USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) HEADER MEMBRANE PROTEIN 08-AUG-00 1FJK TITLE NMR SOLUTION STRUCTURE OF PHOSPHOLAMBAN (C41F) COMPND MOL_ID: 1; COMPND 2 MOLECULE: CARDIAC PHOSPHOLAMBAN; COMPND 3 CHAIN: A; COMPND 4 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; SOURCE 3 ORGANISM_COMMON: PIG; SOURCE 4 ORGANISM_TAXID: 9823 KEYWDS HELIX, MEMBRANE PROTEIN EXPDTA SOLUTION NMR AUTHOR S.LAMBERTH,C.GRIESINGER,H.SCHMID,E.CARAFOLI,M.MUENCHBACH, AUTHOR 2 T.VORHERR,J.KREBS REVDAT 3 24-FEB-09 1FJK 1 VERSN REVDAT 2 21-JUN-05 1FJK 1 JRNL REMARK REVDAT 1 06-SEP-00 1FJK 0 JRNL AUTH S.LAMBERTH,H.SCHMID,M.MUENCHBACH,T.VORHERR,J.KREBS, JRNL AUTH 2 E.CARAFOLI,C.GRIESINGER JRNL TITL NMR SOLUTION STRUCTURE OF PHOSPHOLAMBAN JRNL REF HELV.CHIM.ACTA V. 83 2141 2000 JRNL REFN ISSN 0018-019X REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 98.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURE IS BASED ON A TOTAL OF REMARK 3 649 RESTRAINTS, 644 ARE NOE-DERIVED DISTANCE CONSTRAINTS, 5 REMARK 3 DIHEDRAL ANGLE RESTRAINTS REMARK 4 REMARK 4 1FJK COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-AUG-00. REMARK 100 THE RCSB ID CODE IS RCSB011643. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 300 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 0 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1 MM PHOSPHOLAMBAN (C41F) REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, DQF-COSY, TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX 98, X-PLOR 98.1, UXNMR REMARK 210 2.6 REMARK 210 METHOD USED : SIMULATED ANNEALING, REMARK 210 MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : MINIMIZED AVERAGE STRUCTURE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 21 REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D REMARK 210 HOMONUCLEAR TECHNIQUES. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 2 -39.83 -164.55 REMARK 500 ALA A 15 -40.01 -145.82 REMARK 500 MET A 20 55.49 -144.28 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 ARG A 9 0.32 SIDE_CHAIN REMARK 500 ARG A 13 0.29 SIDE_CHAIN REMARK 500 ARG A 14 0.29 SIDE_CHAIN REMARK 500 ARG A 25 0.32 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1FJP RELATED DB: PDB REMARK 900 NMR SOLUTION STRUCTURE OF PHOSPHOLAMBAN, 10 STRUCTURES DBREF 1FJK A 1 52 UNP P61013 PPLA_PIG 1 52 SEQADV 1FJK PHE A 41 UNP P61013 CYS 41 ENGINEERED SEQRES 1 A 52 MET ASP LYS VAL GLN TYR LEU THR ARG SER ALA ILE ARG SEQRES 2 A 52 ARG ALA SER THR ILE GLU MET PRO GLN GLN ALA ARG GLN SEQRES 3 A 52 ASN LEU GLN ASN LEU PHE ILE ASN PHE CYS LEU ILE LEU SEQRES 4 A 52 ILE PHE LEU LEU LEU ILE CYS ILE ILE VAL MET LEU LEU HELIX 1 1 LYS A 3 THR A 17 1 15 HELIX 2 2 MET A 20 MET A 50 1 31 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 46 CYS SG : rot 180:sc= -1.79 USER MOD Set 1.2: A 50 MET CE :methyl -178:sc= 0 (180deg=0) USER MOD Set 2.1: A 26 GLN : amide:sc= -0.0734 X(o=-1.2,f=-1.2) USER MOD Set 2.2: A 29 GLN : amide:sc= -1.17 X(o=-1.2,f=-0.89) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= -0.204 (180deg=-1.73!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.918 X(o=-0.92,f=-0.5) USER MOD Single : A 6 TYR OH : rot 180:sc= -0.228 USER MOD Single : A 8 THR OG1 : rot 77:sc= 1.02 USER MOD Single : A 10 SER OG : rot -4:sc= 0.162 USER MOD Single : A 16 SER OG : rot -160:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -134:sc= -1.2 (180deg=-3.59!) USER MOD Single : A 22 GLN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 23 GLN : amide:sc= -1.68! C(o=-1.7!,f=-4.8!) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.128 F(o=-1.5,f=-0.13) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.156 F(o=-1.5,f=-0.16) USER MOD Single : A 36 CYS SG : rot 180:sc= -1.38 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.504 20.306 -19.386 1.00 0.00 N ATOM 2 CA MET A 1 -20.473 19.920 -18.390 1.00 0.00 C ATOM 3 C MET A 1 -19.135 20.564 -18.730 1.00 0.00 C ATOM 4 O MET A 1 -18.723 20.626 -19.872 1.00 0.00 O ATOM 5 CB MET A 1 -20.372 18.400 -18.474 1.00 0.00 C ATOM 6 CG MET A 1 -20.064 17.981 -19.905 1.00 0.00 C ATOM 7 SD MET A 1 -19.965 16.176 -19.997 1.00 0.00 S ATOM 8 CE MET A 1 -19.611 16.055 -21.768 1.00 0.00 C ATOM 0 H1 MET A 1 -22.221 19.556 -19.452 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.958 21.194 -19.090 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.056 20.440 -20.315 1.00 0.00 H new ATOM 0 HA MET A 1 -20.738 20.252 -17.386 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.591 18.041 -17.804 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.307 17.946 -18.146 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.839 18.348 -20.578 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.123 18.425 -20.231 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.509 15.006 -22.048 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.427 16.504 -22.334 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.683 16.582 -21.990 1.00 0.00 H new ATOM 20 N ASP A 2 -18.461 21.040 -17.733 1.00 0.00 N ATOM 21 CA ASP A 2 -17.137 21.689 -17.952 1.00 0.00 C ATOM 22 C ASP A 2 -16.391 21.812 -16.621 1.00 0.00 C ATOM 23 O ASP A 2 -15.196 21.608 -16.546 1.00 0.00 O ATOM 24 CB ASP A 2 -17.458 23.072 -18.519 1.00 0.00 C ATOM 25 CG ASP A 2 -18.313 23.848 -17.517 1.00 0.00 C ATOM 26 OD1 ASP A 2 -19.397 23.382 -17.207 1.00 0.00 O ATOM 27 OD2 ASP A 2 -17.869 24.895 -17.076 1.00 0.00 O ATOM 0 H ASP A 2 -18.769 21.010 -16.761 1.00 0.00 H new ATOM 0 HA ASP A 2 -16.500 21.116 -18.625 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -16.536 23.616 -18.724 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -17.988 22.974 -19.467 1.00 0.00 H new ATOM 32 N LYS A 3 -17.090 22.140 -15.570 1.00 0.00 N ATOM 33 CA LYS A 3 -16.424 22.270 -14.243 1.00 0.00 C ATOM 34 C LYS A 3 -16.867 21.134 -13.327 1.00 0.00 C ATOM 35 O LYS A 3 -16.095 20.622 -12.542 1.00 0.00 O ATOM 36 CB LYS A 3 -16.877 23.625 -13.692 1.00 0.00 C ATOM 37 CG LYS A 3 -18.394 23.623 -13.478 1.00 0.00 C ATOM 38 CD LYS A 3 -18.833 24.981 -12.927 1.00 0.00 C ATOM 39 CE LYS A 3 -20.353 24.992 -12.751 1.00 0.00 C ATOM 40 NZ LYS A 3 -20.672 26.352 -12.234 1.00 0.00 N ATOM 0 H LYS A 3 -18.093 22.324 -15.572 1.00 0.00 H new ATOM 0 HA LYS A 3 -15.338 22.215 -14.317 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.369 23.832 -12.750 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -16.600 24.420 -14.385 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.904 23.418 -14.419 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -18.673 22.830 -12.785 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.344 25.173 -11.972 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.529 25.777 -13.607 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -20.861 24.800 -13.696 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -20.675 24.219 -12.