 1.00 0.66 N ATOM 82 CA CYS A 6 59.549 -0.997 -10.067 1.00 0.72 C ATOM 83 C CYS A 6 58.566 -0.494 -11.127 1.00 0.86 C ATOM 84 O CYS A 6 57.811 -1.255 -11.699 1.00 1.31 O ATOM 85 CB CYS A 6 60.925 -1.243 -10.690 1.00 0.81 C ATOM 86 SG CYS A 6 61.910 -2.296 -9.594 1.00 1.24 S ATOM 0 H CYS A 6 58.964 -2.373 -8.541 1.00 0.66 H new ATOM 0 HA CYS A 6 59.584 -0.242 -9.282 1.00 0.72 H new ATOM 0 HB2 CYS A 6 60.814 -1.719 -11.665 1.00 0.81 H new ATOM 0 HB3 CYS A 6 61.436 -0.294 -10.855 1.00 0.81 H new ATOM 0 HG CYS A 6 61.939 -1.776 -8.403 1.00 1.24 H new ATOM 91 N ARG A 7 58.570 0.784 -11.393 1.00 0.77 N ATOM 92 CA ARG A 7 57.636 1.335 -12.417 1.00 1.00 C ATOM 93 C ARG A 7 58.333 1.412 -13.777 1.00 1.36 C ATOM 94 O ARG A 7 58.434 2.465 -14.376 1.00 1.96 O ATOM 95 CB ARG A 7 57.281 2.735 -11.915 1.00 1.96 C ATOM 96 CG ARG A 7 55.829 3.054 -12.276 1.00 2.58 C ATOM 97 CD ARG A 7 55.789 4.258 -13.219 1.00 3.61 C ATOM 98 NE ARG A 7 55.705 3.673 -14.586 1.00 4.14 N ATOM 99 CZ ARG A 7 54.547 3.558 -15.176 1.00 4.92 C ATOM 100 NH1 ARG A 7 53.793 4.610 -15.345 1.00 5.48 N ATOM 101 NH2 ARG A 7 54.143 2.391 -15.598 1.00 5.47 N ATOM 0 H ARG A 7 59.179 1.470 -10.946 1.00 0.77 H new ATOM 0 HA ARG A 7 56.750 0.713 -12.548 1.00 1.00 H new ATOM 0 HB2 ARG A 7 57.419 2.792 -10.835 1.00 1.96 H new ATOM 0 HB3 ARG A 7 57.948 3.473 -12.361 1.00 1.96 H new ATOM 0 HG2 ARG A 7 55.364 2.191 -12.752 1.00 2.58 H new ATOM 0 HG3 ARG A 7 55.257 3.267 -11.373 1.00 2.58 H new ATOM 0 HD2 ARG A 7 54.930 4.896 -13.009 1.00 3.61 H new ATOM 0 HD3 ARG A 7 56.680 4.876 -13.108 1.00 3.61 H new ATOM 0 HE ARG A 7 56.553 3.362 -15.061 1.00 4.14 H new ATOM 0 HH11 ARG A 7 54.109 5.522 -15.016 1.00 5.48 H new ATOM 0 HH12 ARG A 7 52.888 4.520 -15.806 1.00 5.48 H new ATOM 0 HH21 ARG A 7 54.733 1.569 -15.467 1.00 5.47 H new ATOM 0 HH22 ARG A 7 53.238 2.301 -16.059 1.00 5.47 H new ATOM 115 N GLY A 8 58.817 0.304 -14.270 1.00 2.03 N ATOM 116 CA GLY A 8 59.508 0.315 -15.589 1.00 2.97 C ATOM 117 C GLY A 8 60.946 0.803 -15.408 1.00 3.33 C ATOM 118 O GLY A 8 61.729 0.818 -16.338 1.00 4.05 O ATOM 0 H GLY A 8 58.763 -0.608 -13.816 1.00 2.03 H new ATOM 0 HA2 GLY A 8 59.504 -0.685 -16.022 1.00 2.97 H new ATOM 0 HA3 GLY A 8 58.977 0.965 -16.284 1.00 2.97 H new ATOM 122 N GLY A 9 61.301 1.204 -14.218 1.00 3.07 N ATOM 123 CA GLY A 9 62.689 1.692 -13.978 1.00 3.70 C ATOM 124 C GLY A 9 62.686 3.219 -13.892 1.00 3.24 C ATOM 125 O GLY A 9 63.634 3.874 -14.278 1.00 3.61 O ATOM 0 H GLY A 9 60.690 1.215 -13.401 1.00 3.07 H new ATOM 0 HA2 GLY A 9 63.081 1.266 -13.054 1.00 3.70 H new ATOM 0 HA3 GLY A 9 63.345 1.364 -14.784 1.00 3.70 H new ATOM 129 N GLU A 10 61.627 3.793 -13.388 1.00 2.72 N ATOM 130 CA GLU A 10 61.567 5.279 -13.278 1.00 2.49 C ATOM 131 C GLU A 10 60.494 5.695 -12.268 1.00 1.76 C ATOM 132 O GLU A 10 59.757 6.637 -12.484 1.00 2.39 O ATOM 133 CB GLU A 10 61.199 5.765 -14.681 1.00 3.10 C ATOM 134 CG GLU A 10 61.244 7.294 -14.720 1.00 3.52 C ATOM 135 CD GLU A 10 61.214 7.769 -16.174 1.00 4.16 C ATOM 136 OE1 GLU A 10 60.126 7.933 -16.701 1.00 4.62 O ATOM 137 OE2 GLU A 10 62.280 7.961 -16.735 1.00 4.54 O ATOM 0 H GLU A 10 60.802 3.298 -13.048 1.00 2.72 H new ATOM 0 HA GLU A 10 62.509 5.704 -12.932 1.00 2.49 H new ATOM 0 HB2 GLU A 10 61.892 5.351 -15.414 1.00 3.10 H new ATOM 0 HB3 GLU A 10 60.203 5.413 -14.950 1.00 3.10 H new ATOM 0 HG2 GLU A 10 60.396 7.707 -14.174 1.00 3.52 H new ATOM 0 HG3 GLU A 10 62.147 7.654 -14.227 1.00 3.52 H new ATOM 144 N ASN A 11 60.404 5.004 -11.163 1.00 1.23 N ATOM 145 CA ASN A 11 59.386 5.363 -10.139 1.00 1.36 C ATOM 146 C ASN A 11 59.326 4.290 -9.048 1.00 1.05 C ATOM 147 O ASN A 11 60.292 3.602 -8.787 1.00 1.65 O ATOM 148 CB ASN A 11 58.058 5.435 -10.894 1.00 1.94 C ATOM 149 CG ASN A 11 57.399 6.791 -10.635 1.00 2.65 C ATOM 150 OD1 ASN A 11 56.723 7.326 -11.492 1.00 3.24 O ATOM 151 ND2 ASN A 11 57.568 7.375 -9.480 1.00 2.90 N ATOM 0 H ASN A 11 60.993 4.206 -10.927 1.00 1.23 H new ATOM 0 HA ASN A 11 59.621 6.305 -9.645 1.00 1.36 H new ATOM 0 HB2 ASN A 11 58.226 5.298 -11.962 1.00 1.94 H new ATOM 0 HB3 ASN A 11 57.399 4.630 -10.570 1.00 1.94 H new ATOM 0 HD21 ASN A 11 57.133 8.279 -9.297 1.00 2.90 H new ATOM 0 HD22 ASN A 11 58.135 6.927 -8.760 1.00 2.90 H new ATOM 158 N PHE A 12 58.198 4.149 -8.406 1.00 0.84 N ATOM 159 CA PHE A 12 58.076 3.126 -7.327 1.00 0.52 C ATOM 160 C PHE A 12 59.310 3.168 -6.422 1.00 0.52 C ATOM 161 O PHE A 12 60.127 4.063 -6.515 1.00 0.67 O ATOM 162 CB PHE A 12 57.979 1.785 -8.054 1.00 0.48 C ATOM 163 CG PHE A 12 56.525 1.403 -8.213 1.00 0.51 C ATOM 164 CD1 PHE A 12 55.629 1.601 -7.155 1.00 1.52 C ATOM 165 CD2 PHE A 12 56.073 0.853 -9.419 1.00 1.00 C ATOM 166 CE1 PHE A 12 54.282 1.248 -7.304 1.00 1.68 C ATOM 167 CE2 PHE A 12 54.726 0.501 -9.566 1.00 1.04 C ATOM 168 CZ PHE A 12 53.830 0.699 -8.509 1.00 0.92 C ATOM 0 H PHE A 12 57.356 4.697 -8.582 1.00 0.84 H new ATOM 0 HA PHE A 12 57.210 3.299 -6.688 1.00 0.52 H new ATOM 0 HB2 PHE A 12 58.457 1.853 -9.031 1.00 0.48 H new ATOM 0 HB3 PHE A 12 58.509 1.016 -7.493 1.00 0.48 H new ATOM 0 HD1 PHE A 12 55.977 2.026 -6.225 1.00 1.52 H new ATOM 0 HD2 PHE A 12 56.763 0.700 -10.235 1.00 1.00 H new ATOM 0 HE1 PHE A 12 53.591 1.400 -6.488 1.00 1.68 H new ATOM 0 HE2 PHE A 12 54.378 0.076 -10.496 1.00 1.04 H new ATOM 0 HZ PHE A 12 52.791 0.428 -8.623 1.00 0.92 H new ATOM 178 N LEU A 13 59.454 2.211 -5.545 1.00 0.43 N ATOM 179 CA LEU A 13 60.637 2.207 -4.635 1.00 0.51 C ATOM 180 C LEU A 13 61.564 1.039 -4.980 1.00 0.44 C ATOM 181 O LEU A 13 61.134 -0.092 -5.099 1.00 0.54 O ATOM 182 CB LEU A 13 60.063 2.037 -3.226 1.00 0.71 C ATOM 183 CG LEU A 13 59.004 3.111 -2.955 1.00 1.07 C ATOM 184 CD1 LEU A 13 59.483 4.465 -3.481 1.00 1.15 C ATOM 185 CD2 LEU A 13 57.701 2.731 -3.658 1.00 1.90 C ATOM 0 H LEU A 13 58.806 1.434 -5.419 1.00 0.43 H new ATOM 0 HA LEU A 13 61.226 3.120 -4.724 1.00 0.51 H new ATOM 0 HB2 LEU A 13 59.622 1.046 -3.122 1.00 0.71 H new ATOM 0 HB3 LEU A 13 60.862 2.109 -2.488 1.00 0.71 H new ATOM 0 HG LEU A 13 58.838 3.181 -1.880 1.00 1.07 H new ATOM 0 HD11 LEU A 13 58.723 5.221 -3.284 1.00 1.15 H new ATOM 0 HD12 LEU A 13 60.410 4.743 -2.980 1.00 1.15 H new ATOM 0 HD13 LEU A 13 59.657 4.397 -4.555 1.00 1.15 H new ATOM 0 HD21 LEU A 13 56.948 3.495 -3.465 1.00 1.90 H new ATOM 0 HD22 LEU A 13 57.875 2.656 -4.731 1.00 1.90 H new ATOM 0 HD23 LEU A 13 57.350 1.771 -3.279 1.00 1.90 H new ATOM 197 N LYS A 14 62.832 1.303 -5.140 1.00 0.42 N ATOM 198 CA LYS A 14 63.785 0.209 -5.479 1.00 0.55 C ATOM 199 C LYS A 14 64.968 0.222 -4.510 1.00 0.44 C ATOM 200 O LYS A 14 65.576 1.245 -4.275 1.00 0.50 O ATOM 201 CB LYS A 14 64.255 0.526 -6.899 1.00 0.75 C ATOM 202 CG LYS A 14 63.966 -0.665 -7.813 1.00 0.88 C ATOM 203 CD LYS A 14 65.180 -0.928 -8.705 1.00 0.58 C ATOM 204 CE LYS A 14 65.271 0.158 -9.778 1.00 1.39 C ATOM 205 NZ LYS A 14 64.590 -0.420 -10.970 1.00 1.37 N ATOM 0 H LYS A 14 63.249 2.229 -5.051 1.00 0.42 H new ATOM 0 HA LYS A 14 63.327 -0.777 -5.409 1.00 0.55 H new ATOM 0 HB2 LYS A 14 63.746 1.415 -7.271 1.00 0.75 H new ATOM 0 HB3 LYS A 14 65.322 0.747 -6.899 1.00 0.75 H new ATOM 0 HG2 LYS A 14 63.741 -1.549 -7.216 1.00 0.88 H new ATOM 0 HG3 LYS A 14 63.088 -0.462 -8.426 1.00 0.88 H new ATOM 0 HD2 LYS A 14 66.090 -0.938 -8.105 1.00 0.58 H new ATOM 0 HD3 LYS A 14 65.095 -1.909 -9.172 1.00 0.58 H new ATOM 0 HE2 LYS A 14 64.784 1.077 -9.452 1.00 1.39 H new ATOM 0 HE3 LYS A 14 66.309 0.409 -9.999 1.00 1.39 H new ATOM 0 HZ1 LYS A 14 64.294 0.347 -11.607 1.00 1.37 H new ATOM 0 HZ2 LYS A 14 65.246 -1.053 -11.472 1.00 1.37 H new ATOM 0 HZ3 LYS A 14 63.754 -0.959 -10.665 1.00 1.37 H new ATOM 219 N ILE A 15 65.301 -0.906 -3.948 1.00 0.40 N ATOM 220 CA ILE A 15 66.450 -0.949 -3.000 1.00 0.32 C ATOM 221 C ILE A 15 67.423 -2.055 -3.388 1.00 0.31 C ATOM 222 O ILE A 15 67.025 -3.156 -3.706 1.00 0.36 O ATOM 223 CB ILE A 15 65.849 -1.253 -1.639 1.00 0.39 C ATOM 224 CG1 ILE A 15 64.697 -0.289 -1.355 1.00 0.50 C ATOM 225 CG2 ILE A 15 66.939 -1.076 -0.587 1.00 0.37 C ATOM 226 CD1 ILE A 15 65.243 1.130 -1.215 1.00 1.20 C ATOM 0 H ILE A 15 64.830 -1.797 -4.103 1.00 0.40 H new ATOM 0 HA ILE A 15 67.003 -0.010 -3.006 1.00 0.32 H new ATOM 0 HB ILE A 15 65.465 -2.273 -1.617 1.00 0.39 H new ATOM 0 HG12 ILE A 15 63.966 -0.331 -2.163 1.00 0.50 H new ATOM 0 HG13 ILE A 15 64.180 -0.583 -0.442 1.00 0.50 H new ATOM 0 HG21 ILE A 15 66.530 -1.289 0.400 1.00 0.37 H new ATOM 0 HG22 ILE A 15 67.760 -1.762 -0.795 1.00 0.37 H new ATOM 0 HG23 ILE A 15 67.307 -0.050 -0.613 