USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 947 hydrogens (0 hets) HEADER RNA BINDING PROTEIN 27-JAN-02 1KVV TITLE SOLUTION STRUCTURE OF PROTEIN SRP19 OF THE ARCHAEOGLOBUS TITLE 2 FULGIDUS SIGNAL RECOGNITION PARTICLE, MINIMIZED AVERAGE TITLE 3 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: SRP19; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: SIGNAL RECOGNITION PARTICLE 19 KDA PROTEIN; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; SOURCE 3 ORGANISM_TAXID: 2234; SOURCE 4 GENE: AF1258; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET-23C(+) KEYWDS RNA BINDING PROTEIN EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR O.N.PAKHOMOVA,S.DEEP,Q.HUANG,C.ZWIEB,A.P.HINCK REVDAT 2 24-FEB-09 1KVV 1 VERSN REVDAT 1 20-MAR-02 1KVV 0 JRNL AUTH O.N.PAKHOMOVA,S.DEEP,Q.HUANG,C.ZWIEB,A.P.HINCK JRNL TITL SOLUTION STRUCTURE OF PROTEIN SRP19 OF JRNL TITL 2 ARCHAEOGLOBUS FULGIDUS SIGNAL RECOGNITION PARTICLE. JRNL REF J.MOL.BIOL. V. 317 145 2002 JRNL REFN ISSN 0022-2836 JRNL PMID 11916385 JRNL DOI 10.1006/JMBI.2002.5411 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER, A.T.; CLORE, G.M., GRONENBORN, A.M., REMARK 3 TJUNDRA, N. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL REMARK 3 OF 886 RESTRAINTS, 690 ARE NOE-DERIVED DISTANCE CONSTRAINTS, REMARK 3 130 DIHEGRAL ANGLE RESTRAINTS, 66 1H-15N RESIDUAL DIPOLAR REMARK 3 COUPLING RESTRAINTS. REMARK 4 REMARK 4 1KVV COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-JAN-02. REMARK 100 THE RCSB ID CODE IS RCSB015389. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 300; 310 REMARK 210 PH : 6.0; 6.0 REMARK 210 IONIC STRENGTH : 75 MM; 75 MM REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 25MM KH2PO4, 50MM NACL, 95% REMARK 210 H2O, 5% D2O; 25MM KH2PO4, 50MM REMARK 210 NACL, 99.99% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY, 3D_ REMARK 210 13C-SEPARATED_NOESY, 4D_13C- REMARK 210 SEPARATED_NOESY, 3D 15N- REMARK 210 SEPARATED NOESY WITH 13C REMARK 210 CHEMICAL SHIFT EVOLUTION IN F2 REMARK 210 DIMENSION, IPAP-HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : AMX2 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 2.5, NMRPIPE 1.8, REMARK 210 PIPP 4.3.1, X-PLOR 3.851, REMARK 210 TALOS 98.040.28.02, PALES 2.1 REMARK 210 METHOD USED : DISTANCE GEOMETRY/SIMULATED REMARK 210 ANNEALING PROTOCOL 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: IPAP-HSQC EXPERIMENT WAS PERFORMED IN A SAMPLE OF THE REMARK 210 PROTEIN IN EITHER AN UNSTRESSED OR MECHANICALLY STRESSED 8% REMARK 210 POLYACRYLAMIDE GEL. 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 LYS A 2 -155.85 -117.87 REMARK 500 ASN A 31 110.26 72.58 REMARK 500 LEU A 46 96.59 178.96 REMARK 500 LYS A 47 -42.48 -149.08 REMARK 500 LYS A 53 153.51 -43.59 REMARK 500 TRP A 60 77.84 57.50 REMARK 500 LYS A 70 -61.06 -178.13 REMARK 500 ARG A 71 170.49 53.86 REMARK 500 LYS A 74 -94.90 -121.15 REMARK 500 LYS A 97 19.99 52.21 REMARK 500 ASP A 98 -45.38 -138.71 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 17 0.30 SIDE_CHAIN REMARK 500 ARG A 21 0.32 SIDE_CHAIN REMARK 500 ARG A 22 0.20 SIDE_CHAIN REMARK 500 ARG A 25 0.27 SIDE_CHAIN REMARK 500 ARG A 26 0.21 SIDE_CHAIN REMARK 500 ARG A 49 0.30 SIDE_CHAIN REMARK 500 ARG A 65 0.17 SIDE_CHAIN REMARK 500 ARG A 71 0.32 SIDE_CHAIN REMARK 500 ARG A 83 0.16 SIDE_CHAIN REMARK 500 ARG A 89 0.26 SIDE_CHAIN REMARK 500 ARG A 93 0.24 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4935 RELATED DB: BMRB REMARK 900 DEPOSITION 4935 CONTAINS ASSIGNMENTS FOR PROTEIN SRP19 OF REMARK 900 ARCHAEOGLOBUS FULGIDUS. REMARK 900 RELATED ID: 1KVN RELATED DB: PDB REMARK 900 1KVN CONTAINS THE COORDINATES FOR THE ENSEMBLE OF THE TEN REMARK 900 LOWEST ENERGY STRUCTURES FOR THE SAME PROTEIN. DBREF 1KVV A 1 104 UNP O29010 SRP19_ARCFU 1 104 SEQADV 1KVV SER A 4 UNP O29010 CYS 4 ENGINEERED SEQADV 1KVV SER A 41 UNP O29010 CYS 41 ENGINEERED SEQRES 1 A 104 MET LYS GLU SER VAL VAL TRP THR VAL ASN LEU ASP SER SEQRES 2 A 104 LYS LYS SER ARG ALA GLU GLY ARG ARG ILE PRO ARG ARG SEQRES 3 A 104 PHE ALA VAL PRO ASN VAL LYS LEU HIS GLU LEU VAL GLU SEQRES 4 A 104 ALA SER LYS GLU LEU GLY LEU LYS PHE ARG ALA GLU GLU SEQRES 5 A 104 LYS LYS TYR PRO LYS SER TRP TRP GLU GLU GLY GLY ARG SEQRES 6 A 104 VAL VAL VAL GLU LYS ARG GLY THR LYS THR LYS LEU MET SEQRES 7 A 104 ILE GLU LEU ALA ARG LYS ILE ALA GLU ILE ARG GLU GLN SEQRES 8 A 104 LYS ARG GLU GLN LYS LYS ASP LYS LYS LYS LYS LYS LYS HELIX 1 1 LYS A 33 GLY A 45 1 13 HELIX 2 2 LYS A 74 GLN A 95 1 22 SHEET 1 A 3 SER A 4 TRP A 7 0 SHEET 2 A 3 ARG A 65 VAL A 68 -1 O VAL A 66 N VAL A 6 SHEET 3 A 3 PHE A 48 GLU A 51 -1 N GLU A 51 O ARG A 65 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 155:sc= -0.122 (180deg=-0.774) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.527 (180deg=-0.527) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 117:sc= -1.21 USER MOD Single : A 8 THR OG1 : rot -118:sc= 1.19 USER MOD Single : A 10 ASN :FLIP amide:sc= -4.1! C(o=-5.9!,f=-4.1!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.136 K(o=-0.14,f=-2.6!) USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= -2.17 (180deg=-2.23) USER MOD Single : A 35 HIS : no HD1:sc= 0.256 K(o=0.26,f=-1.6!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= -2.33 (180deg=-3.09!) USER MOD Single : A 53 LYS NZ :NH3+ 152:sc= -0.29 (180deg=-2.18!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0226 USER MOD Single : A 70 LYS NZ :NH3+ 179:sc=-0.00332 (180deg=-0.00373) USER MOD Single : A 73 THR OG1 : rot 110:sc= -1.91! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0196 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 145:sc=-0.00892 (180deg=-0.494) USER MOD Single : A 84 LYS NZ :NH3+ 145:sc= -0.212 (180deg=-1.48!) USER MOD Single : A 91 GLN : amide:sc= -1.75! C(o=-1.8!,f=-2.4!) USER MOD Single : A 92 LYS NZ :NH3+ -179:sc= -0.0275 (180deg=-0.0303) USER MOD Single : A 95 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 96 LYS NZ :NH3+ -162:sc= 0.0143 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 175:sc= 1.06 (180deg=0.872) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.865 3.624 16.035 1.00 3.27 N ATOM 2 CA MET A 1 -10.565 2.374 16.450 1.00 2.42 C ATOM 3 C MET A 1 -11.784 2.142 15.556 1.00 1.56 C ATOM 4 O MET A 1 -12.736 1.494 15.944 1.00 1.46 O ATOM 5 CB MET A 1 -11.001 2.601 17.903 1.00 2.72 C ATOM 6 CG MET A 1 -9.774 2.610 18.821 1.00 3.52 C ATOM 7 SD MET A 1 -10.314 2.635 20.548 1.00 4.26 S ATOM 8 CE MET A 1 -10.840 0.907 20.647 1.00 4.61 C ATOM 0 H1 MET A 1 -9.037 3.777 16.646 1.00 3.27 H new ATOM 0 H2 MET A 1 -9.554 3.536 15.046 1.00 3.27 H new ATOM 0 H3 MET A 1 -10.515 4.431 16.123 1.00 3.27 H new ATOM 0 HA MET A 1 -9.922 1.498 16.361 1.00 2.42 H new ATOM 0 HB2 MET A 1 -11.536 3.547 17.988 1.00 2.72 H new ATOM 0 HB3 MET A 1 -11.691 1.816 18.212 1.00 2.72 H new ATOM 0 HG2 MET A 1 -9.160 1.729 18.634 1.00 3.52 H new ATOM 0 HG3 MET A 1 -9.155 3.482 18.610 1.00 3.52 H new ATOM 0 HE1 MET A 1 -10.792 0.571 21.683 1.00 4.61 H new ATOM 0 HE2 MET A 1 -11.863 0.817 20.283 1.00 4.61 H new ATOM 0 HE3 MET A 1 -10.182 0.291 20.035 1.00 4.61 H new ATOM 20 N LYS A 2 -11.765 2.670 14.361 1.00 1.39 N ATOM 21 CA LYS A 2 -12.922 2.486 13.442 1.00 1.17 C ATOM 22 C LYS A 2 -12.478 1.724 12.188 1.00 1.06 C ATOM 23 O LYS A 2 -11.518 0.982 12.222 1.00 1.14 O ATOM 24 CB LYS A 2 -13.377 3.906 13.112 1.00 1.88 C ATOM 25 CG LYS A 2 -13.945 4.543 14.381 1.00 2.34 C ATOM 26 CD LYS A 2 -14.495 5.933 14.067 1.00 3.17 C ATOM 27 CE LYS A 2 -15.055 6.547 15.351 1.00 3.97 C ATOM 28 NZ LYS A 2 -14.704 7.989 15.272 1.00 4.68 N ATOM 0 H LYS A 2 -10.995 3.222 13.982 1.00 1.39 H new ATOM 0 HA LYS A 2 -13.730 1.901 13.880 1.00 1.17 H new ATOM 0 HB2 LYS A 2 -12.540 4.494 12.736 1.00 1.88 H new ATOM 0 HB3 LYS A 2 -14.133 3.888 12.327 1.00 1.88 H new ATOM 0 HG2 LYS A 2 -14.735 3.914 14.791 1.00 2.34 H new ATOM 0 HG3 LYS A 2 -13.167 4.614 15.142 1.00 2.34 H new ATOM 0 HD2 LYS A 2 -13.707 6.566 13.659 1.00 3.17 H new ATOM 0 HD3 LYS A 2 -15.276 5.867 13.309 1.00 3.17 H new ATOM 0 HE2 LYS A 2 -16.134 6.406 15.418 1.00 3.97 H new ATOM 0 HE3 LYS A 2 -14.617 6.082 16.234 1.00 3.97 H new ATOM 0 HZ1 LYS A 2 -15.056 8.479 16.119 1.00 4.68 H new ATOM 0 HZ2 LYS A 2 -13.671 8.092 15.216 1.00 4.68 H new ATOM 0 HZ3 LYS A 2 -15.140 8.407 14.425 1.00 4.68 H new ATOM 42 N GLU A 3 -13.172 1.872 11.087 1.00 1.00 N ATOM 43 CA GLU A 3 -12.767 1.117 9.862 1.00 0.90 C ATOM 44 C GLU A 3 -12.627 2.033 8.637 1.00 0.84 C ATOM 45 O GLU A 3 -13.453 2.887 8.383 1.00 0.86 O ATOM 46 CB GLU A 3 -13.899 0.115 9.640 1.00 0.94 C ATOM 47 CG GLU A 3 -14.055 -0.764 10.882 1.00 1.21 C ATOM 48 CD GLU A 3 -15.020 -0.099 11.869 1.00 1.76 C ATOM 49 OE1 GLU A 3 -15.520 0.970 11.556 1.00 2.50 O ATOM 50 OE2 GLU A 3 -15.243 -0.672 12.923 1.00 2.31 O ATOM 0 H GLU A 3 -13.989 2.473 10.983 1.00 1.00 H new ATOM 0 HA GLU A 3 -11.793 0.646 9.993 1.00 0.90 H new ATOM 0 HB2 GLU A 3 -14.831 0.643 9.436 1.00 0.94 H new ATOM 0 HB3 GLU A 3 -13.685 -0.504 8.768 1.00 0.94 H new ATOM 0 HG2 GLU A 3 -14.430 -1.747 10.598 1.00 1.21 H new ATOM 0 HG3 GLU A 3 -13.085 -0.917 11.355 1.00 1.21 H new ATOM 57 N SER A 4 -11.590 1.832 7.864 1.00 0.77 N ATOM 58 CA SER A 4 -11.393 2.656 6.635 1.00 0.73 C ATOM 59 C SER A 4 -11.007 1.742 5.469 1.00 0.65 C ATOM 60 O SER A 4 -10.245 0.815 5.633 1.00 0.61 O ATOM 61 CB SER A 4 -10.257 3.622 6.971 1.00 0.76 C ATOM 62 OG SER A 4 -10.253 4.686 6.028 1.00 1.32 O ATOM 0 H SER A 4 -10.869 1.130 8.033 1.00 0.77 H new ATOM 0 HA SER A 4 -12.294 3.195 6.341 1.00 0.73 H new ATOM 0 HB2 SER A 4 -10.384 4.015 7.980 1.00 0.76 H new ATOM 0 HB3 SER A 4 -9.301 3.099 6.951 1.00 0.76 H new ATOM 0 HG SER A 4 -10.433 5.532 6.489 1.00 1.32 H new ATOM 68 N VAL A 5 -11.525 1.984 4.294 1.00 0.64 N ATOM 69 CA VAL A 5 -11.172 1.101 3.143 1.00 0.58 C ATOM 70 C VAL A 5 -10.300 1.848 2.137 1.00 0.55 C ATOM 71 O VAL A 5 -10.655 2.901 1.643 1.00 0.67 O ATOM 72 CB VAL A 5 -12.511 0.718 2.512 1.00 0.67 C ATOM 73 CG1 VAL A 5 -12.269 -0.218 1.326 1.00 1.56 C ATOM 74 CG2 VAL A 5 -13.376 0.004 3.554 1.00 1.54 C ATOM 0 H VAL A 5 -12.170 2.745 4.082 1.00 0.64 H new ATOM 0 HA VAL A 5 -10.603 0.227 3.460 1.00 0.58 H new ATOM 0 HB VAL A 5 -13.021 1.617 2.166 1.00 0.67 H new ATOM 0 HG11 VAL A 5 -13.224 -0.491 0.877 1.00 1.56 H new ATOM 0 HG12 VAL A 5 -11.650 0.287 0.584 1.00 1.56 H new ATOM 0 HG13 VAL A 5 -11.760 -1.118 1.671 1.00 1.56 H new ATOM 0 HG21 VAL A 5 -14.332 -0.270 3.107 1.00 1.54 H new ATOM 0 HG22 VAL A 5 -12.864 -0.895 3.897 1.00 1.54 H new ATOM 0 HG23 VAL A 5 -13.549 0.669 4.401 1.00 1.54 H new ATOM 84 N VAL A 6 -9.164 1.297 1.822 1.00 0.48 N ATOM 85 CA VAL A 6 -8.256 1.939 0.844 1.00 0.50 C ATOM 86 C VAL A 6 -7.816 0.898 -0.183 1.00 0.47 C ATOM 87 O VAL A 6 -7.538 -0.233 0.150 1.00 0.48 O ATOM 88 CB VAL A 6 -7.064 2.423 1.668 1.00 0.55 C ATOM 89 CG1 VAL A 6 -6.101 3.198 0.768 1.00 0.64 C ATOM 90 CG2 VAL A 6 -7.557 3.336 2.792 1.00 0.60 C ATOM 0 H VAL A 6 -8.824 0.416 2.208 1.00 0.48 H new ATOM 0 HA VAL A 6 -8.724 2.760 0.302 1.00 0.50 H new ATOM 0 HB VAL A 6 -6.548 1.564 2.097 1.00 0.55 H new ATOM 0 HG11 VAL A 6 -5.251 3.543 1.357 1.00 0.64 H new ATOM 0 HG12 VAL A 6 -5.748 2.548 -0.033 1.00 0.64 H new ATOM 0 HG13 VAL A 6 -6.617 4.056 0.338 1.00 0.64 H new ATOM 0 HG21 VAL A 6 -6.706 3.681 3.380 1.00 0.60 H new ATOM 0 HG22 VAL A 6 -8.074 4.194 2.363 1.00 0.60 H new ATOM 0 HG23 VAL A 6 -8.242 2.784 3.435 1.00 0.60 H new ATOM 100 N TRP A 7 -7.740 1.251 -1.422 1.00 0.56 N ATOM 101 CA TRP A 7 -7.303 0.260 -2.439 1.00 0.55 C ATOM 102 C TRP A 7 -5.801 0.412 -2.677 1.00 0.57 C ATOM 103 O TRP A 7 -5.194 1.383 -2.272 1.00 0.60 O ATOM 104 CB TRP A 7 -8.093 0.609 -3.705 1.00 0.59 C ATOM 105 CG TRP A 7 -9.574 0.515 -3.450 1.00 0.80 C ATOM 106 CD1 TRP A 7 -10.160 0.143 -2.282 1.00 1.65 C ATOM 107 CD2 TRP A 7 -10.664 0.792 -4.376 1.00 1.07 C ATOM 108 NE1 TRP A 7 -11.533 0.181 -2.437 1.00 1.67 N ATOM 109 CE2 TRP A 7 -11.893 0.576 -3.710 1.00 1.24 C ATOM 110 CE3 TRP A 7 -10.702 1.211 -5.718 1.00 2.01 C ATOM 111 CZ2 TRP A 7 -13.117 0.766 -4.352 1.00 1.70 C ATOM 112 CZ3 TRP A 7 -11.932 1.402 -6.368 1.00 2.76 C ATOM 113 CH2 TRP A 7 -13.137 1.182 -5.686 1.00 2.47 C ATOM 0 H TRP A 7 -7.960 2.180 -1.781 1.00 0.56 H new ATOM 0 HA TRP A 7 -7.482 -0.770 -2.131 1.00 0.55 H new ATOM 0 HB2 TRP A 7 -7.838 1.617 -4.032 1.00 0.59 H new ATOM 0 HB3 TRP A 7 -7.814 -0.068 -4.512 1.00 0.59 H new ATOM 0 HD1 TRP A 7 -9.638 -0.137 -1.379 1.00 1.65 H new ATOM 0 HE1 TRP A 7 -12.199 -0.054 -1.701 1.00 1.67 H new ATOM 0 HE3 TRP A 7 -9.780 1.387 -6.252 1.00 2.01 H new ATOM 0 HZ2 TRP A 7 -14.042 0.593 -3.822 1.00 1.70 H new ATOM 0 HZ3 TRP A 7 -11.950 1.720 -7.400 1.00 2.76 H new ATOM 0 HH2 TRP A 7 -14.080 1.334 -6.191 1.00 2.47 H new ATOM 124 N THR A 8 -5.201 -0.524 -3.348 1.00 0.57 N ATOM 125 CA THR A 8 -3.741 -0.410 -3.635 1.00 0.62 C ATOM 126 C THR A 8 -3.504 0.740 -4.617 1.00 0.63 C ATOM 127 O THR A 8 -2.499 1.423 -4.569 1.00 0.66 O ATOM 128 CB THR A 8 -3.329 -1.741 -4.287 1.00 0.69 C ATOM 129 OG1 THR A 8 -4.480 -2.464 -4.696 1.00 1.10 O ATOM 130 CG2 THR A 8 -2.517 -2.573 -3.294 1.00 0.87 C ATOM 0 H THR A 8 -5.653 -1.363 -3.712 1.00 0.57 H new ATOM 0 HA THR A 8 -3.165 -0.213 -2.731 1.00 0.62 H new ATOM 0 HB THR A 8 -2.717 -1.531 -5.164 1.00 0.69 H new ATOM 0 HG1 THR A 8 -4.520 -3.316 -4.213 1.00 1.10 H new