USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 697 hydrogens (0 hets) HEADER RNA BINDING PROTEIN 26-OCT-99 1D8Z TITLE SOLUTION STRUCTURE OF THE FIRST RNA-BINDING DOMAIN (RBD1) TITLE 2 OF HU ANTIGEN C (HUC) COMPND MOL_ID: 1; COMPND 2 MOLECULE: HU ANTIGEN C; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: FIRST RNA-BINDING DOMAIN (RBD1); COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 4 ORGANISM_TAXID: 10090; 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_PLASMID: PK7 KEYWDS RNA-BINDING DOMAIN, RIKEN STRUCTURAL GENOMICS/PROTEOMICS KEYWDS 2 INITIATIVE, RSGI, STRUCTURAL GENOMICS, RNA BINDING PROTEIN EXPDTA SOLUTION NMR AUTHOR M.INOUE,Y.MUTO,H.SAKAMOTO,S.YOKOYAMA,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) REVDAT 2 24-FEB-09 1D8Z 1 VERSN REVDAT 1 07-APR-00 1D8Z 0 JRNL AUTH M.INOUE,Y.MUTO,H.SAKAMOTO,S.YOKOYAMA JRNL TITL NMR STUDIES ON FUNCTIONAL STRUCTURES OF THE JRNL TITL 2 AU-RICH ELEMENT-BINDING DOMAINS OF HU ANTIGEN C. JRNL REF NUCLEIC ACIDS RES. V. 28 1743 2000 JRNL REFN ISSN 0305-1048 JRNL PMID 10734193 JRNL DOI 10.1093/NAR/28.8.1743 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1D8Z COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-NOV-99. REMARK 100 THE RCSB ID CODE IS RCSB009903. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 3.6 REMARK 210 IONIC STRENGTH : 20 MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 2MM PROTEIN; 20 MM POTASSIUM REMARK 210 OXALATE BUFFER; 90% H2O; 10% REMARK 210 D2O; 2MM PROTEIN U-15N; 20 MM REMARK 210 POTASSIUM OXALATE BUFFER; 90% REMARK 210 H2O; 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 3D_15N-SEPARATED_ REMARK 210 NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.1 REMARK 210 METHOD USED : DISTANCE GEOMETRY AND REMARK 210 SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D REMARK 210 HOMONUCLEAR AND 15N-SEPARATED HETERONUCLEAR TECHNIQUES. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 2 -48.80 -159.07 REMARK 500 LYS A 3 89.79 61.75 REMARK 500 THR A 4 71.48 -118.40 REMARK 500 THR A 16 -154.79 -157.89 REMARK 500 SER A 26 42.64 -90.02 REMARK 500 ILE A 27 -39.08 -141.20 REMARK 500 ILE A 30 90.49 -55.11 REMARK 500 GLU A 31 -29.66 -37.11 REMARK 500 SER A 32 115.70 -172.65 REMARK 500 LYS A 34 71.36 -175.41 REMARK 500 ASP A 38 161.83 -43.71 REMARK 500 ILE A 40 -91.65 -111.72 REMARK 500 TYR A 47 143.56 -179.09 REMARK 500 THR A 64 -31.58 -133.29 REMARK 500 THR A 72 21.42 -154.56 REMARK 500 SER A 83 161.05 -48.70 REMARK 500 ALA A 85 62.82 67.58 REMARK 500 ILE A 87 -62.70 -142.90 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 37 0.32 SIDE_CHAIN REMARK 500 ARG A 81 0.30 SIDE_CHAIN REMARK 500 ARG A 88 0.32 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1D9A RELATED DB: PDB REMARK 900 SECOND RNA-BINDING DOMAIN (RBD1) OF HUC REMARK 900 RELATED ID: TRT001000201.1 RELATED DB: TARGETDB DBREF 1D8Z A 1 88 UNP Q60900 ELAV3_MOUSE 36 123 SEQADV 1D8Z MET A 0 UNP Q60900 ASP 35 CONFLICT SEQRES 1 A 89 MET ASP SER LYS THR ASN LEU ILE VAL ASN TYR LEU PRO SEQRES 2 A 89 GLN ASN MET THR GLN ASP GLU PHE LYS SER LEU PHE GLY SEQRES 3 A 89 SER ILE GLY ASP ILE GLU SER CYS LYS LEU VAL ARG ASP SEQRES 4 A 89 LYS ILE THR GLY GLN SER LEU GLY TYR GLY PHE VAL ASN SEQRES 5 A 89 TYR SER ASP PRO ASN ASP ALA ASP LYS ALA ILE ASN THR SEQRES 6 A 89 LEU ASN GLY LEU LYS LEU GLN THR LYS THR ILE LYS VAL SEQRES 7 A 89 SER TYR ALA ARG PRO SER SER ALA SER ILE ARG HELIX 1 1 THR A 16 SER A 26 1 11 HELIX 2 2 ASP A 54 ASN A 66 1 13 SHEET 1 A 5 SER A 32 LEU A 35 0 SHEET 2 A 5 TYR A 47 ASN A 51 -1 O PHE A 49 N LYS A 34 SHEET 3 A 5 LEU A 6 ASN A 9 -1 N LEU A 6 O VAL A 50 SHEET 4 A 5 THR A 74 SER A 78 -1 N LYS A 76 O ASN A 9 SHEET 5 A 5 LEU A 68 LYS A 69 -1 O LEU A 68 N ILE A 75 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 GLN : amide:sc= -2.08! K(o=0.15!,f=1.2) USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= 1.06 USER MOD Set 1.3: A 73 LYS NZ :NH3+ -172:sc= 1.17 (180deg=0) USER MOD Set 2.1: A 63 ASN : amide:sc= -4.48! C(o=-4.3!,f=-7.9!) USER MOD Set 2.2: A 64 THR OG1 : rot 69:sc= 0.137 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 152:sc= 0.0123 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 66:sc= 0.0986 USER MOD Single : A 5 ASN : amide:sc= -2.19 X(o=-2.2,f=-2.1!) USER MOD Single : A 9 ASN : amide:sc= -1.95 K(o=-2,f=-1) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -9.56! C(o=-9.6!,f=-7.2!) USER MOD Single : A 15 MET CE :methyl -139:sc= -5.88! (180deg=-9.61!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.214 USER MOD Single : A 17 GLN : amide:sc= -0.354 X(o=-0.35,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.251 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 180:sc= -6.55! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -147:sc= -0.133 (180deg=-0.79) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0.342 X(o=0.34,f=0.17) USER MOD Single : A 52 TYR OH : rot -80:sc= -0.496 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.024) USER MOD Single : A 60 LYS NZ :NH3+ 156:sc= -0.75 (180deg=-1.48) USER MOD Single : A 66 ASN : amide:sc= -0.624 K(o=-0.62,f=-1.2!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.764 K(o=-0.76,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -14:sc= 0.728 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.56 USER MOD Single : A 83 SER OG : rot 180:sc= -0.0495 USER MOD Single : A 84 SER OG : rot 180:sc= 0.102 USER MOD Single : A 86 SER OG : rot 180:sc= 0.0947 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -16.401 8.081 12.109 1.00 6.16 N ATOM 2 CA MET A 0 -16.623 9.249 11.210 1.00 5.30 C ATOM 3 C MET A 0 -16.406 8.820 9.757 1.00 4.63 C ATOM 4 O MET A 0 -15.594 7.964 9.467 1.00 4.95 O ATOM 5 CB MET A 0 -15.635 10.363 11.566 1.00 5.60 C ATOM 6 CG MET A 0 -16.407 11.608 12.010 1.00 5.91 C ATOM 7 SD MET A 0 -17.045 12.473 10.554 1.00 6.62 S ATOM 8 CE MET A 0 -17.080 14.134 11.272 1.00 7.14 C ATOM 0 H1 MET A 0 -16.079 8.415 13.040 1.00 6.16 H new ATOM 0 H2 MET A 0 -17.291 7.554 12.219 1.00 6.16 H new ATOM 0 H3 MET A 0 -15.678 7.458 11.696 1.00 6.16 H new ATOM 0 HA MET A 0 -17.642 9.615 11.334 1.00 5.30 H new ATOM 0 HB2 MET A 0 -14.969 10.032 12.363 1.00 5.60 H new ATOM 0 HB3 MET A 0 -15.010 10.598 10.705 1.00 5.60 H new ATOM 0 HG2 MET A 0 -17.229 11.324 12.667 1.00 5.91 H new ATOM 0 HG3 MET A 0 -15.755 12.268 12.582 1.00 5.91 H new ATOM 0 HE1 MET A 0 -17.450 14.843 10.531 1.00 7.14 H new ATOM 0 HE2 MET A 0 -17.738 14.141 12.141 1.00 7.14 H new ATOM 0 HE3 MET A 0 -16.073 14.420 11.577 1.00 7.14 H new ATOM 20 N ASP A 1 -17.125 9.409 8.840 1.00 4.08 N ATOM 21 CA ASP A 1 -16.959 9.033 7.408 1.00 3.72 C ATOM 22 C ASP A 1 -15.586 9.496 6.916 1.00 2.94 C ATOM 23 O ASP A 1 -15.270 10.669 6.940 1.00 3.20 O ATOM 24 CB ASP A 1 -18.053 9.703 6.573 1.00 4.55 C ATOM 25 CG ASP A 1 -17.956 11.223 6.726 1.00 4.94 C ATOM 26 OD1 ASP A 1 -17.205 11.827 5.978 1.00 5.46 O ATOM 27 OD2 ASP A 1 -18.636 11.756 7.587 1.00 5.13 O ATOM 0 H ASP A 1 -17.820 10.134 9.021 1.00 4.08 H new ATOM 0 HA ASP A 1 -17.037 7.951 7.305 1.00 3.72 H new ATOM 0 HB2 ASP A 1 -17.946 9.425 5.524 1.00 4.55 H new ATOM 0 HB3 ASP A 1 -19.035 9.357 6.896 1.00 4.55 H new ATOM 32 N SER A 2 -14.766 8.583 6.471 1.00 2.61 N ATOM 33 CA SER A 2 -13.415 8.971 5.979 1.00 2.36 C ATOM 34 C SER A 2 -12.869 7.877 5.063 1.00 2.04 C ATOM 35 O SER A 2 -12.398 8.139 3.975 1.00 2.79 O ATOM 36 CB SER A 2 -12.473 9.155 7.170 1.00 3.00 C ATOM 37 OG SER A 2 -11.237 9.690 6.714 1.00 3.49 O ATOM 0 H SER A 2 -14.974 7.585 6.427 1.00 2.61 H new ATOM 0 HA SER A 2 -13.487 9.906 5.423 1.00 2.36 H new ATOM 0 HB2 SER A 2 -12.923 9.823 7.904 1.00 3.00 H new ATOM 0 HB3 SER A 2 -12.307 8.200 7.668 1.00 3.00 H new ATOM 0 HG SER A 2 -10.632 9.810 7.475 1.00 3.49 H new ATOM 43 N LYS A 3 -12.930 6.651 5.497 1.00 1.54 N ATOM 44 CA LYS A 3 -12.415 5.534 4.656 1.00 1.67 C ATOM 45 C LYS A 3 -10.917 5.728 4.411 1.00 1.57 C ATOM 46 O LYS A 3 -10.511 6.352 3.451 1.00 2.41 O ATOM 47 CB LYS A 3 -13.153 5.525 3.316 1.00 2.19 C ATOM 48 CG LYS A 3 -13.805 4.157 3.101 1.00 2.36 C ATOM 49 CD LYS A 3 -14.702 4.208 1.864 1.00 2.83 C ATOM 50 CE LYS A 3 -14.931 2.788 1.342 1.00 3.33 C ATOM 51 NZ LYS A 3 -16.373 2.606 1.012 1.00 3.89 N ATOM 0 H LYS A 3 -13.315 6.372 6.400 1.00 1.54 H new ATOM 0 HA LYS A 3 -12.579 4.587 5.169 1.00 1.67 H new ATOM 0 HB2 LYS A 3 -13.912 6.308 3.301 1.00 2.19 H new ATOM 0 HB3 LYS A 3 -12.458 5.740 2.504 1.00 2.19 H new ATOM 0 HG2 LYS A 3 -13.038 3.393 2.976 1.00 2.36 H new ATOM 0 HG3 LYS A 3 -14.391 3.880 3.977 1.00 2.36 H new ATOM 0 HD2 LYS A 3 -15.656 4.674 2.112 1.00 2.83 H new ATOM 0 HD3 LYS A 3 -14.239 4.821 1.091 1.00 2.83 H new ATOM 0 HE2 LYS A 3 -14.319 2.611 0.457 1.00 3.33 H new ATOM 0 HE3 LYS A 3 -14.624 2.059 2.092 1.00 3.33 H new ATOM 0 HZ1 LYS A 3 -16.529 1.641 0.657 1.00 3.89 H new ATOM 0 HZ2 LYS A 3 -16.946 2.758 1.866 1.00 3.89 H new ATOM 0 HZ3 LYS A 3 -16.651 3.292 0.282 1.00 3.89 H new ATOM 65 N THR A 4 -10.091 5.198 5.271 1.00 0.88 N ATOM 66 CA THR A 4 -8.621 5.352 5.086 1.00 0.88 C ATOM 67 C THR A 4 -7.983 3.973 4.911 1.00 0.99 C ATOM 68 O THR A 4 -7.295 3.481 5.783 1.00 1.93 O ATOM 69 CB THR A 4 -8.020 6.038 6.315 1.00 0.99 C ATOM 70 OG1 THR A 4 -8.527 5.425 7.492 1.00 1.33 O ATOM 71 CG2 THR A 4 -8.393 7.521 6.308 1.00 1.02 C ATOM 0 H THR A 4 -10.371 4.665 6.094 1.00 0.88 H new ATOM 0 HA THR A 4 -8.428 5.958 4.201 1.00 0.88 H new ATOM 0 HB THR A 4 -6.935 5.940 6.292 1.00 0.99 H new ATOM 0 HG1 THR A 4 -8.210 4.499 7.541 1.00 1.33 H new ATOM 0 HG21 THR A 4 -7.964 8.008 7.184 1.00 1.02 H new ATOM 0 HG22 THR A 4 -8.003 7.990 5.405 1.00 1.02 H new ATOM 0 HG23 THR A 4 -9.478 7.623 6.331 1.00 1.02 H new ATOM 79 N ASN A 5 -8.207 3.345 3.790 1.00 0.54 N ATOM 80 CA ASN A 5 -7.615 1.997 3.560 1.00 0.56 C ATOM 81 C ASN A 5 -6.805 2.003 2.261 1.00 0.50 C ATOM 82 O ASN A 5 -7.343 2.144 1.180 1.00 0.73 O ATOM 83 CB ASN A 5 -8.737 0.960 3.467 1.00 0.75 C ATOM 84 CG ASN A 5 -9.916 1.550 2.691 1.00 0.82 C ATOM 85 OD1 ASN A 5 -9.731 2.182 1.671 1.00 1.24 O ATOM 86 ND2 ASN A 5 -11.129 1.370 3.137 1.00 1.28 N ATOM 0 H ASN A 5 -8.774 3.707 3.023 1.00 0.54 H new ATOM 0 HA ASN A 5 -6.955 1.743 4.389 1.00 0.56 H new ATOM 0 HB2 ASN A 5 -8.375 