1.00 0.37 H new ATOM 0 HD11 ILE A 15 64.422 1.818 -1.013 1.00 1.20 H new ATOM 0 HD12 ILE A 15 65.957 1.166 -0.392 1.00 1.20 H new ATOM 0 HD13 ILE A 15 65.740 1.421 -2.140 1.00 1.20 H new ATOM 238 N TRP A 16 68.696 -1.780 -3.342 1.00 0.29 N ATOM 239 CA TRP A 16 69.690 -2.835 -3.689 1.00 0.29 C ATOM 240 C TRP A 16 70.138 -3.549 -2.423 1.00 0.26 C ATOM 241 O TRP A 16 70.834 -2.989 -1.596 1.00 0.24 O ATOM 242 CB TRP A 16 70.865 -2.110 -4.333 1.00 0.31 C ATOM 243 CG TRP A 16 70.534 -1.827 -5.759 1.00 0.34 C ATOM 244 CD1 TRP A 16 71.133 -2.393 -6.832 1.00 0.41 C ATOM 245 CD2 TRP A 16 69.528 -0.923 -6.279 1.00 0.35 C ATOM 246 NE1 TRP A 16 70.551 -1.888 -7.982 1.00 0.44 N ATOM 247 CE2 TRP A 16 69.555 -0.976 -7.690 1.00 0.40 C ATOM 248 CE3 TRP A 16 68.603 -0.069 -5.663 1.00 0.35 C ATOM 249 CZ2 TRP A 16 68.688 -0.205 -8.464 1.00 0.43 C ATOM 250 CZ3 TRP A 16 67.733 0.705 -6.434 1.00 0.40 C ATOM 251 CH2 TRP A 16 67.774 0.639 -7.832 1.00 0.43 C ATOM 0 H TRP A 16 69.090 -0.876 -3.081 1.00 0.29 H new ATOM 0 HA TRP A 16 69.272 -3.583 -4.362 1.00 0.29 H new ATOM 0 HB2 TRP A 16 71.071 -1.181 -3.802 1.00 0.31 H new ATOM 0 HB3 TRP A 16 71.766 -2.720 -4.269 1.00 0.31 H new ATOM 0 HD1 TRP A 16 71.932 -3.118 -6.797 1.00 0.41 H new ATOM 0 HE1 TRP A 16 70.824 -2.156 -8.928 1.00 0.44 H new ATOM 0 HE3 TRP A 16 68.563 -0.009 -4.585 1.00 0.35 H new ATOM 0 HZ2 TRP A 16 68.724 -0.261 -9.542 1.00 0.43 H new ATOM 0 HZ3 TRP A 16 67.024 1.359 -5.949 1.00 0.40 H new ATOM 0 HH2 TRP A 16 67.098 1.241 -8.421 1.00 0.43 H new ATOM 262 N SER A 17 69.735 -4.775 -2.265 1.00 0.29 N ATOM 263 CA SER A 17 70.121 -5.537 -1.051 1.00 0.29 C ATOM 264 C SER A 17 71.113 -6.647 -1.417 1.00 0.32 C ATOM 265 O SER A 17 70.852 -7.466 -2.275 1.00 0.47 O ATOM 266 CB SER A 17 68.813 -6.138 -0.540 1.00 0.33 C ATOM 267 OG SER A 17 68.041 -6.589 -1.645 1.00 1.21 O ATOM 0 H SER A 17 69.152 -5.285 -2.929 1.00 0.29 H new ATOM 0 HA SER A 17 70.607 -4.911 -0.303 1.00 0.29 H new ATOM 0 HB2 SER A 17 69.020 -6.967 0.137 1.00 0.33 H new ATOM 0 HB3 SER A 17 68.255 -5.394 0.029 1.00 0.33 H new ATOM 0 HG SER A 17 68.638 -6.916 -2.350 1.00 1.21 H new ATOM 273 N HIS A 18 72.247 -6.685 -0.771 1.00 0.34 N ATOM 274 CA HIS A 18 73.246 -7.748 -1.084 1.00 0.36 C ATOM 275 C HIS A 18 73.469 -8.638 0.141 1.00 0.35 C ATOM 276 O HIS A 18 73.746 -8.160 1.223 1.00 0.36 O ATOM 277 CB HIS A 18 74.529 -6.998 -1.441 1.00 0.40 C ATOM 278 CG HIS A 18 75.652 -7.981 -1.623 1.00 0.67 C ATOM 279 ND1 HIS A 18 75.424 -9.318 -1.912 1.00 1.50 N ATOM 280 CD2 HIS A 18 77.016 -7.838 -1.561 1.00 1.37 C ATOM 281 CE1 HIS A 18 76.623 -9.921 -2.012 1.00 1.64 C ATOM 282 NE2 HIS A 18 77.627 -9.064 -1.807 1.00 1.49 N ATOM 0 H HIS A 18 72.525 -6.028 -0.042 1.00 0.34 H new ATOM 0 HA HIS A 18 72.916 -8.397 -1.895 1.00 0.36 H new ATOM 0 HB2 HIS A 18 74.384 -6.423 -2.355 1.00 0.40 H new ATOM 0 HB3 HIS A 18 74.778 -6.287 -0.653 1.00 0.40 H new ATOM 0 HD2 HIS A 18 77.536 -6.914 -1.353 1.00 1.37 H new ATOM 0 HE1 HIS A 18 76.757 -10.970 -2.231 1.00 1.64 H new ATOM 0 HE2 HIS A 18 78.627 -9.265 -1.827 1.00 1.49 H new ATOM 290 N SER A 19 73.352 -9.929 -0.018 1.00 0.40 N ATOM 291 CA SER A 19 73.560 -10.843 1.143 1.00 0.45 C ATOM 292 C SER A 19 73.305 -12.296 0.733 1.00 0.60 C ATOM 293 O SER A 19 72.754 -12.570 -0.314 1.00 1.09 O ATOM 294 CB SER A 19 72.536 -10.399 2.186 1.00 0.38 C ATOM 295 OG SER A 19 71.390 -11.237 2.103 1.00 0.46 O ATOM 0 H SER A 19 73.122 -10.390 -0.899 1.00 0.40 H new ATOM 0 HA SER A 19 74.581 -10.795 1.523 1.00 0.45 H new ATOM 0 HB2 SER A 19 72.969 -10.453 3.185 1.00 0.38 H new ATOM 0 HB3 SER A 19 72.254 -9.360 2.017 1.00 0.38 H new ATOM 0 HG SER A 19 70.871 -11.004 1.305 1.00 0.46 H new ATOM 301 N GLY A 20 73.698 -13.228 1.558 1.00 0.94 N ATOM 302 CA GLY A 20 73.477 -14.666 1.229 1.00 1.05 C ATOM 303 C GLY A 20 73.790 -14.918 -0.247 1.00 1.00 C ATOM 304 O GLY A 20 74.906 -14.742 -0.694 1.00 1.86 O ATOM 0 H GLY A 20 74.164 -13.055 2.449 1.00 0.94 H new ATOM 0 HA2 GLY A 20 74.111 -15.293 1.856 1.00 1.05 H new ATOM 0 HA3 GLY A 20 72.444 -14.942 1.443 1.00 1.05 H new ATOM 308 N GLY A 21 72.813 -15.337 -1.004 1.00 0.85 N ATOM 309 CA GLY A 21 73.046 -15.611 -2.451 1.00 0.74 C ATOM 310 C GLY A 21 73.932 -14.518 -3.052 1.00 0.66 C ATOM 311 O GLY A 21 75.144 -14.581 -2.984 1.00 0.77 O ATOM 0 H GLY A 21 71.860 -15.502 -0.681 1.00 0.85 H new ATOM 0 HA2 GLY A 21 73.521 -16.584 -2.574 1.00 0.74 H new ATOM 0 HA3 GLY A 21 72.094 -15.652 -2.980 1.00 0.74 H new ATOM 315 N GLN A 22 73.339 -13.519 -3.645 1.00 0.61 N ATOM 316 CA GLN A 22 74.151 -12.427 -4.253 1.00 0.59 C ATOM 317 C GLN A 22 73.409 -11.093 -4.155 1.00 0.53 C ATOM 318 O GLN A 22 72.420 -10.970 -3.459 1.00 0.53 O ATOM 319 CB GLN A 22 74.328 -12.834 -5.716 1.00 0.76 C ATOM 320 CG GLN A 22 72.978 -12.767 -6.433 1.00 1.33 C ATOM 321 CD GLN A 22 73.185 -12.994 -7.932 1.00 1.42 C ATOM 322 OE1 GLN A 22 73.667 -12.124 -8.629 1.00 1.36 O ATOM 323 NE2 GLN A 22 72.837 -14.136 -8.460 1.00 2.27 N ATOM 0 H GLN A 22 72.329 -13.411 -3.735 1.00 0.61 H new ATOM 0 HA GLN A 22 75.107 -12.294 -3.746 1.00 0.59 H new ATOM 0 HB2 GLN A 22 75.044 -12.173 -6.204 1.00 0.76 H new ATOM 0 HB3 GLN A 22 74.734 -13.844 -5.777 1.00 0.76 H new ATOM 0 HG2 GLN A 22 72.302 -13.521 -6.030 1.00 1.33 H new ATOM 0 HG3 GLN A 22 72.511 -11.797 -6.262 1.00 1.33 H new ATOM 0 HE21 GLN A 22 72.432 -14.866 -7.874 1.00 2.27 H new ATOM 0 HE22 GLN A 22 72.970 -14.298 -9.458 1.00 2.27 H new ATOM 332 N GLN A 23 73.882 -10.093 -4.844 1.00 0.51 N ATOM 333 CA GLN A 23 73.210 -8.764 -4.791 1.00 0.47 C ATOM 334 C GLN A 23 71.854 -8.822 -5.499 1.00 0.48 C ATOM 335 O GLN A 23 71.634 -9.628 -6.381 1.00 0.55 O ATOM 336 CB GLN A 23 74.156 -7.812 -5.523 1.00 0.49 C ATOM 337 CG GLN A 23 74.261 -8.225 -6.992 1.00 1.34 C ATOM 338 CD GLN A 23 75.597 -7.744 -7.564 1.00 1.71 C ATOM 339 OE1 GLN A 23 76.621 -7.855 -6.920 1.00 2.34 O ATOM 340 NE2 GLN A 23 75.629 -7.211 -8.755 1.00 2.13 N ATOM 0 H GLN A 23 74.706 -10.138 -5.443 1.00 0.51 H new ATOM 0 HA GLN A 23 73.017 -8.442 -3.768 1.00 0.47 H new ATOM 0 HB2 GLN A 23 73.789 -6.788 -5.448 1.00 0.49 H new ATOM 0 HB3 GLN A 23 75.141 -7.832 -5.057 1.00 0.49 H new ATOM 0 HG2 GLN A 23 74.184 -9.308 -7.082 1.00 1.34 H new ATOM 0 HG3 GLN A 23 73.435 -7.798 -7.561 1.00 1.34 H new ATOM 0 HE21 GLN A 23 74.769 -7.118 -9.295 1.00 2.13 H new ATOM 0 HE22 GLN A 23 76.514 -6.888 -9.145 1.00 2.13 H new ATOM 349 N SER A 24 70.944 -7.970 -5.117 1.00 0.47 N ATOM 350 CA SER A 24 69.599 -7.964 -5.760 1.00 0.50 C ATOM 351 C SER A 24 68.803 -6.748 -5.280 1.00 0.46 C ATOM 352 O SER A 24 68.708 -6.488 -4.097 1.00 0.44 O ATOM 353 CB SER A 24 68.934 -9.259 -5.295 1.00 0.57 C ATOM 354 OG SER A 24 67.965 -9.661 -6.255 1.00 0.66 O ATOM 0 H SER A 24 71.074 -7.274 -4.383 1.00 0.47 H new ATOM 0 HA SER A 24 69.654 -7.905 -6.847 1.00 0.50 H new ATOM 0 HB2 SER A 24 69.683 -10.041 -5.168 1.00 0.57 H new ATOM 0 HB3 SER A 24 68.461 -9.110 -4.324 1.00 0.57 H new ATOM 0 HG SER A 24 67.538 -10.492 -5.960 1.00 0.66 H new ATOM 360 N VAL A 25 68.236 -5.994 -6.183 1.00 0.50 N ATOM 361 CA VAL A 25 67.460 -4.796 -5.753 1.00 0.47 C ATOM 362 C VAL A 25 65.990 -5.154 -5.526 1.00 0.48 C ATOM 363 O VAL A 25 65.311 -5.634 -6.412 1.00 0.63 O ATOM 364 CB VAL A 25 67.586 -3.784 -6.893 1.00 0.56 C ATOM 365 CG1 VAL A 25 67.272 -4.467 -8.224 1.00 1.32 C ATOM 366 CG2 VAL A 25 66.592 -2.645 -6.663 1.00 0.81 C ATOM 0 H VAL A 25 68.276 -6.153 -7.190 1.00 0.50 H new ATOM 0 HA VAL A 25 67.840 -4.397 -4.813 1.00 0.47 H new ATOM 0 HB VAL A 25 68.602 -3.390 -6.920 1.00 0.56 H new ATOM 0 HG11 VAL A 25 67.363 -3.744 -9.034 1.00 1.32 H new ATOM 0 HG12 VAL A 25 67.974 -5.285 -8.388 1.00 1.32 H new ATOM 0 HG13 VAL A 25 66.256 -4.860 -8.200 1.00 1.32 H new ATOM 0 HG21 VAL A 25 66.676 -1.920 -7.472 1.00 0.81 H new ATOM 0 HG22 VAL A 25 65.579 -3.046 -6.639 1.00 0.81 H new ATOM 0 HG23 VAL A 25 66.812 -2.157 -5.714 1.00 0.81 H new ATOM 376 N ASP A 26 65.491 -4.906 -4.346 1.00 0.47 N ATOM 377 CA ASP A 26 64.061 -5.210 -4.058 1.00 0.58 C ATOM 378 C ASP A 26 63.203 -3.995 -4.417 1.00 0.53 C ATOM 379 O ASP A 26 63.616 -2.865 -4.246 1.00 0.64 O ATOM 380 CB ASP A 26 64.006 -5.485 -2.555 1.00 0.70 C ATOM 381 CG ASP A 26 63.332 -6.836 -2.307 1.00 1.18 C ATOM 382 OD1 ASP A 26 62.785 -7.385 -3.249 1.00 1.83 O ATOM 383 OD2 ASP A 26 63.374 -7.299 -1.179 1.00 1.74 O ATOM 0 H ASP A 26 66.014 -4.505 -3.567 1.00 0.47 H new ATOM 0 HA ASP A 26 63.685 -6.057 -4.632 1.00 0.58 H new ATOM 0 HB2 ASP A 26 65.013 -5.487 -2.138 1.00 