USER MOD reduce.3.24.130724 H: found=0, std=0, add=315, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER PLANT SEED PROTEIN 14-APR-93 1CCN TITLE DIRECT NOE REFINEMENT OF CRAMBIN FROM 2D NMR DATA USING A TITLE 2 SLOW-COOLING ANNEALING PROTOCOL COMPND MOL_ID: 1; COMPND 2 MOLECULE: CRAMBIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CRAMBE HISPANICA SUBSP. ABYSSINICA; SOURCE 3 ORGANISM_TAXID: 3721; SOURCE 4 STRAIN: SUBSP. ABYSSINICA KEYWDS PLANT SEED PROTEIN EXPDTA SOLUTION NMR AUTHOR A.M.J.J.BONVIN,J.A.C.RULLMANN,R.M.J.N.LAMERICHS,R.BOELENS, AUTHOR 2 R.KAPTEIN REVDAT 4 24-FEB-09 1CCN 1 VERSN REVDAT 3 01-APR-03 1CCN 1 JRNL REVDAT 2 31-JAN-94 1CCN 1 REMARK REVDAT 1 31-OCT-93 1CCN 0 JRNL AUTH A.M.J.J.BONVIN,R.BOELENS,R.KAPTEIN JRNL TITL DIRECT NOE REFINEMENT OF BIOMOLECULAR STRUCTURES JRNL TITL 2 USING 2D NMR DATA JRNL REF J.BIOMOL.NMR V. 1 305 1991 JRNL REFN ISSN 0925-2738 JRNL PMID 1841701 JRNL DOI 10.1007/BF01875523 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH A.M.J.J.BONVIN,J.A.C.RULLMANN,R.M.J.N.LAMERICHS, REMARK 1 AUTH 2 R.BOELENS,R.KAPTEIN REMARK 1 TITL "ENSEMBLE" ITERATIVE RELAXATION MATRIX APPROACH: A REMARK 1 TITL 2 NEW NMR REFINEMENT PROTOCOL APPLIED TO THE REMARK 1 TITL 3 SOLUTION STRUCTURE OF CRAMBIN REMARK 1 REF PROTEINS V. 15 385 1993 REMARK 1 REFN ISSN 0887-3585 REMARK 1 REFERENCE 2 REMARK 1 AUTH J.A.C.RULLMANN,A.M.J.J.BONVIN,R.BOELENS,R.KAPTEIN REMARK 1 TITL STRUCTURE DETERMINATION BY NMR-APPLICATION TO REMARK 1 TITL 2 CRAMBIN REMARK 1 EDIT D.M.SOUMPASIS, T.M.JOVIN REMARK 1 REF COMPUTATION OF BIOMOLECULAR 1 1992 REMARK 1 REF 2 STRUCTURES; ACHIEVEMENTS REMARK 1 REF 3 PROBLEMS, AND PERSPECTIVES REMARK 1 PUBL SPRINGER-VERLAG, BERLIN REMARK 1 REFN REMARK 1 REFERENCE 3 REMARK 1 AUTH R.M.J.M.LAMERICHS REMARK 1 TITL 2D NMR STUDIES OF BIOMOLECULES: PROTEIN STRUCTURE REMARK 1 TITL 2 AND PROTEIN-DNA INTERACTIONS REMARK 1 REF THESIS 1989 REMARK 1 REFN ISSN 3540559515 REMARK 1 REFERENCE 4 REMARK 1 AUTH R.M.J.N.LAMERICHS,L.J.BERLINER,R.BOELENS,A.DEMARCO, REMARK 1 AUTH 2 M.LLINAS,R.KAPTEIN REMARK 1 TITL SECONDARY STRUCTURE AND HYDROGEN BONDING OF REMARK 1 TITL 2 CRAMBIN IN SOLUTION REMARK 1 REF EUR.J.BIOCHEM. V. 171 307 1988 REMARK 1 REFN ISSN 0014-2956 REMARK 1 REFERENCE 5 REMARK 1 AUTH J.A.W.H.VERMEULEN,R.M.J.M.LAMERICHS,L.J.BERLINER, REMARK 1 AUTH 2 A.DEMARCO,M.LLINAS,R.BOELENS,J.ALLEMAN,R.KAPTEIN REMARK 1 TITL 1H NMR CHARACTERIZATION OF TWO CRAMBIN SPECIES REMARK 1 REF FEBS LETT. V. 219 426 1987 REMARK 1 REFN ISSN 0014-5793 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : GROMOS REMARK 3 AUTHORS : VAN GUNSTEREN,BERENDSEN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1CCN COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 10 CD - NE - CZ ANGL. DEV. = 10.2 DEGREES REMARK 500 ARG A 10 NE - CZ - NH1 ANGL. DEV. = 5.1 DEGREES REMARK 500 PHE A 13 CB - CG - CD2 ANGL. DEV. = -8.9 DEGREES REMARK 500 ARG A 17 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES REMARK 500 TYR A 29 CB - CG - CD2 ANGL. DEV. = -5.5 DEGREES REMARK 500 TYR A 44 CB - CG - CD1 ANGL. DEV. = -5.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL 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 THR A 21 -76.05 -140.28 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 TYR A 29 0.09 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1CCM RELATED DB: PDB DBREF 1CCN A 1 46 UNP P01542 CRAM_CRAAB 1 46 SEQRES 1 A 46 THR THR CYS CYS PRO SER ILE VAL ALA ARG SER ASN PHE SEQRES 2 A 46 ASN VAL CYS ARG LEU PRO GLY THR PRO GLU ALA LEU CYS SEQRES 3 A 46 ALA THR TYR THR GLY CYS ILE ILE ILE PRO GLY ALA THR SEQRES 4 A 46 CYS PRO GLY ASP TYR ALA ASN HELIX 1 H1 ILE A 7 LEU A 18 13/10 CONFORMATION RES 17,18 12 HELIX 2 H2 GLU A 23 THR A 30 1 8 SHEET 1 S1 2 THR A 1 CYS A 4 0 SHEET 2 S1 2 CYS A 32 ILE A 35 -1 SSBOND *** CYS A 3 CYS A 40 1555 1555 2.05 SSBOND *** CYS A 4 CYS A 32 1555 1555 2.03 SSBOND *** CYS A 16 CYS A 26 1555 1555 2.05 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 11 SER OG : rot 5:sc= 0.498 USER MOD Set 1.2: A 12 ASN : amide:sc= -0.416 K(o=0.083,f=-0.58) USER MOD Single : A 1 THR N :NH3+ 173:sc= 1.06 (180deg=1) USER MOD Single : A 1 THR OG1 : rot -77:sc= 1.17 USER MOD Single : A 2 THR OG1 : rot 51:sc= 0.407 USER MOD Single : A 6 SER OG : rot 180:sc= 0.46 USER MOD Single : A 14 ASN : amide:sc= -0.0216 K(o=-0.022,f=-1.5) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0922 USER MOD Single : A 28 THR OG1 : rot -14:sc= 0.306 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -70:sc= 1.03 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00154 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -1.1 K(o=-1.1,f=-6.1) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -4.139 -6.898 4.102 1.00 0.00 N ATOM 2 CA THR A 1 -2.880 -6.287 3.602 1.00 0.00 C ATOM 3 C THR A 1 -2.722 -5.421 2.365 1.00 0.00 C ATOM 4 O THR A 1 -3.354 -5.615 1.327 1.00 0.00 O ATOM 5 CB THR A 1 -1.744 -7.386 3.592 1.00 0.00 C ATOM 6 OG1 THR A 1 -2.100 -8.409 2.654 1.00 0.00 O ATOM 7 CG2 THR A 1 -1.297 -7.998 4.930 1.00 0.00 C ATOM 0 H1 THR A 1 -3.925 -7.532 4.898 1.00 0.00 H new ATOM 0 H2 THR A 1 -4.786 -6.149 4.421 1.00 0.00 H new ATOM 0 H3 THR A 1 -4.589 -7.441 3.338 1.00 0.00 H new ATOM 0 HA THR A 1 -2.843 -5.479 4.333 1.00 0.00 H new ATOM 0 HB THR A 1 -0.850 -6.835 3.299 1.00 0.00 H new ATOM 0 HG1 THR A 