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -21.698 26.436 -12.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -20.180 26.504 -11.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -20.361 27.067 -12.922 1.00 0.00 H new ATOM 54 N VAL A 4 -18.096 20.718 -13.430 1.00 0.00 N ATOM 55 CA VAL A 4 -18.563 19.599 -12.570 1.00 0.00 C ATOM 56 C VAL A 4 -17.797 18.316 -12.923 1.00 0.00 C ATOM 57 O VAL A 4 -17.854 17.337 -12.208 1.00 0.00 O ATOM 58 CB VAL A 4 -20.052 19.447 -12.886 1.00 0.00 C ATOM 59 CG1 VAL A 4 -20.228 19.136 -14.373 1.00 0.00 C ATOM 60 CG2 VAL A 4 -20.637 18.305 -12.052 1.00 0.00 C ATOM 0 H VAL A 4 -18.793 21.101 -14.068 1.00 0.00 H new ATOM 0 HA VAL A 4 -18.396 19.789 -11.510 1.00 0.00 H new ATOM 0 HB VAL A 4 -20.571 20.375 -12.645 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -21.289 19.028 -14.599 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -19.812 19.950 -14.967 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -19.709 18.209 -14.615 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -21.698 18.197 -12.277 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -20.118 17.377 -12.292 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -20.512 18.527 -10.992 1.00 0.00 H new ATOM 70 N GLN A 5 -17.088 18.308 -14.026 1.00 0.00 N ATOM 71 CA GLN A 5 -16.339 17.082 -14.412 1.00 0.00 C ATOM 72 C GLN A 5 -15.082 16.907 -13.552 1.00 0.00 C ATOM 73 O GLN A 5 -14.811 15.823 -13.072 1.00 0.00 O ATOM 74 CB GLN A 5 -15.974 17.261 -15.894 1.00 0.00 C ATOM 75 CG GLN A 5 -15.034 18.461 -16.076 1.00 0.00 C ATOM 76 CD GLN A 5 -14.722 18.690 -17.565 1.00 0.00 C ATOM 77 OE1 GLN A 5 -14.002 19.609 -17.899 1.00 0.00 O ATOM 78 NE2 GLN A 5 -15.222 17.900 -18.483 1.00 0.00 N ATOM 0 H GLN A 5 -16.999 19.095 -14.669 1.00 0.00 H new ATOM 0 HA GLN A 5 -16.940 16.186 -14.256 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -15.495 16.356 -16.268 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -16.880 17.409 -16.482 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -15.493 19.355 -15.654 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -14.108 18.289 -15.528 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -15.828 17.125 -18.214 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -15.005 18.060 -19.467 1.00 0.00 H new ATOM 87 N TYR A 6 -14.306 17.943 -13.346 1.00 0.00 N ATOM 88 CA TYR A 6 -13.088 17.769 -12.514 1.00 0.00 C ATOM 89 C TYR A 6 -13.452 17.974 -11.043 1.00 0.00 C ATOM 90 O TYR A 6 -12.919 17.321 -10.168 1.00 0.00 O ATOM 91 CB TYR A 6 -12.036 18.786 -13.005 1.00 0.00 C ATOM 92 CG TYR A 6 -12.296 20.188 -12.487 1.00 0.00 C ATOM 93 CD1 TYR A 6 -13.337 20.975 -13.002 1.00 0.00 C ATOM 94 CD2 TYR A 6 -11.472 20.701 -11.476 1.00 0.00 C ATOM 95 CE1 TYR A 6 -13.543 22.271 -12.505 1.00 0.00 C ATOM 96 CE2 TYR A 6 -11.682 21.991 -10.982 1.00 0.00 C ATOM 97 CZ TYR A 6 -12.717 22.777 -11.497 1.00 0.00 C ATOM 98 OH TYR A 6 -12.924 24.051 -11.010 1.00 0.00 O ATOM 0 H TYR A 6 -14.463 18.882 -13.712 1.00 0.00 H new ATOM 0 HA TYR A 6 -12.673 16.765 -12.606 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -11.046 18.462 -12.685 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -12.030 18.800 -14.095 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -13.978 20.585 -13.779 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -10.671 20.096 -11.077 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -14.342 22.879 -12.902 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -11.045 22.381 -10.202 1.00 0.00 H new ATOM 0 HH TYR A 6 -12.263 24.246 -10.313 1.00 0.00 H new ATOM 108 N LEU A 7 -14.377 18.853 -10.761 1.00 0.00 N ATOM 109 CA LEU A 7 -14.784 19.056 -9.342 1.00 0.00 C ATOM 110 C LEU A 7 -15.277 17.731 -8.754 1.00 0.00 C ATOM 111 O LEU A 7 -14.991 17.400 -7.620 1.00 0.00 O ATOM 112 CB LEU A 7 -15.924 20.074 -9.380 1.00 0.00 C ATOM 113 CG LEU A 7 -15.391 21.424 -9.851 1.00 0.00 C ATOM 114 CD1 LEU A 7 -16.538 22.436 -9.902 1.00 0.00 C ATOM 115 CD2 LEU A 7 -14.320 21.916 -8.876 1.00 0.00 C ATOM 0 H LEU A 7 -14.863 19.433 -11.445 1.00 0.00 H new ATOM 0 HA LEU A 7 -13.957 19.406 -8.724 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -16.711 19.729 -10.051 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -16.369 20.173 -8.390 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.957 21.317 -10.845 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -16.158 23.400 -10.238 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -17.302 22.085 -10.596 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -16.972 22.544 -8.908 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -13.938 22.880 -9.211 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -14.754 22.023 -7.882 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -13.503 21.195 -8.839 1.00 0.00 H new ATOM 127 N THR A 8 -16.019 16.970 -9.516 1.00 0.00 N ATOM 128 CA THR A 8 -16.532 15.671 -8.999 1.00 0.00 C ATOM 129 C THR A 8 -15.384 14.668 -8.858 1.00 0.00 C ATOM 130 O THR A 8 -15.299 13.939 -7.890 1.00 0.00 O ATOM 131 CB THR A 8 -17.531 15.193 -10.051 1.00 0.00 C ATOM 132 OG1 THR A 8 -18.551 16.168 -10.209 1.00 0.00 O ATOM 133 CG2 THR A 8 -18.155 13.871 -9.604 1.00 0.00 C ATOM 0 H THR A 8 -16.291 17.194 -10.473 1.00 0.00 H new ATOM 0 HA THR A 8 -16.991 15.771 -8.015 1.00 0.00 H new ATOM 0 HB THR A 8 -17.015 15.046 -11.000 1.00 0.00 H new ATOM 0 HG1 THR A 8 -18.209 16.916 -10.741 1.00 0.00 H new ATOM 0 HG21 THR A 8 -18.867 13.532 -10.356 1.00 0.00 H new ATOM 0 HG22 THR A 8 -17.372 13.122 -9.482 1.00 0.00 H new ATOM 0 HG23 THR A 8 -18.671 14.015 -8.655 1.00 0.00 H new ATOM 141 N ARG A 9 -14.498 14.631 -9.815 1.00 0.00 N ATOM 142 CA ARG A 9 -13.351 13.682 -9.738 1.00 0.00 C ATOM 143 C ARG A 9 -12.624 13.846 -8.405 1.00 0.00 C ATOM 144 O ARG A 9 -12.250 12.884 -7.766 1.00 0.00 O ATOM 145 CB ARG A 9 -12.446 14.075 -10.897 1.00 0.00 C ATOM 146 CG ARG A 9 -11.188 13.205 -10.894 1.00 0.00 C ATOM 147 CD ARG A 9 -10.293 13.606 -12.072 1.00 0.00 C ATOM 148 NE ARG A 9 -9.092 12.728 -11.974 1.00 0.00 N ATOM 149 CZ ARG A 9 -8.311 12.797 -10.929 1.00 0.00 C ATOM 150 NH1 ARG A 9 -7.346 13.674 -10.892 1.00 0.00 N ATOM 151 NH2 ARG A 9 -8.496 11.988 -9.922 1.00 0.00 N ATOM 0 H ARG A 9 -14.519 15.218 -10.649 1.00 0.00 H new ATOM 0 HA ARG A 9 -13.664 12.640 -9.800 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.978 13.957 -11.841 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -12.171 15.127 -10.815 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -10.649 13.328 -9.955 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.460 12.152 -10.970 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.807 13.463 -13.022 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.016 14.659 -12.014 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.879 12.071 -12.725 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.201 14.306 -11.679 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.737 13.728 -10.076 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.250 11.302 -9.951 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.886 12.042 -9.106 1.00 0.00 H new ATOM 165 N SER A 10 -12.427 15.061 -7.980 1.00 0.00 N ATOM 166 CA SER A 10 -11.731 15.297 -6.690 1.00 0.00 C ATOM 167 C SER A 10 -12.724 15.235 -5.522 1.00 0.00 C ATOM 168 O SER A 10 -12.339 15.255 -4.370 1.00 0.00 O ATOM 169 CB SER A 10 -11.136 16.698 -6.815 1.00 0.00 C ATOM 170 OG SER A 10 -12.185 17.635 -7.024 1.00 0.00 O ATOM 0 H SER A 10 -12.720 15.904 -8.474 1.00 0.00 H new ATOM 0 HA SER A 10 -10.969 14.544 -6.491 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.580 16.952 -5.912 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.430 16.733 -7.645 1.00 0.00 H new ATOM 0 HG SER A 10 -13.039 17.159 -7.097 1.00 0.00 H new ATOM 176 N ALA A 11 -14.000 15.172 -5.805 1.00 0.00 N ATOM 177 CA ALA A 11 -15.003 15.123 -4.708 1.00 0.00 C ATOM 178 C ALA A 11 -15.091 13.715 -4.108 1.00 0.00 C ATOM 179 O ALA A 11 -15.380 13.549 -2.939 1.00 0.00 O ATOM 180 CB ALA A 11 -16.327 15.504 -5.371 1.00 0.00 C ATOM 0 H ALA A 11 -14.387 15.153 -6.749 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.741 15.792 -3.888 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -17.123 15.492 -4.627 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -16.245 16.503 -5.799 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -16.557 14.789 -6.161 1.00 0.00 H new ATOM 186 N ILE A 12 -14.858 12.699 -4.894 1.00 0.00 N ATOM 187 CA ILE A 12 -14.947 11.315 -4.361 1.00 0.00 C ATOM 188 C ILE A 12 -13.564 10.649 -4.343 1.00 0.00 C ATOM 189 O ILE A 12 -13.227 9.931 -3.424 1.00 0.00 O ATOM 190 CB ILE A 12 -15.898 10.559 -5.296 1.00 0.00 C ATOM 191 CG1 ILE A 12 -17.328 11.119 -5.190 1.00 0.00 C ATOM 192 CG2 ILE A 12 -15.920 9.074 -4.922 1.00 0.00 C ATOM 193 CD1 ILE A 12 -17.399 12.528 -5.784 1.00 0.00 C ATOM 0 H ILE A 12 -14.610 12.770 -5.881 1.00 0.00 H new ATOM 0 HA ILE A 12 -15.312 11.310 -3.334 1.00 0.00 H new ATOM 0 HB ILE A 12 -15.540 10.684 -6.318 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -18.022 10.462 -5.714 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -17.639 11.142 -4.146 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -16.597 8.541 -5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -14.916 8.660 -5.017 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -16.262 8.963 -3.893 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -18.417 12.907 -5.700 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -16.721 13.186 -5.241 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -17.110 12.495 -6.834 1.00 0.00 H new ATOM 205 N ARG A 13 -12.766 10.868 -5.350 1.00 0.00 N ATOM 206 CA ARG A 13 -11.420 10.227 -5.375 1.00 0.00 C ATOM 207 C ARG A 13 -10.551 10.763 -4.237 1.00 0.00 C ATOM 208 O ARG A 13 -9.899 10.015 -3.540 1.00 0.00 O ATOM 209 CB ARG A 13 -10.820 10.598 -6.731 1.00 0.00 C ATOM 210 CG ARG A 13 -11.731 10.094 -7.853 1.00 0.00 C ATOM 211 CD ARG A 13 -11.868 8.578 -7.760 1.00 0.00 C ATOM 212 NE ARG A 13 -12.731 8.187 -8.912 1.00 0.00 N ATOM 213 CZ ARG A 13 -12.340 8.424 -10.137 1.00 0.00 C ATOM 214 NH1 ARG A 13 -11.291 7.814 -10.617 1.00 0.00 N ATOM 215 NH2 ARG A 13 -12.997 9.273 -10.878 1.00 0.00 N ATOM 0 H ARG A 13 -12.984 11.459 -6.152 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.481 9.147 -5.242 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.701 11.679 -6.804 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.827 10.161 -6.832 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -12.712 10.563 -7.777 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.319 10.373 -8.823 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.894 8.091 -7.816 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.319 8.282 -6.813 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.629 7.733 -8.744 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.776 7.152 -10.037 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.986 7.999 -11.573 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.815 9.752 -10.502 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.692 9.458 -11.834 1.00 0.00 H new ATOM 229 N ARG A 14 -10.534 12.051 -4.038 1.00 0.00 N ATOM 230 CA ARG A 14 -9.705 12.613 -2.943 1.00 0.00 C ATOM 231 C ARG A 14 -10.528 12.723 -1.655 1.00 0.00 C ATOM 232 O ARG A 14 -10.266 13.552 -0.806 1.00 0.00 O ATOM 233 CB ARG A 14 -9.279 13.996 -3.434 1.00 0.00 C ATOM 234 CG ARG A 14 -8.509 13.849 -4.753 1.00 0.00 C ATOM 235 CD ARG A 14 -8.177 15.224 -5.359 1.00 0.00 C ATOM 236 NE ARG A 14 -7.023 15.770 -4.580 1.00 0.00 N ATOM 237 CZ ARG A 14 -7.162 16.108 -3.330 1.00 0.00 C ATOM 238 NH1 ARG A 14 -7.934 17.109 -3.005 1.00 0.00 N ATOM 239 NH2 ARG A 14 -6.531 15.442 -2.402 1.00 0.00 N ATOM 0 H ARG A 14 -11.057 12.735 -4.585 1.00 0.00 H new ATOM 0 HA ARG A 14 -8.845 11.984 -2.713 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -10.154 14.629 -3.579 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -8.653 14.484 -2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.588 13.293 -4.579 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -9.102 13.270 -5.461 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.922 15.130 -6.414 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.036 15.892 -5.297 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.116 15.879 -5.033 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.429 17.628 -3.730 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.042 17.373 -2.026 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.930 14.658 -2.656 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.639 15.705 -1.423 1.00 0.00 H new ATOM 253 N ALA A 15 -11.517 11.887 -1.503 1.00 0.00 N ATOM 254 CA ALA A 15 -12.355 11.928 -0.278 1.00 0.00 C ATOM 255 C ALA A 15 -12.803 10.511 0.095 1.00 0.00 C ATOM 256 O ALA A 15 -12.839 10.145 1.253 1.00 0.00 O ATOM 257 CB ALA A 15 -13.558 12.797 -0.644 1.00 0.00 C ATOM 0 H ALA A 15 -11.781 11.173 -2.182 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.816 12.329 0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.225 12.874 0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.215 13.792 -0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.092 