USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 502 hydrogens (0 hets) HEADER TRANSCRIPTION 18-APR-07 2JP3 TITLE SOLUTION STRUCTURE OF THE HUMAN FXYD4 (CHIF) PROTEIN IN SDS TITLE 2 MICELLES COMPND MOL_ID: 1; COMPND 2 MOLECULE: FXYD DOMAIN-CONTAINING ION TRANSPORT REGULATOR 4; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: CHANNEL- INDUCING FACTOR, CHIF, CORTICOSTEROID- COMPND 5 INDUCED PROTEIN; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: NORWAY RAT; SOURCE 4 ORGANISM_TAXID: 10116; SOURCE 5 GENE: FXYD4; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: C41 (DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR; SOURCE 0 EXPRESSION_SYSTEM_VECTOR: PBCL KEYWDS PROTEIN, TRANSCRIPTION EXPDTA SOLUTION NMR AUTHOR C.M.FRANZIN,P.TERIETE,F.M.MARASSI REVDAT 2 24-FEB-09 2JP3 1 VERSN REVDAT 1 04-MAR-08 2JP3 0 JRNL AUTH C.M.FRANZIN,P.TERIETE,F.M.MARASSI JRNL TITL STRUCTURAL SIMILARITY OF A MEMBRANE PROTEIN IN JRNL TITL 2 MICELLES AND MEMBRANES JRNL REF J.AM.CHEM.SOC. V. 129 8078 2007 JRNL REFN ISSN 0002-7863 JRNL PMID 17567018 JRNL DOI 10.1021/JA0728371 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2JP3 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 20-JUN-07. REMARK 100 THE RCSB ID CODE IS RCSB100111. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 313.15 REMARK 210 PH : 5 REMARK 210 IONIC STRENGTH : 0.52 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1 MM [U-99% 15N] PROTEIN, 90% REMARK 210 H2O/10% D2O; 1 MM [U-99% 13C; REMARK 210 U-99% 15N] PROTEIN, 90% H2O/ REMARK 210 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-15N HSQC, 3D 1H-15N REMARK 210 NOESY, 3D 1H-15N TOCSY, 3D REMARK 210 HNCA, 3D HNCACB REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE 2.3, XWINNMR, SPARKY REMARK 210 3.110 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 PRO A 3 -9.54 -52.48 REMARK 500 ASP A 5 -35.03 75.76 REMARK 500 LYS A 6 7.06 -68.10 REMARK 500 PHE A 10 3.51 -66.30 REMARK 500 GLN A 18 -70.88 -88.19 REMARK 500 SER A 38 1.49 -66.67 REMARK 500 HIS A 47 -172.62 42.76 REMARK 500 SER A 50 -46.65 -142.96 REMARK 500 PRO A 53 7.38 -61.10 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2JOL RELATED DB: PDB REMARK 900 FXYD1 DBREF 2JP3 A 1 67 UNP Q63113 FXYD4_RAT 21 87 SEQADV 2JP3 LEU A 22 UNP Q63113 MET 42 CONFLICT SEQADV 2JP3 LEU A 35 UNP Q63113 MET 55 CONFLICT SEQRES 1 A 67 ASN GLY PRO VAL ASP LYS GLY SER PRO PHE TYR TYR ASP SEQRES 2 A 67 TRP GLU SER LEU GLN LEU GLY GLY LEU ILE PHE GLY GLY SEQRES 3 A 67 LEU LEU CYS ILE ALA GLY ILE ALA LEU ALA LEU SER GLY SEQRES 4 A 67 LYS CYS LYS CYS ARG ARG ASN HIS THR PRO SER SER LEU SEQRES 5 A 67 PRO GLU LYS VAL THR PRO LEU ILE THR PRO GLY SER ALA SEQRES 6 A 67 SER THR HELIX 1 1 SER A 8 ASP A 13 5 6 HELIX 2 2 TRP A 14 SER A 38 1 25 HELIX 3 3 GLY A 39 ASN A 46 1 8 HELIX 4 4 VAL A 56 THR A 61 1 6 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 ASN : amide:sc= -0.0878 K(o=-0.088,f=-0.93) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0548 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 90:sc= 0.151 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -41:sc= 1.15 USER MOD Single : A 40 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.0036) USER MOD Single : A 41 CYS SG : rot 180:sc= -0.133 USER MOD Single : A 42 LYS NZ :NH3+ -154:sc= -1.26 (180deg=-1.94) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -4.06! K(o=-4.1!,f=-2.4) USER MOD Single : A 47 HIS : no HD1:sc= -5.26! C(o=-5.3!,f=-3.8!) USER MOD Single : A 48 THR OG1 : rot 149:sc= 1.45 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 157:sc= -0.305 (180deg=-0.894) USER MOD Single : A 57 THR OG1 : rot -66:sc= -1.73! USER MOD Single : A 61 THR OG1 : rot 45:sc= 1.14 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 7:sc= 0.219 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -20.462 -5.686 30.099 1.00 0.00 N ATOM 2 CA ASN A 1 -20.343 -4.679 29.007 1.00 0.00 C ATOM 3 C ASN A 1 -19.174 -3.746 29.303 1.00 0.00 C ATOM 4 O ASN A 1 -19.068 -3.197 30.400 1.00 0.00 O ATOM 5 CB ASN A 1 -21.641 -3.874 28.915 1.00 0.00 C ATOM 6 CG ASN A 1 -22.690 -4.662 28.138 1.00 0.00 C ATOM 7 OD1 ASN A 1 -22.377 -5.278 27.119 1.00 0.00 O ATOM 8 ND2 ASN A 1 -23.924 -4.681 28.562 1.00 0.00 N ATOM 0 H1 ASN A 1 -21.259 -6.323 29.898 1.00 0.00 H new ATOM 0 H2 ASN A 1 -19.583 -6.239 30.159 1.00 0.00 H new ATOM 0 H3 ASN A 1 -20.627 -5.200 31.003 1.00 0.00 H new ATOM 0 HA ASN A 1 -20.166 -5.185 28.058 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -22.011 -3.649 29.915 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -21.453 -2.920 28.423 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -24.631 -5.207 28.049 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -24.181 -4.170 29.406 1.00 0.00 H new ATOM 17 N GLY A 2 -18.298 -3.571 28.319 1.00 0.00 N ATOM 18 CA GLY A 2 -17.140 -2.700 28.487 1.00 0.00 C ATOM 19 C GLY A 2 -16.419 -2.486 27.161 1.00 0.00 C ATOM 20 O GLY A 2 -15.300 -2.959 26.967 1.00 0.00 O ATOM 0 H GLY A 2 -18.366 -4.017 27.404 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -17.459 -1.739 28.891 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -16.453 -3.138 29.212 1.00 0.00 H new ATOM 24 N PRO A 3 -17.041 -1.782 26.253 1.00 0.00 N ATOM 25 CA PRO A 3 -16.451 -1.494 24.913 1.00 0.00 C ATOM 26 C PRO A 3 -15.052 -0.892 25.022 1.00 0.00 C ATOM 27 O PRO A 3 -14.346 -0.751 24.023 1.00 0.00 O ATOM 28 CB PRO A 3 -17.427 -0.493 24.287 1.00 0.00 C ATOM 29 CG PRO A 3 -18.721 -0.689 25.005 1.00 0.00 C ATOM 30 CD PRO A 3 -18.375 -1.185 26.408 1.00 0.00 C ATOM 0 HA PRO A 3 -16.328 -2.400 24.319 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -17.067 0.529 24.401 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -17.541 -0.673 23.218 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -19.282 0.244 25.052 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -19.348 -1.412 24.483 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -18.366 -0.368 27.130 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -19.101 -1.916 26.764 1.00 0.00 H new ATOM 38 N VAL A 4 -14.662 -0.538 26.242 1.00 0.00 N ATOM 39 CA VAL A 4 -13.347 0.049 26.474 1.00 0.00 C ATOM 40 C VAL A 4 -12.265 -1.025 26.442 1.00 0.00 C ATOM 41 O VAL A 4 -11.134 -0.768 26.028 1.00 0.00 O ATOM 42 CB VAL A 4 -13.328 0.759 27.830 1.00 0.00 C ATOM 43 CG1 VAL A 4 -11.881 1.013 28.256 1.00 0.00 C ATOM 44 CG2 VAL A 4 -14.066 2.094 27.715 1.00 0.00 C ATOM 0 H VAL A 4 -15.233 -0.646 27.080 1.00 0.00 H new ATOM 0 HA VAL A 4 -13.146 0.770 25.682 1.00 0.00 H new ATOM 0 HB VAL A 4 -13.820 0.132 28.574 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -11.869 1.519 29.222 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -11.354 0.063 28.338 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -11.387 1.639 27.513 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -14.053 2.601 28.680 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -13.573 2.719 26.970 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -15.098 1.915 27.413 1.00 0.00 H new ATOM 54 N ASP A 5 -12.618 -2.229 26.880 1.00 0.00 N ATOM 55 CA ASP A 5 -11.667 -3.334 26.896 1.00 0.00 C ATOM 56 C ASP A 5 -10.683 -3.176 28.050 1.00 0.00 C ATOM 57 O ASP A 5 -10.254 -4.161 28.652 1.00 0.00 O ATOM 58 CB ASP A 5 -10.900 -3.384 25.573 1.00 0.00 C ATOM 59 CG ASP A 5 -10.622 -4.833 25.187 1.00 0.00 C ATOM 60 OD1 ASP A 5 -10.413 -5.634 26.083 1.00 0.00 O ATOM 61 OD2 ASP A 5 -10.621 -5.120 24.002 1.00 0.00 O ATOM 0 H ASP A 5 -13.548 -2.463 27.226 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.221 -4.263 27.029 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.478 -2.894 24.789 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.962 -2.837 25.666 1.00 0.00 H new ATOM 66 N LYS A 6 -10.328 -1.931 28.353 1.00 0.00 N ATOM 67 CA LYS A 6 -9.393 -1.657 29.438 1.00 0.00 C ATOM 68 C LYS A 6 -10.021 -1.997 30.786 1.00 0.00 C ATOM 69 O LYS A 6 -9.445 -1.720 31.838 1.00 0.00 O ATOM 70 CB LYS A 6 -8.987 -0.181 29.420 1.00 0.00 C ATOM 71 CG LYS A 6 -7.509 -0.054 29.794 1.00 0.00 C ATOM 72 CD LYS A 6 -7.116 1.424 29.835 1.00 0.00 C ATOM 73 CE LYS A 6 -5.689 1.557 30.369 1.00 0.00 C ATOM 74 NZ LYS A 6 -5.251 2.978 30.268 1.00 0.00 N ATOM 0 H LYS A 6 -10.671 -1.102 27.867 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.509 -2.278 29.294 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.161 0.243 28.431 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.601 0.385 30.121 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.328 -0.516 30.764 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.893 -0.585 29.068 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.184 1.857 28.837 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.807 1.978 30.471 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.645 1.225 31.406 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.015 0.916 29.