ATOM 0 HG21 THR A 8 -2.227 -3.515 -3.760 1.00 0.87 H new ATOM 0 HG22 THR A 8 -1.623 -2.022 -3.003 1.00 0.87 H new ATOM 0 HG23 THR A 8 -3.121 -2.776 -2.410 1.00 0.87 H new ATOM 138 N VAL A 9 -4.418 0.930 -5.528 1.00 0.64 N ATOM 139 CA VAL A 9 -4.258 2.001 -6.553 1.00 0.73 C ATOM 140 C VAL A 9 -4.287 3.411 -5.943 1.00 0.75 C ATOM 141 O VAL A 9 -3.558 4.281 -6.374 1.00 0.85 O ATOM 142 CB VAL A 9 -5.444 1.809 -7.500 1.00 0.81 C ATOM 143 CG1 VAL A 9 -5.445 0.374 -8.036 1.00 1.45 C ATOM 144 CG2 VAL A 9 -6.751 2.070 -6.743 1.00 1.61 C ATOM 0 H VAL A 9 -5.276 0.385 -5.607 1.00 0.64 H new ATOM 0 HA VAL A 9 -3.292 1.922 -7.052 1.00 0.73 H new ATOM 0 HB VAL A 9 -5.359 2.508 -8.332 1.00 0.81 H new ATOM 0 HG11 VAL A 9 -6.290 0.238 -8.711 1.00 1.45 H new ATOM 0 HG12 VAL A 9 -4.517 0.186 -8.575 1.00 1.45 H new ATOM 0 HG13 VAL A 9 -5.529 -0.325 -7.204 1.00 1.45 H new ATOM 0 HG21 VAL A 9 -7.596 1.933 -7.418 1.00 1.61 H new ATOM 0 HG22 VAL A 9 -6.835 1.372 -5.910 1.00 1.61 H new ATOM 0 HG23 VAL A 9 -6.753 3.091 -6.362 1.00 1.61 H new ATOM 154 N ASN A 10 -5.127 3.665 -4.971 1.00 0.71 N ATOM 155 CA ASN A 10 -5.183 5.044 -4.393 1.00 0.82 C ATOM 156 C ASN A 10 -3.785 5.555 -4.034 1.00 0.76 C ATOM 157 O ASN A 10 -3.373 6.606 -4.482 1.00 0.79 O ATOM 158 CB ASN A 10 -6.046 4.913 -3.140 1.00 0.98 C ATOM 159 CG ASN A 10 -7.474 4.560 -3.555 1.00 1.62 C ATOM 160 OD1 ASN A 10 -8.326 4.161 -2.654 1.00 2.40 O flip ATOM 161 ND2 ASN A 10 -7.820 4.653 -4.716 1.00 2.31 N flip ATOM 0 H ASN A 10 -5.768 2.988 -4.557 1.00 0.71 H new ATOM 0 HA ASN A 10 -5.593 5.761 -5.104 1.00 0.82 H new ATOM 0 HB2 ASN A 10 -5.643 4.142 -2.484 1.00 0.98 H new ATOM 0 HB3 ASN A 10 -6.037 5.846 -2.577 1.00 0.98 H new ATOM 0 HD21 ASN A 10 -7.154 4.965 -5.423 1.00 2.31 H new ATOM 0 HD22 ASN A 10 -8.776 4.419 -4.984 1.00 2.31 H new ATOM 168 N LEU A 11 -3.060 4.840 -3.219 1.00 0.77 N ATOM 169 CA LEU A 11 -1.696 5.303 -2.814 1.00 0.78 C ATOM 170 C LEU A 11 -0.700 5.259 -3.986 1.00 0.73 C ATOM 171 O LEU A 11 0.450 5.621 -3.837 1.00 0.89 O ATOM 172 CB LEU A 11 -1.268 4.312 -1.730 1.00 0.91 C ATOM 173 CG LEU A 11 0.004 4.811 -1.040 1.00 1.19 C ATOM 174 CD1 LEU A 11 -0.333 6.031 -0.186 1.00 1.73 C ATOM 175 CD2 LEU A 11 0.561 3.706 -0.143 1.00 1.51 C ATOM 0 H LEU A 11 -3.352 3.951 -2.813 1.00 0.77 H new ATOM 0 HA LEU A 11 -1.712 6.338 -2.474 1.00 0.78 H new ATOM 0 HB2 LEU A 11 -2.067 4.193 -0.998 1.00 0.91 H new ATOM 0 HB3 LEU A 11 -1.092 3.331 -2.171 1.00 0.91 H new ATOM 0 HG LEU A 11 0.746 5.081 -1.791 1.00 1.19 H new ATOM 0 HD11 LEU A 11 0.570 6.390 0.308 1.00 1.73 H new ATOM 0 HD12 LEU A 11 -0.737 6.819 -0.821 1.00 1.73 H new ATOM 0 HD13 LEU A 11 -1.073 5.756 0.566 1.00 1.73 H new ATOM 0 HD21 LEU A 11 1.467 4.059 0.349 1.00 1.51 H new ATOM 0 HD22 LEU A 11 -0.181 3.440 0.610 1.00 1.51 H new ATOM 0 HD23 LEU A 11 0.795 2.830 -0.748 1.00 1.51 H new ATOM 187 N ASP A 12 -1.111 4.815 -5.142 1.00 0.71 N ATOM 188 CA ASP A 12 -0.155 4.747 -6.288 1.00 0.72 C ATOM 189 C ASP A 12 -0.224 6.017 -7.145 1.00 0.69 C ATOM 190 O ASP A 12 -1.272 6.399 -7.627 1.00 0.69 O ATOM 191 CB ASP A 12 -0.611 3.530 -7.096 1.00 0.84 C ATOM 192 CG ASP A 12 0.354 3.286 -8.259 1.00 0.97 C ATOM 193 OD1 ASP A 12 1.299 4.046 -8.394 1.00 1.60 O ATOM 194 OD2 ASP A 12 0.133 2.338 -8.995 1.00 1.62 O ATOM 0 H ASP A 12 -2.059 4.498 -5.344 1.00 0.71 H new ATOM 0 HA ASP A 12 0.879 4.665 -5.952 1.00 0.72 H new ATOM 0 HB2 ASP A 12 -0.650 2.650 -6.454 1.00 0.84 H new ATOM 0 HB3 ASP A 12 -1.619 3.692 -7.477 1.00 0.84 H new ATOM 199 N SER A 13 0.894 6.668 -7.346 1.00 0.76 N ATOM 200 CA SER A 13 0.905 7.906 -8.183 1.00 0.83 C ATOM 201 C SER A 13 0.674 7.555 -9.658 1.00 0.85 C ATOM 202 O SER A 13 -0.021 8.249 -10.373 1.00 0.93 O ATOM 203 CB SER A 13 2.298 8.499 -7.986 1.00 0.92 C ATOM 204 OG SER A 13 2.355 9.779 -8.600 1.00 1.63 O ATOM 0 H SER A 13 1.800 6.395 -6.966 1.00 0.76 H new ATOM 0 HA SER A 13 0.118 8.604 -7.898 1.00 0.83 H new ATOM 0 HB2 SER A 13 2.523 8.583 -6.923 1.00 0.92 H new ATOM 0 HB3 SER A 13 3.051 7.841 -8.420 1.00 0.92 H new ATOM 0 HG SER A 13 3.248 10.163 -8.474 1.00 1.63 H new ATOM 210 N LYS A 14 1.263 6.482 -10.113 1.00 0.84 N ATOM 211 CA LYS A 14 1.100 6.065 -11.541 1.00 0.91 C ATOM 212 C LYS A 14 -0.381 5.897 -11.896 1.00 0.92 C ATOM 213 O LYS A 14 -0.764 5.936 -13.048 1.00 1.01 O ATOM 214 CB LYS A 14 1.827 4.726 -11.637 1.00 0.97 C ATOM 215 CG LYS A 14 1.872 4.269 -13.096 1.00 1.37 C ATOM 216 CD LYS A 14 2.526 2.891 -13.174 1.00 1.84 C ATOM 217 CE LYS A 14 2.740 2.508 -14.640 1.00 2.30 C ATOM 218 NZ LYS A 14 2.160 1.143 -14.771 1.00 3.08 N ATOM 0 H LYS A 14 1.856 5.869 -9.553 1.00 0.84 H new ATOM 0 HA LYS A 14 1.500 6.807 -12.232 1.00 0.91 H new ATOM 0 HB2 LYS A 14 2.839 4.822 -11.244 1.00 0.97 H new ATOM 0 HB3 LYS A 14 1.318 3.980 -11.027 1.00 0.97 H new ATOM 0 HG2 LYS A 14 0.864 4.229 -13.508 1.00 1.37 H new ATOM 0 HG3 LYS A 14 2.433 4.985 -13.696 1.00 1.37 H new ATOM 0 HD2 LYS A 14 3.480 2.899 -12.647 1.00 1.84 H new ATOM 0 HD3 LYS A 14 1.896 2.150 -12.682 1.00 1.84 H new ATOM 0 HE2 LYS A 14 2.245 3.213 -15.308 1.00 2.30 H new ATOM 0 HE3 LYS A 14 3.799 2.513 -14.899 1.00 2.30 H new ATOM 0 HZ1 LYS A 14 2.269 0.812 -15.751 1.00 3.08 H new ATOM 0 HZ2 LYS A 14 2.655 0.492 -14.128 1.00 3.08 H new ATOM 0 HZ3 LYS A 14 1.150 1.170 -14.525 1.00 3.08 H new ATOM 232 N LYS A 15 -1.214 5.730 -10.912 1.00 0.87 N ATOM 233 CA LYS A 15 -2.671 5.578 -11.191 1.00 0.89 C ATOM 234 C LYS A 15 -3.351 6.946 -11.137 1.00 0.95 C ATOM 235 O LYS A 15 -3.442 7.559 -10.094 1.00 1.01 O ATOM 236 CB LYS A 15 -3.196 4.669 -10.084 1.00 0.91 C ATOM 237 CG LYS A 15 -2.392 3.370 -10.082 1.00 1.42 C ATOM 238 CD LYS A 15 -2.606 2.638 -11.407 1.00 2.33 C ATOM 239 CE LYS A 15 -1.891 1.287 -11.360 1.00 3.20 C ATOM 240 NZ LYS A 15 -1.804 0.846 -12.780 1.00 3.92 N ATOM 0 H LYS A 15 -0.953 5.692 -9.927 1.00 0.87 H new ATOM 0 HA LYS A 15 -2.867 5.160 -12.179 1.00 0.89 H new ATOM 0 HB2 LYS A 15 -3.111 5.166 -9.117 1.00 0.91 H new ATOM 0 HB3 LYS A 15 -4.253 4.457 -10.241 1.00 0.91 H new ATOM 0 HG2 LYS A 15 -1.333 3.585 -9.940 1.00 1.42 H new ATOM 0 HG3 LYS A 15 -2.703 2.738 -9.250 1.00 1.42 H new ATOM 0 HD2 LYS A 15 -3.671 2.492 -11.587 1.00 2.33 H new ATOM 0 HD3 LYS A 15 -2.222 3.237 -12.233 1.00 2.33 H new ATOM 0 HE2 LYS A 15 -0.901 1.380 -10.915 1.00 3.20 H new ATOM 0 HE3 LYS A 15 -2.445 0.568 -10.757 1.00 3.20 H new ATOM 0 HZ1 LYS A 15 -1.324 -0.076 -12.829 1.00 3.92 H new ATOM 0 HZ2 LYS A 15 -2.762 0.759 -13.176 1.00 3.92 H new ATOM 0 HZ3 LYS A 15 -1.265 1.546 -13.329 1.00 3.92 H new ATOM 254 N SER A 16 -3.811 7.442 -12.254 1.00 1.00 N ATOM 255 CA SER A 16 -4.465 8.782 -12.266 1.00 1.14 C ATOM 256 C SER A 16 -5.814 8.733 -11.545 1.00 1.10 C ATOM 257 O SER A 16 -6.267 7.690 -11.115 1.00 0.99 O ATOM 258 CB SER A 16 -4.656 9.110 -13.747 1.00 1.28 C ATOM 259 OG SER A 16 -3.385 9.155 -14.385 1.00 1.76 O ATOM 0 H SER A 16 -3.762 6.976 -13.160 1.00 1.00 H new ATOM 0 HA SER A 16 -3.868 9.535 -11.751 1.00 1.14 H new ATOM 0 HB2 SER A 16 -5.287 8.357 -14.220 1.00 1.28 H new ATOM 0 HB3 SER A 16 -5.165 10.067 -13.857 1.00 1.28 H new ATOM 0 HG SER A 16 -3.503 9.363 -15.335 1.00 1.76 H new ATOM 265 N ARG A 17 -6.457 9.861 -11.411 1.00 1.27 N ATOM 266 CA ARG A 17 -7.776 9.897 -10.718 1.00 1.37 C ATOM 267 C ARG A 17 -8.728 8.873 -11.335 1.00 1.28 C ATOM 268 O ARG A 17 -9.460 8.198 -10.639 1.00 1.34 O ATOM 269 CB ARG A 17 -8.296 11.316 -10.947 1.00 1.61 C ATOM 270 CG ARG A 17 -9.614 11.513 -10.195 1.00 2.13 C ATOM 271 CD ARG A 17 -10.197 12.885 -10.543 1.00 2.47 C ATOM 272 NE ARG A 17 -9.173 13.863 -10.079 1.00 2.79 N ATOM 273 CZ ARG A 17 -8.700 14.758 -10.903 1.00 3.24 C ATOM 274 NH1 ARG A 17 -7.914 14.395 -11.880 1.00 4.03 N ATOM 275 NH2 ARG A 17 -9.010 16.017 -10.749 1.00 3.28 N ATOM 0 H ARG A 17 -6.124 10.762 -11.753 1.00 1.27 H new ATOM 0 HA ARG A 17 -7.695 9.653 -9.659 1.00 1.37 H new ATOM 0 HB2 ARG A 17 -7.559 12.043 -10.605 1.00 1.61 H new ATOM 0 HB3 ARG A 17 -8.445 11.491 -12.012 1.00 1.61 H new ATOM 0 HG2 ARG A 17 -10.320 10.727 -10.463 1.00 2.13 H new ATOM 0 HG3 ARG A 17 -9.447 11.438 -9.120 1.00 2.13 H new ATOM 0 HD2 ARG A 17 -10.376 12.978 -11.614 1.00 2.47 H new ATOM 0 HD3 ARG A 17 -11.153 13.047 -10.044 1.00 2.47 H new ATOM 0 HE ARG A 17 -8.841 13.833 -9.115 1.00 2.79 H new ATOM 0 HH11 ARG A 17 -7.670 13.412 -11.999 1.00 4.03 H new ATOM 0 HH12 ARG A 17 -7.544 15.094 -12.524 1.00 4.03 H new ATOM 0 HH21 ARG A 17 -9.622 16.302 -9.984 1.00 3.28 H new ATOM 0 HH22 ARG A 17 -8.640 16.716 -11.393 1.00 3.28 H new ATOM 289 N ALA A 18 -8.719 8.739 -12.633 1.00 1.23 N ATOM 290 CA ALA A 18 -9.621 7.742 -13.269 1.00 1.24 C ATOM 291 C ALA A 18 -9.252 6.347 -12.767 1.00 1.15 C ATOM 292 O ALA A 18 -10.104 5.527 -12.489 1.00 1.28 O ATOM 293 CB ALA A 18 -9.368 7.868 -14.773 1.00 1.31 C ATOM 0 H ALA A 18 -8.131 9.272 -13.274 1.00 1.23 H new ATOM 0 HA ALA A 18 -10.672 7.908 -13.034 1.00 1.24 H new ATOM 0 HB1 ALA A 18 -10.001 7.160 -15.309 1.00 1.31 H new ATOM 0 HB2 ALA A 18 -9.602 8.882 -15.098 1.00 1.31 H new ATOM 0 HB3 ALA A 18 -8.321 7.651 -14.985 1.00 1.31 H new ATOM 299 N GLU A 19 -7.981 6.082 -12.633 1.00 1.05 N ATOM 300 CA GLU A 19 -7.543 4.750 -12.130 1.00 1.12 C ATOM 301 C GLU A 19 -7.976 4.575 -10.671 1.00 1.22 C ATOM 302 O GLU A 19 -8.208 3.476 -10.209 1.00 1.40 O ATOM 303 CB GLU A 19 -6.018 4.761 -12.245 1.00 1.10 C ATOM 304 CG GLU A 19 -5.619 4.826 -13.721 1.00 1.54 C ATOM 305 CD GLU A 19 -6.164 3.598 -14.454 1.00 1.73 C ATOM 306 OE1 GLU A 19 -6.536 2.647 -13.786 1.00 1.82 O ATOM 307 OE2 GLU A 19 -6.200 3.630 -15.673 1.00 2.47 O ATOM 0 H GLU A 19 -7.226 6.732 -12.851 1.00 1.05 H new ATOM 0 HA GLU A 19 -7.982 3.927 -12.694 1.00 1.12 H new ATOM 0 HB2 GLU A 19 -5.608 5.617 -11.708 1.00 1.10 H new ATOM 0 HB3 GLU A 19 -5.601 3.866 -11.783 1.00 1.10 H new ATOM 0 HG2 GLU A 19 -6.011 5.736 -14.174 1.00 1.54 H new ATOM 0 HG3 GLU A 19 -4.534 4.865 -13.813 1.00 1.54 H new ATOM 314 N GLY A 20 -8.078 5.654 -9.942 1.00 1.23 N ATOM 315 CA GLY A 20 -8.487 5.555 -8.512 1.00 1.49 C ATOM 316 C GLY A 20 -7.361 6.098 -7.632 1.00 1.12 C ATOM 317 O GLY A 20 -6.670 5.354 -6.967 1.00 1.39 O ATOM 0 H GLY A 20 -7.895 6.600 -10.276 1.00 1.23 H new ATOM 0 HA2 GLY A 20 -9.403 6.121 -8.343 1.00 1.49 H new ATOM 0 HA3 GLY A 20 -8.700 4.518 -8.253 1.00 1.49 H new ATOM 321 N ARG A 21 -7.158 7.388 -7.641 1.00 1.28 N ATOM 322 CA ARG A 21 -6.060 7.980 -6.821 1.00 1.02 C ATOM 323 C ARG A 21 -6.622 8.848 -5.692 1.00 1.10 C ATOM 324 O ARG A 21 -7.401 9.753 -5.915 1.00 1.39 O ATOM 325 CB ARG A 21 -5.274 8.835 -7.814 1.00 1.09 C ATOM 326 CG ARG A 21 -4.178 9.615 -7.086 1.00 1.28 C ATOM 327 CD ARG A 21 -3.380 10.424 -8.111 1.00 1.73 C ATOM 328 NE ARG A 21 -2.350 11.150 -7.319 1.00 2.21 N ATOM 329 CZ ARG A 21 -2.075 12.395 -7.601 1.00 2.90 C ATOM 330 NH1 ARG A 21 -2.818 13.353 -7.119 1.00 3.46 N ATOM 331 NH2 ARG A 21 -1.057 12.681 -8.366 1.00 3.40 N ATOM 0 H ARG A 21 -7.705 8.058 -8.181 1.00 1.28 H new ATOM 0 HA ARG A 21 -5.446 7.219 -6.339 1.00 1.02 H new ATOM 0 HB2 ARG A 21 -4.831 8.200 -8.581 1.00 1.09 H new ATOM 0 HB3 ARG A 21 -5.946 9.526 -8.322 1.00 1.09 H new ATOM 0 HG2 ARG A 21 -4.619 10.279 -6.342 1.00 1.28 H new ATOM 0 HG3 ARG A 21 -3.520 8.930 -6.551 1.00 1.28 H new ATOM 0 HD2 ARG A 21 -2.919 9.773 -8.854 1.00 1.73 H new ATOM 0 HD3 ARG A 21 -4.023 11.119 -8.651 1.00 1.73 H new ATOM 0 HE ARG A 21 -1.861 10.677 -6.559 1.00 2.21 H new ATOM 0 HH11 ARG A 21 -3.614 13.130 -6.522 1.00 3.46 H new ATOM 0 HH12 ARG A 21 -2.603 14.325 -7.340 1.00 3.46 H new ATOM 0 HH21 ARG A 21 -0.476 11.932 -8.743 1.00 3.40 H new ATOM 0 HH22 ARG A 21 -0.842 13.653 -8.586 1.00 3.40 H new ATOM 345 N ARG A 22 -6.220 8.577 -4.479 1.00 1.02 N ATOM 346 CA ARG A 22 -6.712 9.379 -3.322 1.00 1.27 C ATOM 347 C ARG A 22 -5.522 9.838 -2.466 1.00 1.23 C ATOM 348 O ARG A 22 -5.688 10.333 -1.369 1.00 1.52 O ATOM 349 CB ARG A 22 -7.595 8.412 -2.533 1.00 1.49 C ATOM 350 CG ARG A 22 -8.664 7.821 -3.458 1.00 1.26 C ATOM 351 CD ARG A 22 -9.435 6.731 -2.713 1.00 1.13 C ATOM 352 NE ARG A 22 -10.561 7.439 -2.043 1.00 1.44 N ATOM 353 CZ ARG A 22 -11.771 6.954 -2.113 1.00 1.57 C ATOM 354 NH1 ARG A 22 -12.199 6.428 -3.229 1.00 1.99 N ATOM 355 NH2 ARG A 22 -12.553 6.992 -1.068 1.00 2.02 N ATOM 0 H ARG A 22 -5.568 7.830 -4.239 1.00 1.02 H new ATOM 0 HA ARG A 22 -7.253 10.274 -3.628 1.00 1.27 H new ATOM 0 HB2 ARG A 22 -6.987 7.614 -2.107 1.00 1.49 H new ATOM 0 HB3 ARG A 22 -8.068 8.932 -1.700 1.00 1.49 H new ATOM 0 HG2 ARG A 22 -9.347 8.603 -3.789 1.00 1.26 H new ATOM 0 HG3 ARG A 22 -8.198 7.406 -4.352 1.00 1.26 H new ATOM 0 HD2 ARG A 22 -9.802 5.969 -3.400 1.00 1.13 H new ATOM 0 HD3 ARG A 22 -8.799 6.226 -1.986 1.00 1.13 H new ATOM 0 HE ARG A 22 -10.387 8.303 -1.529 1.00 1.44 H new ATOM 0 HH11 ARG A 22 -11.588 6.396 -4.045 1.00 1.99 H new ATOM 0 HH12 ARG A 22 -13.144 6.049 -3.285 1.00 1.99 H new ATOM 0 HH21 ARG A 22 -12.219 7.401 -0.195 1.00 2.02 H new ATOM 0 HH22 ARG A 22 -13.498 6.613 -1.124 1.00 2.02 H new ATOM 369 N ILE A 23 -4.322 9.662 -2.957 1.00 0.96 N ATOM 370 CA ILE A 23 -3.119 10.069 -2.179 1.00 0.99 C ATOM 371 C ILE A 23 -2.416 11.238 -2.879 1.00 0.92 C ATOM 372 O ILE A 23 -2.375 11.286 -4.093 1.00 0.80 O ATOM 373 CB ILE A 23 -2.235 8.812 -2.180 1.00 0.96 C ATOM 374 CG1 ILE A 23 -1.087 8.985 -1.185 1.00 1.58 C ATOM 375 CG2 ILE A 23 -1.658 8.575 -3.583 1.00 1.32 C ATOM 376 CD1 ILE A 23 -1.636 