12.345 -1.480 1.00 0.00 H new ATOM 263 N SER A 16 -13.150 9.714 -0.880 1.00 0.00 N ATOM 264 CA SER A 16 -13.599 8.329 -0.592 1.00 0.00 C ATOM 265 C SER A 16 -12.463 7.318 -0.768 1.00 0.00 C ATOM 266 O SER A 16 -12.650 6.129 -0.607 1.00 0.00 O ATOM 267 CB SER A 16 -14.695 8.058 -1.599 1.00 0.00 C ATOM 268 OG SER A 16 -15.807 8.901 -1.331 1.00 0.00 O ATOM 0 H SER A 16 -13.140 9.968 -1.868 1.00 0.00 H new ATOM 0 HA SER A 16 -13.938 8.230 0.439 1.00 0.00 H new ATOM 0 HB2 SER A 16 -14.326 8.235 -2.609 1.00 0.00 H new ATOM 0 HB3 SER A 16 -14.998 7.012 -1.549 1.00 0.00 H new ATOM 0 HG SER A 16 -16.610 8.527 -1.751 1.00 0.00 H new ATOM 274 N THR A 17 -11.293 7.773 -1.100 1.00 0.00 N ATOM 275 CA THR A 17 -10.158 6.833 -1.289 1.00 0.00 C ATOM 276 C THR A 17 -8.976 7.230 -0.398 1.00 0.00 C ATOM 277 O THR A 17 -8.043 6.472 -0.221 1.00 0.00 O ATOM 278 CB THR A 17 -9.778 6.961 -2.764 1.00 0.00 C ATOM 279 OG1 THR A 17 -10.899 6.630 -3.572 1.00 0.00 O ATOM 280 CG2 THR A 17 -8.621 6.011 -3.078 1.00 0.00 C ATOM 0 H THR A 17 -11.072 8.757 -1.249 1.00 0.00 H new ATOM 0 HA THR A 17 -10.426 5.811 -1.020 1.00 0.00 H new ATOM 0 HB THR A 17 -9.471 7.986 -2.973 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.657 6.714 -4.518 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.350 6.103 -4.130 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.762 6.267 -2.459 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.926 4.985 -2.870 1.00 0.00 H new ATOM 288 N ILE A 18 -9.010 8.401 0.177 1.00 0.00 N ATOM 289 CA ILE A 18 -7.900 8.825 1.061 1.00 0.00 C ATOM 290 C ILE A 18 -8.381 8.870 2.516 1.00 0.00 C ATOM 291 O ILE A 18 -7.592 8.840 3.440 1.00 0.00 O ATOM 292 CB ILE A 18 -7.510 10.220 0.577 1.00 0.00 C ATOM 293 CG1 ILE A 18 -6.332 10.735 1.407 1.00 0.00 C ATOM 294 CG2 ILE A 18 -8.696 11.170 0.739 1.00 0.00 C ATOM 295 CD1 ILE A 18 -5.145 9.782 1.255 1.00 0.00 C ATOM 0 H ILE A 18 -9.763 9.081 0.069 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.055 8.138 1.024 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.225 10.171 -0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.052 11.736 1.079 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.618 10.812 2.456 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.415 12.165 0.393 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -9.538 10.805 0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.982 11.219 1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.306 10.149 1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.428 8.789 1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.854 9.728 0.206 1.00 0.00 H new ATOM 307 N GLU A 19 -9.671 8.939 2.729 1.00 0.00 N ATOM 308 CA GLU A 19 -10.191 8.985 4.119 1.00 0.00 C ATOM 309 C GLU A 19 -10.752 7.620 4.528 1.00 0.00 C ATOM 310 O GLU A 19 -10.894 7.323 5.697 1.00 0.00 O ATOM 311 CB GLU A 19 -11.293 10.034 4.097 1.00 0.00 C ATOM 312 CG GLU A 19 -10.701 11.392 3.720 1.00 0.00 C ATOM 313 CD GLU A 19 -9.634 11.784 4.744 1.00 0.00 C ATOM 314 OE1 GLU A 19 -9.973 11.892 5.911 1.00 0.00 O ATOM 315 OE2 GLU A 19 -8.497 11.970 4.344 1.00 0.00 O ATOM 0 H GLU A 19 -10.382 8.965 1.998 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.411 9.230 4.839 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.064 9.751 3.381 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.772 10.093 5.074 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.264 11.346 2.723 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.486 12.147 3.689 1.00 0.00 H new ATOM 322 N MET A 20 -11.073 6.790 3.575 1.00 0.00 N ATOM 323 CA MET A 20 -11.625 5.448 3.915 1.00 0.00 C ATOM 324 C MET A 20 -11.128 4.397 2.913 1.00 0.00 C ATOM 325 O MET A 20 -11.917 3.706 2.300 1.00 0.00 O ATOM 326 CB MET A 20 -13.142 5.611 3.822 1.00 0.00 C ATOM 327 CG MET A 20 -13.522 6.092 2.421 1.00 0.00 C ATOM 328 SD MET A 20 -15.319 6.275 2.311 1.00 0.00 S ATOM 329 CE MET A 20 -15.744 4.550 2.652 1.00 0.00 C ATOM 0 H MET A 20 -10.978 6.982 2.578 1.00 0.00 H new ATOM 0 HA MET A 20 -11.312 5.110 4.903 1.00 0.00 H new ATOM 0 HB2 MET A 20 -13.634 4.662 4.037 1.00 0.00 H new ATOM 0 HB3 MET A 20 -13.487 6.326 4.569 1.00 0.00 H new ATOM 0 HG2 MET A 20 -13.035 7.044 2.207 1.00 0.00 H new ATOM 0 HG3 MET A 20 -13.172 5.380 1.673 1.00 0.00 H new ATOM 0 HE1 MET A 20 -16.494 4.212 1.937 1.00 0.00 H new ATOM 0 HE2 MET A 20 -14.851 3.931 2.562 1.00 0.00 H new ATOM 0 HE3 MET A 20 -16.143 4.467 3.663 1.00 0.00 H new ATOM 339 N PRO A 21 -9.826 4.305 2.782 1.00 0.00 N ATOM 340 CA PRO A 21 -9.229 3.321 1.848 1.00 0.00 C ATOM 341 C PRO A 21 -9.401 1.905 2.399 1.00 0.00 C ATOM 342 O PRO A 21 -9.496 0.946 1.659 1.00 0.00 O ATOM 343 CB PRO A 21 -7.755 3.717 1.800 1.00 0.00 C ATOM 344 CG PRO A 21 -7.505 4.430 3.084 1.00 0.00 C ATOM 345 CD PRO A 21 -8.800 5.092 3.479 1.00 0.00 C ATOM 0 HA PRO A 21 -9.692 3.324 0.861 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.114 2.841 1.704 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.547 4.360 0.945 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.177 3.733 3.855 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.714 5.170 2.966 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.946 5.072 4.559 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.823 6.138 3.174 1.00 0.00 H new ATOM 353 N GLN A 22 -9.450 1.769 3.696 1.00 0.00 N ATOM 354 CA GLN A 22 -9.625 0.418 4.298 1.00 0.00 C ATOM 355 C GLN A 22 -11.112 0.070 4.382 1.00 0.00 C ATOM 356 O GLN A 22 -11.500 -1.074 4.262 1.00 0.00 O ATOM 357 CB GLN A 22 -9.018 0.525 5.688 1.00 0.00 C ATOM 358 CG GLN A 22 -7.535 0.892 5.577 1.00 0.00 C ATOM 359 CD GLN A 22 -6.897 1.016 6.972 1.00 0.00 C ATOM 360 OE1 GLN A 22 -7.613 0.827 8.054 1.00 0.00 O flip ATOM 361 NE2 GLN A 22 -5.719 1.295 7.079 1.00 0.00 N flip ATOM 0 H GLN A 22 -9.376 2.536 4.365 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.149 -0.365 3.708 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.547 1.280 6.269 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.130 -0.421 6.218 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -7.010 0.132 4.998 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -7.428 1.833 5.038 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.152 1.444 6.244 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.297 1.380 8.004 1.00 0.00 H new ATOM 370 N GLN A 23 -11.948 1.051 4.585 1.00 0.00 N ATOM 371 CA GLN A 23 -13.407 0.782 4.672 1.00 0.00 C ATOM 372 C GLN A 23 -14.004 0.688 3.267 1.00 0.00 C ATOM 373 O GLN A 23 -14.733 -0.231 2.951 1.00 0.00 O ATOM 374 CB GLN A 23 -13.982 1.975 5.425 1.00 0.00 C ATOM 375 CG GLN A 23 -15.503 1.839 5.555 1.00 0.00 C ATOM 376 CD GLN A 23 -15.847 