0.060 2.970 1.00 0.75 H new ATOM 0 HB3 ASN A 5 -9.057 0.665 4.466 1.00 0.75 H new ATOM 0 HD21 ASN A 5 -11.922 1.760 2.629 1.00 1.28 H new ATOM 0 HD22 ASN A 5 -11.284 0.839 3.994 1.00 1.28 H new ATOM 93 N LEU A 6 -5.512 1.845 2.362 1.00 0.39 N ATOM 94 CA LEU A 6 -4.655 1.834 1.141 1.00 0.36 C ATOM 95 C LEU A 6 -3.641 0.693 1.244 1.00 0.40 C ATOM 96 O LEU A 6 -2.546 0.869 1.739 1.00 0.80 O ATOM 97 CB LEU A 6 -3.893 3.161 1.022 1.00 0.38 C ATOM 98 CG LEU A 6 -4.794 4.243 0.419 1.00 0.36 C ATOM 99 CD1 LEU A 6 -5.483 3.706 -0.836 1.00 0.40 C ATOM 100 CD2 LEU A 6 -5.849 4.658 1.442 1.00 0.39 C ATOM 0 H LEU A 6 -5.011 1.723 3.242 1.00 0.39 H new ATOM 0 HA LEU A 6 -5.289 1.697 0.265 1.00 0.36 H new ATOM 0 HB2 LEU A 6 -3.544 3.476 2.005 1.00 0.38 H new ATOM 0 HB3 LEU A 6 -3.010 3.025 0.398 1.00 0.38 H new ATOM 0 HG LEU A 6 -4.186 5.107 0.152 1.00 0.36 H new ATOM 0 HD11 LEU A 6 -6.122 4.481 -1.260 1.00 0.40 H new ATOM 0 HD12 LEU A 6 -4.730 3.416 -1.569 1.00 0.40 H new ATOM 0 HD13 LEU A 6 -6.089 2.838 -0.575 1.00 0.40 H new ATOM 0 HD21 LEU A 6 -6.490 5.428 1.012 1.00 0.39 H new ATOM 0 HD22 LEU A 6 -6.454 3.792 1.713 1.00 0.39 H new ATOM 0 HD23 LEU A 6 -5.358 5.050 2.332 1.00 0.39 H new ATOM 112 N ILE A 7 -3.989 -0.474 0.779 1.00 0.38 N ATOM 113 CA ILE A 7 -3.030 -1.612 0.854 1.00 0.40 C ATOM 114 C ILE A 7 -2.225 -1.681 -0.444 1.00 0.36 C ATOM 115 O ILE A 7 -2.774 -1.706 -1.527 1.00 0.43 O ATOM 116 CB ILE A 7 -3.792 -2.924 1.054 1.00 0.45 C ATOM 117 CG1 ILE A 7 -2.803 -4.090 1.021 1.00 0.48 C ATOM 118 CG2 ILE A 7 -4.823 -3.097 -0.064 1.00 0.46 C ATOM 119 CD1 ILE A 7 -3.561 -5.411 1.170 1.00 0.56 C ATOM 0 H ILE A 7 -4.890 -0.689 0.353 1.00 0.38 H new ATOM 0 HA ILE A 7 -2.356 -1.460 1.697 1.00 0.40 H new ATOM 0 HB ILE A 7 -4.305 -2.904 2.015 1.00 0.45 H new ATOM 0 HG12 ILE A 7 -2.247 -4.082 0.083 1.00 0.48 H new ATOM 0 HG13 ILE A 7 -2.074 -3.985 1.825 1.00 0.48 H new ATOM 0 HG21 ILE A 7 -5.364 -4.032 0.081 1.00 0.46 H new ATOM 0 HG22 ILE A 7 -5.526 -2.264 -0.043 1.00 0.46 H new ATOM 0 HG23 ILE A 7 -4.314 -3.118 -1.028 1.00 0.46 H new ATOM 0 HD11 ILE A 7 -2.854 -6.241 1.146 1.00 0.56 H new ATOM 0 HD12 ILE A 7 -4.097 -5.418 2.119 1.00 0.56 H new ATOM 0 HD13 ILE A 7 -4.272 -5.517 0.351 1.00 0.56 H new ATOM 131 N VAL A 8 -0.925 -1.710 -0.342 1.00 0.38 N ATOM 132 CA VAL A 8 -0.081 -1.773 -1.567 1.00 0.34 C ATOM 133 C VAL A 8 0.404 -3.208 -1.777 1.00 0.30 C ATOM 134 O VAL A 8 0.552 -3.965 -0.839 1.00 0.34 O ATOM 135 CB VAL A 8 1.124 -0.846 -1.400 1.00 0.37 C ATOM 136 CG1 VAL A 8 1.889 -0.758 -2.721 1.00 0.36 C ATOM 137 CG2 VAL A 8 0.639 0.548 -0.996 1.00 0.45 C ATOM 0 H VAL A 8 -0.410 -1.693 0.539 1.00 0.38 H new ATOM 0 HA VAL A 8 -0.666 -1.458 -2.431 1.00 0.34 H new ATOM 0 HB VAL A 8 1.783 -1.241 -0.627 1.00 0.37 H new ATOM 0 HG11 VAL A 8 2.747 -0.097 -2.601 1.00 0.36 H new ATOM 0 HG12 VAL A 8 2.233 -1.751 -3.009 1.00 0.36 H new ATOM 0 HG13 VAL A 8 1.232 -0.363 -3.496 1.00 0.36 H new ATOM 0 HG21 VAL A 8 1.496 1.211 -0.876 1.00 0.45 H new ATOM 0 HG22 VAL A 8 -0.020 0.943 -1.770 1.00 0.45 H new ATOM 0 HG23 VAL A 8 0.095 0.485 -0.054 1.00 0.45 H new ATOM 147 N ASN A 9 0.656 -3.591 -3.000 1.00 0.30 N ATOM 148 CA ASN A 9 1.132 -4.979 -3.254 1.00 0.29 C ATOM 149 C ASN A 9 2.117 -4.973 -4.422 1.00 0.30 C ATOM 150 O ASN A 9 2.360 -3.954 -5.038 1.00 0.35 O ATOM 151 CB ASN A 9 -0.058 -5.878 -3.600 1.00 0.36 C ATOM 152 CG ASN A 9 -1.312 -5.380 -2.878 1.00 0.87 C ATOM 153 OD1 ASN A 9 -2.091 -4.632 -3.435 1.00 1.96 O ATOM 154 ND2 ASN A 9 -1.541 -5.767 -1.653 1.00 0.43 N ATOM 0 H ASN A 9 0.553 -3.006 -3.829 1.00 0.30 H new ATOM 0 HA ASN A 9 1.625 -5.360 -2.360 1.00 0.29 H new ATOM 0 HB2 ASN A 9 -0.224 -5.879 -4.677 1.00 0.36 H new ATOM 0 HB3 ASN A 9 0.155 -6.907 -3.310 1.00 0.36 H new ATOM 0 HD21 ASN A 9 -2.374 -5.442 -1.163 1.00 0.43 H new ATOM 0 HD22 ASN A 9 -0.887 -6.395 -1.186 1.00 0.43 H new ATOM 161 N TYR A 10 2.684 -6.106 -4.734 1.00 0.29 N ATOM 162 CA TYR A 10 3.648 -6.168 -5.866 1.00 0.31 C ATOM 163 C TYR A 10 4.841 -5.252 -5.576 1.00 0.33 C ATOM 164 O TYR A 10 5.297 -4.524 -6.435 1.00 0.50 O ATOM 165 CB TYR A 10 2.948 -5.710 -7.147 1.00 0.41 C ATOM 166 CG TYR A 10 2.078 -6.826 -7.674 1.00 0.47 C ATOM 167 CD1 TYR A 10 2.623 -7.800 -8.521 1.00 1.28 C ATOM 168 CD2 TYR A 10 0.726 -6.886 -7.317 1.00 1.33 C ATOM 169 CE1 TYR A 10 1.814 -8.833 -9.010 1.00 1.32 C ATOM 170 CE2 TYR A 10 -0.082 -7.920 -7.806 1.00 1.40 C ATOM 171 CZ TYR A 10 0.462 -8.893 -8.653 1.00 0.73 C ATOM 172 OH TYR A 10 -0.334 -9.911 -9.134 1.00 0.88 O ATOM 0 H TYR A 10 2.521 -6.991 -4.253 1.00 0.29 H new ATOM 0 HA TYR A 10 4.004 -7.191 -5.989 1.00 0.31 H new ATOM 0 HB2 TYR A 10 2.342 -4.826 -6.947 1.00 0.41 H new ATOM 0 HB3 TYR A 10 3.687 -5.426 -7.896 1.00 0.41 H new ATOM 0 HD1 TYR A 10 3.666 -7.754 -8.797 1.00 1.28 H new ATOM 0 HD2 TYR A 10 0.306 -6.135 -6.664 1.00 1.33 H new ATOM 0 HE1 TYR A 10 2.234 -9.584 -9.663 1.00 1.32 H new ATOM 0 HE2 TYR A 10 -1.125 -7.967 -7.530 1.00 1.40 H new ATOM 0 HH TYR A 10 -1.245 -9.805 -8.789 1.00 0.88 H new ATOM 182 N LEU A 11 5.350 -5.282 -4.374 1.00 0.33 N ATOM 183 CA LEU A 11 6.513 -4.411 -4.036 1.00 0.40 C ATOM 184 C LEU A 11 7.805 -5.058 -4.556 1.00 0.46 C ATOM 185 O LEU A 11 7.985 -6.253 -4.435 1.00 0.54 O ATOM 186 CB LEU A 11 6.601 -4.246 -2.517 1.00 0.42 C ATOM 187 CG LEU A 11 5.262 -3.737 -1.981 1.00 0.41 C ATOM 188 CD1 LEU A 11 5.419 -3.334 -0.513 1.00 0.46 C ATOM 189 CD2 LEU A 11 4.816 -2.520 -2.796 1.00 0.56 C ATOM 0 H LEU A 11 5.012 -5.871 -3.613 1.00 0.33 H new ATOM 0 HA LEU A 11 6.383 -3.434 -4.501 1.00 0.40 H new ATOM 0 HB2 LEU A 11 6.853 -5.199 -2.051 1.00 0.42 H new ATOM 0 HB3 LEU A 11 7.397 -3.546 -2.262 1.00 0.42 H new ATOM 0 HG LEU A 11 4.515 -4.526 -2.064 1.00 0.41 H new ATOM 0 HD11 LEU A 11 4.465 -2.971 -0.131 1.00 0.46 H new ATOM 0 HD12 LEU A 11 5.738 -4.198 0.069 1.00 0.46 H new ATOM 0 HD13 LEU A 11 6.166 -2.545 -0.430 1.00 0.46 H new ATOM 0 HD21 LEU A 11 3.862 -2.157 -2.415 1.00 0.56 H new ATOM 0 HD22 LEU A 11 5.564 -1.732 -2.712 1.00 0.56 H new ATOM 0 HD23 LEU A 11 4.704 -2.804 -3.842 1.00 0.56 H new ATOM 201 N PRO A 12 8.667 -4.247 -5.122 1.00 0.49 N ATOM 202 CA PRO A 12 9.953 -4.714 -5.672 1.00 0.60 C ATOM 203 C PRO A 12 10.971 -4.926 -4.546 1.00 0.58 C ATOM 204 O PRO A 12 10.852 -4.367 -3.474 1.00 0.55 O ATOM 205 CB PRO A 12 10.386 -3.570 -6.593 1.00 0.70 C ATOM 206 CG PRO A 12 9.646 -2.305 -6.096 1.00 0.65 C ATOM 207 CD PRO A 12 8.442 -2.794 -5.268 1.00 0.51 C ATOM 0 HA PRO A 12 9.876 -5.668 -6.194 1.00 0.60 H new ATOM 0 HB2 PRO A 12 11.466 -3.428 -6.555 1.00 0.70 H new ATOM 0 HB3 PRO A 12 10.130 -3.788 -7.630 1.00 0.70 H new ATOM 0 HG2 PRO A 12 10.306 -1.684 -5.490 1.00 0.65 H new ATOM 0 HG3 PRO A 12 9.316 -1.694 -6.936 1.00 0.65 H new ATOM 0 HD2 PRO A 12 8.398 -2.299 -4.298 1.00 0.51 H new ATOM 0 HD3 PRO A 12 7.500 -2.586 -5.775 1.00 0.51 H new ATOM 215 N GLN A 13 11.969 -5.734 -4.781 1.00 0.71 N ATOM 216 CA GLN A 13 12.991 -5.990 -3.725 1.00 0.75 C ATOM 217 C GLN A 13 13.418 -4.670 -3.070 1.00 0.73 C ATOM 218 O GLN A 13 13.122 -4.422 -1.918 1.00 0.97 O ATOM 219 CB GLN A 13 14.218 -6.680 -4.336 1.00 0.89 C ATOM 220 CG GLN A 13 14.496 -6.131 -5.739 1.00 1.48 C ATOM 221 CD GLN A 13 14.543 -7.288 -6.738 1.00 1.89 C ATOM 222 OE1 GLN A 13 15.356 -8.182 -6.611 1.00 2.36 O ATOM 223 NE2 GLN A 13 13.700 -7.311 -7.734 1.00 2.54 N ATOM 0 H GLN A 13 12.121 -6.229 -5.660 1.00 0.71 H new ATOM 0 HA GLN A 13 12.553 -6.640 -2.967 1.00 0.75 H new ATOM 0 HB2 GLN A 13 15.087 -6.522 -3.698 1.00 0.89 H new ATOM 0 HB3 GLN A 13 14.051 -7.756 -4.386 1.00 0.89 H new ATOM 0 HG2 GLN A 13 13.719 -5.421 -6.024 1.00 1.48 H new ATOM 0 HG3 GLN A 13 15.442 -5.589 -5.749 1.00 1.48 H new ATOM 0 HE21 GLN A 13 13.017 -6.561 -7.842 1.00 2.54 H new ATOM 0 HE22 GLN A 13 13.724 -8.079 -8.405 1.00 2.54 H new ATOM 232 N ASN A 14 14.126 -3.834 -3.786 1.00 0.79 N ATOM 233 CA ASN A 14 14.590 -2.543 -3.196 1.00 0.78 C ATOM 234 C ASN A 14 13.508 -1.939 -2.295 1.00 0.68 C ATOM 235 O ASN A 14 13.775 -1.542 -1.178 1.00 0.73 O ATOM 236 CB ASN A 14 14.969 -1.553 -4.307 1.00 0.85 C ATOM 237 CG ASN A 14 13.729 -1.113 -5.080 1.00 0.92 C ATOM 238 OD1 ASN A 14 13.459 0.065 -5.205 1.00 1.18 O ATOM 239 ND2 ASN A 14 12.969 -2.016 -5.614 1.00 1.42 N ATOM 0 H ASN A 14 14.403 -3.990 -4.755 1.00 0.79 H new ATOM 0 HA ASN A 14 15.472 -2.743 -2.588 1.00 0.78 H new ATOM 0 HB2 ASN A 14 15.462 -0.683 -3.874 1.00 0.85 H new ATOM 0 HB3 ASN A 14 15.683 -2.017 -4.988 1.00 0.85 H new ATOM 0 HD21 ASN A 14 12.141 -1.739 -6.141 1.00 1.42 H new ATOM 0 HD22 ASN A 14 13.199 -3.004 -5.507 1.00 1.42 H new ATOM 246 N MET A 15 12.293 -1.869 -2.758 1.00 0.63 N ATOM 247 CA MET A 15 11.209 -1.295 -1.914 1.00 0.57 C ATOM 248 C MET A 15 11.244 -1.940 -0.527 1.00 0.56 C ATOM 249 O MET A 15 11.378 -3.140 -0.388 1.00 0.70 O ATOM 250 CB MET A 15 9.852 -1.563 -2.573 1.00 0.60 C ATOM 251 CG MET A 15 8.772 -0.733 -1.878 1.00 0.64 C ATOM 252 SD MET A 15 7.590 -0.128 -3.109 1.00 1.06 S ATOM 253 CE MET A 15 7.885 1.640 -2.860 1.00 0.89 C ATOM 0 H MET A 15 12.003 -2.184 -3.684 1.00 0.63 H new ATOM 0 HA MET A 15 11.357 -0.220 -1.815 1.00 0.57 H new ATOM 0 HB2 MET A 15 9.894 -1.310 -3.632 1.00 0.60 H new ATOM 0 HB3 MET A 15 9.608 -2.623 -2.508 1.00 0.60 H new ATOM 0 HG2 MET A 15 8.258 -1.338 -1.131 1.00 0.64 H new ATOM 0 HG3 MET A 15 9.226 0.106 -1.351 1.00 0.64 H new ATOM 0 HE1 MET A 15 6.935 2.174 -2.885 1.00 0.89 H new ATOM 0 HE2 MET A 15 8.364 1.796 -1.894 1.00 0.89 H new ATOM 0 HE3 MET A 15 8.533 2.016 -3.652 1.00 0.89 H new ATOM 263 N THR A 16 11.119 -1.146 0.499 1.00 0.52 N ATOM 264 CA THR A 16 11.136 -1.689 1.882 1.00 0.55 C ATOM 265 C THR A 16 10.440 -0.685 2.802 1.00 0.49 C ATOM 266 O THR A 16 9.617 0.088 2.366 1.00 0.45 O ATOM 267 CB THR A 16 12.584 -1.910 2.335 1.00 0.61 C ATOM 268 OG1 THR A 16 12.599 -2.763 3.471 1.00 0.68 O ATOM 269 CG2 THR A 16 13.228 -0.570 2.693 1.00 0.59 C ATOM 0 H THR A 16 11.005 -0.134 0.436 1.00 0.52 H new ATOM 0 HA THR A 16 10.615 -2.646 1.919 1.00 0.55 H new ATOM 0 HB THR A 16 13.147 -2.371 1.524 1.00 0.61 H new ATOM 0 HG1 THR A 16 13.524 -2.906 3.760 1.00 0.68 H new ATOM 0 HG21 THR A 16 14.257 -0.735 3.014 1.00 0.59 H new ATOM 0 HG22 THR A 16 13.220 0.082 1.820 1.00 0.59 H new ATOM 