1 -2.786 -8.989 3.047 1.00 0.00 H new ATOM 0 HG21 THR A 1 -0.513 -8.733 4.750 1.00 0.00 H new ATOM 0 HG22 THR A 1 -0.914 -7.211 5.580 1.00 0.00 H new ATOM 0 HG23 THR A 1 -2.147 -8.484 5.410 1.00 0.00 H new ATOM 8 N THR A 2 -1.901 -4.397 2.578 1.00 0.00 N ATOM 9 CA THR A 2 -1.649 -3.277 1.623 1.00 0.00 C ATOM 10 C THR A 2 -0.487 -3.611 0.702 1.00 0.00 C ATOM 11 O THR A 2 0.623 -3.093 0.795 1.00 0.00 O ATOM 12 CB THR A 2 -1.299 -2.082 2.517 1.00 0.00 C ATOM 13 OG1 THR A 2 -0.148 -2.369 3.312 1.00 0.00 O ATOM 14 CG2 THR A 2 -2.453 -1.578 3.398 1.00 0.00 C ATOM 0 H THR A 2 -1.367 -4.303 3.442 1.00 0.00 H new ATOM 0 HA THR A 2 -2.507 -3.079 0.981 1.00 0.00 H new ATOM 0 HB THR A 2 -1.082 -1.263 1.831 1.00 0.00 H new ATOM 0 HG1 THR A 2 0.572 -2.703 2.737 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.112 -0.732 3.995 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.284 -1.265 2.765 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.783 -2.379 4.059 1.00 0.00 H new ATOM 15 N CYS A 3 -0.836 -4.459 -0.225 1.00 0.00 N ATOM 16 CA CYS A 3 0.104 -5.105 -1.136 1.00 0.00 C ATOM 17 C CYS A 3 0.442 -4.189 -2.348 1.00 0.00 C ATOM 18 O CYS A 3 -0.438 -3.818 -3.128 1.00 0.00 O ATOM 19 CB CYS A 3 -0.353 -6.465 -1.608 1.00 0.00 C ATOM 20 SG CYS A 3 -0.803 -7.521 -0.182 1.00 0.00 S ATOM 0 H CYS A 3 -1.805 -4.736 -0.382 1.00 0.00 H new ATOM 0 HA CYS A 3 1.012 -5.268 -0.555 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.210 -6.357 -2.273 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.440 -6.941 -2.185 1.00 0.00 H new ATOM 21 N CYS A 4 1.688 -3.737 -2.387 1.00 0.00 N ATOM 22 CA CYS A 4 2.209 -2.816 -3.430 1.00 0.00 C ATOM 23 C CYS A 4 3.143 -3.620 -4.343 1.00 0.00 C ATOM 24 O CYS A 4 3.821 -4.526 -3.867 1.00 0.00 O ATOM 25 CB CYS A 4 2.922 -1.682 -2.703 1.00 0.00 C ATOM 26 SG CYS A 4 1.803 -0.408 -1.997 1.00 0.00 S ATOM 0 H CYS A 4 2.389 -3.994 -1.692 1.00 0.00 H new ATOM 0 HA CYS A 4 1.428 -2.386 -4.058 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.524 -2.105 -1.899 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.610 -1.199 -3.396 1.00 0.00 H new ATOM 27 N PRO A 5 3.171 -3.286 -5.640 1.00 0.00 N ATOM 28 CA PRO A 5 4.010 -4.019 -6.602 1.00 0.00 C ATOM 29 C PRO A 5 5.519 -3.704 -6.498 1.00 0.00 C ATOM 30 O PRO A 5 6.324 -4.627 -6.571 1.00 0.00 O ATOM 31 CB PRO A 5 3.336 -3.708 -7.936 1.00 0.00 C ATOM 32 CG PRO A 5 2.880 -2.251 -7.754 1.00 0.00 C ATOM 33 CD PRO A 5 2.385 -2.222 -6.301 1.00 0.00 C ATOM 0 HA PRO A 5 4.051 -5.093 -6.421 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.026 -3.814 -8.773 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.495 -4.374 -8.130 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.698 -1.549 -7.916 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.089 -1.985 -8.455 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.558 -1.250 -5.838 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.315 -2.418 -6.239 1.00 0.00 H new ATOM 34 N SER A 6 5.915 -2.435 -6.294 1.00 0.00 N ATOM 35 CA SER A 6 7.344 -2.088 -6.188 1.00 0.00 C ATOM 36 C SER A 6 7.662 -1.416 -4.843 1.00 0.00 C ATOM 37 O SER A 6 6.797 -0.766 -4.244 1.00 0.00 O ATOM 38 CB SER A 6 7.871 -1.168 -7.292 1.00 0.00 C ATOM 39 OG SER A 6 7.287 0.130 -7.195 1.00 0.00 O ATOM 0 H SER A 6 5.278 -1.644 -6.200 1.00 0.00 H new ATOM 0 HA SER A 6 7.845 -3.051 -6.286 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.956 -1.090 -7.219 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.648 -1.600 -8.268 1.00 0.00 H new ATOM 0 HG SER A 6 7.639 0.701 -7.909 1.00 0.00 H new ATOM 40 N ILE A 7 8.926 -1.475 -4.438 1.00 0.00 N ATOM 41 CA ILE A 7 9.441 -0.873 -3.186 1.00 0.00 C ATOM 42 C ILE A 7 9.200 0.642 -3.201 1.00 0.00 C ATOM 43 O ILE A 7 8.864 1.234 -2.177 1.00 0.00 O ATOM 44 CB ILE A 7 10.887 -1.309 -2.866 1.00 0.00 C ATOM 45 CG1 ILE A 7 11.188 -2.848 -2.945 1.00 0.00 C ATOM 46 CG2 ILE A 7 11.286 -0.718 -1.505 1.00 0.00 C ATOM 47 CD1 ILE A 7 12.520 -3.358 -2.320 1.00 0.00 C ATOM 0 H ILE A 7 9.649 -1.952 -4.976 1.00 0.00 H new ATOM 0 HA ILE A 7 8.876 -1.264 -2.339 1.00 0.00 H new ATOM 0 HB ILE A 7 11.507 -0.909 -3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 7 10.367 -3.376 -2.460 1.00 0.00 H new ATOM 0 HG13 ILE A 7 11.178 -3.138 -3.996 1.00 0.00 H new ATOM 0 HG21 ILE A 7 12.306 -1.017 -1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.227 0.370 -1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.608 -1.087 -0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 7 12.592 -4.438 -2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 7 13.363 -2.876 -2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 7 12.539 -3.117 -1.257 1.00 0.00 H new ATOM 48 N VAL A 8 9.275 1.225 -4.402 1.00 0.00 N ATOM 49 CA VAL A 8 9.062 2.657 -4.654 1.00 0.00 C ATOM 50 C VAL A 8 7.559 2.886 -4.451 1.00 0.00 C ATOM 51 O VAL A 8 7.179 3.849 -3.789 1.00 0.00 O ATOM 52 CB VAL A 8 9.523 2.936 -6.079 1.00 0.00 C ATOM 53 CG1 VAL A 8 9.483 4.406 -6.400 1.00 0.00 C ATOM 54 CG2 VAL A 8 11.012 2.414 -6.315 1.00 0.00 C ATOM 0 H VAL A 8 9.491 0.701 -5.250 1.00 0.00 H new ATOM 0 HA VAL A 8 9.617 3.326 -3.996 1.00 0.00 H new ATOM 0 HB VAL A 8 8.833 2.404 -6.734 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.819 4.564 -7.425 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.463 4.774 -6.292 