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.281 3.069 30.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.278 3.280 29.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.888 3.578 30.829 1.00 0.00 H new ATOM 88 N GLY A 7 -11.204 -2.601 30.746 1.00 0.00 N ATOM 89 CA GLY A 7 -11.901 -2.977 31.971 1.00 0.00 C ATOM 90 C GLY A 7 -11.436 -4.345 32.458 1.00 0.00 C ATOM 91 O GLY A 7 -11.139 -4.527 33.639 1.00 0.00 O ATOM 0 H GLY A 7 -11.697 -2.839 29.886 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.719 -2.229 32.743 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.976 -2.995 31.793 1.00 0.00 H new ATOM 95 N SER A 8 -11.373 -5.301 31.538 1.00 0.00 N ATOM 96 CA SER A 8 -10.938 -6.650 31.879 1.00 0.00 C ATOM 97 C SER A 8 -9.471 -6.840 31.502 1.00 0.00 C ATOM 98 O SER A 8 -8.923 -6.071 30.713 1.00 0.00 O ATOM 99 CB SER A 8 -11.798 -7.674 31.138 1.00 0.00 C ATOM 100 OG SER A 8 -12.639 -6.999 30.212 1.00 0.00 O ATOM 0 H SER A 8 -11.616 -5.168 30.556 1.00 0.00 H new ATOM 0 HA SER A 8 -11.049 -6.796 32.953 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.163 -8.389 30.615 1.00 0.00 H new ATOM 0 HB3 SER A 8 -12.400 -8.241 31.847 1.00 0.00 H new ATOM 0 HG SER A 8 -13.191 -7.653 29.734 1.00 0.00 H new ATOM 106 N PRO A 9 -8.829 -7.842 32.045 1.00 0.00 N ATOM 107 CA PRO A 9 -7.395 -8.123 31.749 1.00 0.00 C ATOM 108 C PRO A 9 -7.183 -8.549 30.299 1.00 0.00 C ATOM 109 O PRO A 9 -6.057 -8.556 29.803 1.00 0.00 O ATOM 110 CB PRO A 9 -7.027 -9.254 32.714 1.00 0.00 C ATOM 111 CG PRO A 9 -8.320 -9.892 33.104 1.00 0.00 C ATOM 112 CD PRO A 9 -9.395 -8.811 32.996 1.00 0.00 C ATOM 0 HA PRO A 9 -6.773 -7.238 31.879 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.363 -9.975 32.237 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.502 -8.868 33.588 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.550 -10.732 32.449 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.267 -10.284 34.120 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.338 -9.221 32.635 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.597 -8.350 33.963 1.00 0.00 H new ATOM 120 N PHE A 10 -8.273 -8.899 29.623 1.00 0.00 N ATOM 121 CA PHE A 10 -8.189 -9.319 28.228 1.00 0.00 C ATOM 122 C PHE A 10 -7.750 -8.153 27.349 1.00 0.00 C ATOM 123 O PHE A 10 -7.677 -8.279 26.126 1.00 0.00 O ATOM 124 CB PHE A 10 -9.546 -9.840 27.750 1.00 0.00 C ATOM 125 CG PHE A 10 -9.383 -10.503 26.402 1.00 0.00 C ATOM 126 CD1 PHE A 10 -8.950 -11.832 26.323 1.00 0.00 C ATOM 127 CD2 PHE A 10 -9.661 -9.787 25.231 1.00 0.00 C ATOM 128 CE1 PHE A 10 -8.796 -12.445 25.073 1.00 0.00 C ATOM 129 CE2 PHE A 10 -9.507 -10.400 23.982 1.00 0.00 C ATOM 130 CZ PHE A 10 -9.074 -11.729 23.903 1.00 0.00 C ATOM 0 H PHE A 10 -9.215 -8.901 30.013 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.452 -10.118 28.153 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -9.949 -10.551 28.471 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -10.259 -9.019 27.680 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.735 -12.384 27.226 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -9.994 -8.762 25.292 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.463 -13.470 25.012 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.722 -9.848 23.079 1.00 0.00 H new ATOM 0 HZ PHE A 10 -8.955 -12.202 22.939 1.00 0.00 H new ATOM 140 N TYR A 11 -7.457 -7.020 27.979 1.00 0.00 N ATOM 141 CA TYR A 11 -7.025 -5.838 27.243 1.00 0.00 C ATOM 142 C TYR A 11 -5.579 -5.993 26.785 1.00 0.00 C ATOM 143 O TYR A 11 -5.202 -5.510 25.717 1.00 0.00 O ATOM 144 CB TYR A 11 -7.150 -4.593 28.122 1.00 0.00 C ATOM 145 CG TYR A 11 -5.927 -3.726 27.935 1.00 0.00 C ATOM 146 CD1 TYR A 11 -5.698 -3.102 26.703 1.00 0.00 C ATOM 147 CD2 TYR A 11 -5.020 -3.549 28.988 1.00 0.00 C ATOM 148 CE1 TYR A 11 -4.564 -2.300 26.523 1.00 0.00 C ATOM 149 CE2 TYR A 11 -3.886 -2.747 28.808 1.00 0.00 C ATOM 150 CZ TYR A 11 -3.659 -2.123 27.575 1.00 0.00 C ATOM 151 OH TYR A 11 -2.541 -1.334 27.398 1.00 0.00 O ATOM 0 H TYR A 11 -7.510 -6.896 28.990 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.665 -5.728 26.368 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -8.049 -4.036 27.858 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -7.249 -4.881 29.169 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -6.396 -3.239 25.891 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -5.195 -4.031 29.938 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -4.388 -1.818 25.572 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -3.187 -2.610 29.620 1.00 0.00 H new ATOM 0 HH TYR A 11 -2.019 -1.316 28.227 1.00 0.00 H new ATOM 161 N TYR A 12 -4.773 -6.669 27.598 1.00 0.00 N ATOM 162 CA TYR A 12 -3.370 -6.878 27.260 1.00 0.00 C ATOM 163 C TYR A 12 -3.248 -7.647 25.948 1.00 0.00 C ATOM 164 O TYR A 12 -2.144 -7.893 25.462 1.00 0.00 O ATOM 165 CB TYR A 12 -2.665 -7.652 28.378 1.00 0.00 C ATOM 166 CG TYR A 12 -3.062 -7.086 29.725 1.00 0.00 C ATOM 167 CD1 TYR A 12 -2.834 -5.733 30.011 1.00 0.00 C ATOM 168 CD2 TYR A 12 -3.656 -7.913 30.690 1.00 0.00 C ATOM 169 CE1 TYR A 12 -3.200 -5.208 31.256 1.00 0.00 C ATOM 170 CE2 TYR A 12 -4.022 -7.386 31.935 1.00 0.00 C ATOM 171 CZ TYR A 12 -3.793 -6.034 32.217 1.00 0.00 C ATOM 172 OH TYR A 12 -4.154 -5.515 33.444 1.00 0.00 O ATOM 0 H TYR A 12 -5.063 -7.077 28.486 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.895 -5.904 27.146 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.930 -8.708 28.325 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.584 -7.588 28.251 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.375 -5.095 29.270 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.831 -8.956 30.473 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.025 -4.165 31.475 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.481 -8.022 32.677 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.553 -6.222 33.993 1.00 0.00 H new ATOM 182 N ASP A 13 -4.389 -8.021 25.378 1.00 0.00 N ATOM 183 CA ASP A 13 -4.398 -8.756 24.120 1.00 0.00 C ATOM 184 C ASP A 13 -4.167 -7.807 22.948 1.00 0.00 C ATOM 185 O ASP A 13 -4.310 -8.191 21.787 1.00 0.00 O ATOM 186 CB ASP A 13 -5.738 -9.473 23.943 1.00 0.00 C ATOM 187 CG ASP A 13 -5.693 -10.362 22.705 1.00 0.00 C ATOM 188 OD1 ASP A 13 -4.734 -11.104 22.568 1.00 0.00 O ATOM 189 OD2 ASP A 13 -6.617 -10.289 21.912 1.00 0.00 O ATOM 0 H ASP A 13 -5.313 -7.829 25.765 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.594 -9.492 24.143 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.958 -10.074 24.825 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.541 -8.742 23.847 1.00 0.00 H new ATOM 194 N TRP A 14 -3.812 -6.565 23.263 1.00 0.00 N ATOM 195 CA TRP A 14 -3.566 -5.565 22.232 1.00 0.00 C ATOM 196 C TRP A 14 -2.259 -5.854 21.502 1.00 0.00 C ATOM 197 O TRP A 14 -2.074 -5.438 20.360 1.00 0.00 O ATOM 198 CB TRP A 14 -3.502 -4.172 22.860 1.00 0.00 C ATOM 199 CG TRP A 14 -2.125 -3.928 23.391 1.00 0.00 C ATOM 200 CD1 TRP A 14 -1.471 -4.737 24.256 1.00 0.00 C ATOM 201 CD2 TRP A 14 -1.226 -2.816 23.110 1.00 0.00 C ATOM 202 NE1 TRP A 14 -0.228 -4.192 24.523 1.00 0.00 N ATOM 203 CE2 TRP A 14 -0.030 -3.008 23.841 1.00 0.00 C ATOM 204 CE3 TRP A 14 -1.332 -1.671 22.301 1.00 0.00 C ATOM 205 CZ2 TRP A 14 1.024 -2.097 23.771 1.00 0.00 C ATOM 206 CZ3 TRP A 14 -0.273 -0.752 22.228 1.00 0.00 C ATOM 207 CH2 TRP A 14 0.903 -0.964 22.962 1.00 0.00 C ATOM 0 H TRP A 14 -3.689 -6.229 24.218 1.00 0.00 H new ATOM 0 HA TRP A 14 -4.386 -5.604 21.514 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.757 -3.415 22.118 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -4.233 -4.090 23.664 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -1.856 -5.657 24.670 1.00 0.00 H new ATOM 0 HE1 TRP A 14 0.459 -4.614 25.148 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -2.234 -1.497 21.