0.611 6.403 1.00 0.00 C ATOM 377 OE1 GLN A 23 -15.531 -0.504 6.041 1.00 0.00 O ATOM 378 NE2 GLN A 23 -16.489 0.773 7.528 1.00 0.00 N ATOM 0 H GLN A 23 -11.681 2.029 4.694 1.00 0.00 H new ATOM 0 HA GLN A 23 -13.630 -0.159 5.175 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.530 2.041 6.415 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -13.736 2.898 4.900 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -15.919 2.736 6.013 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -15.954 1.747 4.567 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -16.755 1.709 7.833 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -16.725 -0.037 8.102 1.00 0.00 H new ATOM 387 N ALA A 24 -13.693 1.632 2.419 1.00 0.00 N ATOM 388 CA ALA A 24 -14.233 1.597 1.030 1.00 0.00 C ATOM 389 C ALA A 24 -13.927 0.244 0.384 1.00 0.00 C ATOM 390 O ALA A 24 -14.770 -0.355 -0.255 1.00 0.00 O ATOM 391 CB ALA A 24 -13.505 2.722 0.292 1.00 0.00 C ATOM 0 H ALA A 24 -13.088 2.426 2.629 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.315 1.728 1.002 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.849 2.761 -0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.715 3.673 0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.431 2.534 0.310 1.00 0.00 H new ATOM 397 N ARG A 25 -12.728 -0.247 0.551 1.00 0.00 N ATOM 398 CA ARG A 25 -12.375 -1.563 -0.048 1.00 0.00 C ATOM 399 C ARG A 25 -13.317 -2.647 0.477 1.00 0.00 C ATOM 400 O ARG A 25 -13.824 -3.460 -0.269 1.00 0.00 O ATOM 401 CB ARG A 25 -10.945 -1.833 0.398 1.00 0.00 C ATOM 402 CG ARG A 25 -10.486 -3.186 -0.149 1.00 0.00 C ATOM 403 CD ARG A 25 -9.032 -3.439 0.259 1.00 0.00 C ATOM 404 NE ARG A 25 -8.256 -2.344 -0.386 1.00 0.00 N ATOM 405 CZ ARG A 25 -6.960 -2.291 -0.243 1.00 0.00 C ATOM 406 NH1 ARG A 25 -6.441 -1.648 0.767 1.00 0.00 N ATOM 407 NH2 ARG A 25 -6.185 -2.883 -1.109 1.00 0.00 N ATOM 0 H ARG A 25 -11.980 0.207 1.076 1.00 0.00 H new ATOM 0 HA ARG A 25 -12.465 -1.561 -1.134 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -10.286 -1.042 0.040 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.886 -1.830 1.486 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -11.126 -3.981 0.235 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.577 -3.200 -1.235 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.917 -3.419 1.343 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.691 -4.417 -0.080 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.737 -1.635 -0.940 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.048 -1.187 1.445 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.428 -1.606 0.879 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.592 -3.387 -1.897 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.172 -2.842 -0.998 1.00 0.00 H new ATOM 421 N GLN A 26 -13.559 -2.659 1.759 1.00 0.00 N ATOM 422 CA GLN A 26 -14.471 -3.681 2.338 1.00 0.00 C ATOM 423 C GLN A 26 -15.908 -3.413 1.893 1.00 0.00 C ATOM 424 O GLN A 26 -16.628 -4.309 1.501 1.00 0.00 O ATOM 425 CB GLN A 26 -14.336 -3.511 3.843 1.00 0.00 C ATOM 426 CG GLN A 26 -12.882 -3.738 4.249 1.00 0.00 C ATOM 427 CD GLN A 26 -12.467 -5.167 3.892 1.00 0.00 C ATOM 428 OE1 GLN A 26 -13.041 -6.119 4.382 1.00 0.00 O ATOM 429 NE2 GLN A 26 -11.488 -5.358 3.051 1.00 0.00 N ATOM 0 H GLN A 26 -13.162 -2.002 2.431 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.223 -4.693 2.017 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -14.656 -2.511 4.138 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -14.984 -4.218 4.360 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.236 -3.023 3.740 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.762 -3.570 5.319 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.006 -4.559 2.639 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.205 -6.306 2.805 1.00 0.00 H new ATOM 438 N ASN A 27 -16.328 -2.180 1.954 1.00 0.00 N ATOM 439 CA ASN A 27 -17.718 -1.840 1.538 1.00 0.00 C ATOM 440 C ASN A 27 -17.958 -2.245 0.080 1.00 0.00 C ATOM 441 O ASN A 27 -18.997 -2.772 -0.264 1.00 0.00 O ATOM 442 CB ASN A 27 -17.823 -0.330 1.696 1.00 0.00 C ATOM 443 CG ASN A 27 -19.227 0.131 1.301 1.00 0.00 C ATOM 444 OD1 ASN A 27 -20.204 -0.291 1.887 1.00 0.00 O ATOM 445 ND2 ASN A 27 -19.370 0.985 0.326 1.00 0.00 N ATOM 0 H ASN A 27 -15.767 -1.391 2.275 1.00 0.00 H new ATOM 0 HA ASN A 27 -18.462 -2.366 2.136 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -17.613 -0.047 2.727 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -17.078 0.164 1.072 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -20.302 1.299 0.055 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -18.550 1.339 -0.166 1.00 0.00 H new ATOM 452 N LEU A 28 -17.005 -2.004 -0.780 1.00 0.00 N ATOM 453 CA LEU A 28 -17.182 -2.378 -2.215 1.00 0.00 C ATOM 454 C LEU A 28 -17.617 -3.840 -2.334 1.00 0.00 C ATOM 455 O LEU A 28 -18.238 -4.239 -3.299 1.00 0.00 O ATOM 456 CB LEU A 28 -15.814 -2.177 -2.849 1.00 0.00 C ATOM 457 CG LEU A 28 -15.881 -2.536 -4.335 1.00 0.00 C ATOM 458 CD1 LEU A 28 -16.887 -1.620 -5.037 1.00 0.00 C ATOM 459 CD2 LEU A 28 -14.500 -2.357 -4.967 1.00 0.00 C ATOM 0 H LEU A 28 -16.113 -1.565 -0.552 1.00 0.00 H new ATOM 0 HA LEU A 28 -17.950 -1.778 -2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -15.494 -1.142 -2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -15.074 -2.800 -2.347 1.00 0.00 H new ATOM 0 HG LEU A 28 -16.197 -3.573 -4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -16.935 -1.876 -6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -17.872 -1.749 -4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -16.572 -0.582 -4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.548 -2.613 -6.025 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -14.182 -1.320 -4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.784 -3.010 -4.468 1.00 0.00 H new ATOM 471 N GLN A 29 -17.294 -4.640 -1.357 1.00 0.00 N ATOM 472 CA GLN A 29 -17.687 -6.076 -1.407 1.00 0.00 C ATOM 473 C GLN A 29 -19.198 -6.214 -1.620 1.00 0.00 C ATOM 474 O GLN A 29 -19.668 -7.177 -2.192 1.00 0.00 O ATOM 475 CB GLN A 29 -17.282 -6.643 -0.053 1.00 0.00 C ATOM 476 CG GLN A 29 -15.760 -6.562 0.110 1.00 0.00 C ATOM 477 CD GLN A 29 -15.329 -7.098 1.487 1.00 0.00 C ATOM 478 OE1 GLN A 29 -14.152 -7.125 1.786 1.00 0.00 O ATOM 479 NE2 GLN A 29 -16.221 -7.523 2.348 1.00 0.00 N ATOM 0 H GLN A 29 -16.774 -4.361 -0.525 1.00 0.00 H new ATOM 0 HA GLN A 29 -17.207 -6.604 -2.231 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -17.773 -6.087 0.746 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -17.611 -7.679 0.031 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.274 -7.138 -0.678 