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.138 4.946 -5.716 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.314 2.627 -7.341 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.688 2.919 -5.625 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.053 1.339 -6.141 1.00 0.00 H new ATOM 55 N ALA A 9 6.706 1.998 -4.984 1.00 0.00 N ATOM 56 CA ALA A 9 5.254 2.203 -4.847 1.00 0.00 C ATOM 57 C ALA A 9 4.776 2.085 -3.394 1.00 0.00 C ATOM 58 O ALA A 9 3.999 2.918 -2.948 1.00 0.00 O ATOM 59 CB ALA A 9 4.436 1.229 -5.702 1.00 0.00 C ATOM 0 H ALA A 9 6.981 1.160 -5.496 1.00 0.00 H new ATOM 0 HA ALA A 9 5.086 3.220 -5.201 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.373 1.426 -5.562 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.694 1.362 -6.753 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.658 0.205 -5.401 1.00 0.00 H new ATOM 60 N ARG A 10 5.408 1.184 -2.642 1.00 0.00 N ATOM 61 CA ARG A 10 5.176 1.046 -1.184 1.00 0.00 C ATOM 62 C ARG A 10 5.702 2.282 -0.428 1.00 0.00 C ATOM 63 O ARG A 10 4.957 2.858 0.355 1.00 0.00 O ATOM 64 CB ARG A 10 5.750 -0.255 -0.618 1.00 0.00 C ATOM 65 CG ARG A 10 5.353 -0.453 0.850 1.00 0.00 C ATOM 66 CD ARG A 10 3.858 -0.427 1.120 1.00 0.00 C ATOM 67 NE ARG A 10 3.391 -1.411 2.094 1.00 0.00 N ATOM 68 CZ ARG A 10 3.379 -2.745 2.126 1.00 0.00 C ATOM 69 NH1 ARG A 10 3.750 -3.539 1.133 1.00 0.00 N ATOM 70 NH2 ARG A 10 2.896 -3.335 3.216 1.00 0.00 N ATOM 0 H ARG A 10 6.094 0.527 -3.014 1.00 0.00 H new ATOM 0 HA ARG A 10 4.098 0.991 -1.032 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.394 -1.099 -1.209 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.837 -0.242 -0.704 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.752 -1.407 1.193 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.828 0.325 1.447 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.584 0.568 1.471 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.331 -0.590 0.180 1.00 0.00 H new ATOM 0 HE ARG A 10 2.987 -0.987 2.929 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.078 -3.138 0.255 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.708 -4.552 1.247 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.551 -2.769 3.991 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.871 -4.353 3.276 1.00 0.00 H new ATOM 71 N SER A 11 6.906 2.765 -0.760 1.00 0.00 N ATOM 72 CA SER A 11 7.429 4.012 -0.137 1.00 0.00 C ATOM 73 C SER A 11 6.574 5.241 -0.457 1.00 0.00 C ATOM 74 O SER A 11 6.163 5.968 0.453 1.00 0.00 O ATOM 75 CB SER A 11 8.911 4.289 -0.438 1.00 0.00 C ATOM 76 OG SER A 11 9.200 4.228 -1.839 1.00 0.00 O ATOM 0 H SER A 11 7.532 2.332 -1.439 1.00 0.00 H new ATOM 0 HA SER A 11 7.358 3.823 0.934 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.179 5.274 -0.056 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.529 3.563 0.090 1.00 0.00 H new ATOM 0 HG SER A 11 8.368 4.091 -2.339 1.00 0.00 H new ATOM 77 N ASN A 12 6.099 5.317 -1.697 1.00 0.00 N ATOM 78 CA ASN A 12 5.074 6.317 -2.140 1.00 0.00 C ATOM 79 C ASN A 12 3.729 6.123 -1.426 1.00 0.00 C ATOM 80 O ASN A 12 3.212 7.078 -0.854 1.00 0.00 O ATOM 81 CB ASN A 12 5.035 6.352 -3.645 1.00 0.00 C ATOM 82 CG ASN A 12 6.336 6.838 -4.286 1.00 0.00 C ATOM 83 OD1 ASN A 12 7.465 6.433 -4.004 1.00 0.00 O ATOM 84 ND2 ASN A 12 6.171 7.795 -5.157 1.00 0.00 N ATOM 0 H ASN A 12 6.403 4.692 -2.444 1.00 0.00 H new ATOM 0 HA ASN A 12 5.359 7.322 -1.829 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.809 5.352 -4.016 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.220 7.002 -3.963 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.981 8.216 -5.612 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.232 8.123 -5.383 1.00 0.00 H new ATOM 85 N PHE A 13 3.314 4.866 -1.238 1.00 0.00 N ATOM 86 CA PHE A 13 2.158 4.446 -0.422 1.00 0.00 C ATOM 87 C PHE A 13 2.332 4.971 1.033 1.00 0.00 C ATOM 88 O PHE A 13 1.451 5.675 1.532 1.00 0.00 O ATOM 89 CB PHE A 13 1.881 2.916 -0.447 1.00 0.00 C ATOM 90 CG PHE A 13 0.604 2.486 0.214 1.00 0.00 C ATOM 91 CD1 PHE A 13 0.434 2.382 1.597 1.00 0.00 C ATOM 92 CD2 PHE A 13 -0.386 2.182 -0.717 1.00 0.00 C ATOM 93 CE1 PHE A 13 -0.886 2.052 2.080 1.00 0.00 C ATOM 94 CE2 PHE A 13 -1.637 1.770 -0.247 1.00 0.00 C ATOM 95 CZ PHE A 13 -1.885 1.725 1.124 1.00 0.00 C ATOM 0 H PHE A 13 3.793 4.074 -1.667 1.00 0.00 H new ATOM 0 HA PHE A 13 1.273 4.893 -0.874 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.864 2.583 -1.485 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.712 2.405 0.038 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.257 2.542 2.278 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.192 2.262 -1.776 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.108 2.054 3.137 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.410 1.487 -0.946 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.866 1.433 1.470 1.00 0.00 H new ATOM 96 N ASN A 14 3.527 4.796 1.604 1.00 0.00 N ATOM 97 CA ASN A 14 3.864 5.283 2.971 1.00 0.00 C ATOM 98 C ASN A 14 3.906 6.845 3.012 1.00 0.00 C ATOM 99 O ASN A 14 3.492 7.402 4.027 1.00 0.00 O ATOM 100 CB ASN A 14 5.114 4.641 3.521 1.00 0.00 C ATOM 101 CG ASN A 14 5.101 3.114 3.501 1.00 0.00 C ATOM 102 OD1 ASN A 14 5.950 2.432 2.933 1.00 0.00 O ATOM 103 ND2 ASN A 14 4.115 2.546 4.141 1.00 0.00 N ATOM 0 H ASN A 14 4.298 4.314 1.142 1.00 0.00 H new ATOM 