0.70 H new ATOM 0 HB3 ASP A 26 63.453 -4.693 -2.050 1.00 0.70 H new ATOM 388 N CYS A 27 62.022 -4.210 -4.925 1.00 0.48 N ATOM 389 CA CYS A 27 61.165 -3.051 -5.301 1.00 0.52 C ATOM 390 C CYS A 27 59.766 -3.179 -4.689 1.00 0.48 C ATOM 391 O CYS A 27 59.028 -4.099 -4.983 1.00 0.57 O ATOM 392 CB CYS A 27 61.089 -3.102 -6.826 1.00 0.65 C ATOM 393 SG CYS A 27 60.962 -1.419 -7.481 1.00 1.21 S ATOM 0 H CYS A 27 61.615 -5.130 -5.095 1.00 0.48 H new ATOM 0 HA CYS A 27 61.573 -2.108 -4.936 1.00 0.52 H new ATOM 0 HB2 CYS A 27 61.974 -3.594 -7.229 1.00 0.65 H new ATOM 0 HB3 CYS A 27 60.227 -3.691 -7.138 1.00 0.65 H new ATOM 0 HG CYS A 27 61.570 -1.353 -8.628 1.00 1.21 H new ATOM 398 N TYR A 28 59.391 -2.247 -3.855 1.00 0.46 N ATOM 399 CA TYR A 28 58.033 -2.296 -3.241 1.00 0.46 C ATOM 400 C TYR A 28 57.277 -1.015 -3.579 1.00 0.60 C ATOM 401 O TYR A 28 57.644 -0.293 -4.485 1.00 0.86 O ATOM 402 CB TYR A 28 58.250 -2.428 -1.730 1.00 0.50 C ATOM 403 CG TYR A 28 59.424 -1.590 -1.287 1.00 0.35 C ATOM 404 CD1 TYR A 28 60.730 -2.007 -1.567 1.00 1.18 C ATOM 405 CD2 TYR A 28 59.205 -0.403 -0.580 1.00 1.22 C ATOM 406 CE1 TYR A 28 61.817 -1.234 -1.143 1.00 1.17 C ATOM 407 CE2 TYR A 28 60.292 0.369 -0.155 1.00 1.29 C ATOM 408 CZ TYR A 28 61.598 -0.046 -0.437 1.00 0.52 C ATOM 409 OH TYR A 28 62.668 0.717 -0.017 1.00 0.72 O ATOM 0 H TYR A 28 59.966 -1.454 -3.572 1.00 0.46 H new ATOM 0 HA TYR A 28 57.442 -3.131 -3.616 1.00 0.46 H new ATOM 0 HB2 TYR A 28 57.351 -2.114 -1.199 1.00 0.50 H new ATOM 0 HB3 TYR A 28 58.424 -3.473 -1.472 1.00 0.50 H new ATOM 0 HD1 TYR A 28 60.899 -2.925 -2.110 1.00 1.18 H new ATOM 0 HD2 TYR A 28 58.197 -0.082 -0.362 1.00 1.22 H new ATOM 0 HE1 TYR A 28 62.825 -1.555 -1.361 1.00 1.17 H new ATOM 0 HE2 TYR A 28 60.123 1.285 0.391 1.00 1.29 H new ATOM 0 HH TYR A 28 62.353 1.609 0.239 1.00 0.72 H new ATOM 419 N ALA A 29 56.213 -0.731 -2.885 1.00 0.67 N ATOM 420 CA ALA A 29 55.442 0.502 -3.215 1.00 0.94 C ATOM 421 C ALA A 29 54.867 1.175 -1.967 1.00 0.72 C ATOM 422 O ALA A 29 54.762 0.585 -0.909 1.00 0.80 O ATOM 423 CB ALA A 29 54.311 0.019 -4.123 1.00 1.39 C ATOM 0 H ALA A 29 55.846 -1.289 -2.114 1.00 0.67 H new ATOM 0 HA ALA A 29 56.079 1.250 -3.687 1.00 0.94 H new ATOM 0 HB1 ALA A 29 53.691 0.867 -4.415 1.00 1.39 H new ATOM 0 HB2 ALA A 29 54.733 -0.446 -5.014 1.00 1.39 H new ATOM 0 HB3 ALA A 29 53.701 -0.709 -3.588 1.00 1.39 H new ATOM 429 N ASN A 30 54.480 2.417 -2.110 1.00 0.76 N ATOM 430 CA ASN A 30 53.882 3.176 -0.973 1.00 0.68 C ATOM 431 C ASN A 30 54.879 3.392 0.157 1.00 0.54 C ATOM 432 O ASN A 30 56.076 3.265 -0.005 1.00 0.75 O ATOM 433 CB ASN A 30 52.736 2.313 -0.470 1.00 0.88 C ATOM 434 CG ASN A 30 51.912 1.805 -1.654 1.00 1.17 C ATOM 435 OD1 ASN A 30 52.134 2.205 -2.780 1.00 1.97 O ATOM 436 ND2 ASN A 30 50.963 0.933 -1.447 1.00 1.11 N ATOM 0 H ASN A 30 54.555 2.944 -2.980 1.00 0.76 H new ATOM 0 HA ASN A 30 53.563 4.165 -1.302 1.00 0.68 H new ATOM 0 HB2 ASN A 30 53.126 1.471 0.101 1.00 0.88 H new ATOM 0 HB3 ASN A 30 52.103 2.890 0.205 1.00 0.88 H new ATOM 0 HD21 ASN A 30 50.408 0.588 -2.230 1.00 1.11 H new ATOM 0 HD22 ASN A 30 50.776 0.597 -0.502 1.00 1.11 H new ATOM 443 N ARG A 31 54.368 3.722 1.309 1.00 0.45 N ATOM 444 CA ARG A 31 55.242 3.959 2.483 1.00 0.51 C ATOM 445 C ARG A 31 54.934 2.946 3.582 1.00 0.53 C ATOM 446 O ARG A 31 53.869 2.362 3.626 1.00 0.80 O ATOM 447 CB ARG A 31 54.901 5.375 2.948 1.00 0.62 C ATOM 448 CG ARG A 31 53.473 5.402 3.497 1.00 1.24 C ATOM 449 CD ARG A 31 53.023 6.854 3.679 1.00 1.81 C ATOM 450 NE ARG A 31 51.860 6.782 4.606 1.00 2.29 N ATOM 451 CZ ARG A 31 51.163 7.854 4.862 1.00 2.74 C ATOM 452 NH1 ARG A 31 50.974 8.748 3.930 1.00 2.92 N ATOM 453 NH2 ARG A 31 50.653 8.033 6.050 1.00 3.50 N ATOM 0 H ARG A 31 53.370 3.838 1.486 1.00 0.45 H new ATOM 0 HA ARG A 31 56.299 3.852 2.241 1.00 0.51 H new ATOM 0 HB2 ARG A 31 55.604 5.696 3.717 1.00 0.62 H new ATOM 0 HB3 ARG A 31 54.996 6.075 2.118 1.00 0.62 H new ATOM 0 HG2 ARG A 31 52.800 4.884 2.814 1.00 1.24 H new ATOM 0 HG3 ARG A 31 53.428 4.874 4.450 1.00 1.24 H new ATOM 0 HD2 ARG A 31 53.823 7.466 4.096 1.00 1.81 H new ATOM 0 HD3 ARG A 31 52.742 7.303 2.726 1.00 1.81 H new ATOM 0 HE ARG A 31 51.609 5.894 5.041 1.00 2.29 H new ATOM 0 HH11 ARG A 31 51.372 8.608 3.001 1.00 2.92 H new ATOM 0 HH12 ARG A 31 50.429 9.586 4.131 1.00 2.92 H new ATOM 0 HH21 ARG A 31 50.800 7.334 6.779 1.00 3.50 H new ATOM 0 HH22 ARG A 31 50.108 8.872 6.250 1.00 3.50 H new ATOM 467 N GLY A 32 55.861 2.735 4.468 1.00 0.38 N ATOM 468 CA GLY A 32 55.630 1.758 5.569 1.00 0.55 C ATOM 469 C GLY A 32 56.930 1.015 5.865 1.00 0.48 C ATOM 470 O GLY A 32 57.905 1.148 5.152 1.00 0.46 O ATOM 0 H GLY A 32 56.771 3.196 4.480 1.00 0.38 H new ATOM 0 HA2 GLY A 32 55.282 2.276 6.463 1.00 0.55 H new ATOM 0 HA3 GLY A 32 54.850 1.051 5.286 1.00 0.55 H new ATOM 474 N ARG A 33 56.957 0.236 6.910 1.00 0.46 N ATOM 475 CA ARG A 33 58.205 -0.506 7.245 1.00 0.40 C ATOM 476 C ARG A 33 58.085 -1.977 6.846 1.00 0.39 C ATOM 477 O ARG A 33 57.080 -2.619 7.079 1.00 0.43 O ATOM 478 CB ARG A 33 58.354 -0.370 8.760 1.00 0.40 C ATOM 479 CG ARG A 33 57.345 -1.284 9.459 1.00 1.19 C ATOM 480 CD ARG A 33 57.189 -0.851 10.918 1.00 1.48 C ATOM 481 NE ARG A 33 55.978 -1.569 11.404 1.00 2.34 N ATOM 482 CZ ARG A 33 55.555 -1.383 12.625 1.00 2.77 C ATOM 483 NH1 ARG A 33 55.275 -0.178 13.042 1.00 3.19 N ATOM 484 NH2 ARG A 33 55.413 -2.401 13.429 1.00 3.32 N ATOM 0 H ARG A 33 56.173 0.081 7.544 1.00 0.46 H new ATOM 0 HA ARG A 33 59.069 -0.110 6.711 1.00 0.40 H new ATOM 0 HB2 ARG A 33 59.368 -0.633 9.061 1.00 0.40 H new ATOM 0 HB3 ARG A 33 58.191 0.665 9.060 1.00 0.40 H new ATOM 0 HG2 ARG A 33 56.382 -1.237 8.950 1.00 1.19 H new ATOM 0 HG3 ARG A 33 57.682 -2.320 9.410 1.00 1.19 H new ATOM 0 HD2 ARG A 33 58.068 -1.117 11.505 1.00 1.48 H new ATOM 0 HD3 ARG A 33 57.067 0.229 10.999 1.00 1.48 H new ATOM 0 HE ARG A 33 55.479 -2.206 10.783 1.00 2.34 H new ATOM 0 HH11 ARG A 33 55.387 0.618 12.414 1.00 3.19 H new ATOM 0 HH12 ARG A 33 54.944 -0.032 13.996 1.00 3.19 H new ATOM 0 HH21 ARG A 33 55.633 -3.342 13.104 1.00 3.32 H new ATOM 0 HH22 ARG A 33 55.083 -2.255 14.383 1.00 3.32 H new ATOM 498 N ILE A 34 59.113 -2.513 6.251 1.00 0.40 N ATOM 499 CA ILE A 34 59.077 -3.945 5.836 1.00 0.40 C ATOM 500 C ILE A 34 60.390 -4.638 6.211 1.00 0.37 C ATOM 501 O ILE A 34 61.440 -4.321 5.689 1.00 0.49 O ATOM 502 CB ILE A 34 58.899 -3.919 4.324 1.00 0.49 C ATOM 503 CG1 ILE A 34 59.115 -5.328 3.757 1.00 0.52 C ATOM 504 CG2 ILE A 34 59.917 -2.961 3.729 1.00 0.65 C ATOM 505 CD1 ILE A 34 59.559 -5.236 2.294 1.00 0.75 C ATOM 0 H ILE A 34 59.979 -2.021 6.033 1.00 0.40 H new ATOM 0 HA ILE A 34 58.275 -4.495 6.329 1.00 0.40 H new ATOM 0 HB ILE A 34 57.891 -3.588 4.072 1.00 0.49 H new ATOM 0 HG12 ILE A 34 59.869 -5.854 4.343 1.00 0.52 H new ATOM 0 HG13 ILE A 34 58.193 -5.905 3.831 1.00 0.52 H new ATOM 0 HG21 ILE A 34 59.800 -2.933 2.646 1.00 0.65 H new ATOM 0 HG22 ILE A 34 59.759 -1.963 4.137 1.00 0.65 H new ATOM 0 HG23 ILE A 34 60.923 -3.299 3.977 1.00 0.65 H new ATOM 0 HD11 ILE A 34 59.711 -6.239 1.896 1.00 0.75 H new ATOM 0 HD12 ILE A 34 58.791 -4.727 1.712 1.00 0.75 H new ATOM 0 HD13 ILE A 34 60.492 -4.676 2.231 1.00 0.75 H new ATOM 517 N ASP A 35 60.340 -5.581 7.112 1.00 0.33 N ATOM 518 CA ASP A 35 61.587 -6.291 7.517 1.00 0.32 C ATOM 519 C ASP A 35 62.431 -6.617 6.282 1.00 0.33 C ATOM 520 O ASP A 35 61.922 -7.051 5.268 1.00 0.42 O ATOM 521 CB ASP A 35 61.108 -7.576 8.194 1.00 0.38 C ATOM 522 CG ASP A 35 62.164 -8.048 9.196 1.00 1.45 C ATOM 523 OD1 ASP A 35 62.575 -7.244 10.016 1.00 2.27 O ATOM 524 OD2 ASP A 35 62.542 -9.206 9.126 1.00 2.14 O ATOM 0 H ASP A 35 59.491 -5.890 7.585 1.00 0.33 H new ATOM 0 HA ASP A 35 62.210 -5.690 8.179 1.00 0.32 H new ATOM 0 HB2 ASP A 35 60.161 -7.400 8.703 1.00 0.38 H new ATOM 0 HB3 ASP A 35 60.929 -8.349 7.446 1.00 0.38 H new ATOM 529 N PHE A 36 63.718 -6.413 6.358 1.00 0.30 N ATOM 530 CA PHE A 36 64.589 -6.712 5.185 1.00 0.31 C ATOM 531 C PHE A 36 65.279 -8.067 5.370 1.00 0.35 C ATOM 532 O PHE A 36 65.409 -8.838 4.440 1.00 0.45 O ATOM 533 CB PHE A 36 65.619 -5.582 5.154 1.00 0.29 C ATOM 534 CG PHE A 36 65.640 -4.956 3.779 1.00 0.26 C ATOM 535 CD1 PHE A 36 65.506 -5.761 2.641 1.00 1.17 C ATOM 536 CD2 PHE A 36 65.795 -3.571 3.642 1.00 1.27 C ATOM 537 CE1 PHE A 36 65.529 -5.182 1.367 1.00 1.17 C ATOM 538 CE2 PHE A 36 65.817 -2.992 2.367 1.00 1.29 C ATOM 539 CZ PHE A 36 65.684 -3.797 1.230 1.00 0.32 C ATOM 0 H PHE A 36 64.203 -6.053 7.180 