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 1.927 -2.266 24.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -0.365 0.124 21.603 1.00 0.00 H new ATOM 0 HH2 TRP A 14 1.714 -0.253 22.902 1.00 0.00 H new ATOM 218 N GLU A 15 -1.357 -6.568 22.170 1.00 0.00 N ATOM 219 CA GLU A 15 -0.067 -6.907 21.575 1.00 0.00 C ATOM 220 C GLU A 15 -0.234 -7.285 20.107 1.00 0.00 C ATOM 221 O GLU A 15 0.706 -7.182 19.318 1.00 0.00 O ATOM 222 CB GLU A 15 0.573 -8.074 22.330 1.00 0.00 C ATOM 223 CG GLU A 15 -0.178 -8.315 23.641 1.00 0.00 C ATOM 224 CD GLU A 15 0.520 -9.405 24.447 1.00 0.00 C ATOM 225 OE1 GLU A 15 1.732 -9.337 24.574 1.00 0.00 O ATOM 226 OE2 GLU A 15 -0.167 -10.292 24.927 1.00 0.00 O ATOM 0 H GLU A 15 -1.494 -6.921 23.117 1.00 0.00 H new ATOM 0 HA GLU A 15 0.579 -6.032 21.644 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.549 -8.974 21.715 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.621 -7.856 22.535 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.220 -7.393 24.221 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.207 -8.608 23.432 1.00 0.00 H new ATOM 233 N SER A 16 -1.436 -7.723 19.748 1.00 0.00 N ATOM 234 CA SER A 16 -1.717 -8.115 18.372 1.00 0.00 C ATOM 235 C SER A 16 -1.562 -6.923 17.434 1.00 0.00 C ATOM 236 O SER A 16 -1.062 -7.061 16.317 1.00 0.00 O ATOM 237 CB SER A 16 -3.136 -8.673 18.268 1.00 0.00 C ATOM 238 OG SER A 16 -3.298 -9.721 19.213 1.00 0.00 O ATOM 0 H SER A 16 -2.226 -7.815 20.386 1.00 0.00 H new ATOM 0 HA SER A 16 -1.004 -8.886 18.079 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.864 -7.884 18.455 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.320 -9.045 17.260 1.00 0.00 H new ATOM 0 HG SER A 16 -3.613 -9.349 20.063 1.00 0.00 H new ATOM 244 N LEU A 17 -1.985 -5.751 17.896 1.00 0.00 N ATOM 245 CA LEU A 17 -1.877 -4.541 17.089 1.00 0.00 C ATOM 246 C LEU A 17 -0.423 -4.342 16.668 1.00 0.00 C ATOM 247 O LEU A 17 -0.130 -3.621 15.714 1.00 0.00 O ATOM 248 CB LEU A 17 -2.434 -3.340 17.897 1.00 0.00 C ATOM 249 CG LEU A 17 -1.505 -2.109 17.869 1.00 0.00 C ATOM 250 CD1 LEU A 17 -2.261 -0.913 18.451 1.00 0.00 C ATOM 251 CD2 LEU A 17 -0.253 -2.358 18.724 1.00 0.00 C ATOM 0 H LEU A 17 -2.402 -5.613 18.817 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.469 -4.627 16.178 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.409 -3.061 17.497 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.590 -3.647 18.931 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.202 -1.917 16.840 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.617 -0.034 18.438 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.151 -0.719 17.853 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.554 -1.133 19.478 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.390 -1.479 18.692 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.549 -2.554 19.755 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.289 -3.219 18.333 1.00 0.00 H new ATOM 263 N GLN A 18 0.483 -5.000 17.384 1.00 0.00 N ATOM 264 CA GLN A 18 1.905 -4.901 17.080 1.00 0.00 C ATOM 265 C GLN A 18 2.313 -5.950 16.050 1.00 0.00 C ATOM 266 O GLN A 18 2.598 -5.622 14.898 1.00 0.00 O ATOM 267 CB GLN A 18 2.722 -5.092 18.356 1.00 0.00 C ATOM 268 CG GLN A 18 4.152 -4.606 18.123 1.00 0.00 C ATOM 269 CD GLN A 18 4.968 -4.760 19.400 1.00 0.00 C ATOM 270 OE1 GLN A 18 5.696 -5.739 19.558 1.00 0.00 O ATOM 271 NE2 GLN A 18 4.889 -3.847 20.329 1.00 0.00 N ATOM 0 H GLN A 18 0.259 -5.604 18.175 1.00 0.00 H new ATOM 0 HA GLN A 18 2.100 -3.912 16.665 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.268 -4.538 19.178 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.726 -6.143 18.644 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.612 -5.177 17.316 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.144 -3.562 17.810 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.285 -3.036 20.197 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.431 -3.945 21.187 1.00 0.00 H new ATOM 280 N LEU A 19 2.332 -7.213 16.465 1.00 0.00 N ATOM 281 CA LEU A 19 2.700 -8.293 15.558 1.00 0.00 C ATOM 282 C LEU A 19 1.867 -8.207 14.286 1.00 0.00 C ATOM 283 O LEU A 19 2.379 -8.385 13.181 1.00 0.00 O ATOM 284 CB LEU A 19 2.475 -9.648 16.233 1.00 0.00 C ATOM 285 CG LEU A 19 3.444 -9.801 17.407 1.00 0.00 C ATOM 286 CD1 LEU A 19 2.733 -10.496 18.568 1.00 0.00 C ATOM 287 CD2 LEU A 19 4.645 -10.644 16.970 1.00 0.00 C ATOM 0 H LEU A 19 2.100 -7.511 17.412 1.00 0.00 H new ATOM 0 HA LEU A 19 3.755 -8.195 15.304 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.446 -9.725 16.585 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.627 -10.454 15.515 1.00 0.00 H new ATOM 0 HG LEU A 19 3.786 -8.816 17.726 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.423 -10.605 19.404 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.876 -9.899 18.880 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.392 -11.481 18.249 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.336 -10.754 17.806 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.302 -11.628 16.651 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.153 -10.151 16.141 1.00 0.00 H new ATOM 299 N GLY A 20 0.580 -7.918 14.454 1.00 0.00 N ATOM 300 CA GLY A 20 -0.320 -7.794 13.314 1.00 0.00 C ATOM 301 C GLY A 20 -0.066 -6.482 12.583 1.00 0.00 C ATOM 302 O GLY A 20 -0.277 -6.380 11.374 1.00 0.00 O ATOM 0 H GLY A 20 0.140 -7.766 15.362 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.173 -8.632 12.633 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.355 -7.836 13.653 1.00 0.00 H new ATOM 306 N GLY A 21 0.396 -5.480 13.327 1.00 0.00 N ATOM 307 CA GLY A 21 0.687 -4.178 12.741 1.00 0.00 C ATOM 308 C GLY A 21 1.677 -4.324 11.592 1.00 0.00 C ATOM 309 O GLY A 21 1.511 -3.719 10.533 1.00 0.00 O ATOM 0 H GLY A 21 0.575 -5.545 14.329 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.234 -3.720 12.380 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.097 -3.513 13.501 1.00 0.00 H new ATOM 313 N LEU A 22 2.704 -5.141 11.808 1.00 0.00 N ATOM 314 CA LEU A 22 3.711 -5.370 10.781 1.00 0.00 C ATOM 315 C LEU A 22 3.071 -6.016 9.558 1.00 0.00 C ATOM 316 O LEU A 22 3.389 -5.668 8.421 1.00 0.00 O ATOM 317 CB LEU A 22 4.819 -6.272 11.325 1.00 0.00 C ATOM 318 CG LEU A 22 5.715 -5.464 12.266 1.00 0.00 C ATOM 319 CD1 LEU A 22 6.153 -6.343 13.438 1.00 0.00 C ATOM 320 CD2 LEU A 22 6.950 -4.982 11.501 1.00 0.00 C ATOM 0 H LEU A 22 2.859 -5.651 12.678 1.00 0.00 H new ATOM 0 HA LEU A 22 4.143 -4.412 10.492 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.385 -7.119 11.856 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.409 -6.679 10.503 1.00 0.00 H new ATOM 0 HG LEU A 22 5.162 -4.605 12.646 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.791 -5.766 14.107 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.274 -6.688 13.983 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.707 -7.203 13.061 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.590 -4.406 12.169 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.502 -5.842 11.122 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.639 -4.354 10.666 1.00 0.00 H new ATOM 332 N ILE A 23 2.154 -6.949 9.802 1.00 0.00 N ATOM 333 CA ILE A 23 1.461 -7.626 8.715 1.00 0.00 C ATOM 334 C ILE A 23 0.483 -6.663 8.052 1.00 0.00 C ATOM 335 O ILE A 23 0.288 -6.698 6.837 1.00 0.00 O ATOM 336 CB ILE A 23 0.710 -8.851 9.251 1.00 0.00 C ATOM 337 CG1 ILE A 23 1.663 -10.048 9.296 1.00 0.00 C ATOM 338 CG2 ILE A 23 -0.472 -9.183 8.335 1.00 0.00 C ATOM 339 CD1 ILE A 23 2.924 -9.671 10.075 1.00 0.00 C ATOM 0 H ILE A 23 1.877 -7.250 10.736 1.00 0.00 H new ATOM 0 HA ILE A 23 2.192 -7.958 7.978 1.00 0.00 H new ATOM 0 HB ILE A 23 0.338 -8.633 10.252 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.172 -10.899 9.769 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.927 -10.354 8.284 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.000 -10.054 8.723 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.153 -8.333 8.298 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.105 -9.398 7.331 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.601 -10.524 10.106 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.418 -8.833 9.584 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.652 -9.386 11.091 1.00 0.00 H new ATOM 351 N PHE A 24 -0.120 -5.795 8.859 1.00 0.00 N ATOM 352 CA PHE A 24 -1.065 -4.818 8.336 1.00 0.00 C ATOM 353 C PHE A 24 -0.476 -4.141 7.106 1.00 0.00 C ATOM 354 O PHE A 24 -1.131 -4.031 6.069 1.00 0.00 O ATOM 355 CB PHE A 24 -1.381 -3.766 9.402 1.00 0.00 C ATOM 356 CG PHE A 24 -2.613 -2.993 8.998 1.00 0.00 C ATOM 357 CD1 PHE A 24 -3.874 -3.595 9.076 1.00 0.00 C ATOM 358 CD2 PHE A 24 -2.495 -1.673 8.543 1.00 0.00 C ATOM 359 CE1 PHE A 24 -5.017 -2.879 8.700 1.00 0.00 C ATOM 360 CE2 PHE A 24 -3.638 -0.957 8.168 1.00 0.00 C ATOM 361 CZ PHE A 24 -4.899 -1.560 8.246 1.00 0.00 C ATOM 0 H PHE A 24 0.028 -5.749 9.867 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.987 -5.331 8.061 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.541 -4.247 10.367 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.536 -3.088 9.520 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.966 -4.612 9.426 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.522 -1.208 8.482 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.990 -3.344 8.760 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.547 0.061 7.818 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.781 -1.008 7.956 1.00 0.00 H new ATOM 371 N GLY A 25 0.772 -3.700 7.227 1.00 0.00 N ATOM 372 CA GLY A 25 1.451 -3.049 6.116 1.00 0.00 C ATOM 373 C GLY A 25 1.591 -4.015 4.948 1.00 0.00 C ATOM 374 O GLY A 25 1.325 -3.662 3.799 1.00 0.00 O ATOM 0 H GLY A 25 1.329 -3.781 8.077 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.891 -2.168 5.804 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.435 -2.705 6.433 1.00 0.00 H new ATOM 378 N GLY A 26 2.001 -5.242 5.255 1.00 0.00 N ATOM 379 CA GLY A 26 2.163 -6.261 4.227 1.00 0.00 C ATOM 380 C GLY A 26 0.824 -6.571 3.571 1.00 0.00 C ATOM 381 O GLY A 26 0.755 -6.844 2.373 1.00 0.00 O ATOM 0 H GLY A 26 2.225 -5.552 6.201 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.873 -5.918 3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.578 -7.168 4.667 1.00 0.00 H new ATOM 385 N LEU A 27 -0.242 -6.512 4.365 1.00 0.00 N ATOM 386 CA LEU A 27 -1.578 -6.774 3.847 1.00 0.00 C ATOM 387 C LEU A 27 -2.018 -5.618 2.959 1.00 0.00 C ATOM 388 O LEU A 27 -2.457 -5.821 1.828 1.00 0.00 O ATOM 389 CB LEU A 27 -2.569 -6.947 5.003 1.00 0.00 C ATOM 390 CG LEU A 27 -3.928 -7.419 4.463 1.00 0.00 C ATOM 391 CD1 LEU A 27 -3.815 -8.830 3.867 1.00 0.00 C ATOM 392 CD2 LEU A 27 -4.946 -7.436 5.605 1.00 0.00 C ATOM 0 H LEU A 27 -0.206 -6.287 5.359 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.557 -7.693 3.261 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.182 -7.671 5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.688 -6.003 5.536 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.251 -6.732 3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.788 -9.145 3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.094 -8.823 3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.482 -9.525 4.638 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.912 -7.770 5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.606 -8.117 6.385 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.046 -6.432 6.018 1.00 0.00 H new ATOM 404 N LEU A 28 -1.876 -4.399 3.475 1.00 0.00 N ATOM 405 CA LEU A 28 -2.241 -3.215 2.710 1.00 0.00 C ATOM 406 C LEU A 28 -1.610 -3.308 1.326 1.00 0.00 C ATOM 407 O LEU A 28 -2.268 -3.073 0.312 1.00 0.00 O ATOM 408 CB LEU A 28 -1.781 -1.952 3.475 1.00 0.00 C ATOM 409 CG LEU A 28 -1.208 -0.868 2.540 1.00 0.00 C ATOM 410 CD1 LEU A 28 -2.221 -0.502 1.448 1.00 0.00 C ATOM 411 CD2 LEU A 28 -0.906 0.385 3.368 1.00 0.00 C ATOM 0 H LEU A 28 -1.515 -4.209 4.410 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.322 -3.150 2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.625 -1.540 4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.024 -2.231 4.208 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.303 -1.251 2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.796 0.264 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.455 -1.388 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.132 -0.122 1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.500 1.161 2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.824 0.744 3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.179 0.143 4.143 1.00 0.00 H new ATOM 423 N CYS A 29 -0.333 -3.678 1.296 1.00 0.00 N ATOM 424 CA CYS A 29 0.378 -3.825 0.034 1.00 0.00 C ATOM 425 C CYS A 29 -0.359 -4.813 -0.862 1.00 0.00 C ATOM 426 O CYS A 29 -0.716 -4.491 -1.996 1.00 0.00 O ATOM 427 CB CYS A 29 1.802 -4.324 0.289 1.00 0.00 C ATOM 428 SG CYS A 29 2.971 -2.962 0.055 1.00 0.00 S ATOM 0 H CYS A 29 0.226 -3.880 2.125 1.00 0.00 H new ATOM 0 HA CYS A 29 0.424 -2.855 -0.461 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.885 -4.718 1.302 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.039 -5.142 -0.391 1.00 0.00 H new ATOM 0 HG CYS A 29 4.180 -3.386 0.274 1.00 0.00 H new ATOM 434 N ILE A 30 -0.597 -6.013 -0.339 1.00 0.00 N ATOM 435 CA ILE A 30 -1.309 -7.034 -1.097 1.00 0.00 C ATOM 436 C ILE A 30 -2.585 -6.438 -1.677 1.00 0.00 C ATOM 437 O ILE A 30 -3.065 -6.865 -2.728 1.00 0.00 O ATOM 438 CB ILE A 30 -1.646 -8.222 -0.187 1.00 0.00 C ATOM 439 CG1 ILE A 30 -0.453 -9.187 -0.149 1.00 0.00 C ATOM 440 CG2 ILE A 30 -2.890 -8.951 -0.708 1.00 0.00 C ATOM 441 CD1 ILE A 30 -0.551 -10.196 -1.298 1.00 0.00 C ATOM 0 H ILE A 30 -0.310 -6.299 0.597 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.676 -7.387 -1.911 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.852 -7.857 0.819 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.479 -8.627 -0.225 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.432 -9.713 0.806 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.119 -9.792 -0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.735 -8.263 -0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.701 -9.317 -1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.301 -10.875 -1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.474 -10.767 -1.203 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.549 -9.665 -2.250 1.00 0.00 H new ATOM 453 N ALA A 31 -3.121 -5.436 -0.986 1.00 0.00 N ATOM 454 CA ALA A 31 -4.334 -4.769 -1.438 1.00 0.00 C ATOM 455 C ALA A 31 -3.992 -3.749 -2.517 1.00 0.00 C ATOM 456 O ALA A 31 -4.799 -3.470 -3.404 1.00 0.00 O ATOM 457 CB ALA A 31 -5.016 -4.067 -0.263 1.00 0.00 C ATOM 0 H ALA A 31 -2.735 -5.071 -0.115 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.014 -5.515 -1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.922 -3.571 -0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.275 -4.802 0.499 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.338 -3.327 0.162 1.00 0.00 H new ATOM 463 N GLY A 32 -2.783 -3.202 -2.436 1.00 0.00 N ATOM 464 CA GLY A 32 -2.331 -2.220 -3.413 1.00 0.00 C ATOM 465 C GLY A 32 -2.160 -2.872 -4.779 