0 HA ASN A 14 3.064 4.969 3.641 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.971 4.992 2.946 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.259 4.977 4.548 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.046 1.529 4.172 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.414 3.119 4.610 1.00 0.00 H new ATOM 104 N VAL A 15 4.329 7.527 1.935 1.00 0.00 N ATOM 105 CA VAL A 15 4.269 9.035 1.857 1.00 0.00 C ATOM 106 C VAL A 15 2.769 9.427 1.778 1.00 0.00 C ATOM 107 O VAL A 15 2.357 10.216 2.627 1.00 0.00 O ATOM 108 CB VAL A 15 5.129 9.630 0.754 1.00 0.00 C ATOM 109 CG1 VAL A 15 5.063 11.182 0.670 1.00 0.00 C ATOM 110 CG2 VAL A 15 6.660 9.315 0.821 1.00 0.00 C ATOM 0 H VAL A 15 4.716 7.083 1.103 1.00 0.00 H new ATOM 0 HA VAL A 15 4.714 9.472 2.751 1.00 0.00 H new ATOM 0 HB VAL A 15 4.681 9.140 -0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.703 11.530 -0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.036 11.493 0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.404 11.612 1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.167 9.793 -0.017 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.069 9.695 1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.812 8.237 0.770 1.00 0.00 H new ATOM 111 N CYS A 16 1.937 8.779 0.923 1.00 0.00 N ATOM 112 CA CYS A 16 0.461 8.949 0.944 1.00 0.00 C ATOM 113 C CYS A 16 -0.121 8.779 2.370 1.00 0.00 C ATOM 114 O CYS A 16 -1.110 9.407 2.754 1.00 0.00 O ATOM 115 CB CYS A 16 -0.327 8.105 -0.089 1.00 0.00 C ATOM 116 SG CYS A 16 -2.131 8.190 0.092 1.00 0.00 S ATOM 0 H CYS A 16 2.266 8.131 0.207 1.00 0.00 H new ATOM 0 HA CYS A 16 0.315 9.980 0.623 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.059 8.437 -1.092 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.014 7.064 -0.004 1.00 0.00 H new ATOM 117 N ARG A 17 0.516 7.894 3.138 1.00 0.00 N ATOM 118 CA ARG A 17 0.049 7.511 4.497 1.00 0.00 C ATOM 119 C ARG A 17 0.813 8.269 5.605 1.00 0.00 C ATOM 120 O ARG A 17 0.463 8.061 6.772 1.00 0.00 O ATOM 121 CB ARG A 17 0.117 5.997 4.593 1.00 0.00 C ATOM 122 CG ARG A 17 -1.115 5.192 5.108 1.00 0.00 C ATOM 123 CD ARG A 17 -1.961 5.597 6.273 1.00 0.00 C ATOM 124 NE ARG A 17 -1.071 5.371 7.420 1.00 0.00 N ATOM 125 CZ ARG A 17 -1.055 4.323 8.226 1.00 0.00 C ATOM 126 NH1 ARG A 17 -1.811 3.245 8.046 1.00 0.00 N ATOM 127 NH2 ARG A 17 -0.096 4.255 9.140 1.00 0.00 N ATOM 0 H ARG A 17 1.369 7.416 2.848 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.986 7.813 4.659 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.358 5.620 3.599 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.959 5.751 5.240 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.793 5.100 4.259 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.749 4.190 5.333 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.273 6.639 6.203 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.868 4.997 6.341 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.390 6.104 7.616 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.448 3.196 7.251 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.754 2.467 8.703 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.600 4.998 9.205 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.055 3.460 9.778 1.00 0.00 H new ATOM 128 N LEU A 18 1.625 9.284 5.288 1.00 0.00 N ATOM 129 CA LEU A 18 2.191 10.184 6.327 1.00 0.00 C ATOM 130 C LEU A 18 1.170 10.906 7.243 1.00 0.00 C ATOM 131 O LEU A 18 1.388 10.848 8.448 1.00 0.00 O ATOM 132 CB LEU A 18 3.234 11.165 5.776 1.00 0.00 C ATOM 133 CG LEU A 18 4.574 10.479 5.507 1.00 0.00 C ATOM 134 CD1 LEU A 18 5.494 11.418 4.735 1.00 0.00 C ATOM 135 CD2 LEU A 18 5.258 10.024 6.801 1.00 0.00 C ATOM 0 H LEU A 18 1.909 9.510 4.335 1.00 0.00 H new ATOM 0 HA LEU A 18 2.698 9.479 6.986 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.862 11.610 4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.379 11.979 6.487 1.00 0.00 H new ATOM 0 HG LEU A 18 4.373 9.589 4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.446 10.922 4.548 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.030 11.683 3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.665 12.322 5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.206 9.542 6.561 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.441 10.889 7.439 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.614 9.317 7.324 1.00 0.00 H new ATOM 136 N PRO A 19 0.010 11.397 6.761 1.00 0.00 N ATOM 137 CA PRO A 19 -1.077 11.889 7.643 1.00 0.00 C ATOM 138 C PRO A 19 -1.720 10.818 8.542 1.00 0.00 C ATOM 139 O PRO A 19 -2.500 11.151 9.434 1.00 0.00 O ATOM 140 CB PRO A 19 -2.126 12.482 6.705 1.00 0.00 C ATOM 141 CG PRO A 19 -1.896 11.768 5.377 1.00 0.00 C ATOM 142 CD PRO A 19 -0.380 11.580 5.344 1.00 0.00 C ATOM 0 HA PRO A 19 -0.658 12.609 8.346 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.135 12.310 7.079 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.003 13.560 6.603 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.422 10.814 5.336 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.247 12.362 4.533 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.102 10.715 4.742 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.116 12.446 4.906 1.00 0.00 H new ATOM 143 N GLY A 20 -1.485 9.538 8.223 1.00 0.00 N ATOM 144 CA GLY A 20 -1.943 