8.910 0.243 1.00 1.67 C ATOM 0 H ILE A 23 -4.125 9.251 -3.870 1.00 0.96 H new ATOM 0 HA ILE A 23 -3.352 10.408 -1.170 1.00 0.99 H new ATOM 0 HB ILE A 23 -2.843 7.955 -1.891 1.00 0.96 H new ATOM 0 HG12 ILE A 23 -0.337 8.209 -1.339 1.00 1.58 H new ATOM 0 HG13 ILE A 23 -0.592 9.943 -1.346 1.00 1.58 H new ATOM 0 HG21 ILE A 23 -1.033 7.682 -3.573 1.00 1.32 H new ATOM 0 HG22 ILE A 23 -2.473 8.440 -4.294 1.00 1.32 H new ATOM 0 HG23 ILE A 23 -1.057 9.435 -3.879 1.00 1.32 H new ATOM 0 HD11 ILE A 23 -0.819 9.033 0.954 1.00 1.67 H new ATOM 0 HD12 ILE A 23 -2.370 9.702 0.393 1.00 1.67 H new ATOM 0 HD13 ILE A 23 -2.111 7.941 0.400 1.00 1.67 H new ATOM 388 N PRO A 24 -1.878 12.142 -2.104 1.00 1.08 N ATOM 389 CA PRO A 24 -1.175 13.294 -2.693 1.00 1.07 C ATOM 390 C PRO A 24 0.140 12.842 -3.313 1.00 0.84 C ATOM 391 O PRO A 24 0.793 11.930 -2.847 1.00 0.87 O ATOM 392 CB PRO A 24 -0.932 14.228 -1.521 1.00 1.34 C ATOM 393 CG PRO A 24 -0.937 13.342 -0.327 1.00 1.47 C ATOM 394 CD PRO A 24 -1.861 12.186 -0.640 1.00 1.38 C ATOM 0 HA PRO A 24 -1.743 13.777 -3.488 1.00 1.07 H new ATOM 0 HB2 PRO A 24 0.019 14.752 -1.622 1.00 1.34 H new ATOM 0 HB3 PRO A 24 -1.709 14.989 -1.453 1.00 1.34 H new ATOM 0 HG2 PRO A 24 0.069 12.984 -0.108 1.00 1.47 H new ATOM 0 HG3 PRO A 24 -1.281 13.884 0.554 1.00 1.47 H new ATOM 0 HD2 PRO A 24 -1.492 11.252 -0.216 1.00 1.38 H new ATOM 0 HD3 PRO A 24 -2.859 12.349 -0.233 1.00 1.38 H new ATOM 402 N ARG A 25 0.513 13.485 -4.362 1.00 0.76 N ATOM 403 CA ARG A 25 1.774 13.140 -5.065 1.00 0.69 C ATOM 404 C ARG A 25 2.992 13.295 -4.145 1.00 0.70 C ATOM 405 O ARG A 25 4.001 12.642 -4.324 1.00 0.75 O ATOM 406 CB ARG A 25 1.826 14.148 -6.197 1.00 0.82 C ATOM 407 CG ARG A 25 2.963 13.796 -7.154 1.00 1.22 C ATOM 408 CD ARG A 25 2.882 14.695 -8.387 1.00 1.52 C ATOM 409 NE ARG A 25 3.299 16.039 -7.907 1.00 2.27 N ATOM 410 CZ ARG A 25 4.084 16.776 -8.641 1.00 2.96 C ATOM 411 NH1 ARG A 25 5.255 16.324 -8.999 1.00 3.59 N ATOM 412 NH2 ARG A 25 3.698 17.964 -9.018 1.00 3.40 N ATOM 0 H ARG A 25 -0.010 14.255 -4.779 1.00 0.76 H new ATOM 0 HA ARG A 25 1.796 12.104 -5.404 1.00 0.69 H new ATOM 0 HB2 ARG A 25 0.877 14.155 -6.733 1.00 0.82 H new ATOM 0 HB3 ARG A 25 1.974 15.151 -5.796 1.00 0.82 H new ATOM 0 HG2 ARG A 25 3.925 13.926 -6.658 1.00 1.22 H new ATOM 0 HG3 ARG A 25 2.895 12.749 -7.448 1.00 1.22 H new ATOM 0 HD2 ARG A 25 3.538 14.338 -9.181 1.00 1.52 H new ATOM 0 HD3 ARG A 25 1.871 14.717 -8.795 1.00 1.52 H new ATOM 0 HE ARG A 25 2.971 16.384 -7.005 1.00 2.27 H new ATOM 0 HH11 ARG A 25 5.555 15.395 -8.704 1.00 3.59 H new ATOM 0 HH12 ARG A 25 5.870 16.900 -9.574 1.00 3.59 H new ATOM 0 HH21 ARG A 25 2.782 18.315 -8.738 1.00 3.40 H new ATOM 0 HH22 ARG A 25 4.312 18.541 -9.593 1.00 3.40 H new ATOM 426 N ARG A 26 2.924 14.180 -3.189 1.00 0.77 N ATOM 427 CA ARG A 26 4.101 14.401 -2.295 1.00 0.87 C ATOM 428 C ARG A 26 4.522 13.117 -1.562 1.00 0.94 C ATOM 429 O ARG A 26 5.698 12.849 -1.415 1.00 1.02 O ATOM 430 CB ARG A 26 3.628 15.449 -1.289 1.00 1.01 C ATOM 431 CG ARG A 26 3.350 16.767 -2.016 1.00 1.51 C ATOM 432 CD ARG A 26 2.841 17.809 -1.016 1.00 1.79 C ATOM 433 NE ARG A 26 3.994 18.077 -0.112 1.00 2.27 N ATOM 434 CZ ARG A 26 4.408 19.301 0.071 1.00 2.75 C ATOM 435 NH1 ARG A 26 4.523 20.110 -0.946 1.00 3.48 N ATOM 436 NH2 ARG A 26 4.708 19.716 1.271 1.00 2.97 N ATOM 0 H ARG A 26 2.109 14.759 -2.987 1.00 0.77 H new ATOM 0 HA ARG A 26 4.975 14.716 -2.865 1.00 0.87 H new ATOM 0 HB2 ARG A 26 2.726 15.103 -0.784 1.00 1.01 H new ATOM 0 HB3 ARG A 26 4.386 15.599 -0.520 1.00 1.01 H new ATOM 0 HG2 ARG A 26 4.259 17.126 -2.499 1.00 1.51 H new ATOM 0 HG3 ARG A 26 2.611 16.611 -2.802 1.00 1.51 H new ATOM 0 HD2 ARG A 26 2.519 18.718 -1.524 1.00 1.79 H new ATOM 0 HD3 ARG A 26 1.982 17.434 -0.459 1.00 1.79 H new ATOM 0 HE ARG A 26 4.460 17.304 0.364 1.00 2.27 H new ATOM 0 HH11 ARG A 26 4.289 19.786 -1.884 1.00 3.48 H new ATOM 0 HH12 ARG A 26 4.847 21.067 -0.803 1.00 3.48 H new ATOM 0 HH21 ARG A 26 4.619 19.084 2.066 1.00 2.97 H new ATOM 0 HH22 ARG A 26 5.032 20.673 1.414 1.00 2.97 H new ATOM 450 N PHE A 27 3.596 12.325 -1.088 1.00 0.95 N ATOM 451 CA PHE A 27 3.993 11.079 -0.359 1.00 1.06 C ATOM 452 C PHE A 27 3.469 9.827 -1.076 1.00 0.98 C ATOM 453 O PHE A 27 3.426 8.750 -0.515 1.00 1.03 O ATOM 454 CB PHE A 27 3.354 11.219 1.023 1.00 1.23 C ATOM 455 CG PHE A 27 3.956 12.403 1.743 1.00 1.37 C ATOM 456 CD1 PHE A 27 5.156 12.256 2.451 1.00 1.57 C ATOM 457 CD2 PHE A 27 3.314 13.647 1.706 1.00 1.58 C ATOM 458 CE1 PHE A 27 5.714 13.353 3.120 1.00 1.89 C ATOM 459 CE2 PHE A 27 3.872 14.744 2.376 1.00 1.89 C ATOM 460 CZ PHE A 27 5.072 14.596 3.083 1.00 2.02 C ATOM 0 H PHE A 27 2.592 12.482 -1.171 1.00 0.95 H new ATOM 0 HA PHE A 27 5.076 10.965 -0.306 1.00 1.06 H new ATOM 0 HB2 PHE A 27 2.276 11.350 0.925 1.00 1.23 H new ATOM 0 HB3 PHE A 27 3.513 10.309 1.602 1.00 1.23 H new ATOM 0 HD1 PHE A 27 5.651 11.297 2.481 1.00 1.57 H new ATOM 0 HD2 PHE A 27 2.389 13.761 1.161 1.00 1.58 H new ATOM 0 HE1 PHE A 27 6.640 13.240 3.664 1.00 1.89 H new ATOM 0 HE2 PHE A 27 3.377 15.703 2.347 1.00 1.89 H new ATOM 0 HZ PHE A 27 5.502 15.441 3.600 1.00 2.02 H new ATOM 470 N ALA A 28 3.044 9.969 -2.300 1.00 0.87 N ATOM 471 CA ALA A 28 2.493 8.796 -3.040 1.00 0.83 C ATOM 472 C ALA A 28 3.609 7.846 -3.478 1.00 0.80 C ATOM 473 O ALA A 28 4.683 8.261 -3.865 1.00 0.83 O ATOM 474 CB ALA A 28 1.807 9.391 -4.268 1.00 0.85 C ATOM 0 H ALA A 28 3.054 10.846 -2.821 1.00 0.87 H new ATOM 0 HA ALA A 28 1.813 8.215 -2.417 1.00 0.83 H new ATOM 0 HB1 ALA A 28 1.374 8.590 -4.867 1.00 0.85 H new ATOM 0 HB2 ALA A 28 1.018 10.073 -3.950 1.00 0.85 H new ATOM 0 HB3 ALA A 28 2.538 9.936 -4.865 1.00 0.85 H new ATOM 480 N VAL A 29 3.342 6.569 -3.439 1.00 0.78 N ATOM 481 CA VAL A 29 4.360 5.570 -3.872 1.00 0.80 C ATOM 482 C VAL A 29 3.958 5.016 -5.246 1.00 0.77 C ATOM 483 O VAL A 29 2.954 4.344 -5.367 1.00 0.77 O ATOM 484 CB VAL A 29 4.342 4.466 -2.800 1.00 0.84 C ATOM 485 CG1 VAL A 29 4.769 5.057 -1.454 1.00 1.76 C ATOM 486 CG2 VAL A 29 2.936 3.865 -2.664 1.00 1.31 C ATOM 0 H VAL A 29 2.457 6.173 -3.124 1.00 0.78 H new ATOM 0 HA VAL A 29 5.359 5.996 -3.968 1.00 0.80 H new ATOM 0 HB VAL A 29 5.033 3.679 -3.100 1.00 0.84 H new ATOM 0 HG11 VAL A 29 4.757 4.276 -0.694 1.00 1.76 H new ATOM 0 HG12 VAL A 29 5.776 5.465 -1.539 1.00 1.76 H new ATOM 0 HG13 VAL A 29 4.079 5.851 -1.170 1.00 1.76 H new ATOM 0 HG21 VAL A 29 2.945 3.087 -1.901 1.00 1.31 H new ATOM 0 HG22 VAL A 29 2.233 4.646 -2.377 1.00 1.31 H new ATOM 0 HG23 VAL A 29 2.630 3.435 -3.618 1.00 1.31 H new ATOM 496 N PRO A 30 4.742 5.322 -6.252 1.00 0.79 N ATOM 497 CA PRO A 30 4.422 4.842 -7.617 1.00 0.81 C ATOM 498 C PRO A 30 4.527 3.321 -7.664 1.00 0.78 C ATOM 499 O PRO A 30 5.484 2.745 -7.187 1.00 0.81 O ATOM 500 CB PRO A 30 5.477 5.515 -8.495 1.00 0.88 C ATOM 501 CG PRO A 30 6.607 5.813 -7.565 1.00 0.90 C ATOM 502 CD PRO A 30 5.983 6.107 -6.225 1.00 0.86 C ATOM 0 HA PRO A 30 3.411 5.084 -7.945 1.00 0.81 H new ATOM 0 HB2 PRO A 30 5.794 4.860 -9.307 1.00 0.88 H new ATOM 0 HB3 PRO A 30 5.090 6.425 -8.953 1.00 0.88 H new ATOM 0 HG2 PRO A 30 7.290 4.966 -7.499 1.00 0.90 H new ATOM 0 HG3 PRO A 30 7.188 6.665 -7.919 1.00 0.90 H new ATOM 0 HD2 PRO A 30 6.633 5.805 -5.404 1.00 0.86 H new ATOM 0 HD3 PRO A 30 5.783 7.171 -6.099 1.00 0.86 H new ATOM 510 N ASN A 31 3.525 2.664 -8.201 1.00 0.76 N ATOM 511 CA ASN A 31 3.518 1.163 -8.255 1.00 0.78 C ATOM 512 C ASN A 31 3.270 0.611 -6.846 1.00 0.77 C ATOM 513 O ASN A 31 4.106 0.716 -5.971 1.00 0.78 O ATOM 514 CB ASN A 31 4.897 0.728 -8.776 1.00 0.81 C ATOM 515 CG ASN A 31 4.801 -0.671 -9.388 1.00 1.36 C ATOM 516 OD1 ASN A 31 3.726 -1.223 -9.509 1.00 2.14 O ATOM 517 ND2 ASN A 31 5.892 -1.271 -9.780 1.00 1.89 N ATOM 0 H ASN A 31 2.702 3.108 -8.609 1.00 0.76 H new ATOM 0 HA ASN A 31 2.732 0.785 -8.909 1.00 0.78 H new ATOM 0 HB2 ASN A 31 5.255 1.438 -9.522 1.00 0.81 H new ATOM 0 HB3 ASN A 31 5.621 0.730 -7.961 1.00 0.81 H new ATOM 0 HD21 ASN A 31 5.842 -2.204 -10.188 1.00 1.89 H new ATOM 0 HD22 ASN A 31 6.794 -0.806 -9.678 1.00 1.89 H new ATOM 524 N VAL A 32 2.122 0.032 -6.621 1.00 1.11 N ATOM 525 CA VAL A 32 1.802 -0.523 -5.270 1.00 1.22 C ATOM 526 C VAL A 32 2.772 -1.648 -4.916 1.00 0.88 C ATOM 527 O VAL A 32 3.204 -2.396 -5.769 1.00 1.22 O ATOM 528 CB VAL A 32 0.375 -1.044 -5.392 1.00 1.81 C ATOM 529 CG1 VAL A 32 -0.536 0.107 -5.822 1.00 2.63 C ATOM 530 CG2 VAL A 32 0.328 -2.158 -6.441 1.00 2.80 C ATOM 0 H VAL A 32 1.386 -0.082 -7.318 1.00 1.11 H new ATOM 0 HA VAL A 32 1.894 0.221 -4.479 1.00 1.22 H new ATOM 0 HB VAL A 32 0.040 -1.440 -4.434 1.00 1.81 H new ATOM 0 HG11 VAL A 32 -1.560 -0.254 -5.913 1.00 2.63 H new ATOM 0 HG12 VAL A 32 -0.496 0.901 -5.076 1.00 2.63 H new ATOM 0 HG13 VAL A 32 -0.202 0.496 -6.784 1.00 2.63 H new ATOM 0 HG21 VAL A 32 -0.692 -2.532 -6.529 1.00 2.80 H new ATOM 0 HG22 VAL A 32 0.655 -1.765 -7.404 1.00 2.80 H new ATOM 0 HG23 VAL A 32 0.987 -2.971 -6.138 1.00 2.80 H new ATOM 540 N LYS A 33 3.139 -1.762 -3.668 1.00 0.75 N ATOM 541 CA LYS A 33 4.105 -2.826 -3.281 1.00 0.60 C ATOM 542 C LYS A 33 3.564 -3.684 -2.126 1.00 0.58 C ATOM 543 O LYS A 33 3.400 -3.227 -1.021 1.00 0.55 O ATOM 544 CB LYS A 33 5.346 -2.032 -2.846 1.00 0.89 C ATOM 545 CG LYS A 33 6.507 -2.975 -2.519 1.00 0.81 C ATOM 546 CD LYS A 33 7.724 -2.150 -2.062 1.00 0.77 C ATOM 547 CE LYS A 33 8.489 -1.651 -3.292 1.00 1.40 C ATOM 548 NZ LYS A 33 9.392 -0.589 -2.772 1.00 1.87 N ATOM 0 H LYS A 33 2.813 -1.168 -2.905 1.00 0.75 H new ATOM 0 HA LYS A 33 4.307 -3.529 -4.089 1.00 0.60 H new ATOM 0 HB2 LYS A 33 5.641 -1.346 -3.640 1.00 0.89 H new ATOM 0 HB3 LYS A 33 5.107 -1.425 -1.973 1.00 0.89 H new ATOM 0 HG2 LYS A 33 6.213 -3.674 -1.736 1.00 0.81 H new ATOM 0 HG3 LYS A 33 6.765 -3.569 -3.396 1.00 0.81 H new ATOM 0 HD2 LYS A 33 7.398 -1.305 -1.455 1.00 0.77 H new ATOM 0 HD3 LYS A 33 8.376 -2.759 -1.436 1.00 0.77 H new ATOM 0 HE2 LYS A 33 9.054 -2.457 -3.760 1.00 1.40 H new ATOM 0 HE3 LYS A 33 7.809 -1.257 -4.048 1.00 1.40 H new ATOM 0 HZ1 LYS A 33 9.890 -0.137 -3.566 1.00 1.87 H new ATOM 0 HZ2 LYS A 33 8.832 0.125 -2.264 1.00 1.87 H new ATOM 0 HZ3 LYS A 33 10.086 -1.011 -2.123 1.00 1.87 H new ATOM 562 N LEU A 34 3.286 -4.934 -2.375 1.00 0.62 N ATOM 563 CA LEU A 34 2.758 -5.788 -1.264 1.00 0.62 C ATOM 564 C LEU A 34 3.721 -5.709 -0.082 1.00 0.57 C ATOM 565 O LEU A 34 3.319 -5.609 1.060 1.00 0.55 O ATOM 566 CB LEU A 34 2.707 -7.220 -1.787 1.00 0.72 C ATOM 567 CG LEU A 34 2.200 -8.132 -0.662 1.00 0.76 C ATOM 568 CD1 LEU A 34 0.673 -8.061 -0.597 1.00 0.82 C ATOM 569 CD2 LEU A 34 2.633 -9.572 -0.939 1.00 0.88 C ATOM 0 H LEU A 34 3.397 -5.397 -3.277 1.00 0.62 H new ATOM 0 HA LEU A 34 1.770 -5.459 -0.941 1.00 0.62 H new ATOM 0 HB2 LEU A 34 2.047 -7.284 -2.652 1.00 0.72 H new ATOM 0 HB3 LEU A 34 3.696 -7.538 -2.116 1.00 0.72 H new ATOM 0 HG LEU A 34 2.619 -7.804 0.289 1.00 0.76 H new ATOM 0 HD11 LEU A 34 0.312 -8.709 0.202 1.00 0.82 H new ATOM 0 HD12 LEU A 34 0.365 -7.034 -0.399 1.00 0.82 H new ATOM 0 HD13 LEU A 34 0.253 -8.389 -1.548 1.00 0.82 H new ATOM 0 HD21 LEU A 34 2.273 -10.220 -0.140 1.00 0.88 H new ATOM 0 HD22 LEU A 34 2.214 -9.901 -1.890 1.00 0.88 H new ATOM 0 HD23 LEU A 34 3.721 -9.622 -0.985 1.00 0.88 H new ATOM 581 N HIS A 35 4.991 -5.740 -0.357 1.00 0.57 N ATOM 582 CA HIS A 35 5.988 -5.652 0.737 1.00 0.57 C ATOM 583 C HIS A 35 5.769 -4.371 1.543 1.00 0.52 C ATOM 584 O HIS A 35 5.915 -4.357 2.738 1.00 0.52 O ATOM 585 CB HIS A 35 7.344 -5.599 0.032 1.00 0.60 C ATOM 586 CG HIS A 35 7.532 -6.843 -0.792 1.00 0.99 C ATOM 587 ND1 HIS A 35 7.153 -6.910 -2.124 1.00 1.79 N ATOM 588 CD2 HIS A 35 8.054 -8.077 -0.489 1.00 1.70 C ATOM 589 CE1 HIS A 35 7.448 -8.146 -2.568 1.00 2.16 C ATOM 590 NE2 HIS A 35 7.999 -8.897 -1.611 1.00 2.09 N ATOM 0 H HIS A 35 5.382 -5.823 -1.295 1.00 0.57 H new ATOM 0 HA HIS A 35 5.915 -6.490 1.430 1.00 0.57 H new ATOM 0 HB2 HIS A 35 7.400 -4.716 -0.605 1.00 0.60 H new ATOM 0 HB3 HIS A 35 8.144 -5.513 0.767 1.00 0.60 H new ATOM 0 HD2 HIS A 35 8.447 -8.366 0.474 1.00 1.70 H new ATOM 0 HE1 HIS A 35 7.262 -8.489 -3.575 1.00 2.16 H new ATOM 0 HE2 HIS A 35 8.312 -9.865 -1.687 1.00 2.09 H new ATOM 598 N GLU A 36 5.402 -3.300 0.893 1.00 0.51 N ATOM 599 CA GLU A 36 5.162 -2.038 1.656 1.00 0.51 C ATOM 600 C GLU A 36 3.812 -2.067 2.388 1.00 0.52 C ATOM 601 O GLU A 36 3.718 -1.711 3.546 1.00 0.53 O ATOM 602 CB GLU A 36 5.284 -0.876 0.643 1.00 0.58 C ATOM 603 CG GLU A 36 3.927 -0.493 0.030 1.00 1.22 C ATOM 604 CD GLU A 36 4.117 0.639 -0.985 1.00 1.45 C ATOM 605 OE1 GLU A 36 5.227 1.135 -1.096 1.00 1.89 O ATOM 606 OE2 GLU A 36 3.145 0.992 -1.634 1.00 1.94 O ATOM 0 H GLU A 36 5.259 -3.241 -0.115 1.00 0.51 H new ATOM 0 HA GLU A 36 5.898 -1.909 2.449 1.00 0.51 H new ATOM 0 HB2 GLU A 36 5.714 -0.007 1.140 1.00 0.58 H new ATOM 0 HB3 GLU A 36 5.972 -1.161 -0.153 1.00 0.58 H new ATOM 0 HG2 GLU A 36 3.480 -1.360 -0.457 1.00 1.22 H new ATOM 0 HG3 GLU A 36 3.239 -0.179 0.815 1.00 1.22 H new ATOM 613 N LEU A 37 2.760 -2.435 1.714 1.00 0.56 N ATOM 614 CA LEU A 37 1.425 -2.415 2.377 1.00 0.64 C ATOM 615 C LEU A 37 1.342 -3.371 3.562 1.00 0.63 C ATOM 616 O LEU A 37 1.007 -2.966 4.654 1.00 0.67 O ATOM 617 CB LEU A 37 0.431 -2.846 1.299 1.00 0.74 C ATOM 618 CG LEU A 37 0.059 -1.649 0.426 1.00 0.96 C ATOM 619 CD1 LEU A 37 -0.700 -2.140 -0.807 1.00 1.41 C ATOM 620 CD2 LEU A 37 -0.838 -0.698 1.225 1.00 1.75 C