0 HG23 THR A 16 12.667 -0.101 3.501 1.00 0.59 H new ATOM 277 N GLN A 17 10.753 -0.681 4.064 1.00 0.52 N ATOM 278 CA GLN A 17 10.082 0.285 4.978 1.00 0.50 C ATOM 279 C GLN A 17 10.502 1.717 4.632 1.00 0.47 C ATOM 280 O GLN A 17 9.751 2.653 4.821 1.00 0.48 O ATOM 281 CB GLN A 17 10.467 -0.025 6.426 1.00 0.57 C ATOM 282 CG GLN A 17 9.898 1.059 7.344 1.00 1.55 C ATOM 283 CD GLN A 17 10.010 0.609 8.802 1.00 1.89 C ATOM 284 OE1 GLN A 17 9.137 0.882 9.602 1.00 2.27 O ATOM 285 NE2 GLN A 17 11.056 -0.070 9.185 1.00 2.51 N ATOM 0 H GLN A 17 11.438 -1.298 4.502 1.00 0.52 H new ATOM 0 HA GLN A 17 9.002 0.192 4.860 1.00 0.50 H new ATOM 0 HB2 GLN A 17 10.081 -1.002 6.716 1.00 0.57 H new ATOM 0 HB3 GLN A 17 11.552 -0.069 6.525 1.00 0.57 H new ATOM 0 HG2 GLN A 17 10.440 1.994 7.199 1.00 1.55 H new ATOM 0 HG3 GLN A 17 8.855 1.253 7.092 1.00 1.55 H new ATOM 0 HE21 GLN A 17 11.789 -0.299 8.514 1.00 2.51 H new ATOM 0 HE22 GLN A 17 11.141 -0.372 10.156 1.00 2.51 H new ATOM 294 N ASP A 18 11.694 1.902 4.132 1.00 0.47 N ATOM 295 CA ASP A 18 12.145 3.282 3.786 1.00 0.48 C ATOM 296 C ASP A 18 11.651 3.656 2.385 1.00 0.43 C ATOM 297 O ASP A 18 11.120 4.728 2.174 1.00 0.46 O ATOM 298 CB ASP A 18 13.674 3.353 3.829 1.00 0.56 C ATOM 299 CG ASP A 18 14.270 2.137 3.119 1.00 0.61 C ATOM 300 OD1 ASP A 18 14.309 2.146 1.900 1.00 1.26 O ATOM 301 OD2 ASP A 18 14.682 1.218 3.809 1.00 1.28 O ATOM 0 H ASP A 18 12.372 1.162 3.949 1.00 0.47 H new ATOM 0 HA ASP A 18 11.731 3.984 4.510 1.00 0.48 H new ATOM 0 HB2 ASP A 18 14.018 4.270 3.350 1.00 0.56 H new ATOM 0 HB3 ASP A 18 14.017 3.386 4.863 1.00 0.56 H new ATOM 306 N GLU A 19 11.819 2.787 1.424 1.00 0.42 N ATOM 307 CA GLU A 19 11.354 3.107 0.044 1.00 0.41 C ATOM 308 C GLU A 19 9.822 3.061 0.003 1.00 0.36 C ATOM 309 O GLU A 19 9.202 3.562 -0.914 1.00 0.41 O ATOM 310 CB GLU A 19 11.949 2.094 -0.947 1.00 0.48 C ATOM 311 CG GLU A 19 11.137 2.085 -2.248 1.00 0.57 C ATOM 312 CD GLU A 19 11.973 1.462 -3.371 1.00 0.80 C ATOM 313 OE1 GLU A 19 12.929 2.094 -3.790 1.00 1.59 O ATOM 314 OE2 GLU A 19 11.642 0.364 -3.795 1.00 0.67 O ATOM 0 H GLU A 19 12.257 1.872 1.535 1.00 0.42 H new ATOM 0 HA GLU A 19 11.686 4.106 -0.237 1.00 0.41 H new ATOM 0 HB2 GLU A 19 12.987 2.349 -1.160 1.00 0.48 H new ATOM 0 HB3 GLU A 19 11.950 1.098 -0.504 1.00 0.48 H new ATOM 0 HG2 GLU A 19 10.216 1.519 -2.110 1.00 0.57 H new ATOM 0 HG3 GLU A 19 10.849 3.102 -2.516 1.00 0.57 H new ATOM 321 N PHE A 20 9.206 2.477 0.996 1.00 0.34 N ATOM 322 CA PHE A 20 7.716 2.416 1.017 1.00 0.32 C ATOM 323 C PHE A 20 7.177 3.692 1.663 1.00 0.32 C ATOM 324 O PHE A 20 6.111 4.171 1.328 1.00 0.39 O ATOM 325 CB PHE A 20 7.256 1.207 1.837 1.00 0.35 C ATOM 326 CG PHE A 20 5.774 1.000 1.644 1.00 0.30 C ATOM 327 CD1 PHE A 20 5.229 1.009 0.355 1.00 1.19 C ATOM 328 CD2 PHE A 20 4.945 0.797 2.754 1.00 1.20 C ATOM 329 CE1 PHE A 20 3.855 0.814 0.175 1.00 1.17 C ATOM 330 CE2 PHE A 20 3.570 0.603 2.574 1.00 1.21 C ATOM 331 CZ PHE A 20 3.025 0.610 1.285 1.00 0.27 C ATOM 0 H PHE A 20 9.670 2.040 1.793 1.00 0.34 H new ATOM 0 HA PHE A 20 7.342 2.323 -0.003 1.00 0.32 H new ATOM 0 HB2 PHE A 20 7.801 0.316 1.527 1.00 0.35 H new ATOM 0 HB3 PHE A 20 7.477 1.365 2.893 1.00 0.35 H new ATOM 0 HD1 PHE A 20 5.869 1.166 -0.501 1.00 1.19 H new ATOM 0 HD2 PHE A 20 5.366 0.790 3.749 1.00 1.20 H new ATOM 0 HE1 PHE A 20 3.434 0.821 -0.820 1.00 1.17 H new ATOM 0 HE2 PHE A 20 2.930 0.448 3.430 1.00 1.21 H new ATOM 0 HZ PHE A 20 1.965 0.458 1.146 1.00 0.27 H new ATOM 341 N LYS A 21 7.909 4.243 2.591 1.00 0.39 N ATOM 342 CA LYS A 21 7.452 5.486 3.270 1.00 0.43 C ATOM 343 C LYS A 21 7.516 6.660 2.291 1.00 0.37 C ATOM 344 O LYS A 21 6.547 7.363 2.083 1.00 0.42 O ATOM 345 CB LYS A 21 8.366 5.769 4.462 1.00 0.54 C ATOM 346 CG LYS A 21 7.665 6.717 5.435 1.00 0.65 C ATOM 347 CD LYS A 21 8.688 7.273 6.426 1.00 0.97 C ATOM 348 CE LYS A 21 7.970 7.731 7.696 1.00 1.56 C ATOM 349 NZ LYS A 21 8.830 7.451 8.880 1.00 2.40 N ATOM 0 H LYS A 21 8.809 3.883 2.909 1.00 0.39 H new ATOM 0 HA LYS A 21 6.425 5.359 3.613 1.00 0.43 H new ATOM 0 HB2 LYS A 21 8.620 4.837 4.967 1.00 0.54 H new ATOM 0 HB3 LYS A 21 9.301 6.211 4.119 1.00 0.54 H new ATOM 0 HG2 LYS A 21 7.191 7.532 4.888 1.00 0.65 H new ATOM 0 HG3 LYS A 21 6.875 6.189 5.969 1.00 0.65 H new ATOM 0 HD2 LYS A 21 9.427 6.510 6.669 1.00 0.97 H new ATOM 0 HD3 LYS A 21 9.227 8.108 5.979 1.00 0.97 H new ATOM 0 HE2 LYS A 21 7.749 8.797 7.637 1.00 1.56 H new ATOM 0 HE3 LYS A 21 7.016 7.212 7.795 1.00 1.56 H new ATOM 0 HZ1 LYS A 21 8.343 7.762 9.744 1.00 2.40 H new ATOM 0 HZ2 LYS A 21 9.020 6.430 8.938 1.00 2.40 H new ATOM 0 HZ3 LYS A 21 9.729 7.965 8.785 1.00 2.40 H new ATOM 363 N SER A 22 8.654 6.882 1.693 1.00 0.37 N ATOM 364 CA SER A 22 8.787 8.014 0.734 1.00 0.38 C ATOM 365 C SER A 22 7.831 7.813 -0.446 1.00 0.37 C ATOM 366 O SER A 22 7.159 8.729 -0.874 1.00 0.51 O ATOM 367 CB SER A 22 10.225 8.077 0.218 1.00 0.45 C ATOM 368 OG SER A 22 10.327 7.316 -0.979 1.00 1.20 O ATOM 0 H SER A 22 9.499 6.327 1.828 1.00 0.37 H new ATOM 0 HA SER A 22 8.538 8.945 1.242 1.00 0.38 H new ATOM 0 HB2 SER A 22 10.512 9.112 0.031 1.00 0.45 H new ATOM 0 HB3 SER A 22 10.911 7.688 0.970 1.00 0.45 H new ATOM 0 HG SER A 22 11.247 7.355 -1.314 1.00 1.20 H new ATOM 374 N LEU A 23 7.771 6.623 -0.980 1.00 0.37 N ATOM 375 CA LEU A 23 6.864 6.372 -2.137 1.00 0.40 C ATOM 376 C LEU A 23 5.471 6.933 -1.833 1.00 0.33 C ATOM 377 O LEU A 23 5.023 7.874 -2.457 1.00 0.42 O ATOM 378 CB LEU A 23 6.766 4.865 -2.390 1.00 0.45 C ATOM 379 CG LEU A 23 6.283 4.611 -3.821 1.00 0.56 C ATOM 380 CD1 LEU A 23 4.838 5.088 -3.968 1.00 0.57 C ATOM 381 CD2 LEU A 23 7.173 5.374 -4.804 1.00 0.80 C ATOM 0 H LEU A 23 8.309 5.815 -0.666 1.00 0.37 H new ATOM 0 HA LEU A 23 7.264 6.865 -3.023 1.00 0.40 H new ATOM 0 HB2 LEU A 23 7.738 4.397 -2.236 1.00 0.45 H new ATOM 0 HB3 LEU A 23 6.077 4.411 -1.678 1.00 0.45 H new ATOM 0 HG LEU A 23 6.336 3.543 -4.035 1.00 0.56 H new ATOM 0 HD11 LEU A 23 4.497 4.906 -4.987 1.00 0.57 H new ATOM 0 HD12 LEU A 23 4.202 4.543 -3.270 1.00 0.57 H new ATOM 0 HD13 LEU A 23 4.783 6.155 -3.752 1.00 0.57 H new ATOM 0 HD21 LEU A 23 6.829 5.193 -5.822 1.00 0.80 H new ATOM 0 HD22 LEU A 23 7.122 6.441 -4.588 1.00 0.80 H new ATOM 0 HD23 LEU A 23 8.203 5.032 -4.703 1.00 0.80 H new ATOM 393 N PHE A 24 4.781 6.362 -0.883 1.00 0.27 N ATOM 394 CA PHE A 24 3.417 6.864 -0.548 1.00 0.30 C ATOM 395 C PHE A 24 3.524 8.041 0.424 1.00 0.35 C ATOM 396 O PHE A 24 2.533 8.536 0.923 1.00 0.48 O ATOM 397 CB PHE A 24 2.605 5.743 0.104 1.00 0.32 C ATOM 398 CG PHE A 24 2.101 4.800 -0.961 1.00 0.29 C ATOM 399 CD1 PHE A 24 2.994 3.943 -1.615 1.00 1.26 C ATOM 400 CD2 PHE A 24 0.742 4.781 -1.294 1.00 1.22 C ATOM 401 CE1 PHE A 24 2.528 3.068 -2.603 1.00 1.25 C ATOM 402 CE2 PHE A 24 0.275 3.906 -2.283 1.00 1.23 C ATOM 403 CZ PHE A 24 1.169 3.049 -2.937 1.00 0.29 C ATOM 0 H PHE A 24 5.102 5.571 -0.325 1.00 0.27 H new ATOM 0 HA PHE A 24 2.921 7.192 -1.462 1.00 0.30 H new ATOM 0 HB2 PHE A 24 3.223 5.202 0.821 1.00 0.32 H new ATOM 0 HB3 PHE A 24 1.766 6.163 0.659 1.00 0.32 H new ATOM 0 HD1 PHE A 24 4.043 3.957 -1.357 1.00 1.26 H new ATOM 0 HD2 PHE A 24 0.053 5.441 -0.788 1.00 1.22 H new ATOM 0 HE1 PHE A 24 3.217 2.407 -3.108 1.00 1.25 H new ATOM 0 HE2 PHE A 24 -0.774 3.892 -2.541 1.00 1.23 H new ATOM 0 HZ PHE A 24 0.810 2.373 -3.699 1.00 0.29 H new ATOM 413 N GLY A 25 4.716 8.493 0.700 1.00 0.31 N ATOM 414 CA GLY A 25 4.876 9.636 1.643 1.00 0.37 C ATOM 415 C GLY A 25 4.691 10.956 0.893 1.00 0.43 C ATOM 416 O GLY A 25 4.140 11.905 1.415 1.00 0.49 O ATOM 0 H GLY A 25 5.584 8.122 0.315 1.00 0.31 H new ATOM 0 HA2 GLY A 25 4.146 9.560 2.449 1.00 0.37 H new ATOM 0 HA3 GLY A 25 5.863 9.604 2.103 1.00 0.37 H new ATOM 420 N SER A 26 5.148 11.028 -0.327 1.00 0.50 N ATOM 421 CA SER A 26 4.999 12.290 -1.105 1.00 0.59 C ATOM 422 C SER A 26 3.678 12.266 -1.877 1.00 0.57 C ATOM 423 O SER A 26 3.615 12.652 -3.028 1.00 0.94 O ATOM 424 CB SER A 26 6.163 12.422 -2.088 1.00 0.71 C ATOM 425 OG SER A 26 7.371 12.609 -1.362 1.00 1.68 O ATOM 0 H SER A 26 5.618 10.268 -0.818 1.00 0.50 H new ATOM 0 HA SER A 26 5.001 13.139 -0.421 1.00 0.59 H new ATOM 0 HB2 SER A 26 6.233 11.529 -2.709 1.00 0.71 H new ATOM 0 HB3 SER A 26 5.994 13.264 -2.759 1.00 0.71 H new ATOM 0 HG SER A 26 8.120 12.692 -1.989 1.00 1.68 H new ATOM 431 N ILE A 27 2.622 11.820 -1.255 1.00 0.56 N ATOM 432 CA ILE A 27 1.308 11.778 -1.957 1.00 0.56 C ATOM 433 C ILE A 27 0.197 12.174 -0.985 1.00 0.63 C ATOM 434 O ILE A 27 -0.735 12.868 -1.342 1.00 0.87 O ATOM 435 CB ILE A 27 1.052 10.363 -2.481 1.00 0.65 C ATOM 436 CG1 ILE A 27 2.222 9.932 -3.368 1.00 0.76 C ATOM 437 CG2 ILE A 27 -0.241 10.349 -3.300 1.00 0.79 C ATOM 438 CD1 ILE A 27 1.855 8.648 -4.114 1.00 0.93 C ATOM 0 H ILE A 27 2.612 11.483 -0.292 1.00 0.56 H new ATOM 0 HA ILE A 27 1.322 12.476 -2.794 1.00 0.56 H new ATOM 0 HB ILE A 27 0.957 9.674 -1.642 1.00 0.65 H new ATOM 0 HG12 ILE A 27 2.462 10.722 -4.080 1.00 0.76 H new ATOM 0 HG13 ILE A 27 3.112 9.769 -2.760 1.00 0.76 H new ATOM 0 HG21 ILE A 27 -0.424 9.342 -3.674 1.00 0.79 H new ATOM 0 HG22 ILE A 27 -1.074 10.659 -2.670 1.00 0.79 H new ATOM 0 HG23 ILE A 27 -0.147 11.036 -4.141 1.00 0.79 H new ATOM 0 HD11 ILE A 27 2.690 8.343 -4.745 1.00 0.93 H new ATOM 0 HD12 ILE A 27 1.637 7.859 -3.394 1.00 0.93 H new ATOM 0 HD13 ILE A 27 0.977 8.826 -4.735 1.00 0.93 H new ATOM 450 N GLY A 28 0.287 11.741 0.241 1.00 0.67 N ATOM 451 CA GLY A 28 -0.765 12.095 1.235 1.00 0.82 C ATOM 452 C GLY A 28 -0.248 11.833 2.650 1.00 0.70 C ATOM 453 O GLY A 28 0.713 11.117 2.849 1.00 0.84 O ATOM 0 H GLY A 28 1.043 11.157 0.598 1.00 0.67 H new ATOM 0 HA2 GLY A 28 -1.042 13.144 1.127 1.00 0.82 H new ATOM 0 HA3 GLY A 28 -1.664 11.507 1.052 1.00 0.82 H new ATOM 457 N ASP A 29 -0.880 12.409 3.636 1.00 0.68 N ATOM 458 CA ASP A 29 -0.429 12.196 5.041 1.00 0.74 C ATOM 459 C ASP A 29 -0.821 10.793 5.497 1.00 0.66 C ATOM 460 O ASP A 29 -1.830 10.601 6.146 1.00 0.94 O ATOM 461 CB ASP A 29 -1.094 13.231 5.951 1.00 0.99 C ATOM 462 CG ASP A 29 -0.632 13.014 7.393 1.00 1.58 C ATOM 463 OD1 ASP A 29 -1.161 12.122 8.036 1.00 2.21 O ATOM 464 OD2 ASP A 29 0.242 13.745 7.831 1.00 2.16 O ATOM 0 H ASP A 29 -1.691 13.019 3.529 1.00 0.68 H new ATOM 0 HA ASP A 29 