1.00 0.00 C ATOM 466 O GLY A 32 -2.717 -2.409 -5.774 1.00 0.00 O ATOM 0 H GLY A 32 -2.103 -3.421 -1.708 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.052 -1.405 -3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.386 -1.784 -3.090 1.00 0.00 H new ATOM 470 N ILE A 33 -1.392 -3.957 -4.818 1.00 0.00 N ATOM 471 CA ILE A 33 -1.165 -4.672 -6.067 1.00 0.00 C ATOM 472 C ILE A 33 -2.491 -5.150 -6.647 1.00 0.00 C ATOM 473 O ILE A 33 -2.708 -5.093 -7.858 1.00 0.00 O ATOM 474 CB ILE A 33 -0.249 -5.874 -5.829 1.00 0.00 C ATOM 475 CG1 ILE A 33 -0.131 -6.682 -7.124 1.00 0.00 C ATOM 476 CG2 ILE A 33 -0.837 -6.762 -4.730 1.00 0.00 C ATOM 477 CD1 ILE A 33 1.120 -7.561 -7.067 1.00 0.00 C ATOM 0 H ILE A 33 -0.921 -4.357 -4.006 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.688 -3.992 -6.773 1.00 0.00 H new ATOM 0 HB ILE A 33 0.736 -5.523 -5.521 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.017 -7.302 -7.260 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.077 -6.010 -7.980 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.182 -7.617 -4.564 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.926 -6.188 -3.808 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.822 -7.114 -5.035 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.203 -8.136 -7.989 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.002 -6.931 -6.951 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.047 -8.243 -6.220 1.00 0.00 H new ATOM 489 N ALA A 34 -3.376 -5.618 -5.772 1.00 0.00 N ATOM 490 CA ALA A 34 -4.682 -6.101 -6.203 1.00 0.00 C ATOM 491 C ALA A 34 -5.365 -5.067 -7.090 1.00 0.00 C ATOM 492 O ALA A 34 -5.782 -5.373 -8.208 1.00 0.00 O ATOM 493 CB ALA A 34 -5.559 -6.391 -4.984 1.00 0.00 C ATOM 0 H ALA A 34 -3.214 -5.673 -4.767 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.541 -7.019 -6.774 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.533 -6.751 -5.314 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.082 -7.151 -4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.688 -5.478 -4.403 1.00 0.00 H new ATOM 499 N LEU A 35 -5.471 -3.841 -6.588 1.00 0.00 N ATOM 500 CA LEU A 35 -6.100 -2.769 -7.348 1.00 0.00 C ATOM 501 C LEU A 35 -5.412 -2.609 -8.698 1.00 0.00 C ATOM 502 O LEU A 35 -6.061 -2.356 -9.713 1.00 0.00 O ATOM 503 CB LEU A 35 -6.016 -1.454 -6.568 1.00 0.00 C ATOM 504 CG LEU A 35 -7.294 -0.642 -6.789 1.00 0.00 C ATOM 505 CD1 LEU A 35 -7.193 0.686 -6.037 1.00 0.00 C ATOM 506 CD2 LEU A 35 -7.471 -0.368 -8.285 1.00 0.00 C ATOM 0 H LEU A 35 -5.132 -3.567 -5.666 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.147 -3.024 -7.510 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.882 -1.658 -5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.148 -0.881 -6.894 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.150 -1.205 -6.417 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.104 1.264 -6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.066 0.492 -4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.337 1.250 -6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.381 0.210 -8.444 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.614 0.195 -8.656 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.544 -1.314 -8.822 1.00 0.00 H new ATOM 518 N ALA A 36 -4.091 -2.761 -8.701 1.00 0.00 N ATOM 519 CA ALA A 36 -3.319 -2.636 -9.932 1.00 0.00 C ATOM 520 C ALA A 36 -3.785 -3.663 -10.958 1.00 0.00 C ATOM 521 O ALA A 36 -3.915 -3.355 -12.143 1.00 0.00 O ATOM 522 CB ALA A 36 -1.832 -2.841 -9.639 1.00 0.00 C ATOM 0 H ALA A 36 -3.536 -2.969 -7.871 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.473 -1.636 -10.338 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.263 -2.746 -10.564 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.495 -2.089 -8.926 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.678 -3.835 -9.218 1.00 0.00 H new ATOM 528 N LEU A 37 -4.035 -4.884 -10.495 1.00 0.00 N ATOM 529 CA LEU A 37 -4.487 -5.949 -11.383 1.00 0.00 C ATOM 530 C LEU A 37 -5.614 -5.452 -12.283 1.00 0.00 C ATOM 531 O LEU A 37 -5.663 -5.778 -13.469 1.00 0.00 O ATOM 532 CB LEU A 37 -4.975 -7.144 -10.558 1.00 0.00 C ATOM 533 CG LEU A 37 -4.623 -8.447 -11.280 1.00 0.00 C ATOM 534 CD1 LEU A 37 -5.141 -9.638 -10.471 1.00 0.00 C ATOM 535 CD2 LEU A 37 -5.273 -8.452 -12.666 1.00 0.00 C ATOM 0 H LEU A 37 -3.933 -5.159 -9.518 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.649 -6.258 -12.008 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.515 -7.129 -9.570 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.053 -7.079 -10.409 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.541 -8.523 -11.384 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.890 -10.565 -10.986 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.680 -9.635 -9.483 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.223 -9.563 -10.366 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.023 -9.379 -13.182 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.355 -8.375 -12.561 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.904 -7.605 -13.244 1.00 0.00 H new ATOM 547 N SER A 38 -6.516 -4.660 -11.712 1.00 0.00 N ATOM 548 CA SER A 38 -7.636 -4.122 -12.476 1.00 0.00 C ATOM 549 C SER A 38 -7.135 -3.144 -13.534 1.00 0.00 C ATOM 550 O SER A 38 -7.924 -2.554 -14.273 1.00 0.00 O ATOM 551 CB SER A 38 -8.613 -3.410 -11.541 1.00 0.00 C ATOM 552 OG SER A 38 -8.070 -2.151 -11.166 1.00 0.00 O ATOM 0 H SER A 38 -6.494 -4.378 -10.732 1.00 0.00 H new ATOM 0 HA SER A 38 -8.147 -4.948 -12.971 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.574 -3.272 -12.037 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.796 -4.019 -10.655 1.00 0.00 H new ATOM 0 HG SER A 38 -7.111 -2.248 -10.989 1.00 0.00 H new ATOM 558 N GLY A 39 -5.817 -2.980 -13.598 1.00 0.00 N ATOM 559 CA GLY A 39 -5.210 -2.073 -14.566 1.00 0.00 C ATOM 560 C GLY A 39 -4.020 -2.733 -15.254 1.00 0.00 C ATOM 561 O GLY A 39 -3.277 -2.085 -15.991 1.00 0.00 O ATOM 0 H GLY A 39 -5.151 -3.461 -12.993 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.950 -1.780 -15.311 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.886 -1.162 -14.064 1.00 0.00 H new ATOM 565 N LYS A 40 -3.846 -4.028 -15.009 1.00 0.00 N ATOM 566 CA LYS A 40 -2.744 -4.769 -15.611 1.00 0.00 C ATOM 567 C LYS A 40 -3.177 -5.383 -16.938 1.00 0.00 C ATOM 568 O LYS A 40 -2.419 -5.389 -17.908 1.00 0.00 O ATOM 569 CB LYS A 40 -2.277 -5.875 -14.662 1.00 0.00 C ATOM 570 CG LYS A 40 -0.913 -6.398 -15.120 1.00 0.00 C ATOM 571 CD LYS A 40 0.200 -5.605 -14.430 1.00 0.00 C ATOM 572 CE LYS A 40 0.514 -6.238 -13.073 1.00 0.00 C ATOM 573 NZ LYS A 40 1.427 -7.400 -13.267 1.00 0.00 N ATOM 0 H LYS A 40 -4.450 -4.583 -14.402 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.921 -4.078 -15.793 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.208 -5.491 -13.644 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.004 -6.687 -14.647 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.820 -7.457 -14.881 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.822 -6.306 -16.202 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.094 -5.595 -15.054 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.107 -4.568 -14.297 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.978 -5.503 -12.415 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.407 -6.562 -12.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.363 -8.033 -12.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.151 -7.919 -14.