8.389 9.022 1.00 0.00 C ATOM 145 C GLY A 20 -3.456 8.171 8.883 1.00 0.00 C ATOM 146 O GLY A 20 -4.170 7.968 9.865 1.00 0.00 O ATOM 0 H GLY A 20 -0.963 9.266 7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.415 7.490 8.704 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.693 8.551 10.070 1.00 0.00 H new ATOM 147 N THR A 21 -3.914 8.239 7.632 1.00 0.00 N ATOM 148 CA THR A 21 -5.344 8.028 7.330 1.00 0.00 C ATOM 149 C THR A 21 -5.683 7.219 6.053 1.00 0.00 C ATOM 150 O THR A 21 -6.256 6.129 6.221 1.00 0.00 O ATOM 151 CB THR A 21 -6.196 9.294 7.484 1.00 0.00 C ATOM 152 OG1 THR A 21 -5.773 10.063 8.616 1.00 0.00 O ATOM 153 CG2 THR A 21 -7.677 8.939 7.538 1.00 0.00 C ATOM 0 H THR A 21 -3.332 8.435 6.818 1.00 0.00 H new ATOM 0 HA THR A 21 -5.641 7.345 8.125 1.00 0.00 H new ATOM 0 HB THR A 21 -6.050 9.925 6.607 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.330 10.866 8.693 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.266 9.850 7.647 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.963 8.430 6.617 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.863 8.282 8.388 1.00 0.00 H new ATOM 154 N PRO A 22 -5.583 7.758 4.825 1.00 0.00 N ATOM 155 CA PRO A 22 -6.444 7.270 3.739 1.00 0.00 C ATOM 156 C PRO A 22 -5.855 6.055 2.987 1.00 0.00 C ATOM 157 O PRO A 22 -5.525 6.109 1.813 1.00 0.00 O ATOM 158 CB PRO A 22 -6.634 8.473 2.822 1.00 0.00 C ATOM 159 CG PRO A 22 -5.289 9.190 2.929 1.00 0.00 C ATOM 160 CD PRO A 22 -4.879 8.983 4.388 1.00 0.00 C ATOM 0 HA PRO A 22 -7.389 6.894 4.131 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.852 8.171 1.798 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.458 9.106 3.150 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.555 8.767 2.243 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.380 10.249 2.685 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.799 8.869 4.480 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -5.163 9.839 5.001 1.00 0.00 H new ATOM 161 N GLU A 23 -5.906 4.913 3.667 1.00 0.00 N ATOM 162 CA GLU A 23 -5.307 3.655 3.185 1.00 0.00 C ATOM 163 C GLU A 23 -5.821 3.285 1.767 1.00 0.00 C ATOM 164 O GLU A 23 -5.040 2.942 0.872 1.00 0.00 O ATOM 165 CB GLU A 23 -5.524 2.463 4.099 1.00 0.00 C ATOM 166 CG GLU A 23 -4.721 2.669 5.383 1.00 0.00 C ATOM 167 CD GLU A 23 -5.177 1.734 6.496 1.00 0.00 C ATOM 168 OE1 GLU A 23 -6.234 2.041 7.069 1.00 0.00 O ATOM 169 OE2 GLU A 23 -4.467 0.720 6.713 1.00 0.00 O ATOM 0 H GLU A 23 -6.365 4.825 4.574 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.237 3.862 3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.583 2.354 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.210 1.545 3.602 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.663 2.502 5.180 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.823 3.703 5.713 1.00 0.00 H new ATOM 170 N ALA A 24 -7.135 3.396 1.565 1.00 0.00 N ATOM 171 CA ALA A 24 -7.788 3.082 0.244 1.00 0.00 C ATOM 172 C ALA A 24 -7.434 4.060 -0.865 1.00 0.00 C ATOM 173 O ALA A 24 -7.250 3.660 -2.019 1.00 0.00 O ATOM 174 CB ALA A 24 -9.306 2.943 0.445 1.00 0.00 C ATOM 0 H ALA A 24 -7.789 3.700 2.286 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.387 2.130 -0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.780 2.716 -0.510 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.507 2.137 1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.708 3.877 0.837 1.00 0.00 H new ATOM 175 N LEU A 25 -7.268 5.321 -0.485 1.00 0.00 N ATOM 176 CA LEU A 25 -6.800 6.361 -1.440 1.00 0.00 C ATOM 177 C LEU A 25 -5.316 6.198 -1.774 1.00 0.00 C ATOM 178 O LEU A 25 -4.964 6.110 -2.937 1.00 0.00 O ATOM 179 CB LEU A 25 -7.102 7.782 -0.962 1.00 0.00 C ATOM 180 CG LEU A 25 -8.606 8.082 -0.920 1.00 0.00 C ATOM 181 CD1 LEU A 25 -8.838 9.436 -0.243 1.00 0.00 C ATOM 182 CD2 LEU A 25 -9.241 8.086 -2.317 1.00 0.00 C ATOM 0 H LEU A 25 -7.443 5.661 0.460 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.370 6.207 -2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.679 7.925 0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.611 8.496 -1.623 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.084 7.286 -0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.906 9.649 -0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.445 9.407 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.328 10.217 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.306 8.303 -2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.763 8.849 -2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.106 7.109 -2.781 1.00 0.00 H new ATOM 183 N CYS A 26 -4.514 5.879 -0.756 1.00 0.00 N ATOM 184 CA CYS A 26 -3.106 5.375 -0.971 1.00 0.00 C ATOM 185 C CYS A 26 -3.086 4.185 -1.944 1.00 0.00 C ATOM 186 O CYS A 26 -2.331 4.276 -2.913 1.00 0.00 O ATOM 187 CB CYS A 26 -2.385 5.120 0.382 1.00 0.00 C ATOM 188 SG CYS A 26 -2.435 6.642 1.400 1.00 0.00 S ATOM 0 H CYS A 26 -4.787 5.951 0.224 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.520 6.153 -1.460 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.866 4.299 0.913 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.351 4.823 0.205 1.00 0.00 H new ATOM 189 N ALA A 27 -4.028 3.220 -1.839 1.00 0.00 N ATOM 190 CA ALA A 27 -4.167 2.190 -2.937 1.00 0.00 C ATOM 191 C ALA A 27 -4.372 2.637 -4.341 1.00 0.00 C ATOM 192 O ALA A 27 -3.587 2.302 -5.224 1.00 0.00 O ATOM 193 CB ALA A 27 -5.115 1.022 -2.493 1.00 0.00 C ATOM 0 H ALA A 27 -4.678 3.118 -1.059 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.147 1.818 -3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.198 0.294 -3.300 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.704 0.536 -1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.102 1.422 -2.262 1.00 0.00 H new ATOM 194 N THR A 28 -5.390 3.466 -4.511 1.00 0.00 N ATOM 195 CA THR A 28 -5.742 4.008 -5.872 1.00 0.00 C ATOM 196 C THR A 28 -4.604 4.917 -6.376 1.00 0.00 C ATOM 197 O THR A 28 -4.188 4.783 -7.528 1.00 0.00 O ATOM 198 CB THR A 28 -7.081 4.658 -5.789 1.00 0.00 C ATOM 199 OG1 THR A 28 -7.168 5.734 -4.847 1.00 0.00 O ATOM 200 CG2 THR A 28 -8.265 3.718 -5.377 1.00 0.00 C ATOM 0 H THR A 28 -5.995 3.791 -3.757 1.00 0.00 H new ATOM 0 HA THR A 28 -5.829 3.220 -6.620 1.00 0.00 H new ATOM 0 HB THR A 28 -7.179 4.998 -6.820 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.385 5.717 -4.257 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.191 4.291 -5.347 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.360 2.912 -6.105 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.068 3.295 -4.392 1.00 0.00 H new ATOM 201 N TYR A 29 -4.112 5.820 -5.532 1.00 0.00 N ATOM 202 CA TYR A 29 -3.078 6.853 -5.889 1.00 0.00 C ATOM 203 C TYR A 29 -1.706 6.238 -6.218 1.00 0.00 C ATOM 204 O TYR A 29 -0.988 6.800 -7.045 1.00 0.00 O ATOM 205 CB TYR A 29 -3.064 8.014 -4.896 1.00 0.00 C ATOM 206 CG TYR A 29 -4.261 8.968 -5.112 1.00 0.00 C ATOM 207 CD1 TYR A 29 -5.597 8.578 -4.837 1.00 0.00 C ATOM 208 CD2 TYR A 29 -3.926 10.308 -5.386 1.00 0.00 C ATOM 209 CE1 TYR A 29 -6.588 9.574 -4.745 1.00 0.00 C ATOM 210 CE2 TYR A 29 -4.928 11.302 -5.323 1.00 0.00 C ATOM 211 CZ TYR A 29 -6.241 10.915 -4.988 1.00 0.00 C ATOM 212 OH TYR A 29 -7.201 11.875 -4.887 1.00 0.00 O ATOM 0 H TYR A 29 -4.410 5.876 -4.558 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.377 7.310 -6.832 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.090 7.623 -3.879 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.132 8.570 -5.000 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.849 7.537 -4.701 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.911 10.574 -5.642 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.604 9.311 -4.490 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.693 12.336 -5.527 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.809 12.752 -5.082 1.00 0.00 H new ATOM 213 N THR A 30 -1.369 5.093 -5.627 1.00 0.00 N ATOM 214 CA THR A 30 -0.047 4.446 -5.851 1.00 0.00 C ATOM 215 C THR A 30 -0.072 3.065 -6.521 1.00 0.00 C ATOM 216 O THR A 30 0.957 2.388 -6.594 1.00 0.00 O ATOM 217 CB THR A 30 0.782 4.374 -4.555 1.00 0.00 C ATOM 218 OG1 THR A 30 0.133 3.562 -3.578 1.00 0.00 O ATOM 219 CG2 THR A 30 1.113 5.773 -4.034 1.00 0.00 C ATOM 0 H THR A 30 -1.981 4.584 -4.989 1.00 0.00 H new ATOM 0 HA THR A 30 0.428 5.111 -6.572 1.00 0.00 H new ATOM 0 HB THR A 30 1.734 3.893 -4.781 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.671 4.020 -3.254 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.699 5.691 -3.118 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.688 6.314 -4.785 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.189 6.312 -3.826 1.00 0.00 H new ATOM 220 N GLY A 31 -1.236 2.682 -7.062 1.00 0.00 N ATOM 221 CA GLY A 31 -1.443 1.394 -7.777 1.00 0.00 C ATOM 222 C GLY A 31 -1.174 0.142 -6.915 1.00 0.00 C ATOM 223 O GLY A 31 -0.482 -0.776 -7.349 1.00 0.00 O ATOM 0 H GLY A 31 -2.077 3.258 -7.021 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.469 1.356 -8.144 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.791 1.367 -8.650 1.00 0.00 H new ATOM 224 N CYS A 32 -1.674 0.168 -5.680 1.00 0.00 N ATOM 225 CA CYS A 32 -1.471 -0.946 -4.682 1.00 0.00 C ATOM 226 C CYS A 32 -2.862 -1.550 -4.487 1.00 0.00 C ATOM 227 O CYS A 32 -3.906 -0.930 -4.692 1.00 0.00 O ATOM 228 CB CYS A 32 -0.908 -0.457 -3.375 1.00 0.00 C ATOM 229 SG CYS A 32 0.755 0.291 -3.590 1.00 0.00 S ATOM 0 H CYS A 32 -2.230 0.943 -5.320 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.743 -1.671 -5.046 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.584 0.279 -2.940 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.845 -1.288 -2.672 1.00 0.00 H new ATOM 230 N ILE A 33 -2.820 -2.771 -3.993 1.00 0.00 N ATOM 231 CA ILE A 33 -4.036 -3.557 -3.768 1.00 0.00 C ATOM 232 C ILE A 33 -4.212 -3.941 -2.268 1.00 0.00 C ATOM 233 O ILE A 33 -3.397 -4.670 -1.705 1.00 0.00 O ATOM 234 CB ILE A 33 -4.187 -4.743 -4.706 1.00 0.00 C ATOM 235 CG1 ILE A 33 -3.052 -5.786 -4.500 1.00 0.00 C ATOM 236 CG2 ILE A 33 -4.188 -4.286 -6.190 1.00 0.00 C ATOM 237 CD1 ILE A 33 -3.227 -7.195 -5.169 1.00 0.00 C ATOM 0 H ILE A 33 -1.957 -3.250 -3.736 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.865 -2.898 -4.026 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.143 -5.209 -4.468 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.125 -5.351 -4.872 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.925 -5.937 -3.428 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.297 -5.155 -6.838 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.018 -3.600 -6.359 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.249 -3.781 -6.416 