ATOM 0 H LEU A 37 2.764 -2.746 0.743 1.00 0.56 H new ATOM 0 HA LEU A 37 1.220 -1.423 2.778 1.00 0.64 H new ATOM 0 HB2 LEU A 37 0.867 -3.634 0.685 1.00 0.74 H new ATOM 0 HB3 LEU A 37 -0.464 -3.261 1.762 1.00 0.74 H new ATOM 0 HG LEU A 37 0.964 -1.126 0.117 1.00 0.96 H new ATOM 0 HD11 LEU A 37 -0.967 -1.288 -1.433 1.00 1.41 H new ATOM 0 HD12 LEU A 37 -0.069 -2.823 -1.375 1.00 1.41 H new ATOM 0 HD13 LEU A 37 -1.606 -2.659 -0.494 1.00 1.41 H new ATOM 0 HD21 LEU A 37 -1.105 0.157 0.605 1.00 1.75 H new ATOM 0 HD22 LEU A 37 -1.744 -1.222 1.530 1.00 1.75 H new ATOM 0 HD23 LEU A 37 -0.304 -0.352 2.110 1.00 1.75 H new ATOM 632 N VAL A 38 1.636 -4.627 3.379 1.00 0.61 N ATOM 633 CA VAL A 38 1.530 -5.561 4.534 1.00 0.64 C ATOM 634 C VAL A 38 2.615 -5.252 5.570 1.00 0.58 C ATOM 635 O VAL A 38 2.337 -5.096 6.743 1.00 0.62 O ATOM 636 CB VAL A 38 1.711 -6.948 3.917 1.00 0.69 C ATOM 637 CG1 VAL A 38 1.659 -8.007 5.017 1.00 1.26 C ATOM 638 CG2 VAL A 38 0.581 -7.201 2.906 1.00 1.32 C ATOM 0 H VAL A 38 1.939 -5.042 2.498 1.00 0.61 H new ATOM 0 HA VAL A 38 0.582 -5.478 5.065 1.00 0.64 H new ATOM 0 HB VAL A 38 2.675 -7.002 3.411 1.00 0.69 H new ATOM 0 HG11 VAL A 38 1.788 -8.996 4.577 1.00 1.26 H new ATOM 0 HG12 VAL A 38 2.457 -7.823 5.737 1.00 1.26 H new ATOM 0 HG13 VAL A 38 0.695 -7.958 5.523 1.00 1.26 H new ATOM 0 HG21 VAL A 38 0.704 -8.189 2.462 1.00 1.32 H new ATOM 0 HG22 VAL A 38 -0.381 -7.150 3.415 1.00 1.32 H new ATOM 0 HG23 VAL A 38 0.618 -6.444 2.122 1.00 1.32 H new ATOM 648 N GLU A 39 3.846 -5.177 5.154 1.00 0.52 N ATOM 649 CA GLU A 39 4.953 -4.895 6.132 1.00 0.51 C ATOM 650 C GLU A 39 4.672 -3.626 6.953 1.00 0.49 C ATOM 651 O GLU A 39 5.121 -3.493 8.074 1.00 0.51 O ATOM 652 CB GLU A 39 6.224 -4.721 5.305 1.00 0.50 C ATOM 653 CG GLU A 39 7.440 -4.708 6.236 1.00 1.06 C ATOM 654 CD GLU A 39 8.715 -4.443 5.428 1.00 1.76 C ATOM 655 OE1 GLU A 39 8.612 -4.283 4.223 1.00 2.44 O ATOM 656 OE2 GLU A 39 9.775 -4.402 6.032 1.00 2.26 O ATOM 0 H GLU A 39 4.142 -5.297 4.185 1.00 0.52 H new ATOM 0 HA GLU A 39 5.047 -5.712 6.847 1.00 0.51 H new ATOM 0 HB2 GLU A 39 6.314 -5.532 4.582 1.00 0.50 H new ATOM 0 HB3 GLU A 39 6.177 -3.792 4.737 1.00 0.50 H new ATOM 0 HG2 GLU A 39 7.316 -3.939 6.999 1.00 1.06 H new ATOM 0 HG3 GLU A 39 7.521 -5.663 6.756 1.00 1.06 H new ATOM 663 N ALA A 40 3.930 -2.701 6.414 1.00 0.46 N ATOM 664 CA ALA A 40 3.627 -1.457 7.185 1.00 0.48 C ATOM 665 C ALA A 40 2.750 -1.793 8.399 1.00 0.50 C ATOM 666 O ALA A 40 3.044 -1.420 9.517 1.00 0.53 O ATOM 667 CB ALA A 40 2.876 -0.558 6.203 1.00 0.49 C ATOM 0 H ALA A 40 3.521 -2.748 5.481 1.00 0.46 H new ATOM 0 HA ALA A 40 4.525 -0.973 7.569 1.00 0.48 H new ATOM 0 HB1 ALA A 40 2.616 0.380 6.694 1.00 0.49 H new ATOM 0 HB2 ALA A 40 3.510 -0.353 5.340 1.00 0.49 H new ATOM 0 HB3 ALA A 40 1.966 -1.059 5.874 1.00 0.49 H new ATOM 673 N SER A 41 1.676 -2.494 8.177 1.00 0.52 N ATOM 674 CA SER A 41 0.768 -2.862 9.306 1.00 0.57 C ATOM 675 C SER A 41 1.514 -3.724 10.333 1.00 0.62 C ATOM 676 O SER A 41 1.283 -3.633 11.522 1.00 0.68 O ATOM 677 CB SER A 41 -0.379 -3.649 8.653 1.00 0.64 C ATOM 678 OG SER A 41 -0.609 -4.863 9.361 1.00 1.37 O ATOM 0 H SER A 41 1.383 -2.831 7.260 1.00 0.52 H new ATOM 0 HA SER A 41 0.402 -1.988 9.845 1.00 0.57 H new ATOM 0 HB2 SER A 41 -1.287 -3.045 8.647 1.00 0.64 H new ATOM 0 HB3 SER A 41 -0.134 -3.867 7.613 1.00 0.64 H new ATOM 0 HG SER A 41 -1.343 -5.355 8.937 1.00 1.37 H new ATOM 684 N LYS A 42 2.402 -4.561 9.877 1.00 0.66 N ATOM 685 CA LYS A 42 3.160 -5.438 10.814 1.00 0.77 C ATOM 686 C LYS A 42 3.930 -4.589 11.823 1.00 0.79 C ATOM 687 O LYS A 42 4.097 -4.956 12.969 1.00 0.89 O ATOM 688 CB LYS A 42 4.123 -6.219 9.923 1.00 0.82 C ATOM 689 CG LYS A 42 4.884 -7.240 10.766 1.00 1.57 C ATOM 690 CD LYS A 42 5.907 -7.961 9.890 1.00 1.99 C ATOM 691 CE LYS A 42 6.556 -9.089 10.691 1.00 2.75 C ATOM 692 NZ LYS A 42 6.336 -10.313 9.875 1.00 3.01 N ATOM 0 H LYS A 42 2.637 -4.677 8.891 1.00 0.66 H new ATOM 0 HA LYS A 42 2.508 -6.097 11.388 1.00 0.77 H new ATOM 0 HB2 LYS A 42 3.572 -6.725 9.130 1.00 0.82 H new ATOM 0 HB3 LYS A 42 4.823 -5.537 9.440 1.00 0.82 H new ATOM 0 HG2 LYS A 42 5.386 -6.741 11.595 1.00 1.57 H new ATOM 0 HG3 LYS A 42 4.190 -7.959 11.200 1.00 1.57 H new ATOM 0 HD2 LYS A 42 5.421 -8.364 9.001 1.00 1.99 H new ATOM 0 HD3 LYS A 42 6.667 -7.259 9.547 1.00 1.99 H new ATOM 0 HE2 LYS A 42 7.619 -8.903 10.846 1.00 2.75 H new ATOM 0 HE3 LYS A 42 6.102 -9.185 11.677 1.00 2.75 H new ATOM 0 HZ1 LYS A 42 6.754 -11.133 10.359 1.00 3.01 H new ATOM 0 HZ2 LYS A 42 5.315 -10.468 9.750 1.00 3.01 H new ATOM 0 HZ3 LYS A 42 6.785 -10.195 8.944 1.00 3.01 H new ATOM 706 N GLU A 43 4.407 -3.460 11.394 1.00 0.73 N ATOM 707 CA GLU A 43 5.177 -2.571 12.306 1.00 0.82 C ATOM 708 C GLU A 43 4.325 -2.138 13.505 1.00 0.89 C ATOM 709 O GLU A 43 4.824 -1.972 14.600 1.00 1.02 O ATOM 710 CB GLU A 43 5.532 -1.366 11.440 1.00 0.85 C ATOM 711 CG GLU A 43 6.558 -1.779 10.382 1.00 0.97 C ATOM 712 CD GLU A 43 7.839 -2.259 11.068 1.00 1.70 C ATOM 713 OE1 GLU A 43 8.011 -1.960 12.239 1.00 2.27 O ATOM 714 OE2 GLU A 43 8.629 -2.915 10.409 1.00 2.24 O ATOM 0 H GLU A 43 4.297 -3.109 10.442 1.00 0.73 H new ATOM 0 HA GLU A 43 6.054 -3.067 12.722 1.00 0.82 H new ATOM 0 HB2 GLU A 43 4.636 -0.975 10.959 1.00 0.85 H new ATOM 0 HB3 GLU A 43 5.936 -0.566 12.060 1.00 0.85 H new ATOM 0 HG2 GLU A 43 6.150 -2.572 9.756 1.00 0.97 H new ATOM 0 HG3 GLU A 43 6.778 -0.937 9.726 1.00 0.97 H new ATOM 721 N LEU A 44 3.047 -1.958 13.315 1.00 0.83 N ATOM 722 CA LEU A 44 2.177 -1.541 14.456 1.00 0.93 C ATOM 723 C LEU A 44 1.328 -2.718 14.963 1.00 0.95 C ATOM 724 O LEU A 44 0.634 -2.611 15.955 1.00 1.04 O ATOM 725 CB LEU A 44 1.292 -0.434 13.883 1.00 0.90 C ATOM 726 CG LEU A 44 1.700 0.906 14.496 1.00 1.31 C ATOM 727 CD1 LEU A 44 1.635 2.003 13.431 1.00 1.97 C ATOM 728 CD2 LEU A 44 0.743 1.247 15.640 1.00 1.95 C ATOM 0 H LEU A 44 2.567 -2.080 12.423 1.00 0.83 H new ATOM 0 HA LEU A 44 2.759 -1.201 15.313 1.00 0.93 H new ATOM 0 HB2 LEU A 44 1.393 -0.397 12.798 1.00 0.90 H new ATOM 0 HB3 LEU A 44 0.244 -0.642 14.099 1.00 0.90 H new ATOM 0 HG LEU A 44 2.719 0.837 14.877 1.00 1.31 H new ATOM 0 HD11 LEU A 44 1.926 2.956 13.872 1.00 1.97 H new ATOM 0 HD12 LEU A 44 2.314 1.758 12.615 1.00 1.97 H new ATOM 0 HD13 LEU A 44 0.618 2.077 13.047 1.00 1.97 H new ATOM 0 HD21 LEU A 44 1.029 2.202 16.081 1.00 1.95 H new ATOM 0 HD22 LEU A 44 -0.274 1.315 15.255 1.00 1.95 H new ATOM 0 HD23 LEU A 44 0.792 0.467 16.400 1.00 1.95 H new ATOM 740 N GLY A 45 1.387 -3.845 14.298 1.00 0.92 N ATOM 741 CA GLY A 45 0.605 -5.048 14.732 1.00 1.02 C ATOM 742 C GLY A 45 -0.917 -4.837 14.597 1.00 0.92 C ATOM 743 O GLY A 45 -1.683 -5.748 14.838 1.00 1.01 O ATOM 0 H GLY A 45 1.952 -3.986 13.460 1.00 0.92 H new ATOM 0 HA2 GLY A 45 0.905 -5.909 14.134 1.00 1.02 H new ATOM 0 HA3 GLY A 45 0.847 -5.281 15.769 1.00 1.02 H new ATOM 747 N LEU A 46 -1.367 -3.667 14.215 1.00 0.84 N ATOM 748 CA LEU A 46 -2.839 -3.436 14.077 1.00 0.82 C ATOM 749 C LEU A 46 -3.117 -1.998 13.647 1.00 0.89 C ATOM 750 O LEU A 46 -3.177 -1.102 14.466 1.00 1.65 O ATOM 751 CB LEU A 46 -3.439 -3.658 15.470 1.00 0.86 C ATOM 752 CG LEU A 46 -4.958 -3.488 15.390 1.00 1.10 C ATOM 753 CD1 LEU A 46 -5.605 -4.833 15.060 1.00 1.69 C ATOM 754 CD2 LEU A 46 -5.492 -2.975 16.729 1.00 1.70 C ATOM 0 H LEU A 46 -0.780 -2.863 13.993 1.00 0.84 H new ATOM 0 HA LEU A 46 -3.265 -4.104 13.329 1.00 0.82 H new ATOM 0 HB2 LEU A 46 -3.190 -4.655 15.833 1.00 0.86 H new ATOM 0 HB3 LEU A 46 -3.017 -2.946 16.180 1.00 0.86 H new ATOM 0 HG LEU A 46 -5.200 -2.768 14.608 1.00 1.10 H new ATOM 0 HD11 LEU A 46 -6.687 -4.712 15.003 1.00 1.69 H new ATOM 0 HD12 LEU A 46 -5.229 -5.192 14.102 1.00 1.69 H new ATOM 0 HD13 LEU A 46 -5.361 -5.555 15.839 1.00 1.69 H new ATOM 0 HD21 LEU A 46 -6.574 -2.855 16.668 1.00 1.70 H new ATOM 0 HD22 LEU A 46 -5.250 -3.690 17.515 1.00 1.70 H new ATOM 0 HD23 LEU A 46 -5.033 -2.013 16.959 1.00 1.70 H new ATOM 766 N LYS A 47 -3.305 -1.760 12.385 1.00 0.55 N ATOM 767 CA LYS A 47 -3.598 -0.386 11.912 1.00 0.52 C ATOM 768 C LYS A 47 -4.485 -0.506 10.676 1.00 0.48 C ATOM 769 O LYS A 47 -5.459 0.197 10.521 1.00 0.52 O ATOM 770 CB LYS A 47 -2.243 0.223 11.555 1.00 0.69 C ATOM 771 CG LYS A 47 -2.431 1.695 11.188 1.00 1.06 C ATOM 772 CD LYS A 47 -1.081 2.304 10.814 1.00 1.15 C ATOM 773 CE LYS A 47 -0.599 1.694 9.496 1.00 0.95 C ATOM 774 NZ LYS A 47 0.272 2.738 8.887 1.00 1.52 N ATOM 0 H LYS A 47 -3.268 -2.468 11.652 1.00 0.55 H new ATOM 0 HA LYS A 47 -4.110 0.232 12.650 1.00 0.52 H new ATOM 0 HB2 LYS A 47 -1.557 0.131 12.397 1.00 0.69 H new ATOM 0 HB3 LYS A 47 -1.797 -0.318 10.720 1.00 0.69 H new ATOM 0 HG2 LYS A 47 -3.127 1.787 10.354 1.00 1.06 H new ATOM 0 HG3 LYS A 47 -2.866 2.237 12.027 1.00 1.06 H new ATOM 0 HD2 LYS A 47 -1.172 3.386 10.716 1.00 1.15 H new ATOM 0 HD3 LYS A 47 -0.353 2.116 11.603 1.00 1.15 H new ATOM 0 HE2 LYS A 47 -0.047 0.770 9.667 1.00 0.95 H new ATOM 0 HE3 LYS A 47 -1.437 1.449 8.844 1.00 0.95 H new ATOM 0 HZ1 LYS A 47 0.898 2.300 8.182 1.00 1.52 H new ATOM 0 HZ2 LYS A 47 -0.320 3.458 8.425 1.00 1.52 H new ATOM 0 HZ3 LYS A 47 0.847 3.187 9.629 1.00 1.52 H new ATOM 788 N PHE A 48 -4.161 -1.433 9.812 1.00 0.57 N ATOM 789 CA PHE A 48 -4.983 -1.659 8.599 1.00 0.77 C ATOM 790 C PHE A 48 -4.986 -3.163 8.282 1.00 0.66 C ATOM 791 O PHE A 48 -4.295 -3.937 8.913 1.00 0.57 O ATOM 792 CB PHE A 48 -4.362 -0.778 7.488 1.00 1.10 C ATOM 793 CG PHE A 48 -3.414 -1.548 6.604 1.00 0.80 C ATOM 794 CD1 PHE A 48 -3.901 -2.188 5.459 1.00 0.98 C ATOM 795 CD2 PHE A 48 -2.056 -1.601 6.913 1.00 1.53 C ATOM 796 CE1 PHE A 48 -3.027 -2.886 4.623 1.00 1.30 C ATOM 797 CE2 PHE A 48 -1.180 -2.294 6.077 1.00 1.98 C ATOM 798 CZ PHE A 48 -1.666 -2.939 4.929 1.00 1.68 C ATOM 0 H PHE A 48 -3.351 -2.047 9.902 1.00 0.57 H new ATOM 0 HA PHE A 48 -6.029 -1.377 8.715 1.00 0.77 H new ATOM 0 HB2 PHE A 48 -5.159 -0.353 6.878 1.00 1.10 H new ATOM 0 HB3 PHE A 48 -3.831 0.057 7.945 1.00 1.10 H new ATOM 0 HD1 PHE A 48 -4.954 -2.142 5.222 1.00 0.98 H new ATOM 0 HD2 PHE A 48 -1.683 -1.107 7.798 1.00 1.53 H new ATOM 0 HE1 PHE A 48 -3.403 -3.384 3.741 1.00 1.30 H new ATOM 0 HE2 PHE A 48 -0.127 -2.334 6.313 1.00 1.98 H new ATOM 0 HZ PHE A 48 -0.987 -3.476 4.283 1.00 1.68 H new ATOM 808 N ARG A 49 -5.751 -3.580 7.320 1.00 0.71 N ATOM 809 CA ARG A 49 -5.796 -5.019 6.972 1.00 0.66 C ATOM 810 C ARG A 49 -5.840 -5.163 5.461 1.00 0.62 C ATOM 811 O ARG A 49 -6.469 -4.378 4.779 1.00 0.63 O ATOM 812 CB ARG A 49 -7.089 -5.539 7.589 1.00 0.73 C ATOM 813 CG ARG A 49 -7.228 -7.028 7.277 1.00 1.08 C ATOM 814 CD ARG A 49 -8.590 -7.532 7.763 1.00 1.56 C ATOM 815 NE ARG A 49 -8.556 -7.382 9.245 1.00 2.02 N ATOM 816 CZ ARG A 49 -9.016 -8.334 10.009 1.00 2.47 C ATOM 817 NH1 ARG A 49 -8.359 -9.456 10.121 1.00 2.98 N ATOM 818 NH2 ARG A 49 -10.133 -8.162 10.661 1.00 2.88 N ATOM 0 H ARG A 49 -6.352 -2.980 6.755 1.00 0.71 H new ATOM 0 HA ARG A 49 -4.928 -5.568 7.336 1.00 0.66 H new ATOM 0 HB2 ARG A 49 -7.082 -5.380 8.667 1.00 0.73 H new ATOM 0 HB3 ARG A 49 -7.943 -4.990 7.191 1.00 0.73 H new ATOM 0 HG2 ARG A 49 -7.129 -7.196 6.205 1.00 1.08 H new ATOM 0 HG3 ARG A 49 -6.428 -7.587 7.762 1.00 1.08 H new ATOM 0 HD2 ARG A 49 -9.403 -6.952 7.327 1.00 1.56 H new ATOM 0 HD3 ARG A 49 -8.751 -8.571 7.476 1.00 1.56 H new ATOM 0 HE ARG A 49 -8.173 -6.534 9.663 1.00 2.02 H new ATOM 0 HH11 ARG A 49 -7.486 -9.589 9.611 1.00 2.98 H new ATOM 0 HH12 ARG A 49 -8.719 -10.200 10.718 1.00 2.98 H new ATOM 0 HH21 ARG A 49 -10.645 -7.284 10.573 1.00 2.88 H new ATOM 0 HH22 ARG A 49 -10.494 -8.905 11.259 1.00 2.88 H new ATOM 832 N ALA A 50 -5.181 -6.143 4.923 1.00 0.59 N ATOM 833 CA ALA A 50 -5.206 -6.296 3.450 1.00 0.59 C ATOM 834 C ALA A 50 -6.323 -7.258 3.031 1.00 0.70 C ATOM 835 O ALA A 50 -6.416 -8.374 3.503 1.00 0.95 O ATOM 836 CB ALA A 50 -3.833 -6.860 3.082 1.00 0.76 C ATOM 0 H ALA A 50 -4.633 -6.837 5.432 1.00 0.59 H new ATOM 0 HA ALA A 50 -5.402 -5.352 2.942 1.00 0.59 H new ATOM 0 HB1 ALA A 50 -3.775 -7.001 2.003 1.00 0.76 H new ATOM 0 HB2 ALA A 50 -3.057 -6.164 3.399 1.00 0.76 H new ATOM 0 HB3 ALA A 50 -3.687 -7.818 3.582 1.00 0.76 H new ATOM 842 N GLU A 51 -7.167 -6.818 2.143 1.00 0.72 N ATOM 843 CA GLU A 51 -8.294 -7.665 1.657 1.00 0.99 C ATOM 844 C GLU A 51 -8.008 -8.140 0.232 1.00 0.93 C ATOM 845 O GLU A 51 -7.223 -7.548 -0.482 1.00 0.95 O ATOM 846 CB GLU A 51 -9.535 -6.776 1.707 1.00 1.32 C ATOM 847 CG GLU A 51 -9.797 -6.360 3.158 1.00 1.79 C ATOM 848 CD GLU A 51 -11.178 -5.706 3.271 1.00 2.28 C ATOM 849 OE1 GLU A 51 -11.797 -5.484 2.243 1.00 2.49 O ATOM 850 OE2 GLU A 51 -11.594 -5.440 4.388 1.00 2.92 O ATOM 0 H GLU A 51 -7.124 -5.889 1.724 1.00 0.72 H new ATOM 0 HA GLU A 51 -8.433 -8.558 2.267 1.00 0.99 H new ATOM 0 HB2 GLU A 51 -9.391 -5.894 1.083 1.00 1.32 H new ATOM 0 HB3 GLU A 51 -10.397 -7.311 1.308 1.00 1.32 H new ATOM 0 HG2 GLU A 51 -9.743 -7.231 3.811 1.00 1.79 H new ATOM 0 HG3 GLU A 51 -9.027 -5.664 3.491 1.00 1.79 H new ATOM 857 N GLU A 52 -8.651 -9.188 -0.201 1.00 1.23 N ATOM 858 CA GLU A 52 -8.429 -9.679 -1.588 1.00 1.25 C ATOM 859 C GLU A 52 -9.781 -9.874 -2.276 1.00 1.53 C ATOM 860 O GLU A 52 -10.759 -10.222 -1.643 1.00 1.85 O ATOM 861 CB GLU A 52 -7.690 -11.006 -1.441 1.00 1.56 C ATOM 862 CG GLU A 52 -6.331 -10.753 -0.788 1.00 1.96 C ATOM 863 CD GLU A 52 -5.539 -12.061 -0.718 1.00 2.49 C ATOM 864 OE1 GLU A 52 -6.140 -13.107 -0.898 