0.654 12.305 5.094 1.00 0.74 H new ATOM 0 HB2 ASP A 29 -0.837 14.238 5.623 1.00 0.99 H new ATOM 0 HB3 ASP A 29 -2.179 13.143 5.888 1.00 0.99 H new ATOM 469 N ILE A 30 -0.030 9.808 5.170 1.00 0.59 N ATOM 470 CA ILE A 30 -0.364 8.422 5.594 1.00 0.50 C ATOM 471 C ILE A 30 -0.547 8.392 7.111 1.00 0.52 C ATOM 472 O ILE A 30 0.393 8.188 7.853 1.00 0.56 O ATOM 473 CB ILE A 30 0.767 7.473 5.199 1.00 0.53 C ATOM 474 CG1 ILE A 30 0.898 7.443 3.675 1.00 0.60 C ATOM 475 CG2 ILE A 30 0.451 6.066 5.712 1.00 0.49 C ATOM 476 CD1 ILE A 30 2.367 7.253 3.293 1.00 0.64 C ATOM 0 H ILE A 30 0.830 9.904 4.630 1.00 0.59 H new ATOM 0 HA ILE A 30 -1.285 8.105 5.105 1.00 0.50 H new ATOM 0 HB ILE A 30 1.703 7.819 5.637 1.00 0.53 H new ATOM 0 HG12 ILE A 30 0.296 6.633 3.264 1.00 0.60 H new ATOM 0 HG13 ILE A 30 0.517 8.371 3.248 1.00 0.60 H new ATOM 0 HG21 ILE A 30 1.256 5.387 5.432 1.00 0.49 H new ATOM 0 HG22 ILE A 30 0.356 6.087 6.798 1.00 0.49 H new ATOM 0 HG23 ILE A 30 -0.485 5.720 5.273 1.00 0.49 H new ATOM 0 HD11 ILE A 30 2.461 7.232 2.207 1.00 0.64 H new ATOM 0 HD12 ILE A 30 2.956 8.079 3.692 1.00 0.64 H new ATOM 0 HD13 ILE A 30 2.732 6.313 3.707 1.00 0.64 H new ATOM 488 N GLU A 31 -1.752 8.603 7.569 1.00 0.53 N ATOM 489 CA GLU A 31 -2.021 8.596 9.039 1.00 0.61 C ATOM 490 C GLU A 31 -1.171 7.524 9.725 1.00 0.57 C ATOM 491 O GLU A 31 -0.801 7.656 10.875 1.00 0.63 O ATOM 492 CB GLU A 31 -3.503 8.300 9.280 1.00 0.71 C ATOM 493 CG GLU A 31 -4.266 9.615 9.451 1.00 0.91 C ATOM 494 CD GLU A 31 -3.987 10.191 10.840 1.00 1.66 C ATOM 495 OE1 GLU A 31 -4.617 9.742 11.784 1.00 2.34 O ATOM 496 OE2 GLU A 31 -3.148 11.071 10.938 1.00 2.16 O ATOM 0 H GLU A 31 -2.569 8.781 6.984 1.00 0.53 H new ATOM 0 HA GLU A 31 -1.765 9.571 9.453 1.00 0.61 H new ATOM 0 HB2 GLU A 31 -3.913 7.736 8.442 1.00 0.71 H new ATOM 0 HB3 GLU A 31 -3.621 7.681 10.169 1.00 0.71 H new ATOM 0 HG2 GLU A 31 -3.962 10.326 8.683 1.00 0.91 H new ATOM 0 HG3 GLU A 31 -5.335 9.446 9.324 1.00 0.91 H new ATOM 503 N SER A 32 -0.855 6.464 9.032 1.00 0.53 N ATOM 504 CA SER A 32 -0.026 5.394 9.654 1.00 0.58 C ATOM 505 C SER A 32 0.359 4.357 8.598 1.00 0.47 C ATOM 506 O SER A 32 -0.481 3.669 8.052 1.00 0.46 O ATOM 507 CB SER A 32 -0.823 4.714 10.768 1.00 0.73 C ATOM 508 OG SER A 32 0.067 4.296 11.794 1.00 1.45 O ATOM 0 H SER A 32 -1.134 6.293 8.066 1.00 0.53 H new ATOM 0 HA SER A 32 0.879 5.837 10.070 1.00 0.58 H new ATOM 0 HB2 SER A 32 -1.565 5.403 11.172 1.00 0.73 H new ATOM 0 HB3 SER A 32 -1.367 3.857 10.371 1.00 0.73 H new ATOM 0 HG SER A 32 -0.441 3.861 12.511 1.00 1.45 H new ATOM 514 N CYS A 33 1.627 4.233 8.314 1.00 0.51 N ATOM 515 CA CYS A 33 2.072 3.234 7.304 1.00 0.48 C ATOM 516 C CYS A 33 2.340 1.904 8.014 1.00 0.50 C ATOM 517 O CYS A 33 2.326 1.828 9.227 1.00 0.55 O ATOM 518 CB CYS A 33 3.360 3.721 6.635 1.00 0.60 C ATOM 519 SG CYS A 33 3.274 5.505 6.349 1.00 0.85 S ATOM 0 H CYS A 33 2.374 4.782 8.739 1.00 0.51 H new ATOM 0 HA CYS A 33 1.300 3.104 6.545 1.00 0.48 H new ATOM 0 HB2 CYS A 33 4.218 3.487 7.265 1.00 0.60 H new ATOM 0 HB3 CYS A 33 3.508 3.200 5.689 1.00 0.60 H new ATOM 0 HG CYS A 33 4.373 5.907 5.783 1.00 0.85 H new ATOM 525 N LYS A 34 2.586 0.856 7.278 1.00 0.51 N ATOM 526 CA LYS A 34 2.854 -0.460 7.930 1.00 0.56 C ATOM 527 C LYS A 34 3.225 -1.502 6.872 1.00 0.59 C ATOM 528 O LYS A 34 2.463 -2.403 6.581 1.00 1.09 O ATOM 529 CB LYS A 34 1.604 -0.922 8.682 1.00 0.66 C ATOM 530 CG LYS A 34 1.926 -2.189 9.476 1.00 0.95 C ATOM 531 CD LYS A 34 1.554 -1.983 10.946 1.00 1.48 C ATOM 532 CE LYS A 34 2.811 -2.093 11.812 1.00 1.90 C ATOM 533 NZ LYS A 34 2.445 -1.916 13.246 1.00 2.59 N ATOM 0 H LYS A 34 2.613 0.852 6.258 1.00 0.51 H new ATOM 0 HA LYS A 34 3.683 -0.349 8.629 1.00 0.56 H new ATOM 0 HB2 LYS A 34 1.260 -0.136 9.354 1.00 0.66 H new ATOM 0 HB3 LYS A 34 0.794 -1.117 7.979 1.00 0.66 H new ATOM 0 HG2 LYS A 34 1.376 -3.036 9.067 1.00 0.95 H new ATOM 0 HG3 LYS A 34 2.986 -2.425 9.389 1.00 0.95 H new ATOM 0 HD2 LYS A 34 1.091 -1.006 11.081 1.00 1.48 H new ATOM 0 HD3 LYS A 34 0.821 -2.728 11.254 1.00 1.48 H new ATOM 0 HE2 LYS A 34 3.284 -3.064 11.664 1.00 1.90 H new ATOM 0 HE3 LYS A 34 3.537 -1.336 11.515 1.00 1.90 H new ATOM 0 HZ1 LYS A 34 3.299 -1.991 13.834 1.00 2.59 H new ATOM 0 HZ2 LYS A 34 2.013 -0.980 13.381 1.00 2.59 H new ATOM 0 HZ3 LYS A 34 1.767 -2.654 13.525 1.00 2.59 H new ATOM 547 N LEU A 35 4.391 -1.389 6.297 1.00 0.33 N ATOM 548 CA LEU A 35 4.812 -2.376 5.262 1.00 0.37 C ATOM 549 C LEU A 35 5.050 -3.739 5.918 1.00 0.37 C ATOM 550 O LEU A 35 5.388 -3.826 7.082 1.00 0.49 O ATOM 551 CB LEU A 35 6.107 -1.896 4.604 1.00 0.48 C ATOM 552 CG LEU A 35 6.370 -2.708 3.335 1.00 0.59 C ATOM 553 CD1 LEU A 35 7.343 -1.947 2.434 1.00 0.95 C ATOM 554 CD2 LEU A 35 6.978 -4.061 3.712 1.00 0.46 C ATOM 0 H LEU A 35 5.071 -0.656 6.499 1.00 0.33 H new ATOM 0 HA LEU A 35 4.030 -2.469 4.509 1.00 0.37 H new ATOM 0 HB2 LEU A 35 6.032 -0.836 4.361 1.00 0.48 H new ATOM 0 HB3 LEU A 35 6.941 -2.005 5.297 1.00 0.48 H new ATOM 0 HG LEU A 35 5.431 -2.866 2.804 1.00 0.59 H new ATOM 0 HD11 LEU A 35 7.530 -2.526 1.530 1.00 0.95 H new ATOM 0 HD12 LEU A 35 6.911 -0.983 2.165 1.00 0.95 H new ATOM 0 HD13 LEU A 35 8.282 -1.789 2.964 1.00 0.95 H new ATOM 0 HD21 LEU A 35 7.166 -4.640 2.808 1.00 0.46 H new ATOM 0 HD22 LEU A 35 7.917 -3.903 4.243 1.00 0.46 H new ATOM 0 HD23 LEU A 35 6.285 -4.605 4.354 1.00 0.46 H new ATOM 566 N VAL A 36 4.880 -4.804 5.181 1.00 0.41 N ATOM 567 CA VAL A 36 5.100 -6.157 5.766 1.00 0.48 C ATOM 568 C VAL A 36 6.588 -6.345 6.072 1.00 0.68 C ATOM 569 O VAL A 36 7.433 -6.178 5.214 1.00 0.83 O ATOM 570 CB VAL A 36 4.655 -7.229 4.768 1.00 0.46 C ATOM 571 CG1 VAL A 36 4.834 -8.613 5.394 1.00 0.58 C ATOM 572 CG2 VAL A 36 3.182 -7.021 4.412 1.00 0.52 C ATOM 0 H VAL A 36 4.599 -4.795 4.201 1.00 0.41 H new ATOM 0 HA VAL A 36 4.520 -6.249 6.684 1.00 0.48 H new ATOM 0 HB VAL A 36 5.260 -7.154 3.865 1.00 0.46 H new ATOM 0 HG11 VAL A 36 4.517 -9.377 4.684 1.00 0.58 H new ATOM 0 HG12 VAL A 36 5.883 -8.765 5.647 1.00 0.58 H new ATOM 0 HG13 VAL A 36 4.229 -8.685 6.298 1.00 0.58 H new ATOM 0 HG21 VAL A 36 2.868 -7.786 3.701 1.00 0.52 H new ATOM 0 HG22 VAL A 36 2.576 -7.094 5.315 1.00 0.52 H new ATOM 0 HG23 VAL A 36 3.051 -6.035 3.966 1.00 0.52 H new ATOM 582 N ARG A 37 6.916 -6.696 7.285 1.00 0.94 N ATOM 583 CA ARG A 37 8.348 -6.899 7.639 1.00 1.17 C ATOM 584 C ARG A 37 8.456 -7.960 8.735 1.00 1.29 C ATOM 585 O ARG A 37 8.355 -7.664 9.910 1.00 1.70 O ATOM 586 CB ARG A 37 8.945 -5.584 8.144 1.00 1.58 C ATOM 587 CG ARG A 37 10.471 -5.693 8.163 1.00 1.97 C ATOM 588 CD ARG A 37 11.041 -5.131 6.860 1.00 2.59 C ATOM 589 NE ARG A 37 12.344 -4.462 7.134 1.00 3.34 N ATOM 590 CZ ARG A 37 13.460 -5.119 6.976 1.00 4.25 C ATOM 591 NH1 ARG A 37 14.018 -5.183 5.798 1.00 4.91 N ATOM 592 NH2 ARG A 37 14.020 -5.710 7.996 1.00 4.85 N ATOM 0 H ARG A 37 6.254 -6.851 8.046 1.00 0.94 H new ATOM 0 HA ARG A 37 8.895 -7.229 6.756 1.00 1.17 H new ATOM 0 HB2 ARG A 37 8.636 -4.761 7.500 1.00 1.58 H new ATOM 0 HB3 ARG A 37 8.573 -5.363 9.144 1.00 1.58 H new ATOM 0 HG2 ARG A 37 10.874 -5.145 9.015 1.00 1.97 H new ATOM 0 HG3 ARG A 37 10.770 -6.734 8.283 1.00 1.97 H new ATOM 0 HD2 ARG A 37 11.178 -5.933 6.135 1.00 2.59 H new ATOM 0 HD3 ARG A 37 10.341 -4.420 6.421 1.00 2.59 H new ATOM 0 HE ARG A 37 12.363 -3.491 7.445 1.00 3.34 H new ATOM 0 HH11 ARG A 37 13.582 -4.719 5.001 1.00 4.91 H new ATOM 0 HH12 ARG A 37 14.891 -5.697 5.674 1.00 4.91 H new ATOM 0 HH21 ARG A 37 13.585 -5.658 8.917 1.00 4.85 H new ATOM 0 HH22 ARG A 37 14.893 -6.224 7.872 1.00 4.85 H new ATOM 606 N ASP A 38 8.661 -9.193 8.362 1.00 1.40 N ATOM 607 CA ASP A 38 8.775 -10.272 9.383 1.00 1.67 C ATOM 608 C ASP A 38 9.655 -9.791 10.538 1.00 1.90 C ATOM 609 O ASP A 38 10.400 -8.840 10.410 1.00 2.26 O ATOM 610 CB ASP A 38 9.404 -11.516 8.749 1.00 2.13 C ATOM 611 CG ASP A 38 10.377 -11.096 7.646 1.00 2.65 C ATOM 612 OD1 ASP A 38 10.915 -10.005 7.741 1.00 3.19 O ATOM 613 OD2 ASP A 38 10.567 -11.872 6.723 1.00 3.00 O ATOM 0 H ASP A 38 8.755 -9.500 7.394 1.00 1.40 H new ATOM 0 HA ASP A 38 7.782 -10.519 9.759 1.00 1.67 H new ATOM 0 HB2 ASP A 38 9.928 -12.097 9.508 1.00 2.13 H new ATOM 0 HB3 ASP A 38 8.626 -12.158 8.336 1.00 2.13 H new ATOM 618 N LYS A 39 9.574 -10.441 11.667 1.00 2.25 N ATOM 619 CA LYS A 39 10.405 -10.022 12.829 1.00 2.79 C ATOM 620 C LYS A 39 11.564 -11.006 13.007 1.00 2.96 C ATOM 621 O LYS A 39 12.153 -11.101 14.066 1.00 3.36 O ATOM 622 CB LYS A 39 9.545 -10.011 14.095 1.00 3.20 C ATOM 623 CG LYS A 39 9.669 -8.650 14.784 1.00 4.14 C ATOM 624 CD LYS A 39 9.864 -8.854 16.288 1.00 4.64 C ATOM 625 CE LYS A 39 8.510 -8.777 16.995 1.00 5.49 C ATOM 626 NZ LYS A 39 7.974 -7.391 16.895 1.00 6.06 N ATOM 0 H LYS A 39 8.968 -11.244 11.834 1.00 2.25 H new ATOM 0 HA LYS A 39 10.801 -9.022 12.651 1.00 2.79 H new ATOM 0 HB2 LYS A 39 8.503 -10.209 13.842 1.00 3.20 H new ATOM 0 HB3 LYS A 39 9.865 -10.804 14.772 1.00 3.20 H new ATOM 0 HG2 LYS A 39 10.511 -8.096 14.369 1.00 4.14 H new ATOM 0 HG3 LYS A 39 8.775 -8.055 14.600 1.00 4.14 H new ATOM 0 HD2 LYS A 39 10.330 -9.821 16.477 1.00 4.64 H new ATOM 0 HD3 LYS A 39 10.537 -8.093 16.684 1.00 4.64 H new ATOM 0 HE2 LYS A 39 7.812 -9.482 16.543 1.00 5.49 H new ATOM 0 HE3 LYS A 39 8.618 -9.062 18.042 1.00 5.49 H new ATOM 0 HZ1 LYS A 39 7.427 -7.168 17.751 1.00 6.06 H new ATOM 0 HZ2 LYS A 39 8.763 -6.720 16.803 1.00 6.06 H new ATOM 0 HZ3 LYS A 39 7.357 -7.317 16.061 1.00 6.06 H new ATOM 640 N ILE A 40 11.895 -11.738 11.979 1.00 2.98 N ATOM 641 CA ILE A 40 13.016 -12.714 12.087 1.00 3.53 C ATOM 642 C ILE A 40 14.184 -12.242 11.218 1.00 4.09 C ATOM 643 O ILE A 40 15.031 -11.488 11.655 1.00 4.66 O ATOM 644 CB ILE A 40 12.540 -14.088 11.610 1.00 3.60 C ATOM 645 CG1 ILE A 40 11.454 -14.604 12.556 1.00 3.44 C ATOM 646 CG2 ILE A 40 13.716 -15.065 11.605 1.00 4.36 C ATOM 647 CD1 ILE A 40 11.057 -16.025 12.151 1.00 3.50 C ATOM 0 H ILE A 40 11.437 -11.702 11.068 1.00 2.98 H new ATOM 0 HA ILE A 40 13.343 -12.785 13.124 1.00 3.53 H new ATOM 0 HB ILE A 40 12.137 -14.003 10.601 1.00 3.60 H new ATOM 0 HG12 ILE A 40 11.818 -14.596 13.583 1.00 3.44 H new ATOM 0 HG13 ILE A 40 10.584 -13.948 12.521 1.00 3.44 H new ATOM 0 HG21 ILE A 40 13.375 -16.043 11.265 1.00 4.36 H new