1.00 0.30 H new ATOM 0 HA PHE A 36 64.023 -6.769 4.255 1.00 0.31 H new ATOM 0 HB2 PHE A 36 65.372 -4.830 5.904 1.00 0.29 H new ATOM 0 HB3 PHE A 36 66.607 -5.969 5.404 1.00 0.29 H new ATOM 0 HD1 PHE A 36 65.385 -6.829 2.746 1.00 1.17 H new ATOM 0 HD2 PHE A 36 65.898 -2.950 4.519 1.00 1.27 H new ATOM 0 HE1 PHE A 36 65.427 -5.803 0.490 1.00 1.17 H new ATOM 0 HE2 PHE A 36 65.937 -1.924 2.261 1.00 1.29 H new ATOM 0 HZ PHE A 36 65.701 -3.350 0.247 1.00 0.32 H new ATOM 549 N GLY A 37 65.718 -8.366 6.562 1.00 0.33 N ATOM 550 CA GLY A 37 66.394 -9.674 6.799 1.00 0.37 C ATOM 551 C GLY A 37 67.605 -9.475 7.713 1.00 0.39 C ATOM 552 O GLY A 37 68.242 -10.424 8.127 1.00 0.58 O ATOM 0 H GLY A 37 65.638 -7.763 7.381 1.00 0.33 H new ATOM 0 HA2 GLY A 37 65.696 -10.377 7.253 1.00 0.37 H new ATOM 0 HA3 GLY A 37 66.711 -10.107 5.850 1.00 0.37 H new ATOM 556 N GLY A 38 67.932 -8.253 8.031 1.00 0.31 N ATOM 557 CA GLY A 38 69.105 -8.004 8.917 1.00 0.30 C ATOM 558 C GLY A 38 70.390 -8.060 8.091 1.00 0.28 C ATOM 559 O GLY A 38 71.475 -8.188 8.621 1.00 0.30 O ATOM 0 H GLY A 38 67.439 -7.417 7.717 1.00 0.31 H new ATOM 0 HA2 GLY A 38 69.011 -7.030 9.397 1.00 0.30 H new ATOM 0 HA3 GLY A 38 69.138 -8.749 9.712 1.00 0.30 H new ATOM 563 N TRP A 39 70.274 -7.967 6.794 1.00 0.26 N ATOM 564 CA TRP A 39 71.486 -8.015 5.924 1.00 0.26 C ATOM 565 C TRP A 39 71.067 -8.047 4.454 1.00 0.25 C ATOM 566 O TRP A 39 71.007 -9.094 3.840 1.00 0.29 O ATOM 567 CB TRP A 39 72.201 -9.314 6.302 1.00 0.30 C ATOM 568 CG TRP A 39 73.669 -9.057 6.431 1.00 0.31 C ATOM 569 CD1 TRP A 39 74.355 -9.045 7.597 1.00 0.34 C ATOM 570 CD2 TRP A 39 74.641 -8.779 5.382 1.00 0.35 C ATOM 571 NE1 TRP A 39 75.685 -8.773 7.331 1.00 0.38 N ATOM 572 CE2 TRP A 39 75.911 -8.603 5.980 1.00 0.39 C ATOM 573 CE3 TRP A 39 74.545 -8.662 3.983 1.00 0.40 C ATOM 574 CZ2 TRP A 39 77.046 -8.322 5.217 1.00 0.47 C ATOM 575 CZ3 TRP A 39 75.685 -8.380 3.213 1.00 0.48 C ATOM 576 CH2 TRP A 39 76.933 -8.211 3.829 1.00 0.52 C ATOM 0 H TRP A 39 69.390 -7.859 6.297 1.00 0.26 H new ATOM 0 HA TRP A 39 72.128 -7.145 6.061 1.00 0.26 H new ATOM 0 HB2 TRP A 39 71.805 -9.699 7.241 1.00 0.30 H new ATOM 0 HB3 TRP A 39 72.020 -10.075 5.543 1.00 0.30 H new ATOM 0 HD1 TRP A 39 73.933 -9.219 8.576 1.00 0.34 H new ATOM 0 HE1 TRP A 39 76.410 -8.706 8.046 1.00 0.38 H new ATOM 0 HE3 TRP A 39 73.588 -8.790 3.498 1.00 0.40 H new ATOM 0 HZ2 TRP A 39 78.005 -8.191 5.697 1.00 0.47 H new ATOM 0 HZ3 TRP A 39 75.600 -8.293 2.140 1.00 0.48 H new ATOM 0 HH2 TRP A 39 77.806 -7.995 3.231 1.00 0.52 H new ATOM 587 N TRP A 40 70.766 -6.912 3.884 1.00 0.22 N ATOM 588 CA TRP A 40 70.342 -6.897 2.456 1.00 0.23 C ATOM 589 C TRP A 40 70.480 -5.491 1.858 1.00 0.21 C ATOM 590 O TRP A 40 69.500 -4.834 1.569 1.00 0.24 O ATOM 591 CB TRP A 40 68.873 -7.323 2.486 1.00 0.28 C ATOM 592 CG TRP A 40 68.773 -8.807 2.318 1.00 0.32 C ATOM 593 CD1 TRP A 40 68.217 -9.653 3.216 1.00 0.42 C ATOM 594 CD2 TRP A 40 69.227 -9.634 1.206 1.00 0.35 C ATOM 595 NE1 TRP A 40 68.301 -10.944 2.727 1.00 0.46 N ATOM 596 CE2 TRP A 40 68.915 -10.984 1.491 1.00 0.41 C ATOM 597 CE3 TRP A 40 69.873 -9.347 -0.011 1.00 0.40 C ATOM 598 CZ2 TRP A 40 69.231 -12.012 0.602 1.00 0.45 C ATOM 599 CZ3 TRP A 40 70.193 -10.379 -0.908 1.00 0.48 C ATOM 600 CH2 TRP A 40 69.873 -11.709 -0.603 1.00 0.47 C ATOM 0 H TRP A 40 70.795 -6.001 4.342 1.00 0.22 H new ATOM 0 HA TRP A 40 70.955 -7.555 1.840 1.00 0.23 H new ATOM 0 HB2 TRP A 40 68.417 -7.023 3.429 1.00 0.28 H new ATOM 0 HB3 TRP A 40 68.322 -6.820 1.691 1.00 0.28 H new ATOM 0 HD1 TRP A 40 67.779 -9.367 4.161 1.00 0.42 H new ATOM 0 HE1 TRP A 40 67.952 -11.766 3.219 1.00 0.46 H new ATOM 0 HE3 TRP A 40 70.124 -8.326 -0.257 1.00 0.40 H new ATOM 0 HZ2 TRP A 40 68.981 -13.035 0.843 1.00 0.45 H new ATOM 0 HZ3 TRP A 40 70.689 -10.146 -1.839 1.00 0.48 H new ATOM 0 HH2 TRP A 40 70.122 -12.498 -1.297 1.00 0.47 H new ATOM 611 N VAL A 41 71.685 -5.025 1.662 1.00 0.20 N ATOM 612 CA VAL A 41 71.869 -3.666 1.072 1.00 0.21 C ATOM 613 C VAL A 41 72.979 -3.662 0.017 1.00 0.24 C ATOM 614 O VAL A 41 73.804 -4.551 -0.057 1.00 0.48 O ATOM 615 CB VAL A 41 72.239 -2.758 2.246 1.00 0.31 C ATOM 616 CG1 VAL A 41 73.681 -2.275 2.091 1.00 0.36 C ATOM 617 CG2 VAL A 41 71.303 -1.549 2.254 1.00 0.36 C ATOM 0 H VAL A 41 72.547 -5.524 1.884 1.00 0.20 H new ATOM 0 HA VAL A 41 70.965 -3.329 0.564 1.00 0.21 H new ATOM 0 HB VAL A 41 72.143 -3.312 3.179 1.00 0.31 H new ATOM 0 HG11 VAL A 41 73.940 -1.629 2.929 1.00 0.36 H new ATOM 0 HG12 VAL A 41 74.352 -3.134 2.074 1.00 0.36 H new ATOM 0 HG13 VAL A 41 73.780 -1.718 1.159 1.00 0.36 H new ATOM 0 HG21 VAL A 41 71.559 -0.896 3.088 1.00 0.36 H new ATOM 0 HG22 VAL A 41 71.409 -1.001 1.318 1.00 0.36 H new ATOM 0 HG23 VAL A 41 70.272 -1.887 2.362 1.00 0.36 H new ATOM 627 N ASP A 42 72.986 -2.643 -0.790 1.00 0.25 N ATOM 628 CA ASP A 42 74.012 -2.500 -1.863 1.00 0.24 C ATOM 629 C ASP A 42 73.691 -1.244 -2.683 1.00 0.25 C ATOM 630 O ASP A 42 74.396 -0.886 -3.604 1.00 0.28 O ATOM 631 CB ASP A 42 73.884 -3.760 -2.719 1.00 0.25 C ATOM 632 CG ASP A 42 74.820 -3.656 -3.925 1.00 0.40 C ATOM 633 OD1 ASP A 42 75.700 -2.811 -3.896 1.00 1.07 O ATOM 634 OD2 ASP A 42 74.640 -4.422 -4.857 1.00 1.28 O ATOM 0 H ASP A 42 72.307 -1.882 -0.752 1.00 0.25 H new ATOM 0 HA ASP A 42 75.025 -2.395 -1.475 1.00 0.24 H new ATOM 0 HB2 ASP A 42 74.133 -4.641 -2.127 1.00 0.25 H new ATOM 0 HB3 ASP A 42 72.854 -3.881 -3.054 1.00 0.25 H new ATOM 639 N LYS A 43 72.623 -0.579 -2.320 1.00 0.24 N ATOM 640 CA LYS A 43 72.190 0.678 -3.008 1.00 0.25 C ATOM 641 C LYS A 43 70.692 0.865 -2.781 1.00 0.25 C ATOM 642 O LYS A 43 69.996 -0.061 -2.422 1.00 0.25 O ATOM 643 CB LYS A 43 72.482 0.516 -4.505 1.00 0.28 C ATOM 644 CG LYS A 43 71.752 1.625 -5.272 1.00 0.41 C ATOM 645 CD LYS A 43 71.840 1.375 -6.778 1.00 0.76 C ATOM 646 CE LYS A 43 73.231 0.845 -7.137 1.00 0.80 C ATOM 647 NZ LYS A 43 73.510 1.388 -8.495 1.00 1.43 N ATOM 0 H LYS A 43 72.015 -0.864 -1.552 1.00 0.24 H new ATOM 0 HA LYS A 43 72.720 1.548 -2.619 1.00 0.25 H new ATOM 0 HB2 LYS A 43 73.555 0.573 -4.689 1.00 0.28 H new ATOM 0 HB3 LYS A 43 72.151 -0.463 -4.851 1.00 0.28 H new ATOM 0 HG2 LYS A 43 70.707 1.663 -4.963 1.00 0.41 H new ATOM 0 HG3 LYS A 43 72.191 2.593 -5.031 1.00 0.41 H new ATOM 0 HD2 LYS A 43 71.078 0.657 -7.082 1.00 0.76 H new ATOM 0 HD3 LYS A 43 71.642 2.299 -7.321 1.00 0.76 H new ATOM 0 HE2 LYS A 43 73.979 1.178 -6.417 1.00 0.80 H new ATOM 0 HE3 LYS A 43 73.251 -0.245 -7.136 1.00 0.80 H new ATOM 0 HZ1 LYS A 43 74.448 1.068 -8.811 1.00 1.43 H new ATOM 0 HZ2 LYS A 43 72.786 1.049 -9.160 1.00 1.43 H new ATOM 0 HZ3 LYS A 43 73.491 2.427 -8.464 1.00 1.43 H new ATOM 661 N ILE A 44 70.184 2.046 -2.978 1.00 0.27 N ATOM 662 CA ILE A 44 68.728 2.258 -2.761 1.00 0.27 C ATOM 663 C ILE A 44 68.194 3.336 -3.706 1.00 0.27 C ATOM 664 O ILE A 44 68.794 4.377 -3.874 1.00 0.29 O ATOM 665 CB ILE A 44 68.607 2.714 -1.310 1.00 0.30 C ATOM 666 CG1 ILE A 44 68.957 1.555 -0.373 1.00 0.42 C ATOM 667 CG2 ILE A 44 67.172 3.160 -1.045 1.00 0.29 C ATOM 668 CD1 ILE A 44 70.408 1.691 0.091 1.00 1.01 C ATOM 0 H ILE A 44 70.708 2.868 -3.277 1.00 0.27 H new ATOM 0 HA ILE A 44 68.150 1.355 -2.958 1.00 0.27 H new ATOM 0 HB ILE A 44 69.293 3.542 -1.131 1.00 0.30 H new ATOM 0 HG12 ILE A 44 68.288 1.555 0.487 1.00 0.42 H new ATOM 0 HG13 ILE A 44 68.816 0.604 -0.886 1.00 0.42 H new ATOM 0 HG21 ILE A 44 67.078 3.487 -0.010 1.00 0.29 H new ATOM 0 HG22 ILE A 44 66.919 3.985 -1.711 1.00 0.29 H new ATOM 0 HG23 ILE A 44 66.493 2.327 -1.225 1.00 0.29 H new ATOM 0 HD11 ILE A 44 70.656 0.865 0.758 1.00 1.01 H new ATOM 0 HD12 ILE A 44 71.070 1.670 -0.774 1.00 1.01 H new ATOM 0 HD13 ILE A 44 70.534 2.635 0.621 1.00 1.01 H new ATOM 680 N SER A 45 67.062 3.096 -4.314 1.00 0.28 N ATOM 681 CA SER A 45 66.482 4.111 -5.240 1.00 0.30 C ATOM 682 C SER A 45 65.111 4.560 -4.728 1.00 0.29 C ATOM 683 O SER A 45 64.083 4.163 -5.239 1.00 0.30 O ATOM 684 CB SER A 45 66.353 3.409 -6.592 1.00 0.33 C ATOM 685 OG SER A 45 65.669 4.263 -7.500 1.00 0.34 O ATOM 0 H SER A 45 66.515 2.242 -4.209 1.00 0.28 H new ATOM 0 HA SER A 45 67.105 5.003 -5.315 1.00 0.30 H new ATOM 0 HB2 SER A 45 67.340 3.160 -6.982 1.00 0.33 H new ATOM 0 HB3 SER A 45 65.810 2.471 -6.478 1.00 0.33 H new ATOM 0 HG SER A 45 65.586 3.817 -8.369 1.00 0.34 H new ATOM 691 N THR A 46 65.096 5.393 -3.726 1.00 0.29 N ATOM 692 CA THR A 46 63.806 5.887 -3.173 1.00 0.29 C ATOM 693 C THR A 46 63.323 7.067 -4.008 1.00 0.33 C ATOM 694 O THR A 46 63.244 8.178 -3.537 1.00 