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.405 -7.060 -13.367 1.00 0.00 H new ATOM 587 N CYS A 41 -4.402 -5.898 -16.973 1.00 0.00 N ATOM 588 CA CYS A 41 -4.929 -6.512 -18.186 1.00 0.00 C ATOM 589 C CYS A 41 -4.816 -5.550 -19.365 1.00 0.00 C ATOM 590 O CYS A 41 -4.533 -5.962 -20.490 1.00 0.00 O ATOM 591 CB CYS A 41 -6.394 -6.899 -17.980 1.00 0.00 C ATOM 592 SG CYS A 41 -7.284 -5.512 -17.232 1.00 0.00 S ATOM 0 H CYS A 41 -5.044 -5.903 -16.181 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.344 -7.406 -18.403 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.849 -7.165 -18.934 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.463 -7.778 -17.339 1.00 0.00 H new ATOM 0 HG CYS A 41 -8.530 -5.839 -17.058 1.00 0.00 H new ATOM 598 N LYS A 42 -5.040 -4.269 -19.098 1.00 0.00 N ATOM 599 CA LYS A 42 -4.963 -3.254 -20.142 1.00 0.00 C ATOM 600 C LYS A 42 -3.510 -2.913 -20.457 1.00 0.00 C ATOM 601 O LYS A 42 -3.136 -2.759 -21.620 1.00 0.00 O ATOM 602 CB LYS A 42 -5.697 -1.989 -19.691 1.00 0.00 C ATOM 603 CG LYS A 42 -5.045 -1.452 -18.416 1.00 0.00 C ATOM 604 CD LYS A 42 -5.983 -0.447 -17.744 1.00 0.00 C ATOM 605 CE LYS A 42 -6.350 0.655 -18.738 1.00 0.00 C ATOM 606 NZ LYS A 42 -5.135 1.065 -19.498 1.00 0.00 N ATOM 0 H LYS A 42 -5.275 -3.910 -18.173 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.433 -3.650 -21.042 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.661 -1.234 -20.477 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.749 -2.210 -19.510 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.826 -2.273 -17.734 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.095 -0.974 -18.655 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.884 -0.952 -17.396 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.501 -0.014 -16.867 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.118 0.299 -19.424 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.767 1.512 -18.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.245 2.046 -19.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.300 0.997 -18.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.011 0.438 -20.318 1.00 0.00 H new ATOM 620 N CYS A 43 -2.696 -2.792 -19.413 1.00 0.00 N ATOM 621 CA CYS A 43 -1.286 -2.464 -19.588 1.00 0.00 C ATOM 622 C CYS A 43 -0.551 -3.587 -20.313 1.00 0.00 C ATOM 623 O CYS A 43 0.561 -3.396 -20.805 1.00 0.00 O ATOM 624 CB CYS A 43 -0.634 -2.223 -18.225 1.00 0.00 C ATOM 625 SG CYS A 43 -0.276 -0.459 -18.031 1.00 0.00 S ATOM 0 H CYS A 43 -2.986 -2.915 -18.443 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.220 -1.559 -20.191 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -1.297 -2.560 -17.428 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.285 -2.803 -18.142 1.00 0.00 H new ATOM 0 HG CYS A 43 0.276 -0.253 -16.872 1.00 0.00 H new ATOM 631 N ARG A 44 -1.177 -4.758 -20.375 1.00 0.00 N ATOM 632 CA ARG A 44 -0.567 -5.901 -21.044 1.00 0.00 C ATOM 633 C ARG A 44 -0.660 -5.748 -22.559 1.00 0.00 C ATOM 634 O ARG A 44 0.232 -6.174 -23.292 1.00 0.00 O ATOM 635 CB ARG A 44 -1.265 -7.193 -20.616 1.00 0.00 C ATOM 636 CG ARG A 44 -0.834 -7.560 -19.194 1.00 0.00 C ATOM 637 CD ARG A 44 0.381 -8.488 -19.252 1.00 0.00 C ATOM 638 NE ARG A 44 1.101 -8.454 -17.984 1.00 0.00 N ATOM 639 CZ ARG A 44 2.372 -8.835 -17.906 1.00 0.00 C ATOM 640 NH1 ARG A 44 2.996 -9.247 -18.975 1.00 0.00 N ATOM 641 NH2 ARG A 44 2.995 -8.797 -16.760 1.00 0.00 N ATOM 0 H ARG A 44 -2.097 -4.939 -19.974 1.00 0.00 H new ATOM 0 HA ARG A 44 0.484 -5.945 -20.758 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.347 -7.065 -20.658 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.012 -8.000 -21.304 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.590 -6.658 -18.633 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.654 -8.050 -18.669 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.060 -9.507 -19.469 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.043 -8.183 -20.063 1.00 0.00 H new ATOM 0 HE ARG A 44 0.621 -8.133 -17.143 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.509 -9.277 -19.870 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.971 -9.539 -18.915 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.507 -8.475 -15.924 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.970 -9.089 -16.700 1.00 0.00 H new ATOM 655 N ARG A 45 -1.747 -5.135 -23.018 1.00 0.00 N ATOM 656 CA ARG A 45 -1.954 -4.925 -24.447 1.00 0.00 C ATOM 657 C ARG A 45 -1.706 -3.465 -24.810 1.00 0.00 C ATOM 658 O ARG A 45 -1.438 -3.140 -25.967 1.00 0.00 O ATOM 659 CB ARG A 45 -3.383 -5.314 -24.828 1.00 0.00 C ATOM 660 CG ARG A 45 -4.084 -5.925 -23.614 1.00 0.00 C ATOM 661 CD ARG A 45 -5.488 -6.385 -24.010 1.00 0.00 C ATOM 662 NE ARG A 45 -5.435 -7.720 -24.593 1.00 0.00 N ATOM 663 CZ ARG A 45 -6.544 -8.420 -24.810 1.00 0.00 C ATOM 664 NH1 ARG A 45 -7.706 -7.914 -24.498 1.00 0.00 N ATOM 665 NH2 ARG A 45 -6.472 -9.613 -25.334 1.00 0.00 N ATOM 0 H ARG A 45 -2.495 -4.776 -22.424 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.250 -5.550 -24.997 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.930 -4.437 -25.175 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.370 -6.028 -25.652 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.507 -6.769 -23.235 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.144 -5.192 -22.809 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.138 -6.388 -23.135 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.920 -5.685 -24.725 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.531 -8.124 -24.839 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.763 -6.982 -24.088 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.557 -8.451 -24.664 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.564 -10.009 -25.577 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.324 -10.149 -25.500 1.00 0.00 H new ATOM 679 N ASN A 46 -1.797 -2.591 -23.812 1.00 0.00 N ATOM 680 CA ASN A 46 -1.580 -1.164 -24.031 1.00 0.00 C ATOM 681 C ASN A 46 -0.213 -0.744 -23.504 1.00 0.00 C ATOM 682 O ASN A 46 0.517 -0.010 -24.170 1.00 0.00 O ATOM 683 CB ASN A 46 -2.671 -0.356 -23.326 1.00 0.00 C ATOM 684 CG ASN A 46 -4.046 -0.860 -23.748 1.00 0.00 C ATOM 685 OD1 ASN A 46 -4.885 -0.077 -24.194 1.00 0.00 O ATOM 686 ND2 ASN A 46 -4.329 -2.129 -23.636 1.00 0.00 N ATOM 0 H ASN A 46 -2.018 -2.843 -22.849 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.619 -0.969 -25.103 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.559 -0.443 -22.245 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.570 0.701 -23.573 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.247 -2.474 -23.918 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.633 -2.776 -23.266 1.00 0.00 H new ATOM 693 N HIS A 47 0.128 -1.229 -22.307 1.00 0.00 N ATOM 694 CA HIS A 47 1.412 -0.914 -21.673 1.00 0.00 C ATOM 695 C HIS A 47 1.754 0.571 -21.834 1.00 0.00 C ATOM 696 O HIS A 47 0.929 1.358 -22.299 1.00 0.00 O ATOM 697 CB HIS A 47 2.541 -1.796 -22.247 1.00 0.00 C ATOM 698 CG HIS A 47 2.151 -2.352 -23.590 1.00 0.00 C ATOM 699 ND1 HIS A 47 1.551 -3.594 -23.733 1.00 0.00 N ATOM 700 CD2 HIS A 47 2.266 -1.844 -24.860 1.00 0.00 C ATOM 701 CE1 HIS A 47 1.329 -3.788 -25.046 1.00 0.00 C ATOM 702 NE2 HIS A 47 1.746 -2.751 -25.777 1.00 0.00 N ATOM 0 H HIS A 47 -0.470 -1.844 -21.755 1.00 0.00 H new ATOM 0 HA HIS A 47 1.320 -1.128 -20.608 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.455 -1.209 -22.342 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.757 -2.613 -21.558 1.00 0.00 H new ATOM 0 HD2 HIS A 47 2.695 -0.885 -25.109 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.870 -4.674 -25.458 1.00 0.00 H new ATOM 0 HE2 HIS A 47 1.694 -2.647 -26.790 1.00 0.00 H new ATOM 711 N THR A 48 2.969 0.950 -21.432 1.00 0.00 N ATOM 712 CA THR A 48 3.402 2.342 -21.531 1.00 0.00 C ATOM 713 C THR A 48 4.379 2.514 -22.702 1.00 0.00 C ATOM 714 O THR A 48 5.073 1.566 -23.070 1.00 0.00 O ATOM 715 CB THR A 48 4.089 2.767 -20.230 1.00 0.00 C ATOM 716 OG1 THR A 48 5.473 2.970 -20.474 1.00 0.00 O ATOM 717 CG2 THR A 48 3.910 1.675 -19.175 1.00 0.00 C ATOM 0 H THR A 48 3.665 0.317 -21.038 1.00 0.00 H new ATOM 0 HA THR A 48 2.526 2.967 -21.702 1.00 0.00 H new ATOM 0 HB THR A 48 3.643 3.693 -19.868 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.812 3.667 -19.875 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.400 1.979 -18.250 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.847 