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.432 -5.529 -0.002 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -17.212 -7.505 2.107 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.924 -7.872 3.259 1.00 0.00 H new ATOM 488 N ASN A 30 -19.964 -5.260 -1.163 1.00 0.00 N ATOM 489 CA ASN A 30 -21.443 -5.341 -1.339 1.00 0.00 C ATOM 490 C ASN A 30 -21.806 -5.408 -2.825 1.00 0.00 C ATOM 491 O ASN A 30 -22.796 -6.000 -3.206 1.00 0.00 O ATOM 492 CB ASN A 30 -21.992 -4.066 -0.713 1.00 0.00 C ATOM 493 CG ASN A 30 -21.688 -4.016 0.795 1.00 0.00 C ATOM 494 OD1 ASN A 30 -21.076 -5.012 1.388 1.00 0.00 O flip ATOM 495 ND2 ASN A 30 -22.025 -3.050 1.451 1.00 0.00 N flip ATOM 0 H ASN A 30 -19.630 -4.429 -0.676 1.00 0.00 H new ATOM 0 HA ASN A 30 -21.858 -6.235 -0.874 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -21.554 -3.197 -1.205 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -23.069 -4.013 -0.872 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -22.502 -2.269 1.001 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -21.831 -3.020 2.452 1.00 0.00 H new ATOM 502 N LEU A 31 -21.015 -4.805 -3.669 1.00 0.00 N ATOM 503 CA LEU A 31 -21.321 -4.837 -5.126 1.00 0.00 C ATOM 504 C LEU A 31 -21.257 -6.275 -5.649 1.00 0.00 C ATOM 505 O LEU A 31 -21.926 -6.632 -6.599 1.00 0.00 O ATOM 506 CB LEU A 31 -20.242 -3.983 -5.776 1.00 0.00 C ATOM 507 CG LEU A 31 -20.458 -3.948 -7.291 1.00 0.00 C ATOM 508 CD1 LEU A 31 -21.828 -3.341 -7.599 1.00 0.00 C ATOM 509 CD2 LEU A 31 -19.365 -3.097 -7.942 1.00 0.00 C ATOM 0 H LEU A 31 -20.171 -4.292 -3.413 1.00 0.00 H new ATOM 0 HA LEU A 31 -22.321 -4.464 -5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -20.271 -2.972 -5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -19.256 -4.389 -5.548 1.00 0.00 H new ATOM 0 HG LEU A 31 -20.414 -4.963 -7.687 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -21.981 -3.316 -8.678 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -22.607 -3.947 -7.136 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -21.874 -2.327 -7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -19.518 -3.071 -9.021 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -19.409 -2.083 -7.545 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -18.389 -3.530 -7.724 1.00 0.00 H new ATOM 521 N PHE A 32 -20.450 -7.098 -5.039 1.00 0.00 N ATOM 522 CA PHE A 32 -20.328 -8.506 -5.496 1.00 0.00 C ATOM 523 C PHE A 32 -21.567 -9.317 -5.102 1.00 0.00 C ATOM 524 O PHE A 32 -22.186 -9.962 -5.925 1.00 0.00 O ATOM 525 CB PHE A 32 -19.088 -9.042 -4.781 1.00 0.00 C ATOM 526 CG PHE A 32 -18.871 -10.488 -5.156 1.00 0.00 C ATOM 527 CD1 PHE A 32 -18.669 -10.843 -6.495 1.00 0.00 C ATOM 528 CD2 PHE A 32 -18.872 -11.474 -4.163 1.00 0.00 C ATOM 529 CE1 PHE A 32 -18.468 -12.185 -6.841 1.00 0.00 C ATOM 530 CE2 PHE A 32 -18.671 -12.815 -4.508 1.00 0.00 C ATOM 531 CZ PHE A 32 -18.469 -13.171 -5.847 1.00 0.00 C ATOM 0 H PHE A 32 -19.867 -6.852 -4.239 1.00 0.00 H new ATOM 0 HA PHE A 32 -20.245 -8.577 -6.580 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -18.214 -8.450 -5.054 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -19.210 -8.950 -3.702 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -18.668 -10.082 -7.261 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -19.028 -11.200 -3.130 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -18.312 -12.459 -7.874 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -18.672 -13.576 -3.741 1.00 0.00 H new ATOM 0 HZ PHE A 32 -18.314 -14.206 -6.113 1.00 0.00 H new ATOM 541 N ILE A 33 -21.928 -9.299 -3.847 1.00 0.00 N ATOM 542 CA ILE A 33 -23.118 -10.079 -3.398 1.00 0.00 C ATOM 543 C ILE A 33 -24.385 -9.555 -4.089 1.00 0.00 C ATOM 544 O ILE A 33 -25.265 -10.315 -4.440 1.00 0.00 O ATOM 545 CB ILE A 33 -23.166 -9.868 -1.874 1.00 0.00 C ATOM 546 CG1 ILE A 33 -24.249 -10.756 -1.227 1.00 0.00 C ATOM 547 CG2 ILE A 33 -23.456 -8.399 -1.564 1.00 0.00 C ATOM 548 CD1 ILE A 33 -25.657 -10.321 -1.656 1.00 0.00 C ATOM 0 H ILE A 33 -21.450 -8.777 -3.112 1.00 0.00 H new ATOM 0 HA ILE A 33 -23.056 -11.137 -3.651 1.00 0.00 H new ATOM 0 HB ILE A 33 -22.197 -10.147 -1.460 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -24.086 -11.796 -1.509 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -24.165 -10.703 -0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -23.489 -8.255 -0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -22.670 -7.775 -1.990 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -24.416 -8.118 -1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -26.397 -10.966 -1.183 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -25.828 -9.289 -1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -25.747 -10.399 -2.739 1.00 0.00 H new ATOM 560 N ASN A 34 -24.491 -8.269 -4.285 1.00 0.00 N ATOM 561 CA ASN A 34 -25.706 -7.718 -4.947 1.00 0.00 C ATOM 562 C ASN A 34 -25.806 -8.243 -6.381 1.00 0.00 C ATOM 563 O ASN A 34 -26.806 -8.810 -6.774 1.00 0.00 O ATOM 564 CB ASN A 34 -25.509 -6.199 -4.939 1.00 0.00 C ATOM 565 CG ASN A 34 -26.735 -5.482 -5.532 1.00 0.00 C ATOM 566 OD1 ASN A 34 -27.806 -6.156 -5.870 1.00 0.00 O flip ATOM 567 ND2 ASN A 34 -26.723 -4.275 -5.672 1.00 0.00 N flip ATOM 0 H ASN A 34 -23.790 -7.578 -4.016 1.00 0.00 H new ATOM 0 HA ASN A 34 -26.625 -8.009 -4.438 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -25.341 -5.856 -3.918 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -24.619 -5.941 -5.513 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -25.895 -3.740 -5.412 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -27.541 -3.797 -6.049 1.00 0.00 H new ATOM 574 N PHE A 35 -24.779 -8.062 -7.163 1.00 0.00 N ATOM 575 CA PHE A 35 -24.821 -8.553 -8.569 1.00 0.00 C ATOM 576 C PHE A 35 -25.042 -10.067 -8.592 1.00 0.00 C ATOM 577 O PHE A 35 -25.860 -10.574 -9.334 1.00 0.00 O ATOM 578 CB PHE A 35 -23.454 -8.198 -9.154 1.00 0.00 C ATOM 579 CG PHE A 35 -23.382 -8.669 -10.587 1.00 0.00 C ATOM 580 CD1 PHE A 35 -24.297 -8.185 -11.529 1.00 0.00 C ATOM 581 CD2 PHE A 35 -22.399 -9.589 -10.973 1.00 0.00 C ATOM 582 CE1 PHE A 35 -24.231 -8.621 -12.857 1.00 0.00 C ATOM 583 CE2 PHE A 35 -22.332 -10.025 -12.302 1.00 0.00 C ATOM 584 CZ PHE A 35 -23.248 -9.541 -13.244 1.00 0.00 C ATOM 0 H PHE A 35 -23.914 -7.596 -6.890 1.00 0.00 H new ATOM 0 HA PHE A 35 -25.635 -8.106 -9.140 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -23.294 -7.121 -9.106 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -22.663 -8.664 -8.567 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -25.054 -7.475 -11.231 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -21.693 -9.962 -10.246 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -24.938 -8.248 -13.584 