0.36 O ATOM 695 CB THR A 46 64.133 6.340 -1.751 1.00 0.33 C ATOM 696 OG1 THR A 46 65.066 7.409 -1.802 1.00 0.41 O ATOM 697 CG2 THR A 46 64.733 5.173 -0.967 1.00 0.46 C ATOM 0 H THR A 46 65.929 5.755 -3.263 1.00 0.29 H new ATOM 0 HA THR A 46 63.022 5.129 -3.185 1.00 0.29 H new ATOM 0 HB THR A 46 63.221 6.675 -1.256 1.00 0.33 H new ATOM 0 HG1 THR A 46 64.699 8.137 -2.345 1.00 0.41 H new ATOM 0 HG21 THR A 46 64.966 5.497 0.047 1.00 0.46 H new ATOM 0 HG22 THR A 46 64.016 4.353 -0.930 1.00 0.46 H new ATOM 0 HG23 THR A 46 65.646 4.835 -1.458 1.00 0.46 H new ATOM 705 N GLY A 47 63.025 6.837 -5.253 1.00 0.38 N ATOM 706 CA GLY A 47 62.568 7.955 -6.126 1.00 0.50 C ATOM 707 C GLY A 47 61.046 8.075 -6.096 1.00 0.42 C ATOM 708 O GLY A 47 60.398 8.047 -7.122 1.00 0.93 O ATOM 0 H GLY A 47 63.077 5.925 -5.706 1.00 0.38 H new ATOM 0 HA2 GLY A 47 63.018 8.890 -5.793 1.00 0.50 H new ATOM 0 HA3 GLY A 47 62.904 7.785 -7.149 1.00 0.50 H new ATOM 712 N ASN A 48 60.470 8.227 -4.933 1.00 0.44 N ATOM 713 CA ASN A 48 58.987 8.367 -4.855 1.00 0.52 C ATOM 714 C ASN A 48 58.484 8.187 -3.408 1.00 0.42 C ATOM 715 O ASN A 48 57.295 8.174 -3.160 1.00 0.50 O ATOM 716 CB ASN A 48 58.441 7.259 -5.758 1.00 0.93 C ATOM 717 CG ASN A 48 57.003 6.919 -5.358 1.00 0.98 C ATOM 718 OD1 ASN A 48 56.191 7.801 -5.159 1.00 1.68 O ATOM 719 ND2 ASN A 48 56.652 5.669 -5.233 1.00 1.58 N ATOM 0 H ASN A 48 60.959 8.260 -4.039 1.00 0.44 H new ATOM 0 HA ASN A 48 58.657 9.358 -5.168 1.00 0.52 H new ATOM 0 HB2 ASN A 48 58.472 7.579 -6.799 1.00 0.93 H new ATOM 0 HB3 ASN A 48 59.069 6.371 -5.679 1.00 0.93 H new ATOM 0 HD21 ASN A 48 55.696 5.432 -4.968 1.00 1.58 H new ATOM 0 HD22 ASN A 48 57.334 4.929 -5.400 1.00 1.58 H new ATOM 726 N ASN A 49 59.369 8.041 -2.452 1.00 0.38 N ATOM 727 CA ASN A 49 58.914 7.852 -1.036 1.00 0.32 C ATOM 728 C ASN A 49 60.039 8.151 -0.047 1.00 0.33 C ATOM 729 O ASN A 49 61.193 7.863 -0.297 1.00 0.36 O ATOM 730 CB ASN A 49 58.525 6.376 -0.953 1.00 0.35 C ATOM 731 CG ASN A 49 57.007 6.238 -1.073 1.00 1.21 C ATOM 732 OD1 ASN A 49 56.303 6.257 -0.083 1.00 2.17 O ATOM 733 ND2 ASN A 49 56.470 6.099 -2.254 1.00 1.50 N ATOM 0 H ASN A 49 60.380 8.044 -2.588 1.00 0.38 H new ATOM 0 HA ASN A 49 58.094 8.524 -0.783 1.00 0.32 H new ATOM 0 HB2 ASN A 49 59.015 5.815 -1.749 1.00 0.35 H new ATOM 0 HB3 ASN A 49 58.865 5.952 -0.008 1.00 0.35 H new ATOM 0 HD21 ASN A 49 55.458 6.006 -2.347 1.00 1.50 H new ATOM 0 HD22 ASN A 49 57.062 6.083 -3.085 1.00 1.50 H new ATOM 740 N ASP A 50 59.705 8.689 1.098 1.00 0.31 N ATOM 741 CA ASP A 50 60.751 8.956 2.116 1.00 0.33 C ATOM 742 C ASP A 50 61.069 7.621 2.775 1.00 0.29 C ATOM 743 O ASP A 50 60.440 7.223 3.735 1.00 0.30 O ATOM 744 CB ASP A 50 60.118 9.936 3.104 1.00 0.38 C ATOM 745 CG ASP A 50 60.137 11.346 2.509 1.00 1.13 C ATOM 746 OD1 ASP A 50 59.481 11.551 1.501 1.00 1.70 O ATOM 747 OD2 ASP A 50 60.807 12.196 3.072 1.00 1.91 O ATOM 0 H ASP A 50 58.757 8.952 1.366 1.00 0.31 H new ATOM 0 HA ASP A 50 61.674 9.378 1.717 1.00 0.33 H new ATOM 0 HB2 ASP A 50 59.093 9.636 3.323 1.00 0.38 H new ATOM 0 HB3 ASP A 50 60.664 9.921 4.048 1.00 0.38 H new ATOM 752 N LEU A 51 61.992 6.895 2.221 1.00 0.27 N ATOM 753 CA LEU A 51 62.297 5.544 2.767 1.00 0.26 C ATOM 754 C LEU A 51 63.255 5.580 3.946 1.00 0.25 C ATOM 755 O LEU A 51 64.268 6.248 3.928 1.00 0.30 O ATOM 756 CB LEU A 51 62.947 4.787 1.608 1.00 0.25 C ATOM 757 CG LEU A 51 63.905 3.740 2.172 1.00 0.30 C ATOM 758 CD1 LEU A 51 63.112 2.686 2.946 1.00 0.51 C ATOM 759 CD2 LEU A 51 64.675 3.071 1.032 1.00 0.26 C ATOM 0 H LEU A 51 62.550 7.175 1.414 1.00 0.27 H new ATOM 0 HA LEU A 51 61.386 5.077 3.141 1.00 0.26 H new ATOM 0 HB2 LEU A 51 62.183 4.307 0.996 1.00 0.25 H new ATOM 0 HB3 LEU A 51 63.485 5.480 0.961 1.00 0.25 H new ATOM 0 HG LEU A 51 64.613 4.226 2.843 1.00 0.30 H new ATOM 0 HD11 LEU A 51 63.796 1.939 3.348 1.00 0.51 H new ATOM 0 HD12 LEU A 51 62.574 3.164 3.765 1.00 0.51 H new ATOM 0 HD13 LEU A 51 62.400 2.203 2.277 1.00 0.51 H new ATOM 0 HD21 LEU A 51 65.356 2.325 1.442 1.00 0.26 H new ATOM 0 HD22 LEU A 51 63.973 2.587 0.353 1.00 0.26 H new ATOM 0 HD23 LEU A 51 65.245 3.823 0.487 1.00 0.26 H new ATOM 771 N ILE A 52 62.971 4.790 4.941 1.00 0.25 N ATOM 772 CA ILE A 52 63.890 4.691 6.095 1.00 0.26 C ATOM 773 C ILE A 52 64.317 3.244 6.248 1.00 0.27 C ATOM 774 O ILE A 52 63.507 2.369 6.482 1.00 0.30 O ATOM 775 CB ILE A 52 63.129 5.103 7.337 1.00 0.26 C ATOM 776 CG1 ILE A 52 62.507 6.483 7.144 1.00 0.26 C ATOM 777 CG2 ILE A 52 64.132 5.128 8.488 1.00 0.29 C ATOM 778 CD1 ILE A 52 62.146 7.081 8.506 1.00 0.30 C ATOM 0 H ILE A 52 62.136 4.207 5.001 1.00 0.25 H new ATOM 0 HA ILE A 52 64.763 5.328 5.949 1.00 0.26 H new ATOM 0 HB ILE A 52 62.319 4.404 7.545 1.00 0.26 H new ATOM 0 HG12 ILE A 52 63.205 7.137 6.622 1.00 0.26 H new ATOM 0 HG13 ILE A 52 61.615 6.407 6.522 1.00 0.26 H new ATOM 0 HG21 ILE A 52 63.624 5.421 9.407 1.00 0.29 H new ATOM 0 HG22 ILE A 52 64.566 4.136 8.614 1.00 0.29 H new ATOM 0 HG23 ILE A 52 64.923 5.845 8.266 1.00 0.29 H new ATOM 0 HD11 ILE A 52 61.702 8.066 8.365 1.00 0.30 H new ATOM 0 HD12 ILE A 52 61.432 6.431 9.011 1.00 0.30 H new ATOM 0 HD13 ILE A 52 63.046 7.172 9.113 1.00 0.30 H new ATOM 790 N TYR A 53 65.572 2.981 6.140 1.00 0.27 N ATOM 791 CA TYR A 53 66.024 1.568 6.308 1.00 0.30 C ATOM 792 C TYR A 53 67.029 1.469 7.451 1.00 0.24 C ATOM 793 O TYR A 53 68.132 1.972 7.372 1.00 0.26 O ATOM 794 CB TYR A 53 66.659 1.110 4.983 1.00 0.41 C ATOM 795 CG TYR A 53 67.207 2.270 4.186 1.00 0.37 C ATOM 796 CD1 TYR A 53 66.356 3.285 3.744 1.00 1.44 C ATOM 797 CD2 TYR A 53 68.569 2.308 3.861 1.00 1.05 C ATOM 798 CE1 TYR A 53 66.864 4.344 2.982 1.00 1.72 C ATOM 799 CE2 TYR A 53 69.076 3.363 3.094 1.00 1.03 C ATOM 800 CZ TYR A 53 68.223 4.381 2.655 1.00 0.98 C ATOM 801 OH TYR A 53 68.722 5.419 1.898 1.00 1.34 O ATOM 0 H TYR A 53 66.306 3.663 5.946 1.00 0.27 H new ATOM 0 HA TYR A 53 65.178 0.926 6.554 1.00 0.30 H new ATOM 0 HB2 TYR A 53 67.461 0.402 5.191 1.00 0.41 H new ATOM 0 HB3 TYR A 53 65.914 0.581 4.388 1.00 0.41 H new ATOM 0 HD1 TYR A 53 65.305 3.253 3.990 1.00 1.44 H new ATOM 0 HD2 TYR A 53 69.228 1.523 4.202 1.00 1.05 H new ATOM 0 HE1 TYR A 53 66.206 5.132 2.647 1.00 1.72 H new ATOM 0 HE2 TYR A 53 70.126 3.391 2.841 1.00 1.03 H new ATOM 0 HH TYR A 53 68.470 5.290 0.960 1.00 1.34 H new ATOM 811 N TYR A 54 66.650 0.820 8.516 1.00 0.19 N ATOM 812 CA TYR A 54 67.576 0.683 9.671 1.00 0.18 C ATOM 813 C TYR A 54 68.814 -0.104 9.241 1.00 0.18 C ATOM 814 O TYR A 54 68.798 -1.317 9.176 1.00 0.20 O ATOM 815 CB TYR A 54 66.783 -0.096 10.721 1.00 0.21 C ATOM 816 CG TYR A 54 65.613 0.735 11.187 1.00 0.25 C ATOM 817 CD1 TYR A 54 64.395 0.676 10.500 1.00 1.23 C ATOM 818 CD2 TYR A 54 65.746 1.566 12.306 1.00 1.25 C ATOM 819 CE1 TYR A 54 63.310 1.447 10.931 1.00 1.26 C ATOM 820 CE2 TYR A 54 64.661 2.337 12.737 1.00 1.25 C ATOM 821 CZ TYR A 54 63.443 2.278 12.050 1.00 0.39 C ATOM 822 OH TYR A 54 62.372 3.039 12.475 1.00 0.47 O ATOM 0 H TYR A 54 65.738 0.379 8.635 1.00 0.19 H new ATOM 0 HA TYR A 54 67.918 1.644 10.054 1.00 0.18 H new ATOM 0 HB2 TYR A 54 66.429 -1.037 10.301 1.00 0.21 H new ATOM 0 HB3 TYR A 54 67.425 -0.345 11.566 1.00 0.21 H new ATOM 0 HD1 TYR A 54 64.293 0.035 9.637 1.00 1.23 H new ATOM 0 HD2 TYR A 54 66.686 1.612 12.836 1.00 1.25 H new ATOM 0 HE1 TYR A 54 62.370 1.401 10.401 1.00 1.26 H new ATOM 0 HE2 TYR A 54 64.763 2.978 13.600 1.00 1.25 H new ATOM 0 HH TYR A 54 61.811 3.272 11.706 1.00 0.47 H new ATOM 832 N ASP A 55 69.883 0.574 8.932 1.00 0.21 N ATOM 833 CA ASP A 55 71.115 -0.147 8.490 1.00 0.24 C ATOM 834 C ASP A 55 71.730 -0.931 9.654 1.00 0.27 C ATOM 835 O ASP A 55 71.259 -0.869 10.770 1.00 0.30 O ATOM 836 CB ASP A 55 72.069 0.951 8.019 1.00 0.31 C ATOM 837 CG ASP A 55 72.839 0.465 6.789 1.00 1.03 C ATOM 838 OD1 ASP A 55 72.441 -0.541 6.225 1.00 1.74 O ATOM 839 OD2 ASP A 55 73.812 1.108 6.432 1.00 1.80 O ATOM 0 H ASP A 55 69.960 1.591 8.965 1.00 0.21 H new ATOM 0 HA ASP A 55 70.904 -0.872 7.704 1.00 0.24 H new ATOM 0 HB2 ASP A 55 71.509 1.855 7.777 1.00 0.31 H new ATOM 0 HB3 ASP A 55 72.764 1.211 8.817 1.00 0.31 H new ATOM 844 N ALA A 56 72.775 -1.676 9.396 1.00 0.32 N ATOM 845 CA ALA A 56 73.424 -2.473 10.486 1.00 0.36 C ATOM 846 C ALA A 56 73.386 -1.713 11.817 1.00 0.40 C ATOM 847 O ALA A 56 73.326 -2.302 12.878 1.00 0.47 O ATOM 848 CB ALA A 56 74.871 -2.664 10.031 1.00 0.43 C ATOM 0 H ALA A 56 73.209 -1.768 8.477 1.00 0.32 H new ATOM 0 HA ALA A 56 72.911 -3.421 10.651 1.00 0.36 H new ATOM 0 