ATOM 0 HG22 ILE A 40 14.492 -14.697 10.933 1.00 4.36 H new ATOM 0 HG23 ILE A 40 14.121 -15.152 12.613 1.00 4.36 H new ATOM 0 HD11 ILE A 40 10.283 -16.393 12.825 1.00 3.50 H new ATOM 0 HD12 ILE A 40 10.676 -16.019 11.130 1.00 3.50 H new ATOM 0 HD13 ILE A 40 11.929 -16.677 12.209 1.00 3.50 H new ATOM 659 N THR A 41 14.233 -12.674 9.989 1.00 4.17 N ATOM 660 CA THR A 41 15.342 -12.245 9.093 1.00 4.89 C ATOM 661 C THR A 41 15.064 -10.827 8.597 1.00 4.70 C ATOM 662 O THR A 41 15.923 -9.969 8.614 1.00 5.28 O ATOM 663 CB THR A 41 15.427 -13.206 7.903 1.00 5.33 C ATOM 664 OG1 THR A 41 16.683 -13.051 7.258 1.00 6.18 O ATOM 665 CG2 THR A 41 14.301 -12.915 6.908 1.00 4.90 C ATOM 0 H THR A 41 13.553 -13.306 9.566 1.00 4.17 H new ATOM 0 HA THR A 41 16.287 -12.259 9.635 1.00 4.89 H new ATOM 0 HB THR A 41 15.324 -14.229 8.265 1.00 5.33 H new ATOM 0 HG1 THR A 41 16.738 -13.667 6.498 1.00 6.18 H new ATOM 0 HG21 THR A 41 14.372 -13.604 6.067 1.00 4.90 H new ATOM 0 HG22 THR A 41 13.337 -13.042 7.401 1.00 4.90 H new ATOM 0 HG23 THR A 41 14.391 -11.891 6.546 1.00 4.90 H new ATOM 673 N GLY A 42 13.863 -10.581 8.157 1.00 3.99 N ATOM 674 CA GLY A 42 13.513 -9.220 7.660 1.00 3.88 C ATOM 675 C GLY A 42 13.151 -9.291 6.175 1.00 3.48 C ATOM 676 O GLY A 42 13.327 -8.342 5.438 1.00 3.83 O ATOM 0 H GLY A 42 13.106 -11.264 8.119 1.00 3.99 H new ATOM 0 HA2 GLY A 42 12.675 -8.819 8.230 1.00 3.88 H new ATOM 0 HA3 GLY A 42 14.353 -8.541 7.807 1.00 3.88 H new ATOM 680 N GLN A 43 12.646 -10.409 5.730 1.00 3.06 N ATOM 681 CA GLN A 43 12.273 -10.537 4.293 1.00 3.05 C ATOM 682 C GLN A 43 10.910 -9.881 4.058 1.00 2.53 C ATOM 683 O GLN A 43 9.987 -10.052 4.830 1.00 2.81 O ATOM 684 CB GLN A 43 12.199 -12.017 3.912 1.00 3.57 C ATOM 685 CG GLN A 43 12.985 -12.252 2.620 1.00 4.27 C ATOM 686 CD GLN A 43 12.045 -12.786 1.538 1.00 5.09 C ATOM 687 OE1 GLN A 43 11.405 -13.803 1.720 1.00 5.77 O ATOM 688 NE2 GLN A 43 11.933 -12.138 0.410 1.00 5.38 N ATOM 0 H GLN A 43 12.476 -11.238 6.299 1.00 3.06 H new ATOM 0 HA GLN A 43 13.025 -10.042 3.679 1.00 3.05 H new ATOM 0 HB2 GLN A 43 12.607 -12.631 4.715 1.00 3.57 H new ATOM 0 HB3 GLN A 43 11.160 -12.317 3.778 1.00 3.57 H new ATOM 0 HG2 GLN A 43 13.446 -11.322 2.289 1.00 4.27 H new ATOM 0 HG3 GLN A 43 13.792 -12.962 2.798 1.00 4.27 H new ATOM 0 HE21 GLN A 43 12.470 -11.284 0.257 1.00 5.38 H new ATOM 0 HE22 GLN A 43 11.309 -12.485 -0.318 1.00 5.38 H new ATOM 697 N SER A 44 10.777 -9.132 2.999 1.00 2.35 N ATOM 698 CA SER A 44 9.476 -8.465 2.713 1.00 2.20 C ATOM 699 C SER A 44 8.510 -9.474 2.089 1.00 1.68 C ATOM 700 O SER A 44 8.908 -10.363 1.364 1.00 1.95 O ATOM 701 CB SER A 44 9.700 -7.308 1.740 1.00 3.04 C ATOM 702 OG SER A 44 9.577 -7.786 0.407 1.00 3.48 O ATOM 0 H SER A 44 11.515 -8.953 2.318 1.00 2.35 H new ATOM 0 HA SER A 44 9.053 -8.083 3.642 1.00 2.20 H new ATOM 0 HB2 SER A 44 8.973 -6.517 1.924 1.00 3.04 H new ATOM 0 HB3 SER A 44 10.688 -6.874 1.894 1.00 3.04 H new ATOM 0 HG SER A 44 9.718 -7.046 -0.220 1.00 3.48 H new ATOM 708 N LEU A 45 7.241 -9.341 2.365 1.00 1.18 N ATOM 709 CA LEU A 45 6.249 -10.291 1.787 1.00 0.85 C ATOM 710 C LEU A 45 5.831 -9.820 0.391 1.00 0.74 C ATOM 711 O LEU A 45 5.078 -10.481 -0.297 1.00 1.35 O ATOM 712 CB LEU A 45 5.022 -10.362 2.700 1.00 0.72 C ATOM 713 CG LEU A 45 5.309 -11.313 3.865 1.00 0.94 C ATOM 714 CD1 LEU A 45 4.046 -11.481 4.710 1.00 1.24 C ATOM 715 CD2 LEU A 45 5.736 -12.676 3.317 1.00 1.64 C ATOM 0 H LEU A 45 6.849 -8.616 2.966 1.00 1.18 H new ATOM 0 HA LEU A 45 6.699 -11.281 1.707 1.00 0.85 H new ATOM 0 HB2 LEU A 45 4.779 -9.369 3.078 1.00 0.72 H new ATOM 0 HB3 LEU A 45 4.156 -10.710 2.137 1.00 0.72 H new ATOM 0 HG LEU A 45 6.108 -10.900 4.481 1.00 0.94 H new ATOM 0 HD11 LEU A 45 4.250 -12.158 5.539 1.00 1.24 H new ATOM 0 HD12 LEU A 45 3.738 -10.511 5.101 1.00 1.24 H new ATOM 0 HD13 LEU A 45 3.248 -11.894 4.093 1.00 1.24 H new ATOM 0 HD21 LEU A 45 5.941 -13.354 4.146 1.00 1.64 H new ATOM 0 HD22 LEU A 45 4.936 -13.087 2.701 1.00 1.64 H new ATOM 0 HD23 LEU A 45 6.636 -12.560 2.713 1.00 1.64 H new ATOM 727 N GLY A 46 6.320 -8.688 -0.038 1.00 0.56 N ATOM 728 CA GLY A 46 5.956 -8.185 -1.395 1.00 0.50 C ATOM 729 C GLY A 46 4.670 -7.359 -1.317 1.00 0.38 C ATOM 730 O GLY A 46 3.883 -7.333 -2.242 1.00 0.36 O ATOM 0 H GLY A 46 6.955 -8.090 0.491 1.00 0.56 H new ATOM 0 HA2 GLY A 46 6.766 -7.576 -1.796 1.00 0.50 H new ATOM 0 HA3 GLY A 46 5.819 -9.023 -2.078 1.00 0.50 H new ATOM 734 N TYR A 47 4.452 -6.681 -0.224 1.00 0.34 N ATOM 735 CA TYR A 47 3.218 -5.856 -0.095 1.00 0.29 C ATOM 736 C TYR A 47 3.219 -5.151 1.265 1.00 0.30 C ATOM 737 O TYR A 47 3.665 -5.696 2.255 1.00 0.43 O ATOM 738 CB TYR A 47 1.983 -6.758 -0.232 1.00 0.35 C ATOM 739 CG TYR A 47 1.681 -7.443 1.083 1.00 0.41 C ATOM 740 CD1 TYR A 47 0.827 -6.830 2.008 1.00 1.27 C ATOM 741 CD2 TYR A 47 2.251 -8.689 1.375 1.00 1.33 C ATOM 742 CE1 TYR A 47 0.544 -7.461 3.225 1.00 1.34 C ATOM 743 CE2 TYR A 47 1.967 -9.320 2.593 1.00 1.43 C ATOM 744 CZ TYR A 47 1.113 -8.706 3.518 1.00 0.80 C ATOM 745 OH TYR A 47 0.834 -9.329 4.718 1.00 1.03 O ATOM 0 H TYR A 47 5.074 -6.663 0.584 1.00 0.34 H new ATOM 0 HA TYR A 47 3.191 -5.103 -0.882 1.00 0.29 H new ATOM 0 HB2 TYR A 47 1.124 -6.164 -0.546 1.00 0.35 H new ATOM 0 HB3 TYR A 47 2.154 -7.505 -1.007 1.00 0.35 H new ATOM 0 HD1 TYR A 47 0.387 -5.870 1.782 1.00 1.27 H new ATOM 0 HD2 TYR A 47 2.909 -9.163 0.662 1.00 1.33 H new ATOM 0 HE1 TYR A 47 -0.114 -6.987 3.938 1.00 1.34 H new ATOM 0 HE2 TYR A 47 2.407 -10.280 2.819 1.00 1.43 H new ATOM 0 HH TYR A 47 1.309 -10.185 4.760 1.00 1.03 H new ATOM 755 N GLY A 48 2.732 -3.942 1.322 1.00 0.30 N ATOM 756 CA GLY A 48 2.719 -3.209 2.619 1.00 0.34 C ATOM 757 C GLY A 48 1.320 -2.657 2.896 1.00 0.33 C ATOM 758 O GLY A 48 0.408 -2.816 2.108 1.00 0.66 O ATOM 0 H GLY A 48 2.344 -3.431 0.529 1.00 0.30 H new ATOM 0 HA2 GLY A 48 3.022 -3.876 3.426 1.00 0.34 H new ATOM 0 HA3 GLY A 48 3.442 -2.393 2.592 1.00 0.34 H new ATOM 762 N PHE A 49 1.147 -2.005 4.013 1.00 0.41 N ATOM 763 CA PHE A 49 -0.185 -1.433 4.352 1.00 0.36 C ATOM 764 C PHE A 49 -0.048 0.077 4.542 1.00 0.32 C ATOM 765 O PHE A 49 0.935 0.558 5.068 1.00 0.48 O ATOM 766 CB PHE A 49 -0.698 -2.058 5.651 1.00 0.45 C ATOM 767 CG PHE A 49 -1.266 -3.427 5.366 1.00 0.49 C ATOM 768 CD1 PHE A 49 -2.339 -3.569 4.478 1.00 1.17 C ATOM 769 CD2 PHE A 49 -0.720 -4.553 5.990 1.00 1.40 C ATOM 770 CE1 PHE A 49 -2.866 -4.839 4.215 1.00 1.19 C ATOM 771 CE2 PHE A 49 -1.246 -5.824 5.728 1.00 1.43 C ATOM 772 CZ PHE A 49 -2.319 -5.967 4.841 1.00 0.61 C ATOM 0 H PHE A 49 1.876 -1.844 4.708 1.00 0.41 H new ATOM 0 HA PHE A 49 -0.887 -1.644 3.546 1.00 0.36 H new ATOM 0 HB2 PHE A 49 0.113 -2.134 6.375 1.00 0.45 H new ATOM 0 HB3 PHE A 49 -1.463 -1.421 6.095 1.00 0.45 H new ATOM 0 HD1 PHE A 49 -2.760 -2.699 3.996 1.00 1.17 H new ATOM 0 HD2 PHE A 49 0.108 -4.442 6.675 1.00 1.40 H new ATOM 0 HE1 PHE A 49 -3.694 -4.949 3.530 1.00 1.19 H new ATOM 0 HE2 PHE A 49 -0.824 -6.693 6.210 1.00 1.43 H new ATOM 0 HZ PHE A 49 -2.726 -6.947 4.639 1.00 0.61 H new ATOM 782 N VAL A 50 -1.022 0.831 4.119 1.00 0.32 N ATOM 783 CA VAL A 50 -0.938 2.307 4.281 1.00 0.30 C ATOM 784 C VAL A 50 -2.326 2.871 4.580 1.00 0.30 C ATOM 785 O VAL A 50 -3.316 2.434 4.031 1.00 0.50 O ATOM 786 CB VAL A 50 -0.405 2.936 2.990 1.00 0.32 C ATOM 787 CG1 VAL A 50 -0.663 4.443 3.011 1.00 0.36 C ATOM 788 CG2 VAL A 50 1.099 2.684 2.880 1.00 0.38 C ATOM 0 H VAL A 50 -1.871 0.490 3.669 1.00 0.32 H new ATOM 0 HA VAL A 50 -0.265 2.539 5.106 1.00 0.30 H new ATOM 0 HB VAL A 50 -0.914 2.489 2.136 1.00 0.32 H new ATOM 0 HG11 VAL A 50 -0.283 4.890 2.092 1.00 0.36 H new ATOM 0 HG12 VAL A 50 -1.734 4.628 3.089 1.00 0.36 H new ATOM 0 HG13 VAL A 50 -0.155 4.887 3.867 1.00 0.36 H new ATOM 0 HG21 VAL A 50 1.477 3.132 1.961 1.00 0.38 H new ATOM 0 HG22 VAL A 50 1.606 3.129 3.736 1.00 0.38 H new ATOM 0 HG23 VAL A 50 1.288 1.611 2.865 1.00 0.38 H new ATOM 798 N ASN A 51 -2.401 3.850 5.435 1.00 0.31 N ATOM 799 CA ASN A 51 -3.718 4.458 5.760 1.00 0.32 C ATOM 800 C ASN A 51 -3.608 5.976 5.614 1.00 0.33 C ATOM 801 O ASN A 51 -2.902 6.629 6.357 1.00 0.39 O ATOM 802 CB ASN A 51 -4.109 4.103 7.196 1.00 0.38 C ATOM 803 CG ASN A 51 -4.007 2.590 7.390 1.00 1.15 C ATOM 804 OD1 ASN A 51 -4.857 1.849 6.936 1.00 2.07 O ATOM 805 ND2 ASN A 51 -2.996 2.096 8.050 1.00 1.72 N ATOM 0 H ASN A 51 -1.604 4.256 5.924 1.00 0.31 H new ATOM 0 HA ASN A 51 -4.481 4.076 5.082 1.00 0.32 H new ATOM 0 HB2 ASN A 51 -3.454 4.616 7.900 1.00 0.38 H new ATOM 0 HB3 ASN A 51 -5.125 4.440 7.402 1.00 0.38 H new ATOM 0 HD21 ASN A 51 -2.919 1.088 8.185 1.00 1.72 H new ATOM 0 HD22 ASN A 51 -2.283 2.718 8.431 1.00 1.72 H new ATOM 812 N TYR A 52 -4.290 6.545 4.659 1.00 0.33 N ATOM 813 CA TYR A 52 -4.206 8.019 4.470 1.00 0.38 C ATOM 814 C TYR A 52 -5.095 8.715 5.502 1.00 0.41 C ATOM 815 O TYR A 52 -5.772 8.078 6.285 1.00 0.53 O ATOM 816 CB TYR A 52 -4.688 8.386 3.064 1.00 0.42 C ATOM 817 CG TYR A 52 -3.582 8.156 2.060 1.00 0.39 C ATOM 818 CD1 TYR A 52 -2.668 7.111 2.241 1.00 1.20 C ATOM 819 CD2 TYR A 52 -3.476 8.992 0.941 1.00 1.22 C ATOM 820 CE1 TYR A 52 -1.648 6.905 1.303 1.00 1.22 C ATOM 821 CE2 TYR A 52 -2.456 8.784 0.006 1.00 1.23 C ATOM 822 CZ TYR A 52 -1.542 7.741 0.187 1.00 0.49 C ATOM 823 OH TYR A 52 -0.536 7.537 -0.735 1.00 0.59 O ATOM 0 H TYR A 52 -4.899 6.055 4.004 1.00 0.33 H new ATOM 0 HA TYR A 52 -3.172 8.340 4.597 1.00 0.38 H new ATOM 0 HB2 TYR A 52 -5.559 7.786 2.801 1.00 0.42 H new ATOM 0 HB3 TYR A 52 -5.001 9.430 3.039 1.00 0.42 H new ATOM 0 HD1 TYR A 52 -2.749 6.465 3.102 1.00 1.20 H new ATOM 0 HD2 TYR A 52 -4.182 9.797 0.800 1.00 1.22 H new ATOM 0 HE1 TYR A 52 -0.942 6.099 1.442 1.00 1.22 H new ATOM 0 HE2 TYR A 52 -2.374 9.429 -0.856 1.00 1.23 H new ATOM 0 HH TYR A 52 0.299 7.923 -0.398 1.00 0.59 H new ATOM 833 N SER A 53 -5.098 10.020 5.510 1.00 0.42 N ATOM 834 CA SER A 53 -5.941 10.759 6.491 1.00 0.47 C ATOM 835 C SER A 53 -7.325 11.011 5.889 1.00 0.44 C ATOM 836 O SER A 53 -8.320 11.040 6.586 1.00 0.59 O ATOM 837 CB SER A 53 -5.280 12.097 6.825 1.00 0.60 C ATOM 838 OG SER A 53 -5.749 12.550 8.088 1.00 1.38 O ATOM 0 H SER A 53 -4.552 10.607 4.879 1.00 0.42 H new ATOM 0 HA SER A 53 -6.043 10.166 7.400 1.00 0.47 H new ATOM 0 HB2 SER A 53 -4.196 