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -21.574 -10.734 -12.600 1.00 0.00 H new ATOM 0 HZ PHE A 35 -23.197 -9.877 -14.269 1.00 0.00 H new ATOM 594 N CYS A 36 -24.324 -10.795 -7.783 1.00 0.00 N ATOM 595 CA CYS A 36 -24.505 -12.273 -7.759 1.00 0.00 C ATOM 596 C CYS A 36 -25.955 -12.606 -7.402 1.00 0.00 C ATOM 597 O CYS A 36 -26.553 -13.508 -7.955 1.00 0.00 O ATOM 598 CB CYS A 36 -23.552 -12.773 -6.674 1.00 0.00 C ATOM 599 SG CYS A 36 -23.695 -14.572 -6.524 1.00 0.00 S ATOM 0 H CYS A 36 -23.621 -10.432 -7.139 1.00 0.00 H new ATOM 0 HA CYS A 36 -24.295 -12.738 -8.722 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -22.527 -12.499 -6.922 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -23.788 -12.298 -5.721 1.00 0.00 H new ATOM 0 HG CYS A 36 -22.882 -14.997 -5.602 1.00 0.00 H new ATOM 605 N LEU A 37 -26.525 -11.874 -6.484 1.00 0.00 N ATOM 606 CA LEU A 37 -27.936 -12.130 -6.087 1.00 0.00 C ATOM 607 C LEU A 37 -28.849 -11.875 -7.289 1.00 0.00 C ATOM 608 O LEU A 37 -29.621 -12.724 -7.689 1.00 0.00 O ATOM 609 CB LEU A 37 -28.200 -11.121 -4.956 1.00 0.00 C ATOM 610 CG LEU A 37 -29.556 -11.380 -4.276 1.00 0.00 C ATOM 611 CD1 LEU A 37 -30.707 -11.140 -5.256 1.00 0.00 C ATOM 612 CD2 LEU A 37 -29.611 -12.819 -3.761 1.00 0.00 C ATOM 0 H LEU A 37 -26.070 -11.106 -5.990 1.00 0.00 H new ATOM 0 HA LEU A 37 -28.122 -13.153 -5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -27.402 -11.185 -4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -28.181 -10.108 -5.358 1.00 0.00 H new ATOM 0 HG LEU A 37 -29.661 -10.689 -3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -31.657 -11.329 -4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -30.679 -10.107 -5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -30.606 -11.813 -6.108 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -30.573 -12.997 -3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -29.489 -13.509 -4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -28.810 -12.978 -3.039 1.00 0.00 H new ATOM 624 N ILE A 38 -28.768 -10.706 -7.862 1.00 0.00 N ATOM 625 CA ILE A 38 -29.634 -10.385 -9.035 1.00 0.00 C ATOM 626 C ILE A 38 -29.233 -11.228 -10.251 1.00 0.00 C ATOM 627 O ILE A 38 -30.012 -11.438 -11.159 1.00 0.00 O ATOM 628 CB ILE A 38 -29.383 -8.901 -9.317 1.00 0.00 C ATOM 629 CG1 ILE A 38 -30.285 -8.443 -10.465 1.00 0.00 C ATOM 630 CG2 ILE A 38 -27.919 -8.689 -9.711 1.00 0.00 C ATOM 631 CD1 ILE A 38 -31.751 -8.635 -10.073 1.00 0.00 C ATOM 0 H ILE A 38 -28.140 -9.958 -7.570 1.00 0.00 H new ATOM 0 HA ILE A 38 -30.684 -10.598 -8.835 1.00 0.00 H new ATOM 0 HB ILE A 38 -29.604 -8.322 -8.420 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -30.094 -7.395 -10.695 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -30.061 -9.013 -11.367 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -27.745 -7.632 -9.911 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -27.272 -9.016 -8.897 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -27.696 -9.269 -10.607 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -32.392 -8.308 -10.892 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -31.937 -9.689 -9.865 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -31.970 -8.045 -9.183 1.00 0.00 H new ATOM 643 N LEU A 39 -28.016 -11.692 -10.283 1.00 0.00 N ATOM 644 CA LEU A 39 -27.544 -12.494 -11.434 1.00 0.00 C ATOM 645 C LEU A 39 -28.022 -13.951 -11.341 1.00 0.00 C ATOM 646 O LEU A 39 -28.249 -14.599 -12.344 1.00 0.00 O ATOM 647 CB LEU A 39 -26.020 -12.409 -11.331 1.00 0.00 C ATOM 648 CG LEU A 39 -25.384 -13.343 -12.349 1.00 0.00 C ATOM 649 CD1 LEU A 39 -25.796 -12.927 -13.762 1.00 0.00 C ATOM 650 CD2 LEU A 39 -23.861 -13.285 -12.216 1.00 0.00 C ATOM 0 H LEU A 39 -27.323 -11.545 -9.549 1.00 0.00 H new ATOM 0 HA LEU A 39 -27.929 -12.125 -12.385 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -25.691 -11.385 -11.507 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -25.698 -12.679 -10.325 1.00 0.00 H new ATOM 0 HG LEU A 39 -25.724 -14.362 -12.164 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -25.338 -13.599 -14.487 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -26.881 -12.978 -13.855 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -25.463 -11.907 -13.952 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -23.406 -13.955 -12.946 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -23.519 -12.266 -12.396 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -23.572 -13.593 -11.211 1.00 0.00 H new ATOM 662 N ILE A 40 -28.153 -14.480 -10.157 1.00 0.00 N ATOM 663 CA ILE A 40 -28.587 -15.898 -10.025 1.00 0.00 C ATOM 664 C ILE A 40 -30.093 -16.009 -9.780 1.00 0.00 C ATOM 665 O ILE A 40 -30.712 -16.996 -10.124 1.00 0.00 O ATOM 666 CB ILE A 40 -27.817 -16.435 -8.828 1.00 0.00 C ATOM 667 CG1 ILE A 40 -26.314 -16.314 -9.089 1.00 0.00 C ATOM 668 CG2 ILE A 40 -28.179 -17.904 -8.601 1.00 0.00 C ATOM 669 CD1 ILE A 40 -25.543 -16.854 -7.883 1.00 0.00 C ATOM 0 H ILE A 40 -27.979 -13.994 -9.278 1.00 0.00 H new ATOM 0 HA ILE A 40 -28.388 -16.459 -10.938 1.00 0.00 H new ATOM 0 HB ILE A 40 -28.079 -15.857 -7.942 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -26.044 -16.871 -9.986 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -26.048 -15.272 -9.268 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -27.626 -18.287 -7.743 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -29.249 -17.990 -8.411 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -27.920 -18.484 -9.487 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -24.472 -16.768 -8.068 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -25.805 -16.278 -6.996 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -25.801 -17.901 -7.725 1.00 0.00 H new ATOM 681 N PHE A 41 -30.689 -15.018 -9.181 1.00 0.00 N ATOM 682 CA PHE A 41 -32.147 -15.091 -8.912 1.00 0.00 C ATOM 683 C PHE A 41 -32.952 -14.684 -10.148 1.00 0.00 C ATOM 684 O PHE A 41 -34.087 -15.086 -10.313 1.00 0.00 O ATOM 685 CB PHE A 41 -32.394 -14.132 -7.746 1.00 0.00 C ATOM 686 CG PHE A 41 -31.873 -14.746 -6.462 1.00 0.00 C ATOM 687 CD1 PHE A 41 -30.510 -15.049 -6.314 1.00 0.00 C ATOM 688 CD2 PHE A 41 -32.764 -15.020 -5.418 1.00 0.00 C ATOM 689 CE1 PHE A 41 -30.047 -15.624 -5.124 1.00 0.00 C ATOM 690 CE2 PHE A 41 -32.298 -15.593 -4.228 1.00 0.00 C ATOM 691 CZ PHE A 41 -30.940 -15.895 -4.082 1.00 0.00 C ATOM 0 H PHE A 41 -30.229 -14.163 -8.867 1.00 0.00 H new ATOM 0 HA PHE A 41 -32.464 -16.105 -8.668 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -31.897 -13.180 -7.933 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -33.460 -13.922 -7.654 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.819 -14.839 -7.117 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -33.813 -14.789 -5.530 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -28.999 -15.859 -5.011 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -32.987 -15.802 -3.423 1.00 0.00 H new ATOM 0 HZ PHE A 41 -30.581 -16.337 -3.165 1.00 0.00 H new ATOM 701 N LEU A 42 -32.383 -13.902 -11.026 1.00 0.00 N ATOM 702 CA LEU A 42 -33.143 -13.501 -12.243 1.00 0.00 C ATOM 703 C LEU A 42 -33.535 -14.745 -13.044 1.00 0.00 C ATOM 704 O LEU A 42 -34.452 -14.719 -13.840 1.00 0.00 O ATOM 705 CB LEU A 42 -32.207 -12.572 -13.041 1.00 0.00 C ATOM 706 CG LEU A 42 -30.876 -13.264 -13.389 1.00 0.00 C ATOM 707 CD1 LEU A 42 -31.089 -14.322 -14.476 1.00 0.00 C ATOM 708 CD2 LEU A 42 -29.899 -12.216 -13.928 1.00 0.00 C ATOM 0 H LEU A 42 -31.437 -13.528 -10.955 1.00 0.00 H new ATOM 0 HA LEU A 42 -34.072 -12.984 -12.001 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -32.704 -12.257 -13.959 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -32.008 -11.671 -12.461 1.00 0.00 H new ATOM 0 HG LEU A 42 -30.484 -13.740 -12.491 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -30.138 -14.801 -14.709 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -31.795 -15.072 -14.120 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -31.486 -13.847 -15.373 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -28.952 -12.695 -14.178 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -30.318 -11.753 -14.821 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -29.730 -11.452 -13.169 1.00 0.00 H new ATOM 720 N LEU A 43 -32.845 -15.835 -12.839 1.00 0.00 N ATOM 721 CA LEU A 43 -33.174 -17.078 -13.584 1.00 0.00 C ATOM 722 C LEU A 43 -34.229 -17.893 -12.827 1.00 0.00 C ATOM 723 O LEU A 43 -35.102 -18.496 -13.418 1.00 0.00 O ATOM 724 CB LEU A 43 -31.856 -17.850 -13.663 1.00 0.00 C ATOM 725 CG LEU A 43 -32.080 -19.171 -14.401 1.00 0.00 C ATOM 726 CD1 LEU A 43 -32.567 -18.885 -15.823 1.00 0.00 C ATOM 727 CD2 LEU A 43 -30.765 -19.951 -14.459 1.00 0.00 C ATOM 0 H LEU A 43 -32.066 -15.915 -12.185 1.00 0.00 H new ATOM 0 HA LEU A 43 -33.587 -16.869 -14.571 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -31.104 -17.255 -14.182 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -31.474 -18.042 -12.660 1.00 0.00 H new ATOM 0 HG LEU A 43 -32.829 -19.760 -13.873 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -32.727 -19.826 -16.349 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -33.504 -18.329 -15.782 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -31.818 -18.296 -16.352 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -30.923 -20.893 -14.985 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -30.016 -19.362 -14.988 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -30.418 -20.155 -13.446 1.00 0.00 H new ATOM 739 N LEU A 44 -34.147 -17.922 -11.525 1.00 0.00 N ATOM 740 CA LEU A 44 -35.136 -18.704 -10.729 1.00 0.00 C ATOM 741 C LEU A 44 -36.543 -18.113 -10.873 1.00 0.00 C ATOM 742 O LEU A 44 -37.508 -18.826 -11.061 1.00 0.00 O ATOM 743 CB LEU A 44 -34.655 -18.589 -9.281 1.00 0.00 C ATOM 744 CG LEU A 44 -33.252 -19.186 -9.157 1.00 0.00 C ATOM 745 CD1 LEU A 44 -32.775 -19.068 -7.708 1.00 0.00 C ATOM 746 CD2 LEU A 44 -33.286 -20.662 -9.564 1.00 0.00 C ATOM 0 H LEU A 44 -33.437 -17.437 -10.977 1.00 0.00 H new ATOM 0 HA LEU A 44 -35.199 -19.739 -11.064 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -34.645 -17.544 -8.973 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -35.343 -19.111 -8.616 1.00 0.00 H new ATOM 0 HG LEU A 44 -32.568 -18.645 -9.811 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -31.775 -19.493 -7.618 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -32.750 -18.018 -7.418 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -33.459 -19.609 -7.054 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -32.286 -21.087 -9.476 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -33.970 -21.204 -8.911 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -33.626 -20.747 -10.596 1.00 0.00 H new ATOM 758 N ILE A 45 -36.670 -16.817 -10.774 1.00 0.00 N ATOM 759 CA ILE A 45 -38.017 -16.187 -10.894 1.00 0.00 C ATOM 760 C ILE A 45 -38.693 -16.594 -12.208 1.00 0.00 C ATOM 761 O ILE A 45 -39.897 -16.508 -12.348 1.00 0.00 O ATOM 762 CB ILE A 45 -37.754 -14.682 -10.875 1.00 0.00 C ATOM 763 CG1 ILE A 45 -36.843 -14.308 -12.047 1.00 0.00 C ATOM 764 CG2 ILE A 45 -37.072 -14.300 -9.560 1.00 0.00 C ATOM 765 CD1 ILE A 45 -36.590 -12.800 -12.037 1.00 0.00 C ATOM 0 H ILE A 45 -35.900 -16.167 -10.615 1.00 0.00 H new ATOM 0 HA ILE A 45 -38.684 -16.499 -10.090 1.00 0.00 H new ATOM 0 HB ILE A 45 -38.700 -14.148 -10.964 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -35.898 -14.846 -11.973 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -37.305 -14.603 -12.989 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -36.884 -13.226 -9.546 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -37.719 -14.566 -8.724 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -36.126 -14.835 -9.472 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -35.941 -12.534 -12.872 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -37.538 -12.271 -12.132 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -36.110 -12.518 -11.100 1.00 0.00 H new ATOM 777 N CYS A 46 -37.931 -17.028 -13.172 1.00 0.00 N ATOM 778 CA CYS A 46 -38.529 -17.429 -14.474 1.00 0.00 C ATOM 779 C CYS A 46 -39.072 -18.859 -14.407 1.00 0.00 C ATOM 780 O CYS A 46 -39.974 -19.227 -15.132 1.00 0.00 O ATOM 781 CB CYS A 46 -37.384 -17.340 -15.471 1.00 0.00 C ATOM 782 SG CYS A 46 -37.975 -17.796 -17.119 1.00 0.00 S ATOM 0 H CYS A 46 -36.917 -17.122 -13.114 1.00 0.00 H new ATOM 0 HA CYS A 46 -39.370 -16.793 -14.751 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -36.980 -16.328 -15.486 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -36.573 -18.003 -15.169 1.00 0.00 H new ATOM 0 HG CYS A 46 -36.994 -17.717 -17.969 1.00 0.00 H new ATOM 788 N ILE A 47 -38.523 -19.670 -13.550 1.00 0.00 N ATOM 789 CA ILE A 47 -38.991 -21.077 -13.440 1.00 0.00 C ATOM 790 C ILE A 47 -40.462 -21.142 -13.012 1.00 0.00 C ATOM 791 O ILE A 47 -41.222 -21.953 -13.502 1.00 0.00 O ATOM 792 CB ILE A 47 -38.096 -21.690 -12.367 1.00 0.00 C ATOM 793 CG1 ILE A 47 -36.638 -21.652 -12.833 1.00 0.00 C ATOM 794 CG2 ILE A 47 -38.514 -23.136 -12.122 1.00 0.00 C ATOM 795 CD1 ILE A 47 -36.498 -22.437 -14.138 1.00 0.00 C ATOM 0 H ILE A 47 -37.765 -19.417 -12.916 1.00 0.00 H new ATOM 0 HA ILE A 47 -38.930 -21.604 -14.392 1.00 0.00 H new ATOM 0 HB ILE A 47 -38.196 -21.121 -11.443 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -36.319 -20.620 -12.981 