HB1 ALA A 56 75.415 -3.241 10.779 1.00 0.43 H new ATOM 0 HB2 ALA A 56 74.886 -3.197 9.080 1.00 0.43 H new ATOM 0 HB3 ALA A 56 75.345 -1.690 9.909 1.00 0.43 H new ATOM 854 N ASN A 57 73.419 -0.413 11.766 1.00 0.40 N ATOM 855 CA ASN A 57 73.383 0.390 13.022 1.00 0.46 C ATOM 856 C ASN A 57 71.945 0.696 13.389 1.00 0.40 C ATOM 857 O ASN A 57 71.668 1.667 14.064 1.00 0.46 O ATOM 858 CB ASN A 57 74.085 1.704 12.679 1.00 0.51 C ATOM 859 CG ASN A 57 75.601 1.501 12.692 1.00 0.64 C ATOM 860 OD1 ASN A 57 76.315 2.213 13.370 1.00 1.29 O ATOM 861 ND2 ASN A 57 76.127 0.552 11.967 1.00 1.15 N ATOM 0 H ASN A 57 73.470 0.133 10.906 1.00 0.40 H new ATOM 0 HA ASN A 57 73.852 -0.137 13.853 1.00 0.46 H new ATOM 0 HB2 ASN A 57 73.764 2.053 11.697 1.00 0.51 H new ATOM 0 HB3 ASN A 57 73.806 2.474 13.398 1.00 0.51 H new ATOM 0 HD21 ASN A 57 77.137 0.408 11.970 1.00 1.15 H new ATOM 0 HD22 ASN A 57 75.528 -0.046 11.398 1.00 1.15 H new ATOM 868 N GLY A 58 71.013 -0.072 12.905 1.00 0.33 N ATOM 869 CA GLY A 58 69.602 0.273 13.198 1.00 0.34 C ATOM 870 C GLY A 58 69.491 1.751 12.853 1.00 0.32 C ATOM 871 O GLY A 58 68.731 2.502 13.431 1.00 0.39 O ATOM 0 H GLY A 58 71.162 -0.903 12.333 1.00 0.33 H new ATOM 0 HA2 GLY A 58 68.915 -0.327 12.601 1.00 0.34 H new ATOM 0 HA3 GLY A 58 69.358 0.090 14.244 1.00 0.34 H new ATOM 875 N ASP A 59 70.302 2.158 11.909 1.00 0.29 N ATOM 876 CA ASP A 59 70.345 3.567 11.481 1.00 0.35 C ATOM 877 C ASP A 59 69.156 3.859 10.583 1.00 0.28 C ATOM 878 O ASP A 59 69.256 3.794 9.375 1.00 0.25 O ATOM 879 CB ASP A 59 71.649 3.695 10.692 1.00 0.44 C ATOM 880 CG ASP A 59 72.431 4.912 11.191 1.00 0.76 C ATOM 881 OD1 ASP A 59 71.879 5.999 11.161 1.00 1.40 O ATOM 882 OD2 ASP A 59 73.568 4.735 11.595 1.00 1.39 O ATOM 0 H ASP A 59 70.949 1.546 11.411 1.00 0.29 H new ATOM 0 HA ASP A 59 70.304 4.264 12.318 1.00 0.35 H new ATOM 0 HB2 ASP A 59 72.248 2.792 10.810 1.00 0.44 H new ATOM 0 HB3 ASP A 59 71.434 3.799 9.628 1.00 0.44 H new ATOM 887 N SER A 60 68.032 4.164 11.157 1.00 0.28 N ATOM 888 CA SER A 60 66.840 4.453 10.326 1.00 0.24 C ATOM 889 C SER A 60 67.221 5.434 9.221 1.00 0.24 C ATOM 890 O SER A 60 67.033 6.628 9.337 1.00 0.23 O ATOM 891 CB SER A 60 65.845 5.069 11.293 1.00 0.27 C ATOM 892 OG SER A 60 65.131 6.112 10.641 1.00 0.24 O ATOM 0 H SER A 60 67.888 4.226 12.165 1.00 0.28 H new ATOM 0 HA SER A 60 66.428 3.571 9.836 1.00 0.24 H new ATOM 0 HB2 SER A 60 65.151 4.308 11.651 1.00 0.27 H new ATOM 0 HB3 SER A 60 66.366 5.462 12.166 1.00 0.27 H new ATOM 0 HG SER A 60 65.753 6.827 10.391 1.00 0.24 H new ATOM 898 N VAL A 61 67.763 4.929 8.153 1.00 0.26 N ATOM 899 CA VAL A 61 68.170 5.820 7.030 1.00 0.26 C ATOM 900 C VAL A 61 66.937 6.280 6.290 1.00 0.24 C ATOM 901 O VAL A 61 66.461 5.635 5.377 1.00 0.24 O ATOM 902 CB VAL A 61 69.057 4.987 6.121 1.00 0.27 C ATOM 903 CG1 VAL A 61 69.263 5.756 4.817 1.00 0.29 C ATOM 904 CG2 VAL A 61 70.408 4.754 6.802 1.00 0.34 C ATOM 0 H VAL A 61 67.943 3.936 8.006 1.00 0.26 H new ATOM 0 HA VAL A 61 68.701 6.704 7.382 1.00 0.26 H new ATOM 0 HB VAL A 61 68.592 4.022 5.917 1.00 0.27 H new ATOM 0 HG11 VAL A 61 69.898 5.175 4.148 1.00 0.29 H new ATOM 0 HG12 VAL A 61 68.298 5.930 4.341 1.00 0.29 H new ATOM 0 HG13 VAL A 61 69.740 6.713 5.030 1.00 0.29 H new ATOM 0 HG21 VAL A 61 71.046 4.156 6.151 1.00 0.34 H new ATOM 0 HG22 VAL A 61 70.887 5.713 6.998 1.00 0.34 H new ATOM 0 HG23 VAL A 61 70.255 4.226 7.743 1.00 0.34 H new ATOM 914 N ARG A 62 66.406 7.381 6.700 1.00 0.25 N ATOM 915 CA ARG A 62 65.179 7.890 6.063 1.00 0.26 C ATOM 916 C ARG A 62 65.492 8.787 4.869 1.00 0.30 C ATOM 917 O ARG A 62 65.673 9.980 5.008 1.00 0.36 O ATOM 918 CB ARG A 62 64.483 8.699 7.158 1.00 0.31 C ATOM 919 CG ARG A 62 63.275 9.430 6.567 1.00 1.26 C ATOM 920 CD ARG A 62 63.644 10.889 6.290 1.00 1.89 C ATOM 921 NE ARG A 62 62.687 11.688 7.105 1.00 1.96 N ATOM 922 CZ ARG A 62 63.067 12.196 8.245 1.00 2.40 C ATOM 923 NH1 ARG A 62 64.269 12.687 8.373 1.00 2.71 N ATOM 924 NH2 ARG A 62 62.244 12.212 9.258 1.00 3.07 N ATOM 0 H ARG A 62 66.773 7.957 7.458 1.00 0.25 H new ATOM 0 HA ARG A 62 64.565 7.077 5.677 1.00 0.26 H new ATOM 0 HB2 ARG A 62 64.163 8.039 7.964 1.00 0.31 H new ATOM 0 HB3 ARG A 62 65.179 9.417 7.592 1.00 0.31 H new ATOM 0 HG2 ARG A 62 62.958 8.943 5.645 1.00 1.26 H new ATOM 0 HG3 ARG A 62 62.434 9.382 7.259 1.00 1.26 H new ATOM 0 HD2 ARG A 62 64.675 11.097 6.575 1.00 1.89 H new ATOM 0 HD3 ARG A 62 63.553 11.125 5.230 1.00 1.89 H new ATOM 0 HE ARG A 62 61.735 11.838 6.772 1.00 1.96 H new ATOM 0 HH11 ARG A 62 64.912 12.674 7.581 1.00 2.71 H new ATOM 0 HH12 ARG A 62 64.565 13.084 9.265 1.00 2.71 H new ATOM 0 HH21 ARG A 62 61.305 11.827 9.158 1.00 3.07 H new ATOM 0 HH22 ARG A 62 62.540 12.609 10.150 1.00 3.07 H new ATOM 938 N VAL A 63 65.505 8.236 3.693 1.00 0.32 N ATOM 939 CA VAL A 63 65.743 9.077 2.497 1.00 0.40 C ATOM 940 C VAL A 63 64.416 9.737 2.156 1.00 0.41 C ATOM 941 O VAL A 63 63.367 9.177 2.413 1.00 0.57 O ATOM 942 CB VAL A 63 66.181 8.116 1.394 1.00 0.46 C ATOM 943 CG1 VAL A 63 66.083 8.819 0.039 1.00 0.56 C ATOM 944 CG2 VAL A 63 67.629 7.688 1.640 1.00 0.68 C ATOM 0 H VAL A 63 65.362 7.243 3.509 1.00 0.32 H new ATOM 0 HA VAL A 63 66.499 9.850 2.638 1.00 0.40 H new ATOM 0 HB VAL A 63 65.535 7.238 1.397 1.00 0.46 H new ATOM 0 HG11 VAL A 63 66.395 8.134 -0.750 1.00 0.56 H new ATOM 0 HG12 VAL A 63 65.053 9.129 -0.136 1.00 0.56 H new ATOM 0 HG13 VAL A 63 66.731 9.695 0.036 1.00 0.56 H new ATOM 0 HG21 VAL A 63 67.944 7.002 0.854 1.00 0.68 H new ATOM 0 HG22 VAL A 63 68.274 8.567 1.635 1.00 0.68 H new ATOM 0 HG23 VAL A 63 67.702 7.190 2.607 1.00 0.68 H new ATOM 954 N ASP A 64 64.424 10.908 1.599 1.00 0.39 N ATOM 955 CA ASP A 64 63.134 11.552 1.288 1.00 0.41 C ATOM 956 C ASP A 64 62.826 11.397 -0.187 1.00 0.47 C ATOM 957 O ASP A 64 62.957 12.316 -0.964 1.00 0.72 O ATOM 958 CB ASP A 64 63.290 13.022 1.664 1.00 0.44 C ATOM 959 CG ASP A 64 64.620 13.555 1.127 1.00 0.51 C ATOM 960 OD1 ASP A 64 65.647 13.021 1.510 1.00 1.11 O ATOM 961 OD2 ASP A 64 64.588 14.489 0.343 1.00 1.28 O ATOM 0 H ASP A 64 65.258 11.439 1.349 1.00 0.39 H new ATOM 0 HA ASP A 64 62.309 11.099 1.838 1.00 0.41 H new ATOM 0 HB2 ASP A 64 62.463 13.602 1.254 1.00 0.44 H new ATOM 0 HB3 ASP A 64 63.253 13.136 2.747 1.00 0.44 H new ATOM 966 N ARG A 65 62.416 10.227 -0.557 1.00 0.33 N ATOM 967 CA ARG A 65 62.068 9.941 -1.974 1.00 0.37 C ATOM 968 C ARG A 65 63.082 10.568 -2.940 1.00 0.35 C ATOM 969 O ARG A 65 64.019 11.227 -2.538 1.00 0.39 O ATOM 970 CB ARG A 65 60.656 10.515 -2.174 1.00 0.47 C ATOM 971 CG ARG A 65 60.556 11.977 -1.689 1.00 0.47 C ATOM 972 CD ARG A 65 61.342 12.924 -2.611 1.00 0.83 C ATOM 973 NE ARG A 65 61.668 14.103 -1.761 1.00 1.20 N ATOM 974 CZ ARG A 65 61.124 15.262 -2.015 1.00 1.63 C ATOM 975 NH1 ARG A 65 59.848 15.443 -1.807 1.00 2.31 N ATOM 976 NH2 ARG A 65 61.855 16.238 -2.478 1.00 2.12 N ATOM 0 H ARG A 65 62.303 9.434 0.075 1.00 0.33 H new ATOM 0 HA ARG A 65 62.094 8.872 -2.186 1.00 0.37 H new ATOM 0 HB2 ARG A 65 60.389 10.463 -3.230 1.00 0.47 H new ATOM 0 HB3 ARG A 65 59.935 9.903 -1.633 1.00 0.47 H new ATOM 0 HG2 ARG A 65 59.510 12.282 -1.657 1.00 0.47 H new ATOM 0 HG3 ARG A 65 60.941 12.053 -0.672 1.00 0.47 H new ATOM 0 HD2 ARG A 65 62.246 12.447 -2.989 1.00 0.83 H new ATOM 0 HD3 ARG A 65 60.749 13.214 -3.478 1.00 0.83 H new ATOM 0 HE ARG A 65 62.317 14.005 -0.980 1.00 1.20 H new ATOM 0 HH11 ARG A 65 59.277 14.679 -1.446 1.00 2.31 H new ATOM 0 HH12 ARG A 65 59.422 16.348 -2.005 1.00 2.31 H new ATOM 0 HH21 ARG A 65 62.852 16.095 -2.642 1.00 2.12 H new ATOM 0 HH22 ARG A 65 61.430 17.144 -2.677 1.00 2.12 H new ATOM 990 N TRP A 66 62.900 10.342 -4.215 1.00 0.37 N ATOM 991 CA TRP A 66 63.844 10.893 -5.232 1.00 0.37 C ATOM 992 C TRP A 66 65.263 10.981 -4.664 1.00 0.35 C ATOM 993 O TRP A 66 65.863 12.037 -4.616 1.00 0.37 O ATOM 994 CB TRP A 66 63.288 12.272 -5.581 1.00 0.42 C ATOM 995 CG TRP A 66 62.110 12.094 -6.486 1.00 0.69 C ATOM 996 CD1 TRP A 66 62.149 12.139 -7.834 1.00 1.26 C ATOM 997 CD2 TRP A 66 60.723 11.828 -6.134 1.00 0.67 C ATOM 998 NE1 TRP A 66 60.874 11.917 -8.321 1.00 1.60 N ATOM 999 CE2 TRP A 66 59.963 11.726 -7.315 1.00 1.22 C ATOM 1000 CE3 TRP A 66 60.061 11.670 -4.917 1.00 0.48 C ATOM 1001 CZ2 TRP A 66 58.591 11.476 -7.290 1.00 1.35 C ATOM 1002 CZ3 TRP A 66 58.685 11.417 -4.877 1.00 0.53 C ATOM 1003 CH2 TRP A 66 57.947 11.321 -6.063 1.00 0.90 C ATOM 0 H TRP A 66 62.130 9.794 -4.599 1.00 0.37 H new ATOM 0 HA TRP A 66 63.919 10.259 -6.115 1.00 0.37 H new ATOM 