11.985 6.845 1.00 0.60 H new ATOM 0 HB3 SER A 53 -5.510 12.832 6.054 1.00 0.60 H new ATOM 0 HG SER A 53 -5.326 13.407 8.306 1.00 1.38 H new ATOM 844 N ASP A 54 -7.396 11.195 4.599 1.00 0.46 N ATOM 845 CA ASP A 54 -8.716 11.447 3.955 1.00 0.54 C ATOM 846 C ASP A 54 -8.898 10.492 2.771 1.00 0.48 C ATOM 847 O ASP A 54 -7.941 9.927 2.279 1.00 0.42 O ATOM 848 CB ASP A 54 -8.773 12.894 3.457 1.00 0.65 C ATOM 849 CG ASP A 54 -7.984 13.794 4.411 1.00 1.24 C ATOM 850 OD1 ASP A 54 -8.187 13.676 5.609 1.00 1.86 O ATOM 851 OD2 ASP A 54 -7.191 14.585 3.928 1.00 1.90 O ATOM 0 H ASP A 54 -6.598 11.182 3.964 1.00 0.46 H new ATOM 0 HA ASP A 54 -9.512 11.281 4.681 1.00 0.54 H new ATOM 0 HB2 ASP A 54 -8.358 12.960 2.451 1.00 0.65 H new ATOM 0 HB3 ASP A 54 -9.809 13.229 3.397 1.00 0.65 H new ATOM 856 N PRO A 55 -10.129 10.341 2.352 1.00 0.54 N ATOM 857 CA PRO A 55 -10.483 9.460 1.225 1.00 0.55 C ATOM 858 C PRO A 55 -10.125 10.124 -0.106 1.00 0.50 C ATOM 859 O PRO A 55 -9.969 9.467 -1.116 1.00 0.52 O ATOM 860 CB PRO A 55 -11.998 9.288 1.365 1.00 0.67 C ATOM 861 CG PRO A 55 -12.500 10.497 2.188 1.00 0.72 C ATOM 862 CD PRO A 55 -11.281 11.041 2.958 1.00 0.65 C ATOM 0 HA PRO A 55 -9.950 8.509 1.239 1.00 0.55 H new ATOM 0 HB2 PRO A 55 -12.478 9.258 0.387 1.00 0.67 H new ATOM 0 HB3 PRO A 55 -12.238 8.350 1.866 1.00 0.67 H new ATOM 0 HG2 PRO A 55 -12.920 11.263 1.535 1.00 0.72 H new ATOM 0 HG3 PRO A 55 -13.290 10.196 2.876 1.00 0.72 H new ATOM 0 HD2 PRO A 55 -11.192 12.122 2.851 1.00 0.65 H new ATOM 0 HD3 PRO A 55 -11.358 10.832 4.025 1.00 0.65 H new ATOM 870 N ASN A 56 -9.991 11.422 -0.114 1.00 0.57 N ATOM 871 CA ASN A 56 -9.640 12.126 -1.378 1.00 0.59 C ATOM 872 C ASN A 56 -8.159 11.912 -1.680 1.00 0.54 C ATOM 873 O ASN A 56 -7.772 11.663 -2.805 1.00 0.58 O ATOM 874 CB ASN A 56 -9.920 13.622 -1.224 1.00 0.69 C ATOM 875 CG ASN A 56 -11.355 13.823 -0.733 1.00 1.08 C ATOM 876 OD1 ASN A 56 -11.663 14.820 -0.110 1.00 1.86 O ATOM 877 ND2 ASN A 56 -12.252 12.911 -0.989 1.00 1.51 N ATOM 0 H ASN A 56 -10.110 12.025 0.700 1.00 0.57 H new ATOM 0 HA ASN A 56 -10.240 11.729 -2.197 1.00 0.59 H new ATOM 0 HB2 ASN A 56 -9.217 14.064 -0.518 1.00 0.69 H new ATOM 0 HB3 ASN A 56 -9.776 14.130 -2.177 1.00 0.69 H new ATOM 0 HD21 ASN A 56 -13.212 13.035 -0.666 1.00 1.51 H new ATOM 0 HD22 ASN A 56 -11.994 12.074 -1.512 1.00 1.51 H new ATOM 884 N ASP A 57 -7.328 12.000 -0.681 1.00 0.52 N ATOM 885 CA ASP A 57 -5.871 11.795 -0.905 1.00 0.51 C ATOM 886 C ASP A 57 -5.606 10.307 -1.133 1.00 0.44 C ATOM 887 O ASP A 57 -4.633 9.927 -1.754 1.00 0.44 O ATOM 888 CB ASP A 57 -5.090 12.270 0.322 1.00 0.57 C ATOM 889 CG ASP A 57 -5.424 13.735 0.605 1.00 1.15 C ATOM 890 OD1 ASP A 57 -4.868 14.589 -0.065 1.00 1.98 O ATOM 891 OD2 ASP A 57 -6.231 13.978 1.487 1.00 1.73 O ATOM 0 H ASP A 57 -7.595 12.205 0.282 1.00 0.52 H new ATOM 0 HA ASP A 57 -5.551 12.365 -1.777 1.00 0.51 H new ATOM 0 HB2 ASP A 57 -5.341 11.655 1.186 1.00 0.57 H new ATOM 0 HB3 ASP A 57 -4.019 12.157 0.151 1.00 0.57 H new ATOM 896 N ALA A 58 -6.466 9.462 -0.635 1.00 0.40 N ATOM 897 CA ALA A 58 -6.266 8.000 -0.824 1.00 0.35 C ATOM 898 C ALA A 58 -6.676 7.613 -2.246 1.00 0.30 C ATOM 899 O ALA A 58 -6.016 6.829 -2.900 1.00 0.28 O ATOM 900 CB ALA A 58 -7.122 7.230 0.185 1.00 0.38 C ATOM 0 H ALA A 58 -7.298 9.722 -0.106 1.00 0.40 H new ATOM 0 HA ALA A 58 -5.216 7.752 -0.667 1.00 0.35 H new ATOM 0 HB1 ALA A 58 -6.974 6.159 0.045 1.00 0.38 H new ATOM 0 HB2 ALA A 58 -6.829 7.508 1.198 1.00 0.38 H new ATOM 0 HB3 ALA A 58 -8.173 7.474 0.032 1.00 0.38 H new ATOM 906 N ASP A 59 -7.757 8.159 -2.735 1.00 0.33 N ATOM 907 CA ASP A 59 -8.193 7.815 -4.116 1.00 0.33 C ATOM 908 C ASP A 59 -7.209 8.416 -5.121 1.00 0.32 C ATOM 909 O ASP A 59 -7.117 7.977 -6.250 1.00 0.36 O ATOM 910 CB ASP A 59 -9.603 8.362 -4.370 1.00 0.40 C ATOM 911 CG ASP A 59 -9.605 9.888 -4.256 1.00 0.43 C ATOM 912 OD1 ASP A 59 -8.622 10.497 -4.642 1.00 1.22 O ATOM 913 OD2 ASP A 59 -10.596 10.424 -3.789 1.00 1.07 O ATOM 0 H ASP A 59 -8.352 8.824 -2.241 1.00 0.33 H new ATOM 0 HA ASP A 59 -8.212 6.731 -4.232 1.00 0.33 H new ATOM 0 HB2 ASP A 59 -9.944 8.063 -5.361 1.00 0.40 H new ATOM 0 HB3 ASP A 59 -10.302 7.935 -3.651 1.00 0.40 H new ATOM 918 N LYS A 60 -6.463 9.412 -4.720 1.00 0.36 N ATOM 919 CA LYS A 60 -5.483 10.022 -5.659 1.00 0.41 C ATOM 920 C LYS A 60 -4.242 9.125 -5.719 1.00 0.42 C ATOM 921 O LYS A 60 -3.656 8.925 -6.765 1.00 0.48 O ATOM 922 CB LYS A 60 -5.132 11.453 -5.189 1.00 0.50 C ATOM 923 CG LYS A 60 -3.734 11.519 -4.550 1.00 0.88 C ATOM 924 CD LYS A 60 -2.657 11.609 -5.641 1.00 1.14 C ATOM 925 CE LYS A 60 -3.008 12.722 -6.630 1.00 1.23 C ATOM 926 NZ LYS A 60 -3.467 13.927 -5.883 1.00 1.87 N ATOM 0 H LYS A 60 -6.491 9.826 -3.788 1.00 0.36 H new ATOM 0 HA LYS A 60 -5.906 10.100 -6.661 1.00 0.41 H new ATOM 0 HB2 LYS A 60 -5.176 12.135 -6.038 1.00 0.50 H new ATOM 0 HB3 LYS A 60 -5.877 11.792 -4.469 1.00 0.50 H new ATOM 0 HG2 LYS A 60 -3.668 12.385 -3.891 1.00 0.88 H new ATOM 0 HG3 LYS A 60 -3.565 10.636 -3.934 1.00 0.88 H new ATOM 0 HD2 LYS A 60 -1.685 11.806 -5.189 1.00 1.14 H new ATOM 0 HD3 LYS A 60 -2.578 10.657 -6.165 1.00 1.14 H new ATOM 0 HE2 LYS A 60 -2.139 12.969 -7.239 1.00 1.23 H new ATOM 0 HE3 LYS A 60 -3.789 12.384 -7.311 1.00 1.23 H new ATOM 0 HZ1 LYS A 60 -3.318 14.775 -6.467 1.00 1.87 H new ATOM 0 HZ2 LYS A 60 -4.479 13.833 -5.660 1.00 1.87 H new ATOM 0 HZ3 LYS A 60 -2.925 14.015 -5.000 1.00 1.87 H new ATOM 940 N ALA A 61 -3.844 8.571 -4.608 1.00 0.41 N ATOM 941 CA ALA A 61 -2.655 7.678 -4.616 1.00 0.46 C ATOM 942 C ALA A 61 -2.993 6.437 -5.438 1.00 0.40 C ATOM 943 O ALA A 61 -2.125 5.746 -5.933 1.00 0.47 O ATOM 944 CB ALA A 61 -2.309 7.267 -3.182 1.00 0.54 C ATOM 0 H ALA A 61 -4.289 8.698 -3.699 1.00 0.41 H new ATOM 0 HA ALA A 61 -1.799 8.195 -5.050 1.00 0.46 H new ATOM 0 HB1 ALA A 61 -1.437 6.613 -3.191 1.00 0.54 H new ATOM 0 HB2 ALA A 61 -2.089 8.156 -2.592 1.00 0.54 H new ATOM 0 HB3 ALA A 61 -3.154 6.739 -2.741 1.00 0.54 H new ATOM 950 N ILE A 62 -4.259 6.155 -5.588 1.00 0.33 N ATOM 951 CA ILE A 62 -4.675 4.966 -6.379 1.00 0.32 C ATOM 952 C ILE A 62 -4.925 5.384 -7.832 1.00 0.30 C ATOM 953 O ILE A 62 -4.788 4.597 -8.744 1.00 0.37 O ATOM 954 CB ILE A 62 -5.956 4.381 -5.771 1.00 0.35 C ATOM 955 CG1 ILE A 62 -5.602 3.622 -4.490 1.00 0.43 C ATOM 956 CG2 ILE A 62 -6.616 3.421 -6.763 1.00 0.38 C ATOM 957 CD1 ILE A 62 -6.879 3.306 -3.710 1.00 0.40 C ATOM 0 H ILE A 62 -5.025 6.701 -5.194 1.00 0.33 H new ATOM 0 HA ILE A 62 -3.889 4.211 -6.357 1.00 0.32 H new ATOM 0 HB ILE A 62 -6.649 5.191 -5.544 1.00 0.35 H new ATOM 0 HG12 ILE A 62 -5.076 2.699 -4.736 1.00 0.43 H new ATOM 0 HG13 ILE A 62 -4.928 4.219 -3.876 1.00 0.43 H new ATOM 0 HG21 ILE A 62 -7.525 3.011 -6.323 1.00 0.38 H new ATOM 0 HG22 ILE A 62 -6.867 3.958 -7.678 1.00 0.38 H new ATOM 0 HG23 ILE A 62 -5.927 2.609 -6.997 1.00 0.38 H new ATOM 0 HD11 ILE A 62 -6.624 2.766 -2.798 1.00 0.40 H new ATOM 0 HD12 ILE A 62 -7.387 4.235 -3.451 1.00 0.40 H new ATOM 0 HD13 ILE A 62 -7.538 2.692 -4.324 1.00 0.40 H new ATOM 969 N ASN A 63 -5.284 6.619 -8.060 1.00 0.28 N ATOM 970 CA ASN A 63 -5.533 7.068 -9.460 1.00 0.32 C ATOM 971 C ASN A 63 -4.196 7.394 -10.140 1.00 0.37 C ATOM 972 O ASN A 63 -4.158 7.833 -11.272 1.00 0.56 O ATOM 973 CB ASN A 63 -6.450 8.306 -9.454 1.00 0.39 C ATOM 974 CG ASN A 63 -5.623 9.598 -9.413 1.00 0.73 C ATOM 975 OD1 ASN A 63 -4.925 9.857 -8.456 1.00 1.56 O ATOM 976 ND2 ASN A 63 -5.672 10.422 -10.423 1.00 1.06 N ATOM 0 H ASN A 63 -5.415 7.332 -7.342 1.00 0.28 H new ATOM 0 HA ASN A 63 -6.026 6.271 -10.017 1.00 0.32 H new ATOM 0 HB2 ASN A 63 -7.081 8.301 -10.343 1.00 0.39 H new ATOM 0 HB3 ASN A 63 -7.115 8.267 -8.591 1.00 0.39 H new ATOM 0 HD21 ASN A 63 -5.124 11.282 -10.407 1.00 1.06 H new ATOM 0 HD22 ASN A 63 -6.258 10.206 -11.229 1.00 1.06 H new ATOM 983 N THR A 64 -3.102 7.191 -9.456 1.00 0.35 N ATOM 984 CA THR A 64 -1.778 7.500 -10.067 1.00 0.43 C ATOM 985 C THR A 64 -0.805 6.339 -9.832 1.00 0.42 C ATOM 986 O THR A 64 0.067 6.080 -10.637 1.00 0.65 O ATOM 987 CB THR A 64 -1.216 8.776 -9.433 1.00 0.51 C ATOM 988 OG1 THR A 64 -2.042 9.878 -9.781 1.00 1.52 O ATOM 989 CG2 THR A 64 0.206 9.022 -9.943 1.00 1.26 C ATOM 0 H THR A 64 -3.068 6.826 -8.504 1.00 0.35 H new ATOM 0 HA THR A 64 -1.903 7.645 -11.140 1.00 0.43 H new ATOM 0 HB THR A 64 -1.195 8.663 -8.349 1.00 0.51 H new ATOM 0 HG1 THR A 64 -2.909 9.792 -9.332 1.00 1.52 H new ATOM 0 HG21 THR A 64 0.603 9.931 -9.490 1.00 1.26 H new ATOM 0 HG22 THR A 64 0.840 8.176 -9.676 1.00 1.26 H new ATOM 0 HG23 THR A 64 0.189 9.134 -11.027 1.00 1.26 H new ATOM 997 N LEU A 65 -0.939 5.641 -8.736 1.00 0.37 N ATOM 998 CA LEU A 65 -0.009 4.506 -8.460 1.00 0.38 C ATOM 999 C LEU A 65 -0.737 3.172 -8.655 1.00 0.34 C ATOM 1000 O LEU A 65 -0.215 2.118 -8.346 1.00 0.35 O ATOM 1001 CB LEU A 65 0.499 4.605 -7.019 1.00 0.41 C ATOM 1002 CG LEU A 65 0.944 6.039 -6.728 1.00 0.48 C ATOM 1003 CD1 LEU A 65 0.517 6.428 -5.312 1.00 1.14 C ATOM 1004 CD2 LEU A 65 2.467 6.136 -6.843 1.00 1.17 C ATOM 0 H LEU A 65 -1.649 5.806 -8.022 1.00 0.37 H new ATOM 0 HA LEU A 65 0.833 4.556 -9.151 1.00 0.38 H new ATOM 0 HB2 LEU A 65 -0.288 4.310 -6.325 1.00 0.41 H new ATOM 0 HB3 LEU A 65 1.332 3.918 -6.868 1.00 0.41 H new ATOM 0 HG LEU A 65 0.481 6.714 -7.448 1.00 0.48 H new ATOM 0 HD11 LEU A 65 0.834 7.450 -5.104 1.00 1.14 H new ATOM 0 HD12 LEU A 65 -0.568 6.360 -5.227 1.00 1.14 H new ATOM 0 HD13 LEU A 65 0.980 5.751 -4.594 1.00 1.14 H new ATOM 0 HD21 LEU A 65 2.783 7.158 -6.635 1.00 1.17 H new ATOM 0 HD22 LEU A 65 2.930 5.460 -6.124 1.00 1.17 H new ATOM 0 HD23 LEU A 65 2.774 5.859 -7.851 1.00 1.17 H new ATOM 1016 N ASN A 66 -1.936 3.201 -9.168 1.00 0.33 N ATOM 1017 CA ASN A 66 -2.680 1.927 -9.379 1.00 0.35 C ATOM 1018 C ASN A 66 -2.242 1.296 -10.700 1.00 0.41 C ATOM 1019 O ASN A 66 -2.854 1.499 -11.730 1.00 0.57 O ATOM 1020 CB ASN A 66 -4.181 2.209 -9.419 1.00 0.37 C ATOM 1021 CG ASN A 66 -4.920 0.968 -9.923 1.00 1.00 C ATOM 1022 OD1 ASN A 66 -5.215 0.857 -11.096 1.00 1.81 O ATOM 1023 ND2 ASN A 66 -5.233 0.023 -9.079 1.00 1.67 N ATOM 0 H ASN A 66 -2.431 4.047 -9.449 1.00 0.33 H new ATOM 0 HA ASN A 66 -2.465 1.241 -8.559 1.00 0.35 H new ATOM 0 HB2 ASN A 66 -4.538 2.479 -8.425 1.00 0.37 H new ATOM 