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.361 -7.816 -4.941 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.128 -7.672 -4.782 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.314 -7.077 -6.249 1.00 0.00 H new ATOM 238 N ILE A 34 -5.259 -3.428 -1.618 1.00 0.00 N ATOM 239 CA ILE A 34 -5.566 -3.791 -0.236 1.00 0.00 C ATOM 240 C ILE A 34 -6.431 -5.090 -0.243 1.00 0.00 C ATOM 241 O ILE A 34 -7.573 -5.058 -0.702 1.00 0.00 O ATOM 242 CB ILE A 34 -6.195 -2.649 0.579 1.00 0.00 C ATOM 243 CG1 ILE A 34 -5.165 -1.528 0.796 1.00 0.00 C ATOM 244 CG2 ILE A 34 -6.641 -3.142 1.984 1.00 0.00 C ATOM 245 CD1 ILE A 34 -5.814 -0.164 0.990 1.00 0.00 C ATOM 0 H ILE A 34 -5.909 -2.758 -2.029 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.630 -3.988 0.286 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.057 -2.289 0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.556 -1.764 1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.492 -1.487 -0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.082 -2.313 2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.378 -3.937 1.873 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.776 -3.522 2.528 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.040 0.589 1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.401 0.088 0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.466 -0.192 1.863 1.00 0.00 H new ATOM 246 N ILE A 35 -5.824 -6.218 0.111 1.00 0.00 N ATOM 247 CA ILE A 35 -6.473 -7.563 0.034 1.00 0.00 C ATOM 248 C ILE A 35 -6.752 -8.149 1.421 1.00 0.00 C ATOM 249 O ILE A 35 -5.846 -8.158 2.253 1.00 0.00 O ATOM 250 CB ILE A 35 -5.669 -8.501 -0.910 1.00 0.00 C ATOM 251 CG1 ILE A 35 -4.170 -8.599 -0.629 1.00 0.00 C ATOM 252 CG2 ILE A 35 -5.718 -8.115 -2.396 1.00 0.00 C ATOM 253 CD1 ILE A 35 -3.709 -10.007 -0.278 1.00 0.00 C ATOM 0 H ILE A 35 -4.867 -6.247 0.462 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.460 -7.452 -0.415 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.182 -9.440 -0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.621 -8.253 -1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.917 -7.927 0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.129 -8.826 -2.976 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.751 -8.132 -2.742 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.308 -7.113 -2.525 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.635 -10.002 -0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.231 -10.349 0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.930 -10.679 -1.107 1.00 0.00 H new ATOM 254 N PRO A 36 -7.954 -8.691 1.641 1.00 0.00 N ATOM 255 CA PRO A 36 -8.365 -9.322 2.914 1.00 0.00 C ATOM 256 C PRO A 36 -7.401 -10.363 3.487 1.00 0.00 C ATOM 257 O PRO A 36 -7.276 -10.536 4.698 1.00 0.00 O ATOM 258 CB PRO A 36 -9.718 -9.973 2.602 1.00 0.00 C ATOM 259 CG PRO A 36 -10.316 -9.032 1.558 1.00 0.00 C ATOM 260 CD PRO A 36 -9.094 -8.693 0.696 1.00 0.00 C ATOM 0 HA PRO A 36 -8.394 -8.558 3.691 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.600 -10.985 2.214 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.347 -10.044 3.490 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.103 -9.514 0.978 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -10.753 -8.143 2.013 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.951 -9.429 -0.095 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.208 -7.723 0.212 1.00 0.00 H new ATOM 261 N GLY A 37 -6.715 -11.004 2.548 1.00 0.00 N ATOM 262 CA GLY A 37 -5.600 -11.940 2.786 1.00 0.00 C ATOM 263 C GLY A 37 -4.506 -11.333 3.678 1.00 0.00 C ATOM 264 O GLY A 37 -4.031 -10.218 3.471 1.00 0.00 O ATOM 0 H GLY A 37 -6.922 -10.887 1.556 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.984 -12.847 3.253 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.165 -12.233 1.831 1.00 0.00 H new ATOM 265 N ALA A 38 -4.116 -12.142 4.656 1.00 0.00 N ATOM 266 CA ALA A 38 -3.136 -11.844 5.739 1.00 0.00 C ATOM 267 C ALA A 38 -1.685 -11.612 5.253 1.00 0.00 C ATOM 268 O ALA A 38 -0.783 -11.289 6.035 1.00 0.00 O ATOM 269 CB ALA A 38 -3.115 -12.931 6.829 1.00 0.00 C ATOM 0 H ALA A 38 -4.489 -13.088 4.735 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.501 -10.904 6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.385 -12.666 7.594 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.103 -13.010 7.283 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.842 -13.888 6.384 1.00 0.00 H new ATOM 270 N THR A 39 -1.488 -11.875 3.965 1.00 0.00 N ATOM 271 CA THR A 39 -0.181 -11.752 3.245 1.00 0.00 C ATOM 272 C THR A 39 -0.443 -11.412 1.785 1.00 0.00 C ATOM 273 O THR A 39 -1.572 -11.442 1.288 1.00 0.00 O ATOM 274 CB THR A 39 0.611 -13.035 3.507 1.00 0.00 C ATOM 275 OG1 THR A 39 1.996 -12.722 3.298 1.00 0.00 O ATOM 276 CG2 THR A 39 0.376 -14.216 2.529 1.00 0.00 C ATOM 0 H THR A 39 -2.243 -12.191 3.356 1.00 0.00 H new ATOM 0 HA THR A 39 0.440 -10.932 3.606 1.00 0.00 H new ATOM 0 HB THR A 39 0.299 -13.346 4.504 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.540 -13.521 3.458 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.996 -15.062 2.825 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.674 -14.508 2.557 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.641 -13.909 1.517 1.00 0.00 H new ATOM 277 N CYS A 40 0.652 -11.035 1.146 1.00 0.00 N