0 HB2 TRP A 66 62.993 12.802 -4.675 1.00 0.42 H new ATOM 0 HB3 TRP A 66 64.053 12.876 -6.069 1.00 0.42 H new ATOM 0 HD1 TRP A 66 63.030 12.319 -8.433 1.00 1.26 H new ATOM 0 HE1 TRP A 66 60.639 11.898 -9.313 1.00 1.60 H new ATOM 0 HE3 TRP A 66 60.617 11.744 -3.994 1.00 0.48 H new ATOM 0 HZ2 TRP A 66 58.033 11.403 -8.212 1.00 1.35 H new ATOM 0 HZ3 TRP A 66 58.189 11.295 -3.925 1.00 0.53 H new ATOM 0 HH2 TRP A 66 56.885 11.128 -6.028 1.00 0.90 H new ATOM 1014 N HIS A 67 65.804 9.868 -4.237 1.00 0.34 N ATOM 1015 CA HIS A 67 67.188 9.873 -3.675 1.00 0.34 C ATOM 1016 C HIS A 67 67.826 8.484 -3.819 1.00 0.35 C ATOM 1017 O HIS A 67 67.222 7.478 -3.503 1.00 0.37 O ATOM 1018 CB HIS A 67 67.016 10.233 -2.200 1.00 0.34 C ATOM 1019 CG HIS A 67 67.451 11.656 -1.977 1.00 0.47 C ATOM 1020 ND1 HIS A 67 66.636 12.589 -1.357 1.00 1.11 N ATOM 1021 CD2 HIS A 67 68.613 12.318 -2.287 1.00 1.29 C ATOM 1022 CE1 HIS A 67 67.312 13.752 -1.313 1.00 0.94 C ATOM 1023 NE2 HIS A 67 68.523 13.642 -1.866 1.00 1.05 N ATOM 0 H HIS A 67 65.347 8.956 -4.253 1.00 0.34 H new ATOM 0 HA HIS A 67 67.840 10.576 -4.193 1.00 0.34 H new ATOM 0 HB2 HIS A 67 65.974 10.109 -1.903 1.00 0.34 H new ATOM 0 HB3 HIS A 67 67.606 9.559 -1.579 1.00 0.34 H new ATOM 0 HD2 HIS A 67 69.467 11.879 -2.782 1.00 1.29 H new ATOM 0 HE1 HIS A 67 66.923 14.663 -0.883 1.00 0.94 H new ATOM 0 HE2 HIS A 67 69.230 14.371 -1.960 1.00 1.05 H new ATOM 1031 N ASP A 68 69.043 8.424 -4.292 1.00 0.38 N ATOM 1032 CA ASP A 68 69.723 7.103 -4.455 1.00 0.40 C ATOM 1033 C ASP A 68 70.901 6.989 -3.482 1.00 0.42 C ATOM 1034 O ASP A 68 71.929 7.614 -3.660 1.00 0.56 O ATOM 1035 CB ASP A 68 70.220 7.090 -5.901 1.00 0.46 C ATOM 1036 CG ASP A 68 71.103 8.313 -6.151 1.00 0.92 C ATOM 1037 OD1 ASP A 68 70.560 9.356 -6.475 1.00 1.47 O ATOM 1038 OD2 ASP A 68 72.309 8.186 -6.013 1.00 1.63 O ATOM 0 H ASP A 68 69.597 9.233 -4.573 1.00 0.38 H new ATOM 0 HA ASP A 68 69.056 6.267 -4.245 1.00 0.40 H new ATOM 0 HB2 ASP A 68 70.783 6.177 -6.094 1.00 0.46 H new ATOM 0 HB3 ASP A 68 69.373 7.094 -6.587 1.00 0.46 H new ATOM 1043 N ILE A 69 70.761 6.197 -2.453 1.00 0.32 N ATOM 1044 CA ILE A 69 71.868 6.043 -1.469 1.00 0.34 C ATOM 1045 C ILE A 69 72.314 4.577 -1.411 1.00 0.34 C ATOM 1046 O ILE A 69 71.578 3.683 -1.778 1.00 0.40 O ATOM 1047 CB ILE A 69 71.263 6.493 -0.139 1.00 0.34 C ATOM 1048 CG1 ILE A 69 72.207 7.481 0.547 1.00 0.73 C ATOM 1049 CG2 ILE A 69 71.048 5.285 0.768 1.00 0.82 C ATOM 1050 CD1 ILE A 69 73.628 6.921 0.533 1.00 1.40 C ATOM 0 H ILE A 69 69.925 5.649 -2.252 1.00 0.32 H new ATOM 0 HA ILE A 69 72.753 6.625 -1.727 1.00 0.34 H new ATOM 0 HB ILE A 69 70.305 6.976 -0.329 1.00 0.34 H new ATOM 0 HG12 ILE A 69 72.179 8.443 0.035 1.00 0.73 H new ATOM 0 HG13 ILE A 69 71.884 7.657 1.573 1.00 0.73 H new ATOM 0 HG21 ILE A 69 70.617 5.612 1.714 1.00 0.82 H new ATOM 0 HG22 ILE A 69 70.370 4.583 0.284 1.00 0.82 H new ATOM 0 HG23 ILE A 69 72.004 4.796 0.955 1.00 0.82 H new ATOM 0 HD11 ILE A 69 74.301 7.625 1.022 1.00 1.40 H new ATOM 0 HD12 ILE A 69 73.649 5.970 1.064 1.00 1.40 H new ATOM 0 HD13 ILE A 69 73.949 6.768 -0.497 1.00 1.40 H new ATOM 1062 N THR A 70 73.510 4.319 -0.953 1.00 0.33 N ATOM 1063 CA THR A 70 73.982 2.907 -0.879 1.00 0.32 C ATOM 1064 C THR A 70 74.764 2.659 0.412 1.00 0.33 C ATOM 1065 O THR A 70 74.735 3.451 1.333 1.00 0.41 O ATOM 1066 CB THR A 70 74.888 2.720 -2.093 1.00 0.33 C ATOM 1067 OG1 THR A 70 74.329 3.398 -3.210 1.00 0.37 O ATOM 1068 CG2 THR A 70 75.002 1.229 -2.398 1.00 0.29 C ATOM 0 H THR A 70 74.176 5.020 -0.629 1.00 0.33 H new ATOM 0 HA THR A 70 73.148 2.206 -0.878 1.00 0.32 H new ATOM 0 HB THR A 70 75.877 3.129 -1.887 1.00 0.33 H new ATOM 0 HG1 THR A 70 74.911 3.280 -3.989 1.00 0.37 H new ATOM 0 HG21 THR A 70 75.647 1.083 -3.264 1.00 0.29 H new ATOM 0 HG22 THR A 70 75.428 0.713 -1.537 1.00 0.29 H new ATOM 0 HG23 THR A 70 74.012 0.824 -2.611 1.00 0.29 H new ATOM 1076 N TYR A 71 75.452 1.551 0.487 1.00 0.30 N ATOM 1077 CA TYR A 71 76.226 1.230 1.718 1.00 0.32 C ATOM 1078 C TYR A 71 77.504 0.462 1.370 1.00 0.30 C ATOM 1079 O TYR A 71 77.815 -0.534 1.991 1.00 0.34 O ATOM 1080 CB TYR A 71 75.286 0.348 2.529 1.00 0.32 C ATOM 1081 CG TYR A 71 74.180 1.198 3.100 1.00 0.43 C ATOM 1082 CD1 TYR A 71 74.466 2.146 4.089 1.00 1.20 C ATOM 1083 CD2 TYR A 71 72.871 1.044 2.635 1.00 1.40 C ATOM 1084 CE1 TYR A 71 73.440 2.940 4.613 1.00 1.23 C ATOM 1085 CE2 TYR A 71 71.845 1.837 3.157 1.00 1.49 C ATOM 1086 CZ TYR A 71 72.130 2.786 4.147 1.00 0.71 C ATOM 1087 OH TYR A 71 71.120 3.570 4.662 1.00 0.85 O ATOM 0 H TYR A 71 75.510 0.853 -0.255 1.00 0.30 H new ATOM 0 HA TYR A 71 76.539 2.124 2.257 1.00 0.32 H new ATOM 0 HB2 TYR A 71 74.869 -0.437 1.898 1.00 0.32 H new ATOM 0 HB3 TYR A 71 75.833 -0.146 3.332 1.00 0.32 H new ATOM 0 HD1 TYR A 71 75.478 2.265 4.447 1.00 1.20 H new ATOM 0 HD2 TYR A 71 72.652 0.312 1.872 1.00 1.40 H new ATOM 0 HE1 TYR A 71 73.659 3.671 5.377 1.00 1.23 H new ATOM 0 HE2 TYR A 71 70.834 1.718 2.797 1.00 1.49 H new ATOM 0 HH TYR A 71 70.252 3.192 4.410 1.00 0.85 H new ATOM 1097 N PRO A 72 78.203 0.953 0.387 1.00 0.31 N ATOM 1098 CA PRO A 72 79.463 0.302 -0.045 1.00 0.35 C ATOM 1099 C PRO A 72 80.568 0.552 0.987 1.00 0.43 C ATOM 1100 O PRO A 72 81.684 0.094 0.841 1.00 0.55 O ATOM 1101 CB PRO A 72 79.781 0.986 -1.371 1.00 0.38 C ATOM 1102 CG PRO A 72 79.100 2.316 -1.295 1.00 0.40 C ATOM 1103 CD PRO A 72 77.894 2.146 -0.408 1.00 0.34 C ATOM 0 HA PRO A 72 79.381 -0.780 -0.143 1.00 0.35 H new ATOM 0 HB2 PRO A 72 80.856 1.101 -1.508 1.00 0.38 H new ATOM 0 HB3 PRO A 72 79.413 0.402 -2.214 1.00 0.38 H new ATOM 0 HG2 PRO A 72 79.773 3.071 -0.889 1.00 0.40 H new ATOM 0 HG3 PRO A 72 78.803 2.654 -2.288 1.00 0.40 H new ATOM 0 HD2 PRO A 72 77.739 3.019 0.226 1.00 0.34 H new ATOM 0 HD3 PRO A 72 76.984 2.011 -0.993 1.00 0.34 H new ATOM 1111 N ASN A 73 80.262 1.273 2.033 1.00 0.45 N ATOM 1112 CA ASN A 73 81.287 1.551 3.080 1.00 0.54 C ATOM 1113 C ASN A 73 80.628 1.575 4.461 1.00 0.59 C ATOM 1114 O ASN A 73 81.068 0.918 5.385 1.00 0.98 O ATOM 1115 CB ASN A 73 81.851 2.928 2.729 1.00 0.61 C ATOM 1116 CG ASN A 73 83.375 2.847 2.632 1.00 1.46 C ATOM 1117 OD1 ASN A 73 83.977 1.907 3.114 1.00 2.21 O ATOM 1118 ND2 ASN A 73 84.030 3.798 2.025 1.00 2.11 N ATOM 0 H ASN A 73 79.344 1.682 2.207 1.00 0.45 H new ATOM 0 HA ASN A 73 82.067 0.791 3.110 1.00 0.54 H new ATOM 0 HB2 ASN A 73 81.434 3.273 1.783 1.00 0.61 H new ATOM 0 HB3 ASN A 73 81.563 3.655 3.488 1.00 0.61 H new ATOM 0 HD21 ASN A 73 85.047 3.753 1.955 1.00 2.11 H new ATOM 0 HD22 ASN A 73 83.526 4.587 1.620 1.00 2.11 H new ATOM 1125 N ARG A 74 79.573 2.324 4.602 1.00 0.53 N ATOM 1126 CA ARG A 74 78.868 2.396 5.916 1.00 0.57 C ATOM 1127 C ARG A 74 78.509 0.984 6.394 1.00 0.53 C ATOM 1128 O ARG A 74 78.858 0.013 5.755 1.00 0.49 O ATOM 1129 CB ARG A 74 77.606 3.210 5.630 1.00 0.58 C ATOM 1130 CG ARG A 74 77.696 4.562 6.342 1.00 0.71 C ATOM 1131 CD ARG A 74 76.621 5.502 5.793 1.00 1.36 C ATOM 1132 NE ARG A 74 77.265 6.844 5.763 1.00 1.53 N ATOM 1133 CZ ARG A 74 77.088 7.630 4.736 1.00 2.10 C ATOM 1134 NH1 ARG A 74 75.892 7.796 4.240 1.00 2.77 N ATOM 1135 NH2 ARG A 74 78.106 8.251 4.206 1.00 2.63 N ATOM 0 H ARG A 74 79.164 2.894 3.861 1.00 0.53 H new ATOM 0 HA ARG A 74 79.477 2.848 6.699 1.00 0.57 H new ATOM 0 HB2 ARG A 74 77.493 3.360 4.556 1.00 0.58 H new ATOM 0 HB3 ARG A 74 76.725 2.666 5.971 1.00 0.58 H new ATOM 0 HG2 ARG A 74 77.563 4.429 7.416 1.00 0.71 H new ATOM 0 HG3 ARG A 74 78.684 4.997 6.194 1.00 0.71 H new ATOM 0 HD2 ARG A 74 76.299 5.196 4.798 1.00 1.36 H new ATOM 0 HD3 ARG A 74 75.735 5.503 6.428 1.00 1.36 H new ATOM 0 HE ARG A 74 77.845 7.149 6.545 1.00 1.53 H new ATOM 0 HH11 ARG A 74 75.096 7.312 4.655 1.00 2.77 H new ATOM 0 HH12 ARG A 74 75.753 8.410 3.438 1.00 2.77 H new ATOM 0 HH21 ARG A 74 79.040 8.122 4.594 1.00 2.63 H new ATOM 0 HH22 ARG A 74 77.967 8.865 3.403 1.00 2.63 H new ATOM 1149 N PRO A 75 77.817 0.915 7.504 1.00 0.59 N ATOM 1150 CA PRO A 75 77.406 -0.400 8.065 1.00 0.60 C ATOM 1151 C PRO A 75 76.365 -1.060 7.158 1.00 0.50 C ATOM 1152 O PRO A 75 75.230 -0.631 7.099 1.00 0.49 O ATOM 1153 CB PRO A 75 76.810 -0.038 9.425 1.00 0.69 C ATOM 1154 CG PRO A 75 76.385 1.388 9.289 1.00 0.71 C ATOM 1155 CD PRO A 75 77.351 2.034 8.332 1.00 0.69 C ATOM 0 HA PRO A 75 78.227 -1.113 8.148 1.00 0.60 H new ATOM 0 HB2 PRO A 75 75.965 -0.681 9.670 1.00 0.69 H new ATOM 0 HB3 PRO A 75 77.543 -0.158 10.223 1.00 0.69 H new ATOM 0 HG2 PRO A 75 75.364 1.454 8.913 1.00 0.71 H new ATOM 0 HG3 PRO