0 HB3 ASN A 66 -4.385 3.057 -10.072 1.00 0.37 H new ATOM 0 HD21 ASN A 66 -5.725 -0.809 -9.404 1.00 1.67 H new ATOM 0 HD22 ASN A 66 -4.985 0.116 -8.094 1.00 1.67 H new ATOM 1030 N GLY A 67 -1.184 0.536 -10.678 1.00 0.51 N ATOM 1031 CA GLY A 67 -0.702 -0.103 -11.932 1.00 0.59 C ATOM 1032 C GLY A 67 0.594 0.571 -12.370 1.00 0.58 C ATOM 1033 O GLY A 67 0.693 1.093 -13.463 1.00 0.65 O ATOM 0 H GLY A 67 -0.632 0.330 -9.845 1.00 0.51 H new ATOM 0 HA2 GLY A 67 -0.536 -1.168 -11.771 1.00 0.59 H new ATOM 0 HA3 GLY A 67 -1.456 -0.012 -12.714 1.00 0.59 H new ATOM 1037 N LEU A 68 1.593 0.567 -11.530 1.00 0.56 N ATOM 1038 CA LEU A 68 2.874 1.210 -11.913 1.00 0.60 C ATOM 1039 C LEU A 68 3.765 0.164 -12.587 1.00 0.64 C ATOM 1040 O LEU A 68 3.865 -0.960 -12.141 1.00 0.63 O ATOM 1041 CB LEU A 68 3.553 1.765 -10.659 1.00 0.57 C ATOM 1042 CG LEU A 68 2.884 3.077 -10.252 1.00 0.61 C ATOM 1043 CD1 LEU A 68 2.744 3.117 -8.728 1.00 0.58 C ATOM 1044 CD2 LEU A 68 3.743 4.256 -10.716 1.00 0.75 C ATOM 0 H LEU A 68 1.575 0.148 -10.600 1.00 0.56 H new ATOM 0 HA LEU A 68 2.697 2.032 -12.607 1.00 0.60 H new ATOM 0 HB2 LEU A 68 3.484 1.042 -9.846 1.00 0.57 H new ATOM 0 HB3 LEU A 68 4.613 1.930 -10.850 1.00 0.57 H new ATOM 0 HG LEU A 68 1.899 3.145 -10.714 1.00 0.61 H new ATOM 0 HD11 LEU A 68 2.267 4.051 -8.431 1.00 0.58 H new ATOM 0 HD12 LEU A 68 2.134 2.277 -8.396 1.00 0.58 H new ATOM 0 HD13 LEU A 68 3.731 3.052 -8.270 1.00 0.58 H new ATOM 0 HD21 LEU A 68 3.265 5.191 -10.425 1.00 0.75 H new ATOM 0 HD22 LEU A 68 4.728 4.193 -10.253 1.00 0.75 H new ATOM 0 HD23 LEU A 68 3.849 4.225 -11.800 1.00 0.75 H new ATOM 1056 N LYS A 69 4.396 0.512 -13.670 1.00 0.74 N ATOM 1057 CA LYS A 69 5.257 -0.482 -14.367 1.00 0.82 C ATOM 1058 C LYS A 69 6.689 -0.398 -13.837 1.00 0.94 C ATOM 1059 O LYS A 69 7.163 0.654 -13.454 1.00 1.13 O ATOM 1060 CB LYS A 69 5.245 -0.198 -15.871 1.00 0.93 C ATOM 1061 CG LYS A 69 3.797 -0.093 -16.356 1.00 1.60 C ATOM 1062 CD LYS A 69 3.752 -0.261 -17.876 1.00 1.93 C ATOM 1063 CE LYS A 69 2.538 0.483 -18.437 1.00 2.60 C ATOM 1064 NZ LYS A 69 2.994 1.526 -19.399 1.00 3.20 N ATOM 0 H LYS A 69 4.355 1.435 -14.102 1.00 0.74 H new ATOM 0 HA LYS A 69 4.871 -1.484 -14.182 1.00 0.82 H new ATOM 0 HB2 LYS A 69 5.779 0.729 -16.082 1.00 0.93 H new ATOM 0 HB3 LYS A 69 5.763 -0.993 -16.407 1.00 0.93 H new ATOM 0 HG2 LYS A 69 3.186 -0.858 -15.877 1.00 1.60 H new ATOM 0 HG3 LYS A 69 3.377 0.873 -16.074 1.00 1.60 H new ATOM 0 HD2 LYS A 69 4.668 0.127 -18.322 1.00 1.93 H new ATOM 0 HD3 LYS A 69 3.695 -1.318 -18.134 1.00 1.93 H new ATOM 0 HE2 LYS A 69 1.867 -0.217 -18.935 1.00 2.60 H new ATOM 0 HE3 LYS A 69 1.974 0.943 -17.626 1.00 2.60 H new ATOM 0 HZ1 LYS A 69 2.169 2.031 -19.780 1.00 3.20 H new ATOM 0 HZ2 LYS A 69 3.618 2.200 -18.911 1.00 3.20 H new ATOM 0 HZ3 LYS A 69 3.514 1.075 -20.179 1.00 3.20 H new ATOM 1078 N LEU A 70 7.383 -1.503 -13.820 1.00 1.04 N ATOM 1079 CA LEU A 70 8.787 -1.501 -13.323 1.00 1.20 C ATOM 1080 C LEU A 70 9.710 -2.044 -14.416 1.00 1.35 C ATOM 1081 O LEU A 70 9.264 -2.490 -15.454 1.00 1.53 O ATOM 1082 CB LEU A 70 8.891 -2.385 -12.077 1.00 1.29 C ATOM 1083 CG LEU A 70 8.177 -1.703 -10.909 1.00 1.30 C ATOM 1084 CD1 LEU A 70 7.425 -2.753 -10.089 1.00 1.53 C ATOM 1085 CD2 LEU A 70 9.208 -1.005 -10.019 1.00 1.45 C ATOM 0 H LEU A 70 7.036 -2.411 -14.130 1.00 1.04 H new ATOM 0 HA LEU A 70 9.083 -0.484 -13.068 1.00 1.20 H new ATOM 0 HB2 LEU A 70 8.444 -3.360 -12.271 1.00 1.29 H new ATOM 0 HB3 LEU A 70 9.938 -2.558 -11.827 1.00 1.29 H new ATOM 0 HG LEU A 70 7.471 -0.967 -11.294 1.00 1.30 H new ATOM 0 HD11 LEU A 70 6.916 -2.268 -9.256 1.00 1.53 H new ATOM 0 HD12 LEU A 70 6.691 -3.252 -10.722 1.00 1.53 H new ATOM 0 HD13 LEU A 70 8.131 -3.488 -9.704 1.00 1.53 H new ATOM 0 HD21 LEU A 70 8.700 -0.519 -9.186 1.00 1.45 H new ATOM 0 HD22 LEU A 70 9.914 -1.741 -9.634 1.00 1.45 H new ATOM 0 HD23 LEU A 70 9.746 -0.258 -10.602 1.00 1.45 H new ATOM 1097 N GLN A 71 10.993 -2.003 -14.193 1.00 1.42 N ATOM 1098 CA GLN A 71 11.945 -2.510 -15.222 1.00 1.58 C ATOM 1099 C GLN A 71 11.613 -3.964 -15.563 1.00 1.54 C ATOM 1100 O GLN A 71 11.802 -4.407 -16.679 1.00 1.68 O ATOM 1101 CB GLN A 71 13.374 -2.430 -14.681 1.00 1.82 C ATOM 1102 CG GLN A 71 14.361 -2.803 -15.789 1.00 2.20 C ATOM 1103 CD GLN A 71 15.785 -2.792 -15.230 1.00 2.81 C ATOM 1104 OE1 GLN A 71 16.622 -3.563 -15.654 1.00 3.29 O ATOM 1105 NE2 GLN A 71 16.096 -1.942 -14.290 1.00 3.43 N ATOM 0 H GLN A 71 11.425 -1.641 -13.343 1.00 1.42 H new ATOM 0 HA GLN A 71 11.859 -1.899 -16.121 1.00 1.58 H new ATOM 0 HB2 GLN A 71 13.581 -1.423 -14.319 1.00 1.82 H new ATOM 0 HB3 GLN A 71 13.491 -3.104 -13.833 1.00 1.82 H new ATOM 0 HG2 GLN A 71 14.123 -3.790 -16.186 1.00 2.20 H new ATOM 0 HG3 GLN A 71 14.278 -2.098 -16.616 1.00 2.20 H new ATOM 0 HE21 GLN A 71 15.392 -1.295 -13.934 1.00 3.43 H new ATOM 0 HE22 GLN A 71 17.043 -1.925 -13.911 1.00 3.43 H new ATOM 1114 N THR A 72 11.127 -4.713 -14.613 1.00 1.49 N ATOM 1115 CA THR A 72 10.793 -6.139 -14.892 1.00 1.51 C ATOM 1116 C THR A 72 9.711 -6.621 -13.921 1.00 1.39 C ATOM 1117 O THR A 72 9.551 -7.804 -13.694 1.00 1.46 O ATOM 1118 CB THR A 72 12.051 -6.997 -14.719 1.00 1.71 C ATOM 1119 OG1 THR A 72 12.533 -6.873 -13.387 1.00 1.75 O ATOM 1120 CG2 THR A 72 13.129 -6.527 -15.697 1.00 1.85 C ATOM 0 H THR A 72 10.947 -4.402 -13.659 1.00 1.49 H new ATOM 0 HA THR A 72 10.423 -6.229 -15.913 1.00 1.51 H new ATOM 0 HB THR A 72 11.807 -8.040 -14.921 1.00 1.71 H new ATOM 0 HG1 THR A 72 13.336 -7.423 -13.277 1.00 1.75 H new ATOM 0 HG21 THR A 72 14.023 -7.138 -15.574 1.00 1.85 H new ATOM 0 HG22 THR A 72 12.761 -6.625 -16.718 1.00 1.85 H new ATOM 0 HG23 THR A 72 13.372 -5.483 -15.497 1.00 1.85 H new ATOM 1128 N LYS A 73 8.965 -5.717 -13.347 1.00 1.26 N ATOM 1129 CA LYS A 73 7.895 -6.131 -12.394 1.00 1.16 C ATOM 1130 C LYS A 73 6.678 -5.221 -12.566 1.00 1.01 C ATOM 1131 O LYS A 73 6.729 -4.223 -13.256 1.00 1.19 O ATOM 1132 CB LYS A 73 8.415 -6.022 -10.959 1.00 1.22 C ATOM 1133 CG LYS A 73 9.266 -7.250 -10.632 1.00 1.45 C ATOM 1134 CD LYS A 73 10.507 -6.820 -9.848 1.00 2.03 C ATOM 1135 CE LYS A 73 11.527 -7.959 -9.844 1.00 2.42 C ATOM 1136 NZ LYS A 73 12.648 -7.624 -10.768 1.00 3.18 N ATOM 0 H LYS A 73 9.049 -4.711 -13.496 1.00 1.26 H new ATOM 0 HA LYS A 73 7.609 -7.163 -12.598 1.00 1.16 H new ATOM 0 HB2 LYS A 73 9.007 -5.114 -10.843 1.00 1.22 H new ATOM 0 HB3 LYS A 73 7.580 -5.949 -10.262 1.00 1.22 H new ATOM 0 HG2 LYS A 73 8.684 -7.963 -10.049 1.00 1.45 H new ATOM 0 HG3 LYS A 73 9.561 -7.756 -11.551 1.00 1.45 H new ATOM 0 HD2 LYS A 73 10.943 -5.928 -10.298 1.00 2.03 H new ATOM 0 HD3 LYS A 73 10.232 -6.560 -8.826 1.00 2.03 H new ATOM 0 HE2 LYS A 73 11.908 -8.117 -8.835 1.00 2.42 H new ATOM 0 HE3 LYS A 73 11.051 -8.889 -10.154 1.00 2.42 H new ATOM 0 HZ1 LYS A 73 13.272 -8.450 -10.871 1.00 3.18 H new ATOM 0 HZ2 LYS A 73 12.264 -7.362 -11.698 1.00 3.18 H new ATOM 0 HZ3 LYS A 73 13.191 -6.826 -10.380 1.00 3.18 H new ATOM 1150 N THR A 74 5.582 -5.557 -11.944 1.00 0.78 N ATOM 1151 CA THR A 74 4.365 -4.709 -12.076 1.00 0.66 C ATOM 1152 C THR A 74 3.809 -4.393 -10.687 1.00 0.55 C ATOM 1153 O THR A 74 3.249 -5.244 -10.025 1.00 0.57 O ATOM 1154 CB THR A 74 3.306 -5.455 -12.890 1.00 0.70 C ATOM 1155 OG1 THR A 74 3.939 -6.182 -13.934 1.00 0.83 O ATOM 1156 CG2 THR A 74 2.319 -4.452 -13.490 1.00 0.71 C ATOM 0 H THR A 74 5.477 -6.380 -11.351 1.00 0.78 H new ATOM 0 HA THR A 74 4.626 -3.780 -12.584 1.00 0.66 H new ATOM 0 HB THR A 74 2.768 -6.145 -12.240 1.00 0.70 H new ATOM 0 HG1 THR A 74 3.262 -6.662 -14.455 1.00 0.83 H new ATOM 0 HG21 THR A 74 1.565 -4.985 -14.070 1.00 0.71 H new ATOM 0 HG22 THR A 74 1.834 -3.895 -12.688 1.00 0.71 H new ATOM 0 HG23 THR A 74 2.854 -3.760 -14.140 1.00 0.71 H new ATOM 1164 N ILE A 75 3.948 -3.174 -10.246 1.00 0.49 N ATOM 1165 CA ILE A 75 3.412 -2.807 -8.901 1.00 0.43 C ATOM 1166 C ILE A 75 1.966 -2.338 -9.064 1.00 0.40 C ATOM 1167 O ILE A 75 1.550 -1.957 -10.140 1.00 0.46 O ATOM 1168 CB ILE A 75 4.273 -1.696 -8.274 1.00 0.50 C ATOM 1169 CG1 ILE A 75 3.457 -0.913 -7.238 1.00 0.85 C ATOM 1170 CG2 ILE A 75 4.762 -0.744 -9.358 1.00 0.86 C ATOM 1171 CD1 ILE A 75 4.386 0.008 -6.446 1.00 1.34 C ATOM 0 H ILE A 75 4.407 -2.418 -10.754 1.00 0.49 H new ATOM 0 HA ILE A 75 3.442 -3.672 -8.238 1.00 0.43 H new ATOM 0 HB ILE A 75 5.129 -2.156 -7.781 1.00 0.50 H new ATOM 0 HG12 ILE A 75 2.684 -0.327 -7.736 1.00 0.85 H new ATOM 0 HG13 ILE A 75 2.949 -1.602 -6.563 1.00 0.85 H new ATOM 0 HG21 ILE A 75 5.371 0.040 -8.907 1.00 0.86 H new ATOM 0 HG22 ILE A 75 5.360 -1.295 -10.084 1.00 0.86 H new ATOM 0 HG23 ILE A 75 3.906 -0.294 -9.860 1.00 0.86 H new ATOM 0 HD11 ILE A 75 3.806 0.564 -5.710 1.00 1.34 H new ATOM 0 HD12 ILE A 75 5.142 -0.589 -5.936 1.00 1.34 H new ATOM 0 HD13 ILE A 75 4.873 0.706 -7.127 1.00 1.34 H new ATOM 1183 N LYS A 76 1.189 -2.372 -8.015 1.00 0.36 N ATOM 1184 CA LYS A 76 -0.229 -1.935 -8.149 1.00 0.38 C ATOM 1185 C LYS A 76 -0.828 -1.596 -6.781 1.00 0.33 C ATOM 1186 O LYS A 76 -0.737 -2.360 -5.840 1.00 0.34 O ATOM 1187 CB LYS A 76 -1.042 -3.062 -8.787 1.00 0.44 C ATOM 1188 CG LYS A 76 -1.328 -2.715 -10.248 1.00 0.66 C ATOM 1189 CD LYS A 76 -2.374 -3.680 -10.810 1.00 1.02 C ATOM 1190 CE LYS A 76 -3.776 -3.137 -10.525 1.00 1.28 C ATOM 1191 NZ LYS A 76 -4.773 -4.234 -10.679 1.00 1.85 N ATOM 0 H LYS A 76 1.470 -2.679 -7.084 1.00 0.36 H new ATOM 0 HA LYS A 76 -0.261 -1.042 -8.774 1.00 0.38 H new ATOM 0 HB2 LYS A 76 -0.493 -4.002 -8.725 1.00 0.44 H new ATOM 0 HB3 LYS A 76 -1.977 -3.203 -8.245 1.00 0.44 H new ATOM 0 HG2 LYS A 76 -1.687 -1.689 -10.325 1.00 0.66 H new ATOM 0 HG3 LYS A 76 -0.410 -2.776 -10.833 1.00 0.66 H new ATOM 0 HD2 LYS A 76 -2.231 -3.802 -11.884 1.00 1.02 H new ATOM 0 HD3 LYS A 76 -2.255 -4.665 -10.358 1.00 1.02 H new ATOM 0 HE2 LYS A 76 -3.821 -2.729 -9.515 1.00 1.28 H new ATOM 0 HE3 LYS A 76 -4.008 -2.321 -11.210 1.00 1.28 H new ATOM 0 HZ1 LYS A 76 -5.726 -3.866 -10.486 1.00 1.85 H new ATOM 0 HZ2 LYS A 76 -4.735 -4.604 -11.650 1.00 1.85 H new ATOM 0 HZ3 LYS A 76 -4.554 -4.999 -10.009 1.00 1.85 H new ATOM 1205 N VAL A 77 -1.457 -0.456 -6.677 1.00 0.32 N ATOM 1206 CA VAL A 77 -2.089 -0.058 -5.387 1.00 0.31 C ATOM 1207 C VAL A 77 -3.485 -0.677 -5.303 1.00 0.31 C ATOM 1208 