1.519 -18.989 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.355 0.747 -19.533 1.00 0.00 H new ATOM 725 N PRO A 49 4.461 3.689 -23.293 1.00 0.00 N ATOM 726 CA PRO A 49 5.390 3.944 -24.437 1.00 0.00 C ATOM 727 C PRO A 49 6.840 4.117 -23.987 1.00 0.00 C ATOM 728 O PRO A 49 7.659 4.671 -24.720 1.00 0.00 O ATOM 729 CB PRO A 49 4.862 5.248 -25.032 1.00 0.00 C ATOM 730 CG PRO A 49 4.267 5.976 -23.876 1.00 0.00 C ATOM 731 CD PRO A 49 3.687 4.903 -22.955 1.00 0.00 C ATOM 0 HA PRO A 49 5.409 3.110 -25.139 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.663 5.825 -25.494 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.118 5.058 -25.806 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.021 6.568 -23.358 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.491 6.667 -24.207 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.804 5.172 -21.905 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.621 4.759 -23.131 1.00 0.00 H new ATOM 739 N SER A 50 7.154 3.658 -22.780 1.00 0.00 N ATOM 740 CA SER A 50 8.513 3.794 -22.263 1.00 0.00 C ATOM 741 C SER A 50 8.925 2.570 -21.447 1.00 0.00 C ATOM 742 O SER A 50 10.026 2.045 -21.613 1.00 0.00 O ATOM 743 CB SER A 50 8.607 5.044 -21.388 1.00 0.00 C ATOM 744 OG SER A 50 8.639 6.197 -22.218 1.00 0.00 O ATOM 0 H SER A 50 6.499 3.196 -22.150 1.00 0.00 H new ATOM 0 HA SER A 50 9.190 3.881 -23.113 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.754 5.093 -20.711 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.503 5.002 -20.769 1.00 0.00 H new ATOM 0 HG SER A 50 8.698 7.000 -21.660 1.00 0.00 H new ATOM 750 N SER A 51 8.043 2.134 -20.556 1.00 0.00 N ATOM 751 CA SER A 51 8.332 0.984 -19.703 1.00 0.00 C ATOM 752 C SER A 51 8.468 -0.305 -20.513 1.00 0.00 C ATOM 753 O SER A 51 9.202 -1.213 -20.121 1.00 0.00 O ATOM 754 CB SER A 51 7.216 0.814 -18.671 1.00 0.00 C ATOM 755 OG SER A 51 7.789 0.539 -17.399 1.00 0.00 O ATOM 0 H SER A 51 7.126 2.555 -20.404 1.00 0.00 H new ATOM 0 HA SER A 51 9.283 1.174 -19.205 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.610 1.719 -18.622 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.552 0.002 -18.967 1.00 0.00 H new ATOM 0 HG SER A 51 7.076 0.431 -16.735 1.00 0.00 H new ATOM 761 N LEU A 52 7.751 -0.394 -21.629 1.00 0.00 N ATOM 762 CA LEU A 52 7.802 -1.596 -22.457 1.00 0.00 C ATOM 763 C LEU A 52 9.008 -1.595 -23.420 1.00 0.00 C ATOM 764 O LEU A 52 9.769 -2.561 -23.419 1.00 0.00 O ATOM 765 CB LEU A 52 6.456 -1.785 -23.200 1.00 0.00 C ATOM 766 CG LEU A 52 6.450 -3.037 -24.116 1.00 0.00 C ATOM 767 CD1 LEU A 52 7.320 -2.837 -25.367 1.00 0.00 C ATOM 768 CD2 LEU A 52 6.955 -4.261 -23.345 1.00 0.00 C ATOM 0 H LEU A 52 7.135 0.340 -21.978 1.00 0.00 H new ATOM 0 HA LEU A 52 7.952 -2.454 -21.801 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.651 -1.870 -22.470 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.249 -0.899 -23.801 1.00 0.00 H new ATOM 0 HG LEU A 52 5.420 -3.195 -24.436 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.288 -3.737 -25.980 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.941 -1.992 -25.942 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.349 -2.639 -25.067 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.946 -5.133 -23.999 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.972 -4.078 -22.998 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.307 -4.444 -22.488 1.00 0.00 H new ATOM 780 N PRO A 53 9.233 -0.575 -24.240 1.00 0.00 N ATOM 781 CA PRO A 53 10.406 -0.579 -25.175 1.00 0.00 C ATOM 782 C PRO A 53 11.746 -0.649 -24.442 1.00 0.00 C ATOM 783 O PRO A 53 12.804 -0.524 -25.059 1.00 0.00 O ATOM 784 CB PRO A 53 10.283 0.741 -25.944 1.00 0.00 C ATOM 785 CG PRO A 53 9.426 1.608 -25.091 1.00 0.00 C ATOM 786 CD PRO A 53 8.446 0.671 -24.397 1.00 0.00 C ATOM 0 HA PRO A 53 10.391 -1.457 -25.820 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.261 1.194 -26.109 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.834 0.585 -26.925 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.025 2.155 -24.363 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.899 2.349 -25.692 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.121 1.067 -23.435 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.549 0.510 -24.995 1.00 0.00 H new ATOM 794 N GLU A 54 11.699 -0.848 -23.128 1.00 0.00 N ATOM 795 CA GLU A 54 12.924 -0.928 -22.337 1.00 0.00 C ATOM 796 C GLU A 54 13.598 -2.285 -22.524 1.00 0.00 C ATOM 797 O GLU A 54 14.822 -2.370 -22.631 1.00 0.00 O ATOM 798 CB GLU A 54 12.607 -0.714 -20.855 1.00 0.00 C ATOM 799 CG GLU A 54 13.903 -0.776 -20.043 1.00 0.00 C ATOM 800 CD GLU A 54 13.638 -0.346 -18.604 1.00 0.00 C ATOM 801 OE1 GLU A 54 12.498 -0.436 -18.179 1.00 0.00 O ATOM 802 OE2 GLU A 54 14.580 0.068 -17.948 1.00 0.00 O ATOM 0 H GLU A 54 10.837 -0.956 -22.593 1.00 0.00 H new ATOM 0 HA GLU A 54 13.604 -0.147 -22.679 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.121 0.251 -20.712 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.910 -1.477 -20.507 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.305 -1.789 -20.060 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.655 -0.127 -20.492 1.00 0.00 H new ATOM 809 N LYS A 55 12.794 -3.343 -22.561 1.00 0.00 N ATOM 810 CA LYS A 55 13.329 -4.690 -22.735 1.00 0.00 C ATOM 811 C LYS A 55 13.494 -5.006 -24.217 1.00 0.00 C ATOM 812 O LYS A 55 14.096 -6.016 -24.582 1.00 0.00 O ATOM 813 CB LYS A 55 12.396 -5.724 -22.094 1.00 0.00 C ATOM 814 CG LYS A 55 10.970 -5.164 -22.022 1.00 0.00 C ATOM 815 CD LYS A 55 10.828 -4.180 -20.850 1.00 0.00 C ATOM 816 CE LYS A 55 9.974 -4.814 -19.750 1.00 0.00 C ATOM 817 NZ LYS A 55 10.519 -6.158 -19.410 1.00 0.00 N ATOM 0 H LYS A 55 11.779 -3.296 -22.474 1.00 0.00 H new ATOM 0 HA LYS A 55 14.302 -4.736 -22.247 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.405 -6.646 -22.676 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.749 -5.975 -21.094 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.725 -4.660 -22.957 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.259 -5.982 -21.904 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.811 -3.921 -20.458 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.368 -3.253 -21.193 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.970 -4.177 -18.865 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.940 -4.903 -20.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.220 -6.421 -18.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.160 -6.860 -20.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.558 -6.133 -19.454 1.00 0.00 H new ATOM 831 N VAL A 56 12.954 -4.131 -25.062 1.00 0.00 N ATOM 832 CA VAL A 56 13.042 -4.313 -26.507 1.00 0.00 C ATOM 833 C VAL A 56 13.992 -3.287 -27.117 1.00 0.00 C ATOM 834 O VAL A 56 14.152 -3.224 -28.336 1.00 0.00 O ATOM 835 CB VAL A 56 11.655 -4.162 -27.134 1.00 0.00 C ATOM 836 CG1 VAL A 56 11.559 -5.039 -28.385 1.00 0.00 C ATOM 837 CG2 VAL A 56 10.592 -4.597 -26.122 1.00 0.00 C ATOM 0 H VAL A 56 12.453 -3.292 -24.771 1.00 0.00 H new ATOM 0 HA VAL A 56 13.426 -5.313 -26.709 1.00 0.00 H new ATOM 0 HB VAL A 56 11.492 -3.120 -27.411 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.570 -4.930 -28.831 1.00 0.00 H new ATOM 0 HG12 VAL A 56 12.317 -4.730 -29.105 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.721 -6.082 -28.112 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.602 -4.491 -26.566 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.756 -5.639 -25.847 1.00 0.00 H new ATOM 0 HG23 VAL A 56 10.660 -3.972 -25.232 1.00 0.00 H new ATOM 847 N THR A 57 14.619 -2.483 -26.261 1.00 0.00 N ATOM 848 CA THR A 57 15.549 -1.460 -26.729 1.00 0.00 C ATOM 849 C THR A 57 16.844 -2.091 -27.241 1.00 0.00 C ATOM 850 O THR A 57 17.359 -1.696 -28.287 1.00 0.00 O ATOM 851 CB THR A 57 15.866 -0.477 -25.597 1.00 0.00 C ATOM 852 OG1 THR A 57 15.157 -0.861 -24.427 1.00 0.00 O ATOM 853 CG2 THR A 57 15.446 0.935 -26.008 1.00 0.00 C ATOM 0 H THR A 57 14.501 -2.520 -25.248 