A 75 76.402 1.891 10.256 1.00 0.71 H new ATOM 0 HD2 PRO A 75 76.866 2.803 7.731 1.00 0.69 H new ATOM 0 HD3 PRO A 75 78.176 2.514 8.858 1.00 0.69 H new ATOM 1163 N PRO A 76 76.799 -2.078 6.464 1.00 0.48 N ATOM 1164 CA PRO A 76 75.914 -2.802 5.531 1.00 0.42 C ATOM 1165 C PRO A 76 75.154 -3.928 6.237 1.00 0.58 C ATOM 1166 O PRO A 76 75.680 -4.999 6.464 1.00 1.40 O ATOM 1167 CB PRO A 76 76.887 -3.379 4.515 1.00 0.47 C ATOM 1168 CG PRO A 76 78.205 -3.496 5.229 1.00 0.58 C ATOM 1169 CD PRO A 76 78.146 -2.647 6.479 1.00 0.56 C ATOM 0 HA PRO A 76 75.150 -2.160 5.094 1.00 0.42 H new ATOM 0 HB2 PRO A 76 76.548 -4.352 4.158 1.00 0.47 H new ATOM 0 HB3 PRO A 76 76.971 -2.731 3.643 1.00 0.47 H new ATOM 0 HG2 PRO A 76 78.407 -4.536 5.486 1.00 0.58 H new ATOM 0 HG3 PRO A 76 79.018 -3.164 4.583 1.00 0.58 H new ATOM 0 HD2 PRO A 76 78.316 -3.245 7.375 1.00 0.56 H new ATOM 0 HD3 PRO A 76 78.908 -1.867 6.467 1.00 0.56 H new ATOM 1177 N LYS A 77 73.915 -3.696 6.562 1.00 0.38 N ATOM 1178 CA LYS A 77 73.097 -4.746 7.233 1.00 0.31 C ATOM 1179 C LYS A 77 71.728 -4.172 7.586 1.00 0.27 C ATOM 1180 O LYS A 77 71.342 -4.111 8.736 1.00 0.35 O ATOM 1181 CB LYS A 77 73.857 -5.128 8.499 1.00 0.35 C ATOM 1182 CG LYS A 77 73.357 -6.485 8.989 1.00 0.39 C ATOM 1183 CD LYS A 77 74.390 -7.102 9.935 1.00 0.77 C ATOM 1184 CE LYS A 77 73.678 -7.984 10.964 1.00 0.87 C ATOM 1185 NZ LYS A 77 74.329 -7.659 12.263 1.00 1.24 N ATOM 0 H LYS A 77 73.428 -2.816 6.391 1.00 0.38 H new ATOM 0 HA LYS A 77 72.940 -5.615 6.593 1.00 0.31 H new ATOM 0 HB2 LYS A 77 74.927 -5.172 8.297 1.00 0.35 H new ATOM 0 HB3 LYS A 77 73.709 -4.372 9.270 1.00 0.35 H new ATOM 0 HG2 LYS A 77 72.403 -6.368 9.503 1.00 0.39 H new ATOM 0 HG3 LYS A 77 73.184 -7.148 8.141 1.00 0.39 H new ATOM 0 HD2 LYS A 77 75.109 -7.694 9.369 1.00 0.77 H new ATOM 0 HD3 LYS A 77 74.951 -6.316 10.440 1.00 0.77 H new ATOM 0 HE2 LYS A 77 72.609 -7.772 10.994 1.00 0.87 H new ATOM 0 HE3 LYS A 77 73.787 -9.041 10.721 1.00 0.87 H new ATOM 0 HZ1 LYS A 77 73.895 -8.225 13.020 1.00 1.24 H new ATOM 0 HZ2 LYS A 77 75.344 -7.877 12.207 1.00 1.24 H new ATOM 0 HZ3 LYS A 77 74.203 -6.648 12.471 1.00 1.24 H new ATOM 1199 N VAL A 78 70.999 -3.741 6.599 1.00 0.23 N ATOM 1200 CA VAL A 78 69.657 -3.155 6.860 1.00 0.20 C ATOM 1201 C VAL A 78 68.764 -4.167 7.574 1.00 0.20 C ATOM 1202 O VAL A 78 68.536 -5.259 7.092 1.00 0.23 O ATOM 1203 CB VAL A 78 69.097 -2.829 5.478 1.00 0.21 C ATOM 1204 CG1 VAL A 78 67.798 -2.034 5.625 1.00 0.23 C ATOM 1205 CG2 VAL A 78 70.118 -1.998 4.704 1.00 0.23 C ATOM 0 H VAL A 78 71.275 -3.769 5.618 1.00 0.23 H new ATOM 0 HA VAL A 78 69.709 -2.274 7.500 1.00 0.20 H new ATOM 0 HB VAL A 78 68.894 -3.755 4.939 1.00 0.21 H new ATOM 0 HG11 VAL A 78 67.400 -1.802 4.637 1.00 0.23 H new ATOM 0 HG12 VAL A 78 67.070 -2.626 6.180 1.00 0.23 H new ATOM 0 HG13 VAL A 78 67.998 -1.107 6.163 1.00 0.23 H new ATOM 0 HG21 VAL A 78 69.722 -1.763 3.716 1.00 0.23 H new ATOM 0 HG22 VAL A 78 70.319 -1.073 5.244 1.00 0.23 H new ATOM 0 HG23 VAL A 78 71.043 -2.564 4.599 1.00 0.23 H new ATOM 1215 N ASN A 79 68.253 -3.810 8.717 1.00 0.21 N ATOM 1216 CA ASN A 79 67.369 -4.750 9.459 1.00 0.22 C ATOM 1217 C ASN A 79 65.934 -4.630 8.946 1.00 0.21 C ATOM 1218 O ASN A 79 65.102 -5.479 9.197 1.00 0.24 O ATOM 1219 CB ASN A 79 67.464 -4.311 10.920 1.00 0.24 C ATOM 1220 CG ASN A 79 68.932 -4.297 11.354 1.00 0.56 C ATOM 1221 OD1 ASN A 79 69.258 -3.791 12.410 1.00 1.10 O ATOM 1222 ND2 ASN A 79 69.837 -4.834 10.581 1.00 0.37 N ATOM 0 H ASN A 79 68.409 -2.909 9.170 1.00 0.21 H new ATOM 0 HA ASN A 79 67.664 -5.792 9.332 1.00 0.22 H new ATOM 0 HB2 ASN A 79 67.028 -3.319 11.042 1.00 0.24 H new ATOM 0 HB3 ASN A 79 66.893 -4.990 11.553 1.00 0.24 H new ATOM 0 HD21 ASN A 79 70.817 -4.829 10.863 1.00 0.37 H new ATOM 0 HD22 ASN A 79 69.564 -5.259 9.695 1.00 0.37 H new ATOM 1229 N SER A 80 65.635 -3.584 8.223 1.00 0.21 N ATOM 1230 CA SER A 80 64.248 -3.423 7.696 1.00 0.24 C ATOM 1231 C SER A 80 64.075 -2.055 7.028 1.00 0.24 C ATOM 1232 O SER A 80 64.922 -1.190 7.129 1.00 0.27 O ATOM 1233 CB SER A 80 63.346 -3.531 8.924 1.00 0.26 C ATOM 1234 OG SER A 80 63.927 -2.804 9.999 1.00 1.22 O ATOM 0 H SER A 80 66.286 -2.839 7.976 1.00 0.21 H new ATOM 0 HA SER A 80 64.011 -4.172 6.940 1.00 0.24 H new ATOM 0 HB2 SER A 80 62.355 -3.138 8.697 1.00 0.26 H new ATOM 0 HB3 SER A 80 63.217 -4.576 9.204 1.00 0.26 H new ATOM 0 HG SER A 80 63.350 -2.870 10.788 1.00 1.22 H new ATOM 1240 N ILE A 81 62.973 -1.855 6.357 1.00 0.25 N ATOM 1241 CA ILE A 81 62.722 -0.549 5.691 1.00 0.26 C ATOM 1242 C ILE A 81 61.595 0.165 6.400 1.00 0.24 C ATOM 1243 O ILE A 81 60.976 -0.355 7.306 1.00 0.24 O ATOM 1244 CB ILE A 81 62.312 -0.900 4.261 1.00 0.34 C ATOM 1245 CG1 ILE A 81 63.548 -0.896 3.359 1.00 0.50 C ATOM 1246 CG2 ILE A 81 61.293 0.115 3.739 1.00 0.33 C ATOM 1247 CD1 ILE A 81 63.218 -1.594 2.038 1.00 0.73 C ATOM 0 H ILE A 81 62.232 -2.546 6.242 1.00 0.25 H new ATOM 0 HA ILE A 81 63.593 0.106 5.710 1.00 0.26 H new ATOM 0 HB ILE A 81 61.858 -1.891 4.256 1.00 0.34 H new ATOM 0 HG12 ILE A 81 63.871 0.128 3.171 1.00 0.50 H new ATOM 0 HG13 ILE A 81 64.375 -1.405 3.855 1.00 0.50 H new ATOM 0 HG21 ILE A 81 61.009 -0.146 2.720 1.00 0.33 H new ATOM 0 HG22 ILE A 81 60.409 0.104 4.376 1.00 0.33 H new ATOM 0 HG23 ILE A 81 61.734 1.112 3.749 1.00 0.33 H new ATOM 0 HD11 ILE A 81 64.098 -1.591 1.395 1.00 0.73 H new ATOM 0 HD12 ILE A 81 62.916 -2.623 2.235 1.00 0.73 H new ATOM 0 HD13 ILE A 81 62.404 -1.066 1.541 1.00 0.73 H new ATOM 1259 N GLU A 82 61.316 1.346 5.975 1.00 0.26 N ATOM 1260 CA GLU A 82 60.214 2.104 6.591 1.00 0.26 C ATOM 1261 C GLU A 82 60.011 3.420 5.854 1.00 0.25 C ATOM 1262 O GLU A 82 60.380 4.471 6.329 1.00 0.28 O ATOM 1263 CB GLU A 82 60.636 2.350 8.039 1.00 0.29 C ATOM 1264 CG GLU A 82 59.417 2.776 8.860 1.00 0.64 C ATOM 1265 CD GLU A 82 59.567 2.274 10.298 1.00 0.81 C ATOM 1266 OE1 GLU A 82 60.629 2.471 10.865 1.00 1.43 O ATOM 1267 OE2 GLU A 82 58.617 1.703 10.807 1.00 1.50 O ATOM 0 H GLU A 82 61.807 1.826 5.221 1.00 0.26 H new ATOM 0 HA GLU A 82 59.269 1.562 6.543 1.00 0.26 H new ATOM 0 HB2 GLU A 82 61.073 1.445 8.460 1.00 0.29 H new ATOM 0 HB3 GLU A 82 61.403 3.123 8.079 1.00 0.29 H new ATOM 0 HG2 GLU A 82 59.321 3.862 8.851 1.00 0.64 H new ATOM 0 HG3 GLU A 82 58.507 2.372 8.416 1.00 0.64 H new ATOM 1274 N ILE A 83 59.414 3.365 4.702 1.00 0.25 N ATOM 1275 CA ILE A 83 59.162 4.611 3.933 1.00 0.24 C ATOM 1276 C ILE A 83 58.007 5.354 4.583 1.00 0.25 C ATOM 1277 O ILE A 83 57.092 4.749 5.107 1.00 0.29 O ATOM 1278 CB ILE A 83 58.760 4.160 2.523 1.00 0.25 C ATOM 1279 CG1 ILE A 83 60.004 4.001 1.649 1.00 0.32 C ATOM 1280 CG2 ILE A 83 57.838 5.211 1.891 1.00 0.24 C ATOM 1281 CD1 ILE A 83 59.601 3.433 0.288 1.00 0.47 C ATOM 0 H ILE A 83 59.088 2.507 4.257 1.00 0.25 H new ATOM 0 HA ILE A 83 60.032 5.268 3.906 1.00 0.24 H new ATOM 0 HB ILE A 83 58.241 3.204 2.593 1.00 0.25 H new ATOM 0 HG12 ILE A 83 60.497 4.964 1.521 1.00 0.32 H new ATOM 0 HG13 ILE A 83 60.720 3.338 2.134 1.00 0.32 H new ATOM 0 HG21 ILE A 83 57.553 4.890 0.889 1.00 0.24 H new ATOM 0 HG22 ILE A 83 56.944 5.326 2.503 1.00 0.24 H new ATOM 0 HG23 ILE A 83 58.361 6.165 1.831 1.00 0.24 H new ATOM 0 HD11 ILE A 83 60.488 3.319 -0.336 1.00 0.47 H new ATOM 0 HD12 ILE A 83 59.127 2.461 0.425 1.00 0.47 H new ATOM 0 HD13 ILE A 83 58.901 4.113 -0.197 1.00 0.47 H new ATOM 1293 N LEU A 84 58.009 6.648 4.537 1.00 0.26 N ATOM 1294 CA LEU A 84 56.875 7.373 5.136 1.00 0.31 C ATOM 1295 C LEU A 84 56.518 8.602 4.295 1.00 0.48 C ATOM 1296 O LEU A 84 55.688 9.378 4.738 1.00 1.30 O ATOM 1297 CB LEU A 84 57.298 7.786 6.549 1.00 0.51 C ATOM 1298 CG LEU A 84 58.817 7.969 6.683 1.00 0.40 C ATOM 1299 CD1 LEU A 84 59.510 6.609 6.714 1.00 0.34 C ATOM 1300 CD2 LEU A 84 59.357 8.799 5.522 1.00 0.59 C ATOM 1301 OXT LEU A 84 57.082 8.745 3.222 1.00 1.10 O ATOM 0 H LEU A 84 58.736 7.226 4.117 1.00 0.26 H new ATOM 0 HA LEU A 84 55.988 6.740 5.172 1.00 0.31 H new ATOM 0 HB2 LEU A 84 56.799 8.718 6.816 1.00 0.51 H new ATOM 0 HB3 LEU A 84 56.963 7.030 7.260 1.00 0.51 H new ATOM 0 HG LEU A 84 59.021 8.494 7.616 1.00 0.40 H new ATOM 0 HD11 LEU A 84 60.586 6.751 6.809 1.00 0.34 H new ATOM 0 HD12 LEU A 84 59.144 6.033 7.564 1.00 0.34 H new ATOM 0 HD13 LEU A 84 59.295 6.070 5.791 1.00 0.34 H new ATOM 0 HD21 LEU A 84 60.435 8.920 5.631 1.00 0.59 H new ATOM 0 HD22 LEU A 84 59.142 8.292 4.581 1.00 0.59 H new ATOM 0 HD23 LEU A 84 58.880 9.779 5.523 1.00 0.59 H new TER 1313 LEU A 84 CONECT 86 393 CONECT 393 86 END