O VAL A 77 -4.062 -1.063 -6.300 1.00 0.37 O ATOM 1209 CB VAL A 77 -2.218 1.464 -5.325 1.00 0.33 C ATOM 1210 CG1 VAL A 77 -2.920 1.867 -4.028 1.00 0.45 C ATOM 1211 CG2 VAL A 77 -0.829 2.094 -5.366 1.00 0.35 C ATOM 0 H VAL A 77 -1.560 0.220 -7.434 1.00 0.32 H new ATOM 0 HA VAL A 77 -1.472 -0.406 -4.559 1.00 0.31 H new ATOM 0 HB VAL A 77 -2.802 1.812 -6.177 1.00 0.33 H new ATOM 0 HG11 VAL A 77 -3.011 2.952 -3.986 1.00 0.45 H new ATOM 0 HG12 VAL A 77 -3.913 1.418 -3.997 1.00 0.45 H new ATOM 0 HG13 VAL A 77 -2.337 1.518 -3.175 1.00 0.45 H new ATOM 0 HG21 VAL A 77 -0.920 3.179 -5.322 1.00 0.35 H new ATOM 0 HG22 VAL A 77 -0.245 1.744 -4.515 1.00 0.35 H new ATOM 0 HG23 VAL A 77 -0.328 1.809 -6.291 1.00 0.35 H new ATOM 1221 N SER A 78 -4.037 -0.771 -4.126 1.00 0.33 N ATOM 1222 CA SER A 78 -5.400 -1.364 -3.992 1.00 0.37 C ATOM 1223 C SER A 78 -6.023 -0.937 -2.661 1.00 0.40 C ATOM 1224 O SER A 78 -5.371 -0.921 -1.636 1.00 0.57 O ATOM 1225 CB SER A 78 -5.301 -2.889 -4.047 1.00 0.53 C ATOM 1226 OG SER A 78 -4.799 -3.281 -5.319 1.00 1.08 O ATOM 0 H SER A 78 -3.607 -0.465 -3.253 1.00 0.33 H new ATOM 0 HA SER A 78 -6.028 -1.011 -4.810 1.00 0.37 H new ATOM 0 HB2 SER A 78 -4.644 -3.251 -3.256 1.00 0.53 H new ATOM 0 HB3 SER A 78 -6.281 -3.335 -3.876 1.00 0.53 H new ATOM 0 HG SER A 78 -4.839 -2.520 -5.935 1.00 1.08 H new ATOM 1232 N TYR A 79 -7.285 -0.597 -2.667 1.00 0.37 N ATOM 1233 CA TYR A 79 -7.952 -0.178 -1.401 1.00 0.42 C ATOM 1234 C TYR A 79 -7.829 -1.303 -0.371 1.00 0.52 C ATOM 1235 O TYR A 79 -8.134 -2.446 -0.647 1.00 1.07 O ATOM 1236 CB TYR A 79 -9.430 0.108 -1.672 1.00 0.46 C ATOM 1237 CG TYR A 79 -9.577 1.478 -2.291 1.00 0.47 C ATOM 1238 CD1 TYR A 79 -9.677 2.609 -1.473 1.00 1.39 C ATOM 1239 CD2 TYR A 79 -9.619 1.616 -3.684 1.00 1.23 C ATOM 1240 CE1 TYR A 79 -9.817 3.878 -2.046 1.00 1.48 C ATOM 1241 CE2 TYR A 79 -9.760 2.886 -4.257 1.00 1.28 C ATOM 1242 CZ TYR A 79 -9.859 4.017 -3.438 1.00 0.76 C ATOM 1243 OH TYR A 79 -9.998 5.268 -4.003 1.00 0.96 O ATOM 0 H TYR A 79 -7.882 -0.592 -3.494 1.00 0.37 H new ATOM 0 HA TYR A 79 -7.475 0.724 -1.017 1.00 0.42 H new ATOM 0 HB2 TYR A 79 -9.841 -0.649 -2.340 1.00 0.46 H new ATOM 0 HB3 TYR A 79 -9.997 0.055 -0.743 1.00 0.46 H new ATOM 0 HD1 TYR A 79 -9.646 2.502 -0.399 1.00 1.39 H new ATOM 0 HD2 TYR A 79 -9.543 0.744 -4.316 1.00 1.23 H new ATOM 0 HE1 TYR A 79 -9.893 4.750 -1.414 1.00 1.48 H new ATOM 0 HE2 TYR A 79 -9.792 2.993 -5.331 1.00 1.28 H new ATOM 0 HH TYR A 79 -10.008 5.187 -4.980 1.00 0.96 H new ATOM 1253 N ALA A 80 -7.379 -0.990 0.812 1.00 0.57 N ATOM 1254 CA ALA A 80 -7.228 -2.042 1.855 1.00 0.61 C ATOM 1255 C ALA A 80 -8.606 -2.514 2.324 1.00 0.91 C ATOM 1256 O ALA A 80 -9.302 -1.819 3.037 1.00 1.16 O ATOM 1257 CB ALA A 80 -6.452 -1.471 3.042 1.00 0.68 C ATOM 0 H ALA A 80 -7.109 -0.050 1.102 1.00 0.57 H new ATOM 0 HA ALA A 80 -6.685 -2.889 1.435 1.00 0.61 H new ATOM 0 HB1 ALA A 80 -6.340 -2.239 3.807 1.00 0.68 H new ATOM 0 HB2 ALA A 80 -5.467 -1.144 2.709 1.00 0.68 H new ATOM 0 HB3 ALA A 80 -6.995 -0.622 3.457 1.00 0.68 H new ATOM 1263 N ARG A 81 -8.999 -3.696 1.935 1.00 1.30 N ATOM 1264 CA ARG A 81 -10.326 -4.222 2.362 1.00 1.66 C ATOM 1265 C ARG A 81 -10.125 -5.541 3.115 1.00 1.90 C ATOM 1266 O ARG A 81 -9.101 -6.181 2.978 1.00 2.37 O ATOM 1267 CB ARG A 81 -11.205 -4.463 1.132 1.00 2.35 C ATOM 1268 CG ARG A 81 -10.429 -5.283 0.100 1.00 3.17 C ATOM 1269 CD ARG A 81 -10.011 -4.379 -1.062 1.00 4.36 C ATOM 1270 NE ARG A 81 -10.703 -4.817 -2.306 1.00 5.14 N ATOM 1271 CZ ARG A 81 -12.006 -4.783 -2.375 1.00 6.01 C ATOM 1272 NH1 ARG A 81 -12.621 -3.640 -2.506 1.00 6.37 N ATOM 1273 NH2 ARG A 81 -12.692 -5.890 -2.312 1.00 6.81 N ATOM 0 H ARG A 81 -8.457 -4.321 1.339 1.00 1.30 H new ATOM 0 HA ARG A 81 -10.814 -3.497 3.014 1.00 1.66 H new ATOM 0 HB2 ARG A 81 -12.115 -4.989 1.420 1.00 2.35 H new ATOM 0 HB3 ARG A 81 -11.511 -3.511 0.699 1.00 2.35 H new ATOM 0 HG2 ARG A 81 -9.548 -5.729 0.562 1.00 3.17 H new ATOM 0 HG3 ARG A 81 -11.046 -6.103 -0.267 1.00 3.17 H new ATOM 0 HD2 ARG A 81 -10.263 -3.342 -0.839 1.00 4.36 H new ATOM 0 HD3 ARG A 81 -8.931 -4.422 -1.200 1.00 4.36 H new ATOM 0 HE ARG A 81 -10.159 -5.144 -3.104 1.00 5.14 H new ATOM 0 HH11 ARG A 81 -12.084 -2.774 -2.554 1.00 6.37 H new ATOM 0 HH12 ARG A 81 -13.639 -3.612 -2.560 1.00 6.37 H new ATOM 0 HH21 ARG A 81 -12.210 -6.783 -2.209 1.00 6.81 H new ATOM 0 HH22 ARG A 81 -13.710 -5.863 -2.366 1.00 6.81 H new ATOM 1287 N PRO A 82 -11.112 -5.905 3.892 1.00 2.55 N ATOM 1288 CA PRO A 82 -11.079 -7.144 4.689 1.00 3.47 C ATOM 1289 C PRO A 82 -11.366 -8.358 3.802 1.00 3.66 C ATOM 1290 O PRO A 82 -11.745 -8.226 2.655 1.00 4.07 O ATOM 1291 CB PRO A 82 -12.197 -6.939 5.715 1.00 4.36 C ATOM 1292 CG PRO A 82 -13.157 -5.888 5.108 1.00 4.21 C ATOM 1293 CD PRO A 82 -12.351 -5.117 4.046 1.00 3.13 C ATOM 0 HA PRO A 82 -10.111 -7.331 5.153 1.00 3.47 H new ATOM 0 HB2 PRO A 82 -12.720 -7.875 5.912 1.00 4.36 H new ATOM 0 HB3 PRO A 82 -11.793 -6.593 6.666 1.00 4.36 H new ATOM 0 HG2 PRO A 82 -14.026 -6.370 4.660 1.00 4.21 H new ATOM 0 HG3 PRO A 82 -13.529 -5.212 5.878 1.00 4.21 H new ATOM 0 HD2 PRO A 82 -12.897 -5.045 3.105 1.00 3.13 H new ATOM 0 HD3 PRO A 82 -12.138 -4.098 4.369 1.00 3.13 H new ATOM 1301 N SER A 83 -11.187 -9.540 4.323 1.00 3.86 N ATOM 1302 CA SER A 83 -11.448 -10.760 3.510 1.00 4.40 C ATOM 1303 C SER A 83 -12.815 -10.636 2.832 1.00 4.49 C ATOM 1304 O SER A 83 -13.649 -9.850 3.235 1.00 4.76 O ATOM 1305 CB SER A 83 -11.438 -11.991 4.418 1.00 5.14 C ATOM 1306 OG SER A 83 -12.225 -13.017 3.827 1.00 5.61 O ATOM 0 H SER A 83 -10.871 -9.714 5.277 1.00 3.86 H new ATOM 0 HA SER A 83 -10.673 -10.864 2.751 1.00 4.40 H new ATOM 0 HB2 SER A 83 -10.416 -12.340 4.565 1.00 5.14 H new ATOM 0 HB3 SER A 83 -11.832 -11.735 5.401 1.00 5.14 H new ATOM 0 HG SER A 83 -12.219 -13.808 4.406 1.00 5.61 H new ATOM 1312 N SER A 84 -13.050 -11.406 1.805 1.00 4.66 N ATOM 1313 CA SER A 84 -14.362 -11.335 1.103 1.00 5.07 C ATOM 1314 C SER A 84 -15.477 -11.736 2.070 1.00 5.16 C ATOM 1315 O SER A 84 -16.585 -11.243 1.996 1.00 5.35 O ATOM 1316 CB SER A 84 -14.352 -12.292 -0.090 1.00 5.53 C ATOM 1317 OG SER A 84 -13.008 -12.576 -0.453 1.00 6.16 O ATOM 0 H SER A 84 -12.389 -12.082 1.422 1.00 4.66 H new ATOM 0 HA SER A 84 -14.534 -10.318 0.751 1.00 5.07 H new ATOM 0 HB2 SER A 84 -14.875 -13.214 0.164 1.00 5.53 H new ATOM 0 HB3 SER A 84 -14.882 -11.847 -0.932 1.00 5.53 H new ATOM 0 HG SER A 84 -12.998 -13.191 -1.216 1.00 6.16 H new ATOM 1323 N ALA A 85 -15.192 -12.628 2.978 1.00 5.39 N ATOM 1324 CA ALA A 85 -16.235 -13.061 3.950 1.00 5.81 C ATOM 1325 C ALA A 85 -17.329 -13.837 3.214 1.00 5.96 C ATOM 1326 O ALA A 85 -18.473 -13.431 3.178 1.00 6.19 O ATOM 1327 CB ALA A 85 -16.848 -11.831 4.620 1.00 6.48 C ATOM 0 H ALA A 85 -14.282 -13.076 3.089 1.00 5.39 H new ATOM 0 HA ALA A 85 -15.782 -13.701 4.707 1.00 5.81 H new ATOM 0 HB1 ALA A 85 -17.611 -12.147 5.331 1.00 6.48 H new ATOM 0 HB2 ALA A 85 -16.070 -11.277 5.145 1.00 6.48 H new ATOM 0 HB3 ALA A 85 -17.301 -11.191 3.862 1.00 6.48 H new ATOM 1333 N SER A 86 -16.989 -14.953 2.628 1.00 6.19 N ATOM 1334 CA SER A 86 -18.014 -15.750 1.899 1.00 6.67 C ATOM 1335 C SER A 86 -18.740 -16.663 2.888 1.00 7.00 C ATOM 1336 O SER A 86 -18.537 -16.585 4.083 1.00 7.53 O ATOM 1337 CB SER A 86 -17.333 -16.601 0.826 1.00 7.08 C ATOM 1338 OG SER A 86 -15.922 -16.490 0.964 1.00 7.63 O ATOM 0 H SER A 86 -16.048 -15.346 2.623 1.00 6.19 H new ATOM 0 HA SER A 86 -18.730 -15.078 1.426 1.00 6.67 H new ATOM 0 HB2 SER A 86 -17.639 -17.643 0.923 1.00 7.08 H new ATOM 0 HB3 SER A 86 -17.640 -16.270 -0.166 1.00 7.08 H new ATOM 0 HG SER A 86 -15.482 -17.036 0.279 1.00 7.63 H new ATOM 1344 N ILE A 87 -19.585 -17.529 2.400 1.00 6.97 N ATOM 1345 CA ILE A 87 -20.322 -18.445 3.314 1.00 7.56 C ATOM 1346 C ILE A 87 -20.466 -19.817 2.653 1.00 7.46 C ATOM 1347 O ILE A 87 -19.960 -20.809 3.140 1.00 7.55 O ATOM 1348 CB ILE A 87 -21.708 -17.869 3.605 1.00 8.14 C ATOM 1349 CG1 ILE A 87 -21.561 -16.531 4.335 1.00 8.26 C ATOM 1350 CG2 ILE A 87 -22.492 -18.844 4.484 1.00 8.80 C ATOM 1351 CD1 ILE A 87 -20.926 -16.763 5.708 1.00 8.85 C ATOM 0 H ILE A 87 -19.797 -17.642 1.409 1.00 6.97 H new ATOM 0 HA ILE A 87 -19.770 -18.549 4.248 1.00 7.56 H new ATOM 0 HB ILE A 87 -22.241 -17.716 2.667 1.00 8.14 H new ATOM 0 HG12 ILE A 87 -20.944 -15.851 3.748 1.00 8.26 H new ATOM 0 HG13 ILE A 87 -22.537 -16.058 4.449 1.00 8.26 H new ATOM 0 HG21 ILE A 87 -23.480 -18.433 4.691 1.00 8.80 H new ATOM 0 HG22 ILE A 87 -22.597 -19.797 3.966 1.00 8.80 H new ATOM 0 HG23 ILE A 87 -21.959 -18.998 5.422 1.00 8.80 H new ATOM 0 HD11 ILE A 87 -20.822 -15.810 6.226 1.00 8.85 H new ATOM 0 HD12 ILE A 87 -21.560 -17.428 6.295 1.00 8.85 H new ATOM 0 HD13 ILE A 87 -19.943 -17.217 5.582 1.00 8.85 H new ATOM 1363 N ARG A 88 -21.153 -19.882 1.544 1.00 7.57 N ATOM 1364 CA ARG A 88 -21.329 -21.189 0.850 1.00 7.81 C ATOM 1365 C ARG A 88 -20.338 -21.285 -0.311 1.00 8.49 C ATOM 1366 O ARG A 88 -19.312 -21.921 -0.137 1.00 8.93 O ATOM 1367 CB ARG A 88 -22.754 -21.292 0.307 1.00 7.92 C ATOM 1368 CG ARG A 88 -23.338 -22.658 0.667 1.00 8.06 C ATOM 1369 CD ARG A 88 -24.358 -22.497 1.796 1.00 8.03 C ATOM 1370 NE ARG A 88 -24.235 -23.636 2.748 1.00 8.40 N ATOM 1371 CZ ARG A 88 -24.228 -23.413 4.034 1.00 8.80 C ATOM 1372 NH1 ARG A 88 -23.112 -23.105 4.638 1.00 9.11 N ATOM 1373 NH2 ARG A 88 -25.337 -23.496 4.717 1.00 9.14 N ATOM 1374 OXT ARG A 88 -20.623 -20.719 -1.354 1.00 8.80 O ATOM 0 H ARG A 88 -21.600 -19.086 1.089 1.00 7.57 H new ATOM 0 HA ARG A 88 -21.148 -22.001 1.555 1.00 7.81 H new ATOM 0 HB2 ARG A 88 -23.373 -20.498 0.726 1.00 7.92 H new ATOM 0 HB3 ARG A 88 -22.753 -21.158 -0.775 1.00 7.92 H new ATOM 0 HG2 ARG A 88 -23.814 -23.103 -0.207 1.00 8.06 H new ATOM 0 HG3 ARG A 88 -22.542 -23.335 0.976 1.00 8.06 H new ATOM 0 HD2 ARG A 88 -24.192 -21.554 2.318 1.00 8.03 H new ATOM 0 HD3 ARG A 88 -25.367 -22.461 1.385 1.00 8.03 H new ATOM 0 HE ARG A 88 -24.156 -24.590 2.395 1.00 8.40 H new ATOM 0 HH11 ARG A 88 -22.245 -23.039 4.105 1.00 9.11 H new ATOM 0 HH12 ARG A 88 -23.107 -22.931 5.643 1.00 9.11 H new ATOM 0 HH21 ARG A 88 -26.209 -23.735 4.246 1.00 9.14 H new ATOM 0 HH22 ARG A 88 -25.331 -23.322 5.722 1.00 9.14 H new TER 1388 ARG A 88 END