1.00 3.12 O ATOM 865 OE2 GLU A 52 -4.345 -11.992 -0.481 1.00 2.95 O ATOM 0 H GLU A 52 -9.322 -9.726 0.347 1.00 1.23 H new ATOM 0 HA GLU A 52 -7.854 -8.980 -2.195 1.00 1.25 H new ATOM 0 HB2 GLU A 52 -8.276 -11.697 -0.835 1.00 1.56 H new ATOM 0 HB3 GLU A 52 -7.557 -11.472 -2.417 1.00 1.56 H new ATOM 0 HG2 GLU A 52 -5.775 -10.010 -1.360 1.00 1.96 H new ATOM 0 HG3 GLU A 52 -6.469 -10.346 0.214 1.00 1.96 H new ATOM 872 N LYS A 53 -9.849 -9.630 -3.560 1.00 1.55 N ATOM 873 CA LYS A 53 -11.144 -9.778 -4.299 1.00 1.92 C ATOM 874 C LYS A 53 -11.869 -11.066 -3.877 1.00 2.08 C ATOM 875 O LYS A 53 -11.259 -12.017 -3.427 1.00 2.72 O ATOM 876 CB LYS A 53 -10.745 -9.837 -5.774 1.00 2.55 C ATOM 877 CG LYS A 53 -11.942 -9.459 -6.649 1.00 3.20 C ATOM 878 CD LYS A 53 -11.542 -9.574 -8.121 1.00 4.10 C ATOM 879 CE LYS A 53 -12.624 -8.939 -8.999 1.00 4.80 C ATOM 880 NZ LYS A 53 -12.778 -7.547 -8.483 1.00 5.58 N ATOM 0 H LYS A 53 -9.060 -9.333 -4.133 1.00 1.55 H new ATOM 0 HA LYS A 53 -11.832 -8.959 -4.092 1.00 1.92 H new ATOM 0 HB2 LYS A 53 -9.915 -9.156 -5.963 1.00 2.55 H new ATOM 0 HB3 LYS A 53 -10.400 -10.839 -6.027 1.00 2.55 H new ATOM 0 HG2 LYS A 53 -12.786 -10.116 -6.436 1.00 3.20 H new ATOM 0 HG3 LYS A 53 -12.265 -8.442 -6.425 1.00 3.20 H new ATOM 0 HD2 LYS A 53 -10.586 -9.078 -8.288 1.00 4.10 H new ATOM 0 HD3 LYS A 53 -11.409 -10.622 -8.391 1.00 4.10 H new ATOM 0 HE2 LYS A 53 -12.330 -8.940 -10.049 1.00 4.80 H new ATOM 0 HE3 LYS A 53 -13.561 -9.491 -8.930 1.00 4.80 H new ATOM 0 HZ1 LYS A 53 -13.100 -6.925 -9.252 1.00 5.58 H new ATOM 0 HZ2 LYS A 53 -13.478 -7.537 -7.714 1.00 5.58 H new ATOM 0 HZ3 LYS A 53 -11.863 -7.207 -8.123 1.00 5.58 H new ATOM 894 N LYS A 54 -13.169 -11.086 -3.994 1.00 2.29 N ATOM 895 CA LYS A 54 -13.954 -12.286 -3.577 1.00 3.03 C ATOM 896 C LYS A 54 -13.420 -13.556 -4.248 1.00 3.01 C ATOM 897 O LYS A 54 -13.427 -14.624 -3.667 1.00 3.27 O ATOM 898 CB LYS A 54 -15.374 -11.983 -4.050 1.00 3.92 C ATOM 899 CG LYS A 54 -16.362 -12.954 -3.402 1.00 4.58 C ATOM 900 CD LYS A 54 -17.744 -12.749 -4.026 1.00 5.54 C ATOM 901 CE LYS A 54 -18.287 -11.379 -3.609 1.00 6.32 C ATOM 902 NZ LYS A 54 -19.491 -11.163 -4.458 1.00 7.09 N ATOM 0 H LYS A 54 -13.727 -10.316 -4.364 1.00 2.29 H new ATOM 0 HA LYS A 54 -13.896 -12.467 -2.504 1.00 3.03 H new ATOM 0 HB2 LYS A 54 -15.640 -10.957 -3.795 1.00 3.92 H new ATOM 0 HB3 LYS A 54 -15.430 -12.066 -5.135 1.00 3.92 H new ATOM 0 HG2 LYS A 54 -16.031 -13.982 -3.549 1.00 4.58 H new ATOM 0 HG3 LYS A 54 -16.406 -12.784 -2.326 1.00 4.58 H new ATOM 0 HD2 LYS A 54 -17.679 -12.812 -5.112 1.00 5.54 H new ATOM 0 HD3 LYS A 54 -18.423 -13.537 -3.701 1.00 5.54 H new ATOM 0 HE2 LYS A 54 -18.544 -11.363 -2.550 1.00 6.32 H new ATOM 0 HE3 LYS A 54 -17.546 -10.596 -3.770 1.00 6.32 H new ATOM 0 HZ1 LYS A 54 -19.917 -10.243 -4.228 1.00 7.09 H new ATOM 0 HZ2 LYS A 54 -19.216 -11.176 -5.461 1.00 7.09 H new ATOM 0 HZ3 LYS A 54 -20.182 -11.919 -4.279 1.00 7.09 H new ATOM 916 N TYR A 55 -12.967 -13.457 -5.464 1.00 3.38 N ATOM 917 CA TYR A 55 -12.444 -14.667 -6.162 1.00 4.01 C ATOM 918 C TYR A 55 -11.038 -14.399 -6.722 1.00 4.31 C ATOM 919 O TYR A 55 -10.895 -13.774 -7.754 1.00 4.35 O ATOM 920 CB TYR A 55 -13.446 -14.927 -7.288 1.00 4.54 C ATOM 921 CG TYR A 55 -14.773 -15.330 -6.685 1.00 5.10 C ATOM 922 CD1 TYR A 55 -14.822 -16.360 -5.739 1.00 5.46 C ATOM 923 CD2 TYR A 55 -15.949 -14.672 -7.064 1.00 5.64 C ATOM 924 CE1 TYR A 55 -16.045 -16.730 -5.168 1.00 6.23 C ATOM 925 CE2 TYR A 55 -17.174 -15.044 -6.494 1.00 6.46 C ATOM 926 CZ TYR A 55 -17.221 -16.073 -5.547 1.00 6.70 C ATOM 927 OH TYR A 55 -18.427 -16.435 -4.982 1.00 7.63 O ATOM 0 H TYR A 55 -12.935 -12.594 -6.006 1.00 3.38 H new ATOM 0 HA TYR A 55 -12.348 -15.525 -5.497 1.00 4.01 H new ATOM 0 HB2 TYR A 55 -13.566 -14.032 -7.898 1.00 4.54 H new ATOM 0 HB3 TYR A 55 -13.077 -15.714 -7.946 1.00 4.54 H new ATOM 0 HD1 TYR A 55 -13.915 -16.870 -5.449 1.00 5.46 H new ATOM 0 HD2 TYR A 55 -15.912 -13.878 -7.795 1.00 5.64 H new ATOM 0 HE1 TYR A 55 -16.081 -17.522 -4.435 1.00 6.23 H new ATOM 0 HE2 TYR A 55 -18.082 -14.537 -6.786 1.00 6.46 H new ATOM 0 HH TYR A 55 -19.143 -15.879 -5.355 1.00 7.63 H new ATOM 937 N PRO A 56 -10.039 -14.882 -6.019 1.00 4.92 N ATOM 938 CA PRO A 56 -8.632 -14.684 -6.461 1.00 5.54 C ATOM 939 C PRO A 56 -8.357 -15.462 -7.748 1.00 5.43 C ATOM 940 O PRO A 56 -7.446 -15.150 -8.488 1.00 5.77 O ATOM 941 CB PRO A 56 -7.808 -15.245 -5.304 1.00 6.49 C ATOM 942 CG PRO A 56 -8.719 -16.217 -4.633 1.00 6.42 C ATOM 943 CD PRO A 56 -10.110 -15.656 -4.771 1.00 5.48 C ATOM 0 HA PRO A 56 -8.399 -13.642 -6.681 1.00 5.54 H new ATOM 0 HB2 PRO A 56 -6.902 -15.733 -5.662 1.00 6.49 H new ATOM 0 HB3 PRO A 56 -7.496 -14.456 -4.620 1.00 6.49 H new ATOM 0 HG2 PRO A 56 -8.648 -17.201 -5.097 1.00 6.42 H new ATOM 0 HG3 PRO A 56 -8.452 -16.340 -3.584 1.00 6.42 H new ATOM 0 HD2 PRO A 56 -10.859 -16.446 -4.829 1.00 5.48 H new ATOM 0 HD3 PRO A 56 -10.376 -15.027 -3.922 1.00 5.48 H new ATOM 951 N LYS A 57 -9.134 -16.471 -8.023 1.00 5.30 N ATOM 952 CA LYS A 57 -8.907 -17.258 -9.268 1.00 5.50 C ATOM 953 C LYS A 57 -9.300 -16.413 -10.476 1.00 5.59 C ATOM 954 O LYS A 57 -10.303 -16.657 -11.118 1.00 5.92 O ATOM 955 CB LYS A 57 -9.821 -18.474 -9.138 1.00 5.89 C ATOM 956 CG LYS A 57 -9.401 -19.291 -7.916 1.00 6.45 C ATOM 957 CD LYS A 57 -10.361 -20.468 -7.735 1.00 7.09 C ATOM 958 CE LYS A 57 -10.309 -21.365 -8.973 1.00 7.61 C ATOM 959 NZ LYS A 57 -10.860 -22.670 -8.517 1.00 8.21 N ATOM 0 H LYS A 57 -9.913 -16.784 -7.444 1.00 5.30 H new ATOM 0 HA LYS A 57 -7.866 -17.553 -9.401 1.00 5.50 H new ATOM 0 HB2 LYS A 57 -10.858 -18.155 -9.038 1.00 5.89 H new ATOM 0 HB3 LYS A 57 -9.761 -19.086 -10.038 1.00 5.89 H new ATOM 0 HG2 LYS A 57 -8.381 -19.655 -8.042 1.00 6.45 H new ATOM 0 HG3 LYS A 57 -9.407 -18.663 -7.025 1.00 6.45 H new ATOM 0 HD2 LYS A 57 -10.089 -21.039 -6.847 1.00 7.09 H new ATOM 0 HD3 LYS A 57 -11.376 -20.102 -7.580 1.00 7.09 H new ATOM 0 HE2 LYS A 57 -10.900 -20.949 -9.789 1.00 7.61 H new ATOM 0 HE3 LYS A 57 -9.289 -21.473 -9.341 1.00 7.61 H new ATOM 0 HZ1 LYS A 57 -10.859 -23.343 -9.310 1.00 8.21 H new ATOM 0 HZ2 LYS A 57 -10.273 -23.044 -7.744 1.00 8.21 H new ATOM 0 HZ3 LYS A 57 -11.834 -22.536 -8.178 1.00 8.21 H new ATOM 973 N SER A 58 -8.529 -15.408 -10.782 1.00 5.60 N ATOM 974 CA SER A 58 -8.882 -14.543 -11.936 1.00 5.91 C ATOM 975 C SER A 58 -7.638 -13.847 -12.494 1.00 5.66 C ATOM 976 O SER A 58 -6.589 -13.835 -11.879 1.00 5.69 O ATOM 977 CB SER A 58 -9.870 -13.531 -11.365 1.00 6.32 C ATOM 978 OG SER A 58 -10.275 -12.638 -12.391 1.00 6.85 O ATOM 0 H SER A 58 -7.676 -15.151 -10.286 1.00 5.60 H new ATOM 0 HA SER A 58 -9.307 -15.108 -12.766 1.00 5.91 H new ATOM 0 HB2 SER A 58 -10.738 -14.046 -10.952 1.00 6.32 H new ATOM 0 HB3 SER A 58 -9.409 -12.978 -10.547 1.00 6.32 H new ATOM 0 HG SER A 58 -10.911 -11.988 -12.026 1.00 6.85 H new ATOM 984 N TRP A 59 -7.748 -13.279 -13.663 1.00 5.70 N ATOM 985 CA TRP A 59 -6.570 -12.593 -14.274 1.00 5.73 C ATOM 986 C TRP A 59 -6.875 -11.104 -14.443 1.00 5.40 C ATOM 987 O TRP A 59 -8.004 -10.674 -14.314 1.00 5.46 O ATOM 988 CB TRP A 59 -6.343 -13.253 -15.647 1.00 6.31 C ATOM 989 CG TRP A 59 -6.681 -14.716 -15.599 1.00 6.65 C ATOM 990 CD1 TRP A 59 -7.516 -15.337 -16.460 1.00 7.07 C ATOM 991 CD2 TRP A 59 -6.233 -15.737 -14.655 1.00 6.96 C ATOM 992 NE1 TRP A 59 -7.600 -16.673 -16.120 1.00 7.59 N ATOM 993 CE2 TRP A 59 -6.831 -16.969 -15.016 1.00 7.54 C ATOM 994 CE3 TRP A 59 -5.373 -15.721 -13.539 1.00 7.12 C ATOM 995 CZ2 TRP A 59 -6.588 -18.139 -14.299 1.00 8.14 C ATOM 996 CZ3 TRP A 59 -5.127 -16.901 -12.814 1.00 7.76 C ATOM 997 CH2 TRP A 59 -5.734 -18.106 -13.195 1.00 8.23 C ATOM 0 H TRP A 59 -8.601 -13.259 -14.223 1.00 5.70 H new ATOM 0 HA TRP A 59 -5.682 -12.684 -13.648 1.00 5.73 H new ATOM 0 HB2 TRP A 59 -6.957 -12.758 -16.399 1.00 6.31 H new ATOM 0 HB3 TRP A 59 -5.304 -13.125 -15.949 1.00 6.31 H new ATOM 0 HD1 TRP A 59 -8.034 -14.865 -17.282 1.00 7.07 H new ATOM 0 HE1 TRP A 59 -8.163 -17.357 -16.625 1.00 7.59 H new ATOM 0 HE3 TRP A 59 -4.900 -14.798 -13.239 1.00 7.12 H new ATOM 0 HZ2 TRP A 59 -7.057 -19.065 -14.595 1.00 8.14 H new ATOM 0 HZ3 TRP A 59 -4.467 -16.879 -11.959 1.00 7.76 H new ATOM 0 HH2 TRP A 59 -5.541 -19.009 -12.634 1.00 8.23 H new ATOM 1008 N TRP A 60 -5.877 -10.313 -14.723 1.00 5.36 N ATOM 1009 CA TRP A 60 -6.101 -8.848 -14.891 1.00 5.22 C ATOM 1010 C TRP A 60 -6.733 -8.266 -13.623 1.00 4.61 C ATOM 1011 O TRP A 60 -7.922 -8.014 -13.567 1.00 4.83 O ATOM 1012 CB TRP A 60 -7.045 -8.712 -16.090 1.00 5.73 C ATOM 1013 CG TRP A 60 -6.551 -7.616 -16.975 1.00 6.21 C ATOM 1014 CD1 TRP A 60 -7.084 -6.376 -17.044 1.00 6.55 C ATOM 1015 CD2 TRP A 60 -5.436 -7.636 -17.913 1.00 6.79 C ATOM 1016 NE1 TRP A 60 -6.365 -5.631 -17.962 1.00 7.23 N ATOM 1017 CE2 TRP A 60 -5.340 -6.364 -18.526 1.00 7.37 C ATOM 1018 CE3 TRP A 60 -4.508 -8.624 -18.289 1.00 7.14 C ATOM 1019 CZ2 TRP A 60 -4.358 -6.082 -19.475 1.00 8.15 C ATOM 1020 CZ3 TRP A 60 -3.518 -8.344 -19.246 1.00 7.97 C ATOM 1021 CH2 TRP A 60 -3.444 -7.075 -19.837 1.00 8.41 C ATOM 0 H TRP A 60 -4.911 -10.619 -14.843 1.00 5.36 H new ATOM 0 HA TRP A 60 -5.171 -8.305 -15.058 1.00 5.22 H new ATOM 0 HB2 TRP A 60 -7.090 -9.651 -16.642 1.00 5.73 H new ATOM 0 HB3 TRP A 60 -8.057 -8.494 -15.750 1.00 5.73 H new ATOM 0 HD1 TRP A 60 -7.932 -6.024 -16.476 1.00 6.55 H new ATOM 0 HE1 TRP A 60 -6.568 -4.659 -18.194 1.00 7.23 H new ATOM 0 HE3 TRP A 60 -4.557 -9.605 -17.839 1.00 7.14 H new ATOM 0 HZ2 TRP A 60 -4.304 -5.103 -19.927 1.00 8.15 H new ATOM 0 HZ3 TRP A 60 -2.811 -9.110 -19.528 1.00 7.97 H new ATOM 0 HH2 TRP A 60 -2.681 -6.865 -20.572 1.00 8.41 H new ATOM 1032 N GLU A 61 -5.937 -8.055 -12.603 1.00 4.23 N ATOM 1033 CA GLU A 61 -6.470 -7.495 -11.326 1.00 3.91 C ATOM 1034 C GLU A 61 -5.457 -6.523 -10.709 1.00 3.17 C ATOM 1035 O GLU A 61 -4.294 -6.509 -11.061 1.00 3.19 O ATOM 1036 CB GLU A 61 -6.664 -8.705 -10.412 1.00 4.49 C ATOM 1037 CG GLU A 61 -7.367 -8.272 -9.121 1.00 5.07 C ATOM 1038 CD GLU A 61 -7.399 -9.444 -8.142 1.00 5.29 C ATOM 1039 OE1 GLU A 61 -7.753 -10.532 -8.563 1.00 5.55 O ATOM 1040 OE2 GLU A 61 -7.065 -9.233 -6.988 1.00 5.57 O ATOM 0 H GLU A 61 -4.936 -8.248 -12.602 1.00 4.23 H new ATOM 0 HA GLU A 61 -7.396 -6.941 -11.477 1.00 3.91 H new ATOM 0 HB2 GLU A 61 -7.255 -9.466 -10.921 1.00 4.49 H new ATOM 0 HB3 GLU A 61 -5.699 -9.154 -10.178 1.00 4.49 H new ATOM 0 HG2 GLU A 61 -6.844 -7.426 -8.675 1.00 5.07 H new ATOM 0 HG3 GLU A 61 -8.382 -7.940 -9.340 1.00 5.07 H new ATOM 1047 N GLU A 62 -5.898 -5.716 -9.791 1.00 3.19 N ATOM 1048 CA GLU A 62 -4.989 -4.739 -9.134 1.00 3.23 C ATOM 1049 C GLU A 62 -4.221 -5.385 -7.969 1.00 2.52 C ATOM 1050 O GLU A 62 -3.549 -4.713 -7.212 1.00 2.95 O ATOM 1051 CB GLU A 62 -5.931 -3.654 -8.630 1.00 4.17 C ATOM 1052 CG GLU A 62 -6.577 -2.956 -9.830 1.00 4.81 C ATOM 1053 CD GLU A 62 -5.492 -2.317 -10.701 1.00 4.70 C ATOM 1054 OE1 GLU A 62 -4.379 -2.178 -10.222 1.00 4.61 O ATOM 1055 OE2 GLU A 62 -5.793 -1.981 -11.836 1.00 5.08 O ATOM 0 H GLU A 62 -6.863 -5.690 -9.462 1.00 3.19 H new ATOM 0 HA GLU A 62 -4.225 -4.358 -9.811 1.00 3.23 H new ATOM 0 HB2 GLU A 62 -6.698 -4.090 -7.990 1.00 4.17 H new ATOM 0 HB3 GLU A 62 -5.383 -2.932 -8.025 1.00 4.17 H new ATOM 0 HG2 GLU A 62 -7.150 -3.675 -10.416 1.00 4.81 H new ATOM 0 HG3 GLU A 62 -7.277 -2.194 -9.486 1.00 4.81 H new ATOM 1062 N GLY A 63 -4.303 -6.681 -7.825 1.00 2.07 N ATOM 1063 CA GLY A 63 -3.566 -7.357 -6.719 1.00 2.00 C ATOM 1064 C GLY A 63 -4.473 -7.522 -5.498 1.00 1.36 C ATOM 1065 O GLY A 63 -5.088 -8.553 -5.308 1.00 1.95 O ATOM 0 H GLY A 63 -4.848 -7.300 -8.425 1.00 2.07 H new ATOM 0 HA2 GLY A 63 -3.212 -8.333 -7.052 1.00 2.00 H new ATOM 0 HA3 GLY A 63 -2.685 -6.774 -6.450 1.00 2.00 H new ATOM 1069 N GLY A 64 -4.560 -6.518 -4.665 1.00 0.99 N ATOM 1070 CA GLY A 64 -5.428 -6.641 -3.458 1.00 0.70 C ATOM 1071 C GLY A 64 -5.848 -5.262 -2.945 1.00 0.63 C ATOM 1072 O GLY A 64 -5.463 -4.241 -3.469 1.00 0.75 O ATOM 0 H GLY A 64 -4.073 -5.627 -4.767 1.00 0.99 H new ATOM 0 HA2 GLY A 64 -6.314 -7.229 -3.700 1.00 0.70 H new ATOM 0 HA3 GLY A 64 -4.894 -7.178 -2.674 1.00 0.70 H new ATOM 1076 N ARG A 65 -6.657 -5.247 -1.926 1.00 0.55 N ATOM 1077 CA ARG A 65 -7.149 -3.958 -1.354 1.00 0.53 C ATOM 1078 C ARG A 65 -6.743 -3.855 0.116 1.00 0.48 C ATOM 1079 O ARG A 65 -6.536 -4.852 0.770 1.00 0.48 O ATOM 1080 CB ARG A 65 -8.672 -4.046 -1.475 1.00 0.63 C ATOM 1081 CG ARG A 65 -9.300 -2.728 -1.016 1.00 1.27 C ATOM 1082 CD ARG A 65 -10.826 -2.861 -1.004 1.00 1.32 C ATOM 1083 NE ARG A 65 -11.195 -3.190 -2.408 1.00 1.91 N ATOM 1084 CZ ARG A 65 -12.432 -3.473 -2.709 1.00 2.20 C ATOM 1085 NH1 ARG A 65 -13.196 -4.081 -1.842 1.00 2.65 N ATOM 1086 NH2 ARG A 65 -12.907 -3.148 -3.880 1.00 2.45 N ATOM 0 H ARG A 65 -7.005 -6.083 -1.456 1.00 0.55 H new ATOM 0 HA ARG A 65 -6.740 -3.086 -1.865 1.00 0.53 H new ATOM 0 HB2 ARG A 65 -8.954 -4.255 -2.507 1.00 0.63 H new ATOM 0 HB3 ARG A 65 -9.048 -4.870 -0.869 1.00 0.63 H new ATOM 0 HG2 ARG A 65 -8.940 -2.470 -0.020 1.00 1.27 H new ATOM 0 HG3 ARG A 65 -9.001 -1.919 -1.683 1.00 1.27 H new ATOM 0 HD2 ARG A 65 -11.149 -3.644 -0.317 1.00 1.32 H new ATOM 0 HD3 ARG A 65 -11.300 -1.935 -0.678 1.00 1.32 H new ATOM 0 HE ARG A 65 -10.480 -3.194 -3.135 1.00 1.91 H new ATOM 0 HH11 ARG A 65 -12.826 -4.336 -0.926 1.00 2.65 H new ATOM 0 HH12 ARG A 65 -14.163 -4.301 -2.080 1.00 2.65 