ATOM 278 CA CYS A 40 0.711 -10.429 -0.190 1.00 0.00 C ATOM 279 C CYS A 40 1.114 -11.421 -1.287 1.00 0.00 C ATOM 280 O CYS A 40 2.054 -12.206 -1.113 1.00 0.00 O ATOM 281 CB CYS A 40 1.620 -9.225 -0.155 1.00 0.00 C ATOM 282 SG CYS A 40 0.973 -7.801 0.797 1.00 0.00 S ATOM 0 H CYS A 40 1.577 -11.146 1.561 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.297 -10.109 -0.456 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.578 -9.523 0.271 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.812 -8.903 -1.178 1.00 0.00 H new ATOM 283 N PRO A 41 0.464 -11.288 -2.461 1.00 0.00 N ATOM 284 CA PRO A 41 0.807 -12.011 -3.706 1.00 0.00 C ATOM 285 C PRO A 41 2.298 -11.828 -4.008 1.00 0.00 C ATOM 286 O PRO A 41 2.831 -10.732 -3.832 1.00 0.00 O ATOM 287 CB PRO A 41 0.037 -11.272 -4.794 1.00 0.00 C ATOM 288 CG PRO A 41 -1.215 -10.788 -4.069 1.00 0.00 C ATOM 289 CD PRO A 41 -0.667 -10.385 -2.691 1.00 0.00 C ATOM 0 HA PRO A 41 0.577 -13.074 -3.638 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.613 -10.441 -5.201 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.210 -11.928 -5.629 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.681 -9.947 -4.582 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.968 -11.572 -3.993 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.349 -9.342 -2.681 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.425 -10.495 -1.916 1.00 0.00 H new ATOM 290 N GLY A 42 2.866 -12.826 -4.676 1.00 0.00 N ATOM 291 CA GLY A 42 4.284 -12.807 -5.115 1.00 0.00 C ATOM 292 C GLY A 42 4.670 -11.548 -5.923 1.00 0.00 C ATOM 293 O GLY A 42 5.806 -11.084 -5.861 1.00 0.00 O ATOM 0 H GLY A 42 2.368 -13.678 -4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.927 -12.875 -4.238 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.478 -13.691 -5.722 1.00 0.00 H new ATOM 294 N ASP A 43 3.724 -11.065 -6.726 1.00 0.00 N ATOM 295 CA ASP A 43 3.935 -9.902 -7.613 1.00 0.00 C ATOM 296 C ASP A 43 3.596 -8.559 -6.959 1.00 0.00 C ATOM 297 O ASP A 43 3.714 -7.500 -7.581 1.00 0.00 O ATOM 298 CB ASP A 43 3.154 -10.057 -8.960 1.00 0.00 C ATOM 299 CG ASP A 43 1.626 -10.060 -8.823 1.00 0.00 C ATOM 300 OD1 ASP A 43 1.133 -10.668 -7.839 1.00 0.00 O ATOM 301 OD2 ASP A 43 0.973 -9.483 -9.709 1.00 0.00 O ATOM 0 H ASP A 43 2.787 -11.462 -6.787 1.00 0.00 H new ATOM 0 HA ASP A 43 5.005 -9.891 -7.819 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.443 -9.244 -9.626 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.463 -10.987 -9.438 1.00 0.00 H new ATOM 302 N TYR A 44 3.057 -8.641 -5.742 1.00 0.00 N ATOM 303 CA TYR A 44 2.654 -7.448 -4.946 1.00 0.00 C ATOM 304 C TYR A 44 3.273 -7.485 -3.541 1.00 0.00 C ATOM 305 O TYR A 44 2.722 -6.951 -2.574 1.00 0.00 O ATOM 306 CB TYR A 44 1.155 -7.267 -4.923 1.00 0.00 C ATOM 307 CG TYR A 44 0.565 -6.463 -6.061 1.00 0.00 C ATOM 308 CD1 TYR A 44 0.512 -7.097 -7.288 1.00 0.00 C ATOM 309 CD2 TYR A 44 0.097 -5.155 -5.844 1.00 0.00 C ATOM 310 CE1 TYR A 44 0.019 -6.399 -8.404 1.00 0.00 C ATOM 311 CE2 TYR A 44 -0.455 -4.470 -6.948 1.00 0.00 C ATOM 312 CZ TYR A 44 -0.479 -5.093 -8.207 1.00 0.00 C ATOM 313 OH TYR A 44 -1.014 -4.388 -9.244 1.00 0.00 O ATOM 0 H TYR A 44 2.882 -9.527 -5.268 1.00 0.00 H new ATOM 0 HA TYR A 44 3.054 -6.564 -5.442 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.690 -8.253 -4.922 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.882 -6.785 -3.984 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.846 -8.119 -7.388 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.158 -4.692 -4.870 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.021 -6.850 -9.385 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.856 -3.475 -6.826 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.307 -3.509 -8.925 1.00 0.00 H new ATOM 314 N ALA A 45 4.451 -8.092 -3.453 1.00 0.00 N ATOM 315 CA ALA A 45 5.107 -8.240 -2.171 1.00 0.00 C ATOM 316 C ALA A 45 6.367 -7.393 -1.900 1.00 0.00 C ATOM 317 O ALA A 45 7.466 -7.665 -2.390 1.00 0.00 O ATOM 318 CB ALA A 45 5.415 -9.742 -1.871 1.00 0.00 C ATOM 0 H ALA A 45 4.961 -8.483 -4.245 1.00 0.00 H new ATOM 0 HA ALA A 45 4.365 -7.830 -1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.908 -9.826 -0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.484 -10.308 -1.855 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.069 -10.141 -2.646 1.00 0.00 H new ATOM 319 N ASN A 46 6.155 -6.344 -1.127 1.00 0.00 N ATOM 320 CA ASN A 46 7.223 -5.386 -0.764 1.00 0.00 C ATOM 321 C ASN A 46 7.575 -5.397 0.741 1.00 0.00 C ATOM 322 O ASN A 46 6.639 -5.607 1.535 1.00 0.00 O ATOM 323 CB ASN A 46 6.812 -4.041 -1.217 1.00 0.00 C ATOM 324 CG ASN A 46 6.609 -3.862 -2.735 1.00 0.00 C ATOM 325 OD1 ASN A 46 5.893 -2.976 -3.176 1.00 0.00 O ATOM 326 ND2 ASN A 46 7.179 -4.715 -3.564 1.00 0.00 N ATOM 327 OXT ASN A 46 8.757 -5.146 1.033 1.00 0.00 O ATOM 0 H ASN A 46 5.245 -6.118 -0.726 1.00 0.00 H new ATOM 0 HA ASN A 46 8.142 -5.690 -1.266 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.880 -3.781 -0.715 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.564 -3.324 -0.886 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.021 -4.633 -4.568 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.778 -5.457 -3.201 1.00 0.00 H new TER 328 ASN A 46 CONECT 20 282 CONECT 26 229 CONECT 116 188 CONECT 188 116 CONECT 229 26 CONECT 282 20 END