1.00 0.00 H new ATOM 0 HA THR A 57 15.076 -0.924 -27.552 1.00 0.00 H new ATOM 0 HB THR A 57 16.937 -0.490 -25.396 1.00 0.00 H new ATOM 0 HG1 THR A 57 14.194 -0.760 -24.580 1.00 0.00 H new ATOM 0 HG21 THR A 57 15.673 1.632 -25.201 1.00 0.00 H new ATOM 0 HG22 THR A 57 15.990 1.230 -26.905 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.375 0.951 -26.211 1.00 0.00 H new ATOM 861 N PRO A 58 17.378 -3.054 -26.533 1.00 0.00 N ATOM 862 CA PRO A 58 18.642 -3.740 -26.937 1.00 0.00 C ATOM 863 C PRO A 58 18.508 -4.430 -28.292 1.00 0.00 C ATOM 864 O PRO A 58 19.478 -4.543 -29.041 1.00 0.00 O ATOM 865 CB PRO A 58 18.890 -4.770 -25.827 1.00 0.00 C ATOM 866 CG PRO A 58 18.029 -4.353 -24.681 1.00 0.00 C ATOM 867 CD PRO A 58 16.845 -3.597 -25.276 1.00 0.00 C ATOM 0 HA PRO A 58 19.464 -3.033 -27.050 1.00 0.00 H new ATOM 0 HB2 PRO A 58 18.634 -5.775 -26.162 1.00 0.00 H new ATOM 0 HB3 PRO A 58 19.941 -4.788 -25.539 1.00 0.00 H new ATOM 0 HG2 PRO A 58 17.690 -5.221 -24.116 1.00 0.00 H new ATOM 0 HG3 PRO A 58 18.585 -3.720 -23.989 1.00 0.00 H new ATOM 0 HD2 PRO A 58 15.996 -4.257 -25.453 1.00 0.00 H new ATOM 0 HD3 PRO A 58 16.500 -2.805 -24.611 1.00 0.00 H new ATOM 875 N LEU A 59 17.299 -4.891 -28.597 1.00 0.00 N ATOM 876 CA LEU A 59 17.048 -5.570 -29.863 1.00 0.00 C ATOM 877 C LEU A 59 16.669 -4.565 -30.947 1.00 0.00 C ATOM 878 O LEU A 59 16.822 -4.836 -32.138 1.00 0.00 O ATOM 879 CB LEU A 59 15.921 -6.593 -29.691 1.00 0.00 C ATOM 880 CG LEU A 59 15.668 -7.307 -31.020 1.00 0.00 C ATOM 881 CD1 LEU A 59 15.526 -8.811 -30.773 1.00 0.00 C ATOM 882 CD2 LEU A 59 14.379 -6.772 -31.649 1.00 0.00 C ATOM 0 H LEU A 59 16.484 -4.808 -27.990 1.00 0.00 H new ATOM 0 HA LEU A 59 17.961 -6.083 -30.167 1.00 0.00 H new ATOM 0 HB2 LEU A 59 16.189 -7.318 -28.922 1.00 0.00 H new ATOM 0 HB3 LEU A 59 15.012 -6.094 -29.356 1.00 0.00 H new ATOM 0 HG LEU A 59 16.505 -7.126 -31.694 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.346 -9.320 -31.720 1.00 0.00 H new ATOM 0 HD12 LEU A 59 16.442 -9.194 -30.324 1.00 0.00 H new ATOM 0 HD13 LEU A 59 14.689 -8.992 -30.099 1.00 0.00 H new ATOM 0 HD21 LEU A 59 14.198 -7.280 -32.596 1.00 0.00 H new ATOM 0 HD22 LEU A 59 13.542 -6.953 -30.974 1.00 0.00 H new ATOM 0 HD23 LEU A 59 14.477 -5.701 -31.825 1.00 0.00 H new ATOM 894 N ILE A 60 16.174 -3.405 -30.528 1.00 0.00 N ATOM 895 CA ILE A 60 15.777 -2.367 -31.474 1.00 0.00 C ATOM 896 C ILE A 60 16.899 -1.349 -31.654 1.00 0.00 C ATOM 897 O ILE A 60 17.004 -0.704 -32.697 1.00 0.00 O ATOM 898 CB ILE A 60 14.516 -1.659 -30.973 1.00 0.00 C ATOM 899 CG1 ILE A 60 13.290 -2.515 -31.302 1.00 0.00 C ATOM 900 CG2 ILE A 60 14.384 -0.296 -31.658 1.00 0.00 C ATOM 901 CD1 ILE A 60 12.075 -1.985 -30.539 1.00 0.00 C ATOM 0 H ILE A 60 16.039 -3.160 -29.547 1.00 0.00 H new ATOM 0 HA ILE A 60 15.571 -2.837 -32.436 1.00 0.00 H new ATOM 0 HB ILE A 60 14.585 -1.516 -29.895 1.00 0.00 H new ATOM 0 HG12 ILE A 60 13.096 -2.494 -32.374 1.00 0.00 H new ATOM 0 HG13 ILE A 60 13.477 -3.554 -31.032 1.00 0.00 H new ATOM 0 HG21 ILE A 60 13.485 0.206 -31.299 1.00 0.00 H new ATOM 0 HG22 ILE A 60 15.257 0.314 -31.426 1.00 0.00 H new ATOM 0 HG23 ILE A 60 14.315 -0.436 -32.737 1.00 0.00 H new ATOM 0 HD11 ILE A 60 11.203 -2.595 -30.774 1.00 0.00 H new ATOM 0 HD12 ILE A 60 12.271 -2.029 -29.468 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.884 -0.952 -30.831 1.00 0.00 H new ATOM 913 N THR A 61 17.736 -1.212 -30.631 1.00 0.00 N ATOM 914 CA THR A 61 18.848 -0.269 -30.688 1.00 0.00 C ATOM 915 C THR A 61 20.081 -0.861 -29.998 1.00 0.00 C ATOM 916 O THR A 61 19.954 -1.755 -29.161 1.00 0.00 O ATOM 917 CB THR A 61 18.449 1.039 -29.998 1.00 0.00 C ATOM 918 OG1 THR A 61 17.376 0.788 -29.102 1.00 0.00 O ATOM 919 CG2 THR A 61 18.009 2.063 -31.047 1.00 0.00 C ATOM 0 H THR A 61 17.667 -1.737 -29.759 1.00 0.00 H new ATOM 0 HA THR A 61 19.090 -0.070 -31.732 1.00 0.00 H new ATOM 0 HB THR A 61 19.303 1.434 -29.447 1.00 0.00 H new ATOM 0 HG1 THR A 61 17.560 -0.028 -28.591 1.00 0.00 H new ATOM 0 HG21 THR A 61 17.726 2.992 -30.552 1.00 0.00 H new ATOM 0 HG22 THR A 61 18.832 2.255 -31.736 1.00 0.00 H new ATOM 0 HG23 THR A 61 17.155 1.672 -31.601 1.00 0.00 H new ATOM 927 N PRO A 62 21.262 -0.390 -30.325 1.00 0.00 N ATOM 928 CA PRO A 62 22.520 -0.896 -29.713 1.00 0.00 C ATOM 929 C PRO A 62 22.352 -1.216 -28.229 1.00 0.00 C ATOM 930 O PRO A 62 22.455 -2.372 -27.818 1.00 0.00 O ATOM 931 CB PRO A 62 23.498 0.257 -29.920 1.00 0.00 C ATOM 932 CG PRO A 62 23.039 0.947 -31.164 1.00 0.00 C ATOM 933 CD PRO A 62 21.537 0.675 -31.307 1.00 0.00 C ATOM 0 HA PRO A 62 22.852 -1.832 -30.162 1.00 0.00 H new ATOM 0 HB2 PRO A 62 23.490 0.937 -29.068 1.00 0.00 H new ATOM 0 HB3 PRO A 62 24.519 -0.108 -30.027 1.00 0.00 H new ATOM 0 HG2 PRO A 62 23.232 2.018 -31.103 1.00 0.00 H new ATOM 0 HG3 PRO A 62 23.582 0.575 -32.033 1.00 0.00 H new ATOM 0 HD2 PRO A 62 20.950 1.569 -31.098 1.00 0.00 H new ATOM 0 HD3 PRO A 62 21.285 0.357 -32.319 1.00 0.00 H new ATOM 941 N GLY A 63 22.093 -0.185 -27.432 1.00 0.00 N ATOM 942 CA GLY A 63 21.913 -0.368 -25.996 1.00 0.00 C ATOM 943 C GLY A 63 23.252 -0.325 -25.269 1.00 0.00 C ATOM 944 O GLY A 63 23.330 -0.612 -24.074 1.00 0.00 O ATOM 0 H GLY A 63 22.003 0.779 -27.752 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.258 0.411 -25.606 1.00 0.00 H new ATOM 0 HA3 GLY A 63 21.422 -1.322 -25.806 1.00 0.00 H new ATOM 948 N SER A 64 24.304 0.036 -25.997 1.00 0.00 N ATOM 949 CA SER A 64 25.637 0.114 -25.410 1.00 0.00 C ATOM 950 C SER A 64 26.006 1.563 -25.110 1.00 0.00 C ATOM 951 O SER A 64 25.645 2.472 -25.857 1.00 0.00 O ATOM 952 CB SER A 64 26.664 -0.489 -26.367 1.00 0.00 C ATOM 953 OG SER A 64 26.315 -1.840 -26.640 1.00 0.00 O ATOM 0 H SER A 64 24.260 0.277 -26.987 1.00 0.00 H new ATOM 0 HA SER A 64 25.637 -0.449 -24.477 1.00 0.00 H new ATOM 0 HB2 SER A 64 26.696 0.085 -27.293 1.00 0.00 H new ATOM 0 HB3 SER A 64 27.660 -0.440 -25.927 1.00 0.00 H new ATOM 0 HG SER A 64 26.971 -2.229 -27.255 1.00 0.00 H new ATOM 959 N ALA A 65 26.729 1.770 -24.014 1.00 0.00 N ATOM 960 CA ALA A 65 27.142 3.113 -23.626 1.00 0.00 C ATOM 961 C ALA A 65 28.246 3.622 -24.548 1.00 0.00 C ATOM 962 O ALA A 65 28.504 4.823 -24.619 1.00 0.00 O ATOM 963 CB ALA A 65 27.643 3.109 -22.181 1.00 0.00 C ATOM 0 H ALA A 65 27.039 1.031 -23.383 1.00 0.00 H new ATOM 0 HA ALA A 65 26.280 3.775 -23.709 1.00 0.00 H new ATOM 0 HB1 ALA A 65 27.950 4.116 -21.899 1.00 0.00 H new ATOM 0 HB2 ALA A 65 26.844 2.775 -21.520 1.00 0.00 H new ATOM 0 HB3 ALA A 65 28.493 2.433 -22.093 1.00 0.00 H new ATOM 969 N SER A 66 28.894 2.699 -25.251 1.00 0.00 N ATOM 970 CA SER A 66 29.969 3.065 -26.166 1.00 0.00 C ATOM 971 C SER A 66 29.858 2.276 -27.466 1.00 0.00 C ATOM 972 O SER A 66 28.812 1.701 -27.767 1.00 0.00 O ATOM 973 CB SER A 66 31.324 2.791 -25.515 1.00 0.00 C ATOM 974 OG SER A 66 31.132 2.499 -24.137 1.00 0.00 O ATOM 0 H SER A 66 28.696 1.699 -25.206 1.00 0.00 H new ATOM 0 HA SER A 66 29.883 4.128 -26.391 1.00 0.00 H new ATOM 0 HB2 SER A 66 31.816 1.954 -26.011 1.00 0.00 H new ATOM 0 HB3 SER A 66 31.976 3.657 -25.628 1.00 0.00 H new ATOM 0 HG SER A 66 31.999 2.321 -23.716 1.00 0.00 H new ATOM 980 N THR A 67 30.943 2.253 -28.233 1.00 0.00 N ATOM 981 CA THR A 67 30.956 1.530 -29.500 1.00 0.00 C ATOM 982 C THR A 67 29.761 1.932 -30.358 1.00 0.00 C ATOM 983 O THR A 67 29.304 3.054 -30.215 1.00 0.00 O ATOM 984 CB THR A 67 30.918 0.022 -29.242 1.00 0.00 C ATOM 985 OG1 THR A 67 29.672 -0.324 -28.654 1.00 0.00 O ATOM 986 CG2 THR A 67 32.056 -0.364 -28.296 1.00 0.00 C ATOM 987 OXT THR A 67 29.319 1.111 -31.146 1.00 0.00 O ATOM 0 H THR A 67 31.819 2.723 -28.002 1.00 0.00 H new ATOM 0 HA THR A 67 31.873 1.784 -30.032 1.00 0.00 H new ATOM 0 HB THR A 67 31.036 -0.512 -30.185 1.00 0.00 H new ATOM 0 HG1 THR A 67 29.081 0.458 -28.656 1.00 0.00 H new ATOM 0 HG21 THR A 67 32.028 -1.438 -28.113 1.00 0.00 H new ATOM 0 HG22 THR A 67 33.011 -0.098 -28.748 1.00 0.00 H new ATOM 0 HG23 THR A 67 31.941 0.168 -27.352 1.00 0.00 H new TER 995 THR A 67 END