H new ATOM 0 HH21 ARG A 65 -12.311 -2.673 -4.558 1.00 2.45 H new ATOM 0 HH22 ARG A 65 -13.874 -3.369 -4.117 1.00 2.45 H new ATOM 1100 N VAL A 66 -6.622 -2.668 0.650 1.00 0.47 N ATOM 1101 CA VAL A 66 -6.228 -2.564 2.092 1.00 0.46 C ATOM 1102 C VAL A 66 -7.246 -1.733 2.891 1.00 0.46 C ATOM 1103 O VAL A 66 -7.797 -0.764 2.417 1.00 0.46 O ATOM 1104 CB VAL A 66 -4.856 -1.890 2.088 1.00 0.49 C ATOM 1105 CG1 VAL A 66 -3.841 -2.794 1.386 1.00 0.94 C ATOM 1106 CG2 VAL A 66 -4.947 -0.564 1.340 1.00 0.79 C ATOM 0 H VAL A 66 -6.774 -1.783 0.166 1.00 0.47 H new ATOM 0 HA VAL A 66 -6.199 -3.543 2.570 1.00 0.46 H new ATOM 0 HB VAL A 66 -4.537 -1.714 3.115 1.00 0.49 H new ATOM 0 HG11 VAL A 66 -2.864 -2.311 1.384 1.00 0.94 H new ATOM 0 HG12 VAL A 66 -3.775 -3.745 1.914 1.00 0.94 H new ATOM 0 HG13 VAL A 66 -4.160 -2.970 0.359 1.00 0.94 H new ATOM 0 HG21 VAL A 66 -3.970 -0.081 1.336 1.00 0.79 H new ATOM 0 HG22 VAL A 66 -5.266 -0.746 0.314 1.00 0.79 H new ATOM 0 HG23 VAL A 66 -5.670 0.084 1.835 1.00 0.79 H new ATOM 1116 N VAL A 67 -7.490 -2.111 4.114 1.00 0.47 N ATOM 1117 CA VAL A 67 -8.459 -1.358 4.964 1.00 0.49 C ATOM 1118 C VAL A 67 -7.724 -0.827 6.195 1.00 0.47 C ATOM 1119 O VAL A 67 -6.952 -1.528 6.802 1.00 0.48 O ATOM 1120 CB VAL A 67 -9.526 -2.387 5.348 1.00 0.52 C ATOM 1121 CG1 VAL A 67 -10.590 -1.736 6.231 1.00 1.37 C ATOM 1122 CG2 VAL A 67 -10.197 -2.918 4.081 1.00 1.20 C ATOM 0 H VAL A 67 -7.057 -2.916 4.567 1.00 0.47 H new ATOM 0 HA VAL A 67 -8.907 -0.501 4.461 1.00 0.49 H new ATOM 0 HB VAL A 67 -9.050 -3.202 5.893 1.00 0.52 H new ATOM 0 HG11 VAL A 67 -11.344 -2.477 6.498 1.00 1.37 H new ATOM 0 HG12 VAL A 67 -10.124 -1.349 7.137 1.00 1.37 H new ATOM 0 HG13 VAL A 67 -11.062 -0.917 5.688 1.00 1.37 H new ATOM 0 HG21 VAL A 67 -10.957 -3.651 4.352 1.00 1.20 H new ATOM 0 HG22 VAL A 67 -10.664 -2.093 3.543 1.00 1.20 H new ATOM 0 HG23 VAL A 67 -9.449 -3.390 3.443 1.00 1.20 H new ATOM 1132 N VAL A 68 -7.937 0.402 6.564 1.00 0.47 N ATOM 1133 CA VAL A 68 -7.212 0.949 7.750 1.00 0.47 C ATOM 1134 C VAL A 68 -8.171 1.263 8.894 1.00 0.46 C ATOM 1135 O VAL A 68 -9.205 1.868 8.701 1.00 0.46 O ATOM 1136 CB VAL A 68 -6.539 2.237 7.268 1.00 0.51 C ATOM 1137 CG1 VAL A 68 -5.619 2.757 8.372 1.00 1.19 C ATOM 1138 CG2 VAL A 68 -5.711 1.957 6.008 1.00 1.07 C ATOM 0 H VAL A 68 -8.575 1.050 6.103 1.00 0.47 H new ATOM 0 HA VAL A 68 -6.494 0.224 8.132 1.00 0.47 H new ATOM 0 HB VAL A 68 -7.302 2.979 7.034 1.00 0.51 H new ATOM 0 HG11 VAL A 68 -5.134 3.675 8.039 1.00 1.19 H new ATOM 0 HG12 VAL A 68 -6.205 2.961 9.268 1.00 1.19 H new ATOM 0 HG13 VAL A 68 -4.861 2.007 8.597 1.00 1.19 H new ATOM 0 HG21 VAL A 68 -5.236 2.879 5.672 1.00 1.07 H new ATOM 0 HG22 VAL A 68 -4.945 1.215 6.234 1.00 1.07 H new ATOM 0 HG23 VAL A 68 -6.363 1.577 5.221 1.00 1.07 H new ATOM 1148 N GLU A 69 -7.823 0.882 10.095 1.00 0.48 N ATOM 1149 CA GLU A 69 -8.718 1.209 11.236 1.00 0.54 C ATOM 1150 C GLU A 69 -8.481 2.667 11.627 1.00 0.56 C ATOM 1151 O GLU A 69 -7.415 3.033 12.077 1.00 0.86 O ATOM 1152 CB GLU A 69 -8.298 0.271 12.371 1.00 0.81 C ATOM 1153 CG GLU A 69 -8.533 -1.182 11.953 1.00 1.67 C ATOM 1154 CD GLU A 69 -8.158 -2.120 13.105 1.00 1.97 C ATOM 1155 OE1 GLU A 69 -7.937 -1.628 14.200 1.00 2.31 O ATOM 1156 OE2 GLU A 69 -8.088 -3.315 12.869 1.00 2.40 O ATOM 0 H GLU A 69 -6.974 0.368 10.330 1.00 0.48 H new ATOM 0 HA GLU A 69 -9.775 1.084 11.001 1.00 0.54 H new ATOM 0 HB2 GLU A 69 -7.246 0.425 12.612 1.00 0.81 H new ATOM 0 HB3 GLU A 69 -8.868 0.497 13.272 1.00 0.81 H new ATOM 0 HG2 GLU A 69 -9.578 -1.327 11.679 1.00 1.67 H new ATOM 0 HG3 GLU A 69 -7.937 -1.417 11.071 1.00 1.67 H new ATOM 1163 N LYS A 70 -9.461 3.502 11.439 1.00 0.66 N ATOM 1164 CA LYS A 70 -9.298 4.947 11.773 1.00 0.87 C ATOM 1165 C LYS A 70 -10.617 5.658 11.492 1.00 1.11 C ATOM 1166 O LYS A 70 -11.250 6.202 12.375 1.00 1.84 O ATOM 1167 CB LYS A 70 -8.207 5.461 10.824 1.00 1.07 C ATOM 1168 CG LYS A 70 -6.972 5.881 11.624 1.00 1.08 C ATOM 1169 CD LYS A 70 -5.930 6.508 10.686 1.00 1.08 C ATOM 1170 CE LYS A 70 -5.079 7.508 11.469 1.00 1.82 C ATOM 1171 NZ LYS A 70 -3.753 7.484 10.795 1.00 2.28 N ATOM 0 H LYS A 70 -10.375 3.247 11.066 1.00 0.66 H new ATOM 0 HA LYS A 70 -9.030 5.117 12.816 1.00 0.87 H new ATOM 0 HB2 LYS A 70 -7.940 4.683 10.109 1.00 1.07 H new ATOM 0 HB3 LYS A 70 -8.583 6.307 10.249 1.00 1.07 H new ATOM 0 HG2 LYS A 70 -7.255 6.595 12.397 1.00 1.08 H new ATOM 0 HG3 LYS A 70 -6.544 5.016 12.130 1.00 1.08 H new ATOM 0 HD2 LYS A 70 -5.296 5.732 10.257 1.00 1.08 H new ATOM 0 HD3 LYS A 70 -6.427 7.009 9.855 1.00 1.08 H new ATOM 0 HE2 LYS A 70 -5.518 8.506 11.445 1.00 1.82 H new ATOM 0 HE3 LYS A 70 -4.996 7.222 12.517 1.00 1.82 H new ATOM 0 HZ1 LYS A 70 -3.114 8.158 11.263 1.00 2.28 H new ATOM 0 HZ2 LYS A 70 -3.351 6.527 10.854 1.00 2.28 H new ATOM 0 HZ3 LYS A 70 -3.866 7.751 9.796 1.00 2.28 H new ATOM 1185 N ARG A 71 -11.042 5.626 10.258 1.00 1.09 N ATOM 1186 CA ARG A 71 -12.333 6.265 9.880 1.00 1.33 C ATOM 1187 C ARG A 71 -12.367 7.732 10.327 1.00 0.96 C ATOM 1188 O ARG A 71 -11.506 8.194 11.049 1.00 1.17 O ATOM 1189 CB ARG A 71 -13.387 5.445 10.624 1.00 1.95 C ATOM 1190 CG ARG A 71 -14.668 5.383 9.799 1.00 2.70 C ATOM 1191 CD ARG A 71 -15.771 4.700 10.613 1.00 3.12 C ATOM 1192 NE ARG A 71 -16.914 4.553 9.670 1.00 3.97 N ATOM 1193 CZ ARG A 71 -18.053 5.134 9.928 1.00 4.49 C ATOM 1194 NH1 ARG A 71 -18.939 4.533 10.674 1.00 4.77 N ATOM 1195 NH2 ARG A 71 -18.304 6.317 9.441 1.00 5.04 N ATOM 0 H ARG A 71 -10.544 5.179 9.488 1.00 1.09 H new ATOM 0 HA ARG A 71 -12.495 6.275 8.802 1.00 1.33 H new ATOM 0 HB2 ARG A 71 -13.014 4.438 10.810 1.00 1.95 H new ATOM 0 HB3 ARG A 71 -13.591 5.894 11.596 1.00 1.95 H new ATOM 0 HG2 ARG A 71 -14.980 6.389 9.517 1.00 2.70 H new ATOM 0 HG3 ARG A 71 -14.491 4.833 8.875 1.00 2.70 H new ATOM 0 HD2 ARG A 71 -15.442 3.731 10.988 1.00 3.12 H new ATOM 0 HD3 ARG A 71 -16.050 5.299 11.480 1.00 3.12 H new ATOM 0 HE ARG A 71 -16.806 3.997 8.821 1.00 3.97 H new ATOM 0 HH11 ARG A 71 -18.741 3.608 11.056 1.00 4.77 H new ATOM 0 HH12 ARG A 71 -19.829 4.988 10.875 1.00 4.77 H new ATOM 0 HH21 ARG A 71 -17.610 6.787 8.859 1.00 5.04 H new ATOM 0 HH22 ARG A 71 -19.194 6.773 9.642 1.00 5.04 H new ATOM 1209 N GLY A 72 -13.356 8.469 9.897 1.00 0.97 N ATOM 1210 CA GLY A 72 -13.448 9.903 10.293 1.00 0.88 C ATOM 1211 C GLY A 72 -12.592 10.750 9.351 1.00 0.95 C ATOM 1212 O GLY A 72 -13.061 11.696 8.750 1.00 1.30 O ATOM 0 H GLY A 72 -14.105 8.139 9.288 1.00 0.97 H new ATOM 0 HA2 GLY A 72 -14.485 10.235 10.256 1.00 0.88 H new ATOM 0 HA3 GLY A 72 -13.109 10.029 11.321 1.00 0.88 H new ATOM 1216 N THR A 73 -11.340 10.415 9.218 1.00 1.23 N ATOM 1217 CA THR A 73 -10.448 11.194 8.315 1.00 1.49 C ATOM 1218 C THR A 73 -10.387 10.528 6.936 1.00 0.84 C ATOM 1219 O THR A 73 -10.802 9.399 6.769 1.00 1.10 O ATOM 1220 CB THR A 73 -9.084 11.176 9.005 1.00 2.43 C ATOM 1221 OG1 THR A 73 -8.192 12.006 8.287 1.00 3.05 O ATOM 1222 CG2 THR A 73 -8.537 9.747 9.051 1.00 2.85 C ATOM 0 H THR A 73 -10.894 9.633 9.697 1.00 1.23 H new ATOM 0 HA THR A 73 -10.798 12.213 8.149 1.00 1.49 H new ATOM 0 HB THR A 73 -9.189 11.544 10.026 1.00 2.43 H new ATOM 0 HG1 THR A 73 -7.995 12.808 8.814 1.00 3.05 H new ATOM 0 HG21 THR A 73 -7.565 9.745 9.544 1.00 2.85 H new ATOM 0 HG22 THR A 73 -9.227 9.111 9.606 1.00 2.85 H new ATOM 0 HG23 THR A 73 -8.429 9.366 8.036 1.00 2.85 H new ATOM 1230 N LYS A 74 -9.891 11.217 5.941 1.00 0.75 N ATOM 1231 CA LYS A 74 -9.833 10.603 4.581 1.00 0.67 C ATOM 1232 C LYS A 74 -8.389 10.548 4.052 1.00 0.57 C ATOM 1233 O LYS A 74 -7.662 9.616 4.329 1.00 0.59 O ATOM 1234 CB LYS A 74 -10.712 11.502 3.708 1.00 1.27 C ATOM 1235 CG LYS A 74 -12.158 11.424 4.200 1.00 1.77 C ATOM 1236 CD LYS A 74 -13.056 12.263 3.291 1.00 2.42 C ATOM 1237 CE LYS A 74 -14.488 12.230 3.829 1.00 3.29 C ATOM 1238 NZ LYS A 74 -15.339 12.652 2.682 1.00 4.03 N ATOM 0 H LYS A 74 -9.527 12.168 6.009 1.00 0.75 H new ATOM 0 HA LYS A 74 -10.182 9.570 4.585 1.00 0.67 H new ATOM 0 HB2 LYS A 74 -10.356 12.531 3.751 1.00 1.27 H new ATOM 0 HB3 LYS A 74 -10.653 11.188 2.666 1.00 1.27 H new ATOM 0 HG2 LYS A 74 -12.495 10.388 4.205 1.00 1.77 H new ATOM 0 HG3 LYS A 74 -12.223 11.785 5.226 1.00 1.77 H new ATOM 0 HD2 LYS A 74 -12.694 13.290 3.250 1.00 2.42 H new ATOM 0 HD3 LYS A 74 -13.028 11.874 2.273 1.00 2.42 H new ATOM 0 HE2 LYS A 74 -14.757 11.232 4.174 1.00 3.29 H new ATOM 0 HE3 LYS A 74 -14.607 12.904 4.678 1.00 3.29 H new ATOM 0 HZ1 LYS A 74 -16.337 12.654 2.973 1.00 4.03 H new ATOM 0 HZ2 LYS A 74 -15.064 13.608 2.379 1.00 4.03 H new ATOM 0 HZ3 LYS A 74 -15.210 11.988 1.892 1.00 4.03 H new ATOM 1252 N THR A 75 -7.969 11.521 3.280 1.00 0.51 N ATOM 1253 CA THR A 75 -6.580 11.486 2.733 1.00 0.46 C ATOM 1254 C THR A 75 -5.553 11.488 3.855 1.00 0.44 C ATOM 1255 O THR A 75 -4.548 10.816 3.766 1.00 0.41 O ATOM 1256 CB THR A 75 -6.443 12.743 1.869 1.00 0.52 C ATOM 1257 OG1 THR A 75 -7.583 12.866 1.031 1.00 0.94 O ATOM 1258 CG2 THR A 75 -5.184 12.637 0.999 1.00 0.64 C ATOM 0 H THR A 75 -8.525 12.332 3.008 1.00 0.51 H new ATOM 0 HA THR A 75 -6.403 10.580 2.154 1.00 0.46 H new ATOM 0 HB THR A 75 -6.365 13.618 2.515 1.00 0.52 H new ATOM 0 HG1 THR A 75 -7.498 13.671 0.479 1.00 0.94 H new ATOM 0 HG21 THR A 75 -5.089 13.533 0.385 1.00 0.64 H new ATOM 0 HG22 THR A 75 -4.307 12.541 1.639 1.00 0.64 H new ATOM 0 HG23 THR A 75 -5.260 11.762 0.354 1.00 0.64 H new ATOM 1266 N LYS A 76 -5.776 12.227 4.912 1.00 0.49 N ATOM 1267 CA LYS A 76 -4.762 12.239 6.011 1.00 0.52 C ATOM 1268 C LYS A 76 -4.440 10.802 6.397 1.00 0.46 C ATOM 1269 O LYS A 76 -3.289 10.423 6.494 1.00 0.44 O ATOM 1270 CB LYS A 76 -5.406 12.991 7.167 1.00 0.63 C ATOM 1271 CG LYS A 76 -5.733 14.404 6.702 1.00 1.45 C ATOM 1272 CD LYS A 76 -6.106 15.277 7.901 1.00 1.66 C ATOM 1273 CE LYS A 76 -6.473 16.675 7.403 1.00 2.55 C ATOM 1274 NZ LYS A 76 -7.344 17.250 8.464 1.00 3.04 N ATOM 0 H LYS A 76 -6.598 12.812 5.061 1.00 0.49 H new ATOM 0 HA LYS A 76 -3.828 12.720 5.719 1.00 0.52 H new ATOM 0 HB2 LYS A 76 -6.312 12.480 7.493 1.00 0.63 H new ATOM 0 HB3 LYS A 76 -4.731 13.020 8.023 1.00 0.63 H new ATOM 0 HG2 LYS A 76 -4.876 14.832 6.183 1.00 1.45 H new ATOM 0 HG3 LYS A 76 -6.557 14.379 5.989 1.00 1.45 H new ATOM 0 HD2 LYS A 76 -6.945 14.837 8.441 1.00 1.66 H new ATOM 0 HD3 LYS A 76 -5.272 15.333 8.600 1.00 1.66 H new ATOM 0 HE2 LYS A 76 -5.583 17.285 7.251 1.00 2.55 H new ATOM 0 HE3 LYS A 76 -6.995 16.628 6.447 1.00 2.55 H new ATOM 0 HZ1 LYS A 76 -7.636 18.210 8.191 1.00 3.04 H new ATOM 0 HZ2 LYS A 76 -8.187 16.653 8.582 1.00 3.04 H new ATOM 0 HZ3 LYS A 76 -6.819 17.289 9.361 1.00 3.04 H new ATOM 1288 N LEU A 77 -5.439 9.974 6.565 1.00 0.49 N ATOM 1289 CA LEU A 77 -5.157 8.549 6.877 1.00 0.51 C ATOM 1290 C LEU A 77 -4.257 8.002 5.775 1.00 0.43 C ATOM 1291 O LEU A 77 -3.284 7.326 6.024 1.00 0.43 O ATOM 1292 CB LEU A 77 -6.532 7.869 6.867 1.00 0.63 C ATOM 1293 CG LEU A 77 -6.380 6.345 6.765 1.00 1.47 C ATOM 1294 CD1 LEU A 77 -5.466 5.832 7.878 1.00 1.96 C ATOM 1295 CD2 LEU A 77 -7.757 5.691 6.895 1.00 2.42 C ATOM 0 H LEU A 77 -6.426 10.223 6.500 1.00 0.49 H new ATOM 0 HA LEU A 77 -4.654 8.390 7.831 1.00 0.51 H new ATOM 0 HB2 LEU A 77 -7.077 8.126 7.775 1.00 0.63 H new ATOM 0 HB3 LEU A 77 -7.120 8.238 6.027 1.00 0.63 H new ATOM 0 HG LEU A 77 -5.940 6.093 5.800 1.00 1.47 H new ATOM 0 HD11 LEU A 77 -5.365 4.750 7.796 1.00 1.96 H new ATOM 0 HD12 LEU A 77 -4.484 6.296 7.785 1.00 1.96 H new ATOM 0 HD13 LEU A 77 -5.896 6.084 8.847 1.00 1.96 H new ATOM 0 HD21 LEU A 77 -7.654 4.608 6.823 1.00 2.42 H new ATOM 0 HD22 LEU A 77 -8.194 5.951 7.859 1.00 2.42 H new ATOM 0 HD23 LEU A 77 -8.406 6.047 6.095 1.00 2.42 H new ATOM 1307 N MET A 78 -4.572 8.325 4.552 1.00 0.41 N ATOM 1308 CA MET A 78 -3.712 7.853 3.438 1.00 0.41 C ATOM 1309 C MET A 78 -2.331 8.462 3.635 1.00 0.37 C ATOM 1310 O MET A 78 -1.323 7.801 3.483 1.00 0.38 O ATOM 1311 CB MET A 78 -4.378 8.339 2.155 1.00 0.46 C ATOM 1312 CG MET A 78 -5.720 7.632 2.011 1.00 0.67 C ATOM 1313 SD MET A 78 -6.467 8.073 0.422 1.00 1.05 S ATOM 1314 CE MET A 78 -8.089 7.325 0.712 1.00 1.22 C ATOM 0 H MET A 78 -5.378 8.888 4.280 1.00 0.41 H new ATOM 0 HA MET A 78 -3.598 6.770 3.398 1.00 0.41 H new ATOM 0 HB2 MET A 78 -4.520 9.419 2.187 1.00 0.46 H new ATOM 0 HB3 MET A 78 -3.743 8.127 1.295 1.00 0.46 H new ATOM 0 HG2 MET A 78 -5.583 6.552 2.073 1.00 0.67 H new ATOM 0 HG3 MET A 78 -6.383 7.917 2.828 1.00 0.67 H new ATOM 0 HE1 MET A 78 -8.860 7.933 0.239 1.00 1.22 H new ATOM 0 HE2 MET A 78 -8.108 6.321 0.288 1.00 1.22 H new ATOM 0 HE3 MET A 78 -8.278 7.269 1.784 1.00 1.22 H new ATOM 1324 N ILE A 79 -2.274 9.711 4.028 1.00 0.35 N ATOM 1325 CA ILE A 79 -0.941 10.323 4.291 1.00 0.37 C ATOM 1326 C ILE A 79 -0.263 9.521 5.402 1.00 0.33 C ATOM 1327 O ILE A 79 0.888 9.148 5.298 1.00 0.35 O ATOM 1328 CB ILE A 79 -1.190 11.765 4.764 1.00 0.42 C ATOM 1329 CG1 ILE A 79 -2.031 12.560 3.749 1.00 0.89 C ATOM 1330 CG2 ILE A 79 0.153 12.472 4.951 1.00 0.79 C ATOM 1331 CD1 ILE A 79 -1.558 12.310 2.313 1.00 0.70 C ATOM 0 H ILE A 79 -3.078 10.321 4.175 1.00 0.35 H new ATOM 0 HA ILE A 79 -0.307 10.321 3.404 1.00 0.37 H new ATOM 0 HB ILE A 79 -1.740 11.719 5.704 1.00 0.42 H new ATOM 0 HG12 ILE A 79 -3.080 12.278 3.843 1.00 0.89 H new ATOM 0 HG13 ILE A 79 -1.966 13.624 3.975 1.00 0.89 H new ATOM 0 HG21 ILE A 79 -0.018 13.495 5.286 1.00 0.79 H new ATOM 0 HG22 ILE A 79 0.744 11.940 5.696 1.00 0.79 H new ATOM 0 HG23 ILE A 79 0.692 12.486 4.004 1.00 0.79 H new ATOM 0 HD11 ILE A 79 -2.173 12.886 1.622 1.00 0.70 H new ATOM 0 HD12 ILE A 79 -0.517 12.617 2.214 1.00 0.70 H new ATOM 0 HD13 ILE A 79 -1.647 11.249 2.080 1.00 0.70 H new ATOM 1343 N GLU A 80 -0.980 9.232 6.464 1.00 0.32 N ATOM 1344 CA GLU A 80 -0.370 8.431 7.561 1.00 0.33 C ATOM 1345 C GLU A 80 -0.059 7.033 7.036 1.00 0.30 C ATOM 1346 O GLU A 80 1.033 6.531 7.196 1.00 0.30 O ATOM 1347 CB GLU A 80 -1.429 8.381 8.665 1.00 0.36 C ATOM 1348 CG GLU A 80 -1.658 9.791 9.215 1.00 1.06 C ATOM 1349 CD GLU A 80 -0.347 10.339 9.785 1.00 1.67 C ATOM 1350 OE1 GLU A 80 0.550 9.547 10.024 1.00 2.10 O ATOM 1351 OE2 GLU A 80 -0.263 11.541 9.972 1.00 2.38 O ATOM 0 H GLU A 80 -1.949 9.514 6.613 1.00 0.32 H new ATOM 0 HA GLU A 80 0.561 8.858 7.934 1.00 0.33 H new ATOM 0 HB2 GLU A 80 -2.362 7.977 8.271 1.00 0.36 H new ATOM 0 HB3 GLU A 80 -1.105 7.715 9.465 1.00 0.36 H new ATOM 0 HG2 GLU A 80 -2.024 10.446 8.424 1.00 1.06 H new ATOM 0 HG3 GLU A 80 -2.423 9.770 9.991 1.00 1.06 H new ATOM 1358 N LEU A 81 -1.004 6.397 6.393 1.00 0.30 N ATOM 1359 CA LEU A 81 -0.721 5.040 5.852 1.00 0.30 C ATOM 1360 C LEU A 81 0.464 5.133 4.897 1.00 0.27 C ATOM 1361 O LEU A 81 1.368 4.323 4.942 1.00 0.26 O ATOM 1362 CB LEU A 81 -1.991 4.620 5.113 1.00 0.36 C ATOM 1363 CG LEU A 81 -1.848 3.172 4.647 1.00 0.43 C ATOM 1364 CD1 LEU A 81 -2.135 2.229 5.817 1.00 0.52 C ATOM 1365 CD2 LEU A 81 -2.843 2.900 3.517 1.00 0.50 C ATOM 0 H LEU A 81 -1.944 6.754 6.222 1.00 0.30 H new ATOM 0 HA LEU A 81 -0.468 4.316 6.626 1.00 0.30 H new ATOM 0 HB2 LEU A 81 -2.857 4.720 5.768 1.00 0.36 H new ATOM 0 HB3 LEU A 81 -2.161 5.274 4.258 1.00 0.36 H new ATOM 0 HG LEU A 81 -0.833 3.005 4.286 1.00 0.43 H new ATOM 0 HD11 LEU A 81 -2.033 1.196 5.485 1.00 0.52 H new ATOM 0 HD12 LEU A 81 -1.427 2.423 6.623 1.00 0.52 H new ATOM 0 HD13 LEU A 81 -3.150 2.396 6.178 1.00 0.52 H new ATOM 0 HD21 LEU A 81 -2.742 1.867 3.184 1.00 0.50 H new ATOM 0 HD22 LEU A 81 -3.858 3.067 3.878 1.00 0.50 H new ATOM 0 HD23 LEU A 81 -2.639 3.572 2.683 1.00 0.50 H new ATOM 1377 N ALA A 82 0.498 6.133 4.054 1.00 0.27 N ATOM 1378 CA ALA A 82 1.659 6.276 3.141 1.00 0.27 C ATOM 1379 C ALA A 82 2.905 6.523 3.986 1.00 0.24 C ATOM 1380 O ALA A 82 3.983 6.093 3.658 1.00 0.24 O ATOM 1381 CB ALA A 82 1.345 7.492 2.271 1.00 0.32 C ATOM 0 H ALA A 82 -0.223 6.848 3.962 1.00 0.27 H new ATOM 0 HA ALA A 82 1.834 5.393 2.526 1.00 0.27 H new ATOM 0 HB1 ALA A 82 2.163 7.658 1.570 1.00 0.32 H new ATOM 0 HB2 ALA A 82 0.423 7.315 1.718 1.00 0.32 H new ATOM 0 HB3 ALA A 82 1.225 8.371 2.904 1.00 0.32 H new ATOM 1387 N ARG A 83 2.760 7.225 5.076 1.00 0.25 N ATOM 1388 CA ARG A 83 3.946 7.494 5.937 1.00 0.27 C ATOM 1389 C ARG A 83 4.590 6.161 6.333 1.00 0.25 C ATOM 1390 O ARG A 83 5.788 5.985 6.230 1.00 0.26 O ATOM 1391 CB ARG A 83 3.393 8.219 7.165 1.00 0.33 C ATOM 1392 CG ARG A 83 4.552 8.787 7.984 1.00 0.61 C ATOM 1393 CD ARG A 83 4.004 9.505 9.219 1.00 1.04 C ATOM 1394 NE ARG A 83 5.195 10.135 9.852 1.00 1.56 N ATOM 1395 CZ ARG A 83 5.056 10.863 10.926 1.00 1.92 C ATOM 1396 NH1 ARG A 83 3.959 11.545 11.115 1.00 2.28 N ATOM 1397 NH2 ARG A 83 6.014 10.908 11.809 1.00 2.43 N ATOM 0 H ARG A 83 1.880 7.621 5.406 1.00 0.25 H new ATOM 0 HA ARG A 83 4.709 8.090 5.437 1.00 0.27 H new ATOM 0 HB2 ARG A 83 2.724 9.022 6.856 1.00 0.33 H new ATOM 0 HB3 ARG A 83 2.806 7.531 7.773 1.00 0.33 H new ATOM 0 HG2 ARG A 83 5.225 7.984 8.286 1.00 0.61 H new ATOM 0 HG3 ARG A 83 5.135 9.480 7.377 1.00 0.61 H new ATOM 0 HD2 ARG A 83 3.260 10.253 8.944 1.00 1.04 H new ATOM 0 HD3 ARG A 83 3.517 8.806 9.900 1.00 1.04 H new ATOM 0 HE ARG A 83 6.120 9.997 9.446 1.00 1.56 H new ATOM 0 HH11 ARG A 83 3.210 11.509 10.423 1.00 2.28 H new ATOM 0 HH12 ARG A 83 3.850 12.114 11.955 1.00 2.28 H new ATOM 0 HH21 ARG A 83 6.871 10.375 11.660 1.00 2.43 H new ATOM 0 HH22 ARG A 83 5.907 11.477 12.649 1.00 2.43 H new ATOM 1411 N LYS A 84 3.796 5.205 6.747 1.00 0.25 N ATOM 1412 CA LYS A 84 4.363 3.868 7.101 1.00 0.28 C ATOM 1413 C LYS A 84 4.772 3.137 5.823 1.00 0.24 C ATOM 1414 O LYS A 84 5.856 2.600 5.713 1.00 0.26 O ATOM 1415 CB LYS A 84 3.227 3.115 7.799 1.00 0.33 C ATOM 1416 CG LYS A 84 3.299 3.354 9.306 1.00 0.83 C ATOM 1417 CD LYS A 84 2.778 4.754 9.632 1.00 1.25 C ATOM 1418 CE LYS A 84 2.784 4.951 11.148 1.00 1.60 C ATOM 1419 NZ LYS A 84 4.199 4.718 11.558 1.00 2.01 N ATOM 0 H LYS A 84 2.785 5.292 6.855 1.00 0.25 H new ATOM 0 HA LYS A 84 5.244 3.946 7.738 1.00 0.28 H new ATOM 0 HB2 LYS A 84 2.264 3.451 7.414 1.00 0.33 H new ATOM 0 HB3 LYS A 84 3.301 2.048 7.586 1.00 0.33 H new ATOM 0 HG2 LYS A 84 2.708 2.604 9.831 1.00 0.83 H new ATOM 0 HG3 LYS A 84 4.327 3.249 9.652 1.00 0.83 H new ATOM 0 HD2 LYS A 84 3.402 5.508 9.153 1.00 1.25 H new ATOM 0 HD3 LYS A 84 1.768 4.880 9.241 1.00 1.25 H new ATOM 0 HE2 LYS A 84 2.454 5.954 11.418 1.00 1.60 H new ATOM 0 HE3 LYS A 84 2.109 4.251 11.640 1.00 1.60 H new ATOM 0 HZ1 LYS A 84 4.440 5.351 12.347 1.00 2.01 H new ATOM 0 HZ2 LYS A 84 4.315 3.729 11.859 1.00 2.01 H new ATOM 0 HZ3 LYS A 84 4.830 4.911 10.754 1.00 2.01 H new ATOM 1433 N ILE A 85 3.901 3.127 4.853 1.00 0.23 N ATOM 1434 CA ILE A 85 4.211 2.447 3.560 1.00 0.25 C ATOM 1435 C ILE A 85 5.430 3.086 2.884 1.00 0.21 C ATOM 1436 O ILE A 85 6.256 2.411 2.303 1.00 0.22 O ATOM 1437 CB ILE A 85 2.947 2.650 2.722 1.00 0.32 C ATOM 1438 CG1 ILE A 85 1.798 1.853 3.346 1.00 0.46 C ATOM 1439 CG2 ILE A 85 3.184 2.185 1.288 1.00 0.46 C ATOM 1440 CD1 ILE A 85 0.524 2.059 2.528 1.00 1.14 C ATOM 0 H ILE A 85 2.980 3.563 4.899 1.00 0.23 H new ATOM 0 HA ILE A 85 4.461 1.394 3.689 1.00 0.25 H new ATOM 0 HB ILE A 85 2.691 3.709 2.705 1.00 0.32 H new ATOM 0 HG12 ILE A 85 2.053 0.794 3.379 1.00 0.46 H new ATOM 0 HG13 ILE A 85 1.637 2.174 4.375 1.00 0.46 H new ATOM 0 HG21 ILE A 85 2.277 2.335 0.702 1.00 0.46 H new ATOM 0 HG22 ILE A 85 3.999 2.761 0.849 1.00 0.46 H new ATOM 0 HG23 ILE A 85 3.446 1.127 1.287 1.00 0.46 H new ATOM 0 HD11 ILE A 85 -0.291 1.490 2.975 1.00 1.14 H new ATOM 0 HD12 ILE A 85 0.265 3.118 2.518 1.00 1.14 H new ATOM 0 HD13 ILE A 85 0.688 1.716 1.506 1.00 1.14 H new ATOM 1452 N ALA A 86 5.537 4.378 2.947 1.00 0.22 N ATOM 1453 CA ALA A 86 6.684 5.074 2.304 1.00 0.28 C ATOM 1454 C ALA A 86 7.990 4.597 2.922 1.00 0.27 C ATOM 1455 O ALA A 86 8.983 4.431 2.240 1.00 0.29 O ATOM 1456 CB ALA A 86 6.463 6.560 2.590 1.00 0.37 C ATOM 0 H ALA A 86 4.873 4.991 3.421 1.00 0.22 H new ATOM 0 HA ALA A 86 6.744 4.875 1.234 1.00 0.28 H new ATOM 0 HB1 ALA A 86 7.272 7.140 2.146 1.00 0.37 H new ATOM 0 HB2 ALA A 86 5.512 6.876 2.161 1.00 0.37 H new ATOM 0 HB3 ALA A 86 6.448 6.725 3.667 1.00 0.37 H new ATOM 1462 N GLU A 87 8.006 4.380 4.212 1.00 0.27 N ATOM 1463 CA GLU A 87 9.276 3.919 4.830 1.00 0.33 C ATOM 1464 C GLU A 87 9.660 2.598 4.173 1.00 0.26 C ATOM 1465 O GLU A 87 10.758 2.441 3.683 1.00 0.27 O ATOM 1466 CB GLU A 87 8.958 3.718 6.313 1.00 0.42 C ATOM 1467 CG GLU A 87 10.245 3.384 7.072 1.00 1.24 C ATOM 1468 CD GLU A 87 9.920 3.078 8.539 1.00 1.79 C ATOM 1469 OE1 GLU A 87 8.752 3.116 8.892 1.00 2.39 O ATOM 1470 OE2 GLU A 87 10.848 2.809 9.284 1.00 2.24 O ATOM 0 H GLU A 87 7.216 4.499 4.846 1.00 0.27 H new ATOM 0 HA GLU A 87 10.102 4.619 4.705 1.00 0.33 H new ATOM 0 HB2 GLU A 87 8.505 4.620 6.724 1.00 0.42 H new ATOM 0 HB3 GLU A 87 8.233 2.913 6.434 1.00 0.42 H new ATOM 0 HG2 GLU A 87 10.737 2.526 6.613 1.00 1.24 H new ATOM 0 HG3 GLU A 87 10.941 4.221 7.011 1.00 1.24 H new ATOM 1477 N ILE A 88 8.783 1.632 4.176 1.00 0.26 N ATOM 1478 CA ILE A 88 9.152 0.323 3.569 1.00 0.30 C ATOM 1479 C ILE A 88 9.596 0.513 2.121 1.00 0.26 C ATOM 1480 O ILE A 88 10.582 -0.059 1.700 1.00 0.28 O ATOM 1481 CB ILE A 88 7.900 -0.536 3.662 1.00 0.39 C ATOM 1482 CG1 ILE A 88 7.548 -0.741 5.138 1.00 0.51 C ATOM 1483 CG2 ILE A 88 8.188 -1.893 3.018 1.00 0.59 C ATOM 1484 CD1 ILE A 88 6.060 -1.049 5.270 1.00 1.33 C ATOM 0 H ILE A 88 7.842 1.690 4.566 1.00 0.26 H new ATOM 0 HA ILE A 88 9.989 -0.148 4.084 1.00 0.30 H new ATOM 0 HB ILE A 88 7.069 -0.051 3.150 1.00 0.39 H new ATOM 0 HG12 ILE A 88 8.137 -1.559 5.553 1.00 0.51 H new ATOM 0 HG13 ILE A 88 7.797 0.153 5.709 1.00 0.51 H new ATOM 0 HG21 ILE A 88 7.298 -2.520 3.077 1.00 0.59 H new ATOM 0 HG22 ILE A 88 8.461 -1.749 1.973 1.00 0.59 H new ATOM 0 HG23 ILE A 88 9.010 -2.378 3.544 1.00 0.59 H new ATOM 0 HD11 ILE A 88 5.810 -1.195 6.321 1.00 1.33 H new ATOM 0 HD12 ILE A 88 5.479 -0.217 4.871 1.00 1.33 H new ATOM 0 HD13 ILE A 88 5.825 -1.956 4.712 1.00 1.33 H new ATOM 1496 N ARG A 89 8.929 1.337 1.353 1.00 0.28 N ATOM 1497 CA ARG A 89 9.406 1.558 -0.044 1.00 0.36 C ATOM 1498 C ARG A 89 10.852 2.052 0.053 1.00 0.33 C ATOM 1499 O ARG A 89 11.743 1.589 -0.630 1.00 0.36 O ATOM 1500 CB ARG A 89 8.484 2.652 -0.591 1.00 0.47 C ATOM 1501 CG ARG A 89 8.850 2.978 -2.039 1.00 0.73 C ATOM 1502 CD ARG A 89 7.961 4.118 -2.542 1.00 0.78 C ATOM 1503 NE ARG A 89 8.345 4.299 -3.968 1.00 1.11 N ATOM 1504 CZ ARG A 89 9.299 5.129 -4.281 1.00 1.16 C ATOM 1505 NH1 ARG A 89 9.234 6.372 -3.891 1.00 1.43 N ATOM 1506 NH2 ARG A 89 10.322 4.715 -4.978 1.00 1.58 N ATOM 0 H ARG A 89 8.094 1.855 1.625 1.00 0.28 H new ATOM 0 HA ARG A 89 9.383 0.675 -0.682 1.00 0.36 H new ATOM 0 HB2 ARG A 89 7.446 2.324 -0.536 1.00 0.47 H new ATOM 0 HB3 ARG A 89 8.568 3.549 0.023 1.00 0.47 H new ATOM 0 HG2 ARG A 89 9.900 3.264 -2.105 1.00 0.73 H new ATOM 0 HG3 ARG A 89 8.720 2.096 -2.666 1.00 0.73 H new ATOM 0 HD2 ARG A 89 6.905 3.868 -2.446 1.00 0.78 H new ATOM 0 HD3 ARG A 89 8.126 5.030 -1.969 1.00 0.78 H new ATOM 0 HE ARG A 89 7.863 3.775 -4.698 1.00 1.11 H new ATOM 0 HH11 ARG A 89 8.437 6.693 -3.342 1.00 1.43 H new ATOM 0 HH12 ARG A 89 9.980 7.023 -4.135 1.00 1.43 H new ATOM 0 HH21 ARG A 89 10.375 3.741 -5.278 1.00 1.58 H new ATOM 0 HH22 ARG A 89 11.069 5.365 -5.223 1.00 1.58 H new ATOM 1520 N GLU A 90 11.066 2.977 0.943 1.00 0.31 N ATOM 1521 CA GLU A 90 12.431 3.533 1.177 1.00 0.37 C ATOM 1522 C GLU A 90 13.376 2.419 1.653 1.00 0.32 C ATOM 1523 O GLU A 90 14.556 2.433 1.366 1.00 0.37 O ATOM 1524 CB GLU A 90 12.251 4.602 2.261 1.00 0.44 C ATOM 1525 CG GLU A 90 13.581 5.319 2.510 1.00 1.08 C ATOM 1526 CD GLU A 90 13.940 6.173 1.294 1.00 1.58 C ATOM 1527 OE1 GLU A 90 13.041 6.496 0.535 1.00 2.13 O ATOM 1528 OE2 GLU A 90 15.109 6.489 1.142 1.00 2.19 O ATOM 0 H GLU A 90 10.338 3.381 1.532 1.00 0.31 H new ATOM 0 HA GLU A 90 12.870 3.954 0.272 1.00 0.37 H new ATOM 0 HB2 GLU A 90 11.492 5.321 1.953 1.00 0.44 H new ATOM 0 HB3 GLU A 90 11.898 4.141 3.184 1.00 0.44 H new ATOM 0 HG2 GLU A 90 13.506 5.946 3.398 1.00 1.08 H new ATOM 0 HG3 GLU A 90 14.369 4.590 2.700 1.00 1.08 H new ATOM 1535 N GLN A 91 12.862 1.443 2.361 1.00 0.28 N ATOM 1536 CA GLN A 91 13.756 0.333 2.816 1.00 0.32 C ATOM 1537 C GLN A 91 14.348 -0.347 1.583 1.00 0.34 C ATOM 1538 O GLN A 91 15.509 -0.705 1.548 1.00 0.36 O ATOM 1539 CB GLN A 91 12.887 -0.650 3.607 1.00 0.42 C ATOM 1540 CG GLN A 91 12.411 0.001 4.908 1.00 1.14 C ATOM 1541 CD GLN A 91 11.566 -1.001 5.696 1.00 1.51 C ATOM 1542 OE1 GLN A 91 11.268 -2.075 5.211 1.00 1.87 O ATOM 1543 NE2 GLN A 91 11.160 -0.693 6.897 1.00 2.03 N ATOM 0 H GLN A 91 11.884 1.366 2.639 1.00 0.28 H new ATOM 0 HA GLN A 91 14.572 0.695 3.441 1.00 0.32 H new ATOM 0 HB2 GLN A 91 12.029 -0.953 3.007 1.00 0.42 H new ATOM 0 HB3 GLN A 91 13.455 -1.553 3.829 1.00 0.42 H new ATOM 0 HG2 GLN A 91 13.267 0.319 5.503 1.00 1.14 H new ATOM 0 HG3 GLN A 91 11.826 0.894 4.688 1.00 1.14 H new ATOM 0 HE21 GLN A 91 11.410 0.208 7.304 1.00 2.03 H new ATOM 0 HE22 GLN A 91 10.593 -1.353 7.429 1.00 2.03 H new ATOM 1552 N LYS A 92 13.553 -0.503 0.561 1.00 0.41 N ATOM 1553 CA LYS A 92 14.049 -1.129 -0.695 1.00 0.54 C ATOM 1554 C LYS A 92 15.119 -0.233 -1.323 1.00 0.57 C ATOM 1555 O LYS A 92 16.020 -0.688 -1.996 1.00 0.62 O ATOM 1556 CB LYS A 92 12.821 -1.214 -1.599 1.00 0.70 C ATOM 1557 CG LYS A 92 13.164 -2.007 -2.859 1.00 1.13 C ATOM 1558 CD LYS A 92 11.935 -2.064 -3.768 1.00 1.45 C ATOM 1559 CE LYS A 92 12.222 -2.974 -4.965 1.00 2.11 C ATOM 1560 NZ LYS A 92 10.913 -3.612 -5.283 1.00 2.72 N ATOM 0 H LYS A 92 12.573 -0.221 0.543 1.00 0.41 H new ATOM 0 HA LYS A 92 14.500 -2.108 -0.532 1.00 0.54 H new ATOM 0 HB2 LYS A 92 11.999 -1.694 -1.068 1.00 0.70 H new ATOM 0 HB3 LYS A 92 12.485 -0.212 -1.868 1.00 0.70 H new ATOM 0 HG2 LYS A 92 13.997 -1.538 -3.383 1.00 1.13 H new ATOM 0 HG3 LYS A 92 13.482 -3.015 -2.593 1.00 1.13 H new ATOM 0 HD2 LYS A 92 11.076 -2.439 -3.212 1.00 1.45 H new ATOM 0 HD3 LYS A 92 11.679 -1.062 -4.113 1.00 1.45 H new ATOM 0 HE2 LYS A 92 12.600 -2.404 -5.813 1.00 2.11 H new ATOM 0 HE3 LYS A 92 12.977 -3.721 -4.721 1.00 2.11 H new ATOM 0 HZ1 LYS A 92 11.031 -4.265 -6.084 1.00 2.72 H new ATOM 0 HZ2 LYS A 92 10.573 -4.139 -4.453 1.00 2.72 H new ATOM 0 HZ3 LYS A 92 10.221 -2.878 -5.534 1.00 2.72 H new ATOM 1574 N ARG A 93 15.019 1.045 -1.092 1.00 0.62 N ATOM 1575 CA ARG A 93 16.025 1.988 -1.652 1.00 0.78 C ATOM 1576 C ARG A 93 17.352 1.842 -0.900 1.00 0.73 C ATOM 1577 O ARG A 93 18.411 1.756 -1.489 1.00 0.85 O ATOM 1578 CB ARG A 93 15.422 3.372 -1.426 1.00 0.96 C ATOM 1579 CG ARG A 93 16.259 4.424 -2.150 1.00 1.56 C ATOM 1580 CD ARG A 93 15.653 5.806 -1.901 1.00 1.67 C ATOM 1581 NE ARG A 93 16.347 6.710 -2.856 1.00 2.21 N ATOM 1582 CZ ARG A 93 15.649 7.441 -3.679 1.00 2.58 C ATOM 1583 NH1 ARG A 93 14.715 6.891 -4.406 1.00 3.14 N ATOM 1584 NH2 ARG A 93 15.879 8.723 -3.771 1.00 2.90 N ATOM 0 H ARG A 93 14.281 1.479 -0.537 1.00 0.62 H new ATOM 0 HA ARG A 93 16.238 1.804 -2.705 1.00 0.78 H new ATOM 0 HB2 ARG A 93 14.395 3.396 -1.792 1.00 0.96 H new ATOM 0 HB3 ARG A 93 15.386 3.593 -0.359 1.00 0.96 H new ATOM 0 HG2 ARG A 93 17.289 4.395 -1.794 1.00 1.56 H new ATOM 0 HG3 ARG A 93 16.286 4.212 -3.219 1.00 1.56 H new ATOM 0 HD2 ARG A 93 14.577 5.802 -2.073 1.00 1.67 H new ATOM 0 HD3 ARG A 93 15.810 6.126 -0.871 1.00 1.67 H new ATOM 0 HE ARG A 93 17.366 6.758 -2.867 1.00 2.21 H new ATOM 0 HH11 ARG A 93 14.532 5.890 -4.330 1.00 3.14 H new ATOM 0 HH12 ARG A 93 14.168 7.462 -5.050 1.00 3.14 H new ATOM 0 HH21 ARG A 93 16.605 9.153 -3.199 1.00 2.90 H new ATOM 0 HH22 ARG A 93 15.332 9.294 -4.415 1.00 2.90 H new ATOM 1598 N GLU A 94 17.289 1.813 0.405 1.00 0.66 N ATOM 1599 CA GLU A 94 18.531 1.676 1.224 1.00 0.77 C ATOM 1600 C GLU A 94 19.258 0.374 0.891 1.00 0.80 C ATOM 1601 O GLU A 94 20.467 0.331 0.821 1.00 1.00 O ATOM 1602 CB GLU A 94 18.046 1.646 2.672 1.00 0.89 C ATOM 1603 CG GLU A 94 19.253 1.610 3.607 1.00 1.54 C ATOM 1604 CD GLU A 94 20.006 2.939 3.518 1.00 2.15 C ATOM 1605 OE1 GLU A 94 19.392 3.920 3.130 1.00 2.67 O ATOM 1606 OE2 GLU A 94 21.182 2.953 3.839 1.00 2.75 O ATOM 0 H GLU A 94 16.425 1.879 0.943 1.00 0.66 H new ATOM 0 HA GLU A 94 19.232 2.489 1.034 1.00 0.77 H new ATOM 0 HB2 GLU A 94 17.435 2.524 2.881 1.00 0.89 H new ATOM 0 HB3 GLU A 94 17.416 0.772 2.839 1.00 0.89 H new ATOM 0 HG2 GLU A 94 18.928 1.432 4.632 1.00 1.54 H new ATOM 0 HG3 GLU A 94 19.913 0.787 3.335 1.00 1.54 H new ATOM 1613 N GLN A 95 18.527 -0.685 0.685 1.00 0.82 N ATOM 1614 CA GLN A 95 19.166 -1.991 0.349 1.00 1.13 C ATOM 1615 C GLN A 95 18.529 -2.514 -0.941 1.00 1.95 C ATOM 1616 O GLN A 95 17.326 -2.465 -1.093 1.00 2.80 O ATOM 1617 CB GLN A 95 18.836 -2.907 1.534 1.00 2.24 C ATOM 1618 CG GLN A 95 19.265 -2.234 2.846 1.00 2.98 C ATOM 1619 CD GLN A 95 18.918 -3.130 4.046 1.00 4.30 C ATOM 1620 OE1 GLN A 95 18.706 -4.410 3.874 1.00 4.80 O flip ATOM 1621 NE2 GLN A 95 18.854 -2.657 5.165 1.00 5.17 N flip ATOM 0 H GLN A 95 17.508 -0.704 0.735 1.00 0.82 H new ATOM 0 HA GLN A 95 20.243 -1.926 0.191 1.00 1.13 H new ATOM 0 HB2 GLN A 95 17.767 -3.118 1.556 1.00 2.24 H new ATOM 0 HB3 GLN A 95 19.348 -3.863 1.420 1.00 2.24 H new ATOM 0 HG2 GLN A 95 20.337 -2.038 2.828 1.00 2.98 H new ATOM 0 HG3 GLN A 95 18.767 -1.270 2.948 1.00 2.98 H new ATOM 0 HE21 GLN A 95 19.018 -1.660 5.308 1.00 5.17 H new ATOM 0 HE22 GLN A 95 18.636 -3.257 5.961 1.00 5.17 H new ATOM 1630 N LYS A 96 19.300 -2.993 -1.882 1.00 2.35 N ATOM 1631 CA LYS A 96 18.666 -3.471 -3.151 1.00 3.63 C ATOM 1632 C LYS A 96 18.943 -4.951 -3.402 1.00 4.06 C ATOM 1633 O LYS A 96 19.188 -5.362 -4.521 1.00 4.45 O ATOM 1634 CB LYS A 96 19.279 -2.603 -4.251 1.00 4.38 C ATOM 1635 CG LYS A 96 18.217 -1.629 -4.772 1.00 5.32 C ATOM 1636 CD LYS A 96 18.892 -0.412 -5.408 1.00 6.30 C ATOM 1637 CE LYS A 96 18.598 0.834 -4.566 1.00 7.29 C ATOM 1638 NZ LYS A 96 19.934 1.338 -4.141 1.00 8.06 N ATOM 0 H LYS A 96 20.316 -3.074 -1.833 1.00 2.35 H new ATOM 0 HA LYS A 96 17.580 -3.382 -3.112 1.00 3.63 H new ATOM 0 HB2 LYS A 96 20.135 -2.052 -3.862 1.00 4.38 H new ATOM 0 HB3 LYS A 96 19.646 -3.230 -5.064 1.00 4.38 H new ATOM 0 HG2 LYS A 96 17.582 -2.128 -5.505 1.00 5.32 H new ATOM 0 HG3 LYS A 96 17.571 -1.311 -3.954 1.00 5.32 H new ATOM 0 HD2 LYS A 96 19.968 -0.573 -5.475 1.00 6.30 H new ATOM 0 HD3 LYS A 96 18.527 -0.271 -6.425 1.00 6.30 H new ATOM 0 HE2 LYS A 96 18.060 1.584 -5.146 1.00 7.29 H new ATOM 0 HE3 LYS A 96 17.976 0.590 -3.705 1.00 7.29 H new ATOM 0 HZ1 LYS A 96 19.821 1.984 -3.334 1.00 8.06 H new ATOM 0 HZ2 LYS A 96 20.535 0.536 -3.861 1.00 8.06 H new ATOM 0 HZ3 LYS A 96 20.381 1.846 -4.931 1.00 8.06 H new ATOM 1652 N LYS A 97 18.910 -5.768 -2.379 1.00 4.43 N ATOM 1653 CA LYS A 97 19.171 -7.223 -2.590 1.00 5.10 C ATOM 1654 C LYS A 97 20.490 -7.411 -3.354 1.00 4.69 C ATOM 1655 O LYS A 97 20.747 -8.443 -3.939 1.00 4.65 O ATOM 1656 CB LYS A 97 17.984 -7.696 -3.428 1.00 6.18 C ATOM 1657 CG LYS A 97 18.013 -9.217 -3.564 1.00 6.96 C ATOM 1658 CD LYS A 97 16.789 -9.665 -4.358 1.00 8.06 C ATOM 1659 CE LYS A 97 16.647 -11.183 -4.253 1.00 8.94 C ATOM 1660 NZ LYS A 97 17.580 -11.731 -5.279 1.00 9.87 N ATOM 0 H LYS A 97 18.716 -5.493 -1.416 1.00 4.43 H new ATOM 0 HA LYS A 97 19.267 -7.781 -1.659 1.00 5.10 H new ATOM 0 HB2 LYS A 97 17.051 -7.382 -2.961 1.00 6.18 H new ATOM 0 HB3 LYS A 97 18.018 -7.234 -4.415 1.00 6.18 H new ATOM 0 HG2 LYS A 97 18.926 -9.533 -4.068 1.00 6.96 H new ATOM 0 HG3 LYS A 97 18.015 -9.684 -2.579 1.00 6.96 H new ATOM 0 HD2 LYS A 97 15.893 -9.177 -3.974 1.00 8.06 H new ATOM 0 HD3 LYS A 97 16.890 -9.369 -5.402 1.00 8.06 H new ATOM 0 HE2 LYS A 97 16.907 -11.535 -3.255 1.00 8.94 H new ATOM 0 HE3 LYS A 97 15.621 -11.497 -4.445 1.00 8.94 H new ATOM 0 HZ1 LYS A 97 17.538 -12.770 -5.267 1.00 9.87 H new ATOM 0 HZ2 LYS A 97 17.304 -11.384 -6.220 1.00 9.87 H new ATOM 0 HZ3 LYS A 97 18.550 -11.421 -5.067 1.00 9.87 H new ATOM 1674 N ASP A 98 21.329 -6.415 -3.335 1.00 4.83 N ATOM 1675 CA ASP A 98 22.632 -6.502 -4.038 1.00 5.02 C ATOM 1676 C ASP A 98 23.698 -5.877 -3.148 1.00 4.17 C ATOM 1677 O ASP A 98 24.765 -6.423 -2.958 1.00 4.52 O ATOM 1678 CB ASP A 98 22.457 -5.678 -5.316 1.00 5.88 C ATOM 1679 CG ASP A 98 21.499 -6.387 -6.277 1.00 6.06 C ATOM 1680 OD1 ASP A 98 21.292 -7.576 -6.109 1.00 6.22 O ATOM 1681 OD2 ASP A 98 20.989 -5.727 -7.166 1.00 6.38 O ATOM 0 H ASP A 98 21.162 -5.531 -2.854 1.00 4.83 H new ATOM 0 HA ASP A 98 22.930 -7.526 -4.265 1.00 5.02 H new ATOM 0 HB2 ASP A 98 22.070 -4.689 -5.069 1.00 5.88 H new ATOM 0 HB3 ASP A 98 23.424 -5.531 -5.798 1.00 5.88 H new ATOM 1686 N LYS A 99 23.407 -4.734 -2.585 1.00 3.33 N ATOM 1687 CA LYS A 99 24.397 -4.085 -1.692 1.00 2.94 C ATOM 1688 C LYS A 99 24.661 -4.982 -0.487 1.00 2.75 C ATOM 1689 O LYS A 99 25.752 -5.034 0.044 1.00 3.11 O ATOM 1690 CB LYS A 99 23.757 -2.777 -1.237 1.00 2.99 C ATOM 1691 CG LYS A 99 23.574 -1.844 -2.434 1.00 4.01 C ATOM 1692 CD LYS A 99 23.497 -0.398 -1.935 1.00 4.80 C ATOM 1693 CE LYS A 99 22.343 -0.257 -0.940 1.00 5.65 C ATOM 1694 NZ LYS A 99 22.977 0.206 0.328 1.00 6.52 N ATOM 0 H LYS A 99 22.530 -4.228 -2.707 1.00 3.33 H new ATOM 0 HA LYS A 99 25.347 -3.910 -2.197 1.00 2.94 H new ATOM 0 HB2 LYS A 99 22.793 -2.977 -0.770 1.00 2.99 H new ATOM 0 HB3 LYS A 99 24.383 -2.298 -0.484 1.00 2.99 H new ATOM 0 HG2 LYS A 99 24.405 -1.958 -3.130 1.00 4.01 H new ATOM 0 HG3 LYS A 99 22.665 -2.103 -2.977 1.00 4.01 H new ATOM 0 HD2 LYS A 99 24.437 -0.117 -1.459 1.00 4.80 H new ATOM 0 HD3 LYS A 99 23.350 0.280 -2.776 1.00 4.80 H new ATOM 0 HE2 LYS A 99 21.602 0.459 -1.295 1.00 5.65 H new ATOM 0 HE3 LYS A 99 21.826 -1.206 -0.799 1.00 5.65 H new ATOM 0 HZ1 LYS A 99 22.239 0.406 1.032 1.00 6.52 H new ATOM 0 HZ2 LYS A 99 23.610 -0.536 0.691 1.00 6.52 H new ATOM 0 HZ3 LYS A 99 23.526 1.071 0.146 1.00 6.52 H new ATOM 1708 N LYS A 100 23.652 -5.679 -0.049 1.00 2.97 N ATOM 1709 CA LYS A 100 23.806 -6.567 1.128 1.00 3.59 C ATOM 1710 C LYS A 100 24.066 -8.012 0.671 1.00 3.89 C ATOM 1711 O LYS A 100 24.619 -8.819 1.393 1.00 4.30 O ATOM 1712 CB LYS A 100 22.458 -6.443 1.849 1.00 4.26 C ATOM 1713 CG LYS A 100 21.373 -7.173 1.051 1.00 4.83 C ATOM 1714 CD LYS A 100 20.007 -6.911 1.680 1.00 5.90 C ATOM 1715 CE LYS A 100 19.505 -8.195 2.339 1.00 6.81 C ATOM 1716 NZ LYS A 100 18.836 -8.952 1.245 1.00 7.73 N ATOM 0 H LYS A 100 22.719 -5.669 -0.462 1.00 2.97 H new ATOM 0 HA LYS A 100 24.646 -6.299 1.769 1.00 3.59 H new ATOM 0 HB2 LYS A 100 22.531 -6.865 2.851 1.00 4.26 H new ATOM 0 HB3 LYS A 100 22.192 -5.392 1.964 1.00 4.26 H new ATOM 0 HG2 LYS A 100 21.379 -6.832 0.016 1.00 4.83 H new ATOM 0 HG3 LYS A 100 21.578 -8.244 1.036 1.00 4.83 H new ATOM 0 HD2 LYS A 100 20.080 -6.113 2.419 1.00 5.90 H new ATOM 0 HD3 LYS A 100 19.301 -6.578 0.920 1.00 5.90 H new ATOM 0 HE2 LYS A 100 20.328 -8.766 2.769 1.00 6.81 H new ATOM 0 HE3 LYS A 100 18.811 -7.977 3.150 1.00 6.81 H new ATOM 0 HZ1 LYS A 100 18.464 -9.848 1.620 1.00 7.73 H new ATOM 0 HZ2 LYS A 100 18.053 -8.386 0.860 1.00 7.73 H new ATOM 0 HZ3 LYS A 100 19.523 -9.151 0.490 1.00 7.73 H new ATOM 1730 N LYS A 101 23.650 -8.339 -0.523 1.00 4.18 N ATOM 1731 CA LYS A 101 23.846 -9.727 -1.039 1.00 4.84 C ATOM 1732 C LYS A 101 25.330 -10.102 -1.015 1.00 5.10 C ATOM 1733 O LYS A 101 25.710 -11.163 -0.560 1.00 5.42 O ATOM 1734 CB LYS A 101 23.347 -9.671 -2.482 1.00 5.30 C ATOM 1735 CG LYS A 101 23.333 -11.080 -3.073 1.00 5.86 C ATOM 1736 CD LYS A 101 24.220 -11.122 -4.316 1.00 6.74 C ATOM 1737 CE LYS A 101 23.499 -10.451 -5.480 1.00 7.47 C ATOM 1738 NZ LYS A 101 24.574 -9.798 -6.275 1.00 8.10 N ATOM 0 H LYS A 101 23.181 -7.702 -1.167 1.00 4.18 H new ATOM 0 HA LYS A 101 23.319 -10.469 -0.439 1.00 4.84 H new ATOM 0 HB2 LYS A 101 22.346 -9.242 -2.515 1.00 5.30 H new ATOM 0 HB3 LYS A 101 23.992 -9.023 -3.076 1.00 5.30 H new ATOM 0 HG2 LYS A 101 23.689 -11.799 -2.335 1.00 5.86 H new ATOM 0 HG3 LYS A 101 22.314 -11.367 -3.331 1.00 5.86 H new ATOM 0 HD2 LYS A 101 25.164 -10.615 -4.119 1.00 6.74 H new ATOM 0 HD3 LYS A 101 24.460 -12.155 -4.570 1.00 6.74 H new ATOM 0 HE2 LYS A 101 22.953 -11.180 -6.079 1.00 7.47 H new ATOM 0 HE3 LYS A 101 22.772 -9.721 -5.125 1.00 7.47 H new ATOM 0 HZ1 LYS A 101 24.155 -9.314 -7.095 1.00 8.10 H new ATOM 0 HZ2 LYS A 101 25.072 -9.104 -5.681 1.00 8.10 H new ATOM 0 HZ3 LYS A 101 25.248 -10.518 -6.605 1.00 8.10 H new ATOM 1752 N LYS A 102 26.169 -9.228 -1.496 1.00 5.39 N ATOM 1753 CA LYS A 102 27.629 -9.517 -1.499 1.00 6.05 C ATOM 1754 C LYS A 102 28.274 -8.797 -0.313 1.00 6.35 C ATOM 1755 O LYS A 102 28.311 -7.585 -0.260 1.00 6.38 O ATOM 1756 CB LYS A 102 28.137 -8.946 -2.826 1.00 6.60 C ATOM 1757 CG LYS A 102 29.466 -9.601 -3.195 1.00 7.30 C ATOM 1758 CD LYS A 102 29.194 -10.998 -3.754 1.00 8.23 C ATOM 1759 CE LYS A 102 30.446 -11.538 -4.446 1.00 9.23 C ATOM 1760 NZ LYS A 102 30.459 -12.985 -4.108 1.00 10.03 N ATOM 0 H LYS A 102 25.905 -8.324 -1.888 1.00 5.39 H new ATOM 0 HA LYS A 102 27.862 -10.578 -1.408 1.00 6.05 H new ATOM 0 HB2 LYS A 102 27.403 -9.122 -3.613 1.00 6.60 H new ATOM 0 HB3 LYS A 102 28.263 -7.867 -2.743 1.00 6.60 H new ATOM 0 HG2 LYS A 102 29.992 -8.996 -3.933 1.00 7.30 H new ATOM 0 HG3 LYS A 102 30.110 -9.665 -2.318 1.00 7.30 H new ATOM 0 HD2 LYS A 102 28.896 -11.669 -2.949 1.00 8.23 H new ATOM 0 HD3 LYS A 102 28.365 -10.961 -4.461 1.00 8.23 H new ATOM 0 HE2 LYS A 102 30.403 -11.382 -5.524 1.00 9.23 H new ATOM 0 HE3 LYS A 102 31.346 -11.038 -4.087 1.00 9.23 H new ATOM 0 HZ1 LYS A 102 31.288 -13.436 -4.544 1.00 10.03 H new ATOM 0 HZ2 LYS A 102 30.505 -13.100 -3.075 1.00 10.03 H new ATOM 0 HZ3 LYS A 102 29.592 -13.433 -4.468 1.00 10.03 H new ATOM 1774 N LYS A 103 28.754 -9.525 0.654 1.00 6.93 N ATOM 1775 CA LYS A 103 29.356 -8.859 1.846 1.00 7.58 C ATOM 1776 C LYS A 103 30.871 -8.963 1.797 1.00 8.33 C ATOM 1777 O LYS A 103 31.432 -10.013 2.034 1.00 8.72 O ATOM 1778 CB LYS A 103 28.841 -9.650 3.046 1.00 8.13 C ATOM 1779 CG LYS A 103 27.334 -9.864 2.932 1.00 8.33 C ATOM 1780 CD LYS A 103 26.836 -10.556 4.197 1.00 8.99 C ATOM 1781 CE LYS A 103 25.380 -10.976 4.005 1.00 9.50 C ATOM 1782 NZ LYS A 103 25.442 -12.423 3.646 1.00 10.25 N ATOM 0 H LYS A 103 28.757 -10.545 0.674 1.00 6.93 H new ATOM 0 HA LYS A 103 29.094 -7.802 1.892 1.00 7.58 H new ATOM 0 HB2 LYS A 103 29.349 -10.613 3.101 1.00 8.13 H new ATOM 0 HB3 LYS A 103 29.071 -9.116 3.968 1.00 8.13 H new ATOM 0 HG2 LYS A 103 26.826 -8.908 2.800 1.00 8.33 H new ATOM 0 HG3 LYS A 103 27.105 -10.470 2.056 1.00 8.33 H new ATOM 0 HD2 LYS A 103 27.452 -11.428 4.414 1.00 8.99 H new ATOM 0 HD3 LYS A 103 26.923 -9.884 5.051 1.00 8.99 H new ATOM 0 HE2 LYS A 103 24.800 -10.819 4.915 1.00 9.50 H new ATOM 0 HE3 LYS A 103 24.901 -10.394 3.218 1.00 9.50 H new ATOM 0 HZ1 LYS A 103 24.479 -12.785 3.498 1.00 10.25 H new ATOM 0 HZ2 LYS A 103 25.994 -12.541 2.773 1.00 10.25 H new ATOM 0 HZ3 LYS A 103 25.896 -12.953 4.417 1.00 10.25 H new ATOM 1796 N LYS A 104 31.546 -7.896 1.494 1.00 8.77 N ATOM 1797 CA LYS A 104 33.030 -7.961 1.429 1.00 9.67 C ATOM 1798 C LYS A 104 33.603 -6.568 1.166 1.00 10.42 C ATOM 1799 O LYS A 104 33.017 -5.611 1.640 1.00 10.70 O ATOM 1800 CB LYS A 104 33.325 -8.894 0.254 1.00 9.93 C ATOM 1801 CG LYS A 104 32.730 -8.297 -1.020 1.00 10.29 C ATOM 1802 CD LYS A 104 32.834 -9.312 -2.155 1.00 10.72 C ATOM 1803 CE LYS A 104 34.300 -9.470 -2.553 1.00 11.26 C ATOM 1804 NZ LYS A 104 34.416 -10.860 -3.075 1.00 11.72 N ATOM 1805 OXT LYS A 104 34.617 -6.484 0.492 1.00 10.89 O ATOM 0 H LYS A 104 31.138 -6.984 1.289 1.00 8.77 H new ATOM 0 HA LYS A 104 33.476 -8.318 2.358 1.00 9.67 H new ATOM 0 HB2 LYS A 104 34.401 -9.027 0.140 1.00 9.93 H new ATOM 0 HB3 LYS A 104 32.900 -9.880 0.441 1.00 9.93 H new ATOM 0 HG2 LYS A 104 31.687 -8.026 -0.855 1.00 10.29 H new ATOM 0 HG3 LYS A 104 33.259 -7.382 -1.287 1.00 10.29 H new ATOM 0 HD2 LYS A 104 32.425 -10.272 -1.840 1.00 10.72 H new ATOM 0 HD3 LYS A 104 32.246 -8.980 -3.011 1.00 10.72 H new ATOM 0 HE2 LYS A 104 34.583 -8.740 -3.311 1.00 11.26 H new ATOM 0 HE3 LYS A 104 34.959 -9.314 -1.699 1.00 11.26 H new ATOM 0 HZ1 LYS A 104 35.398 -11.040 -3.368 1.00 11.72 H new ATOM 0 HZ2 LYS A 104 34.148 -11.534 -2.330 1.00 11.72 H new ATOM 0 HZ3 LYS A 104 33.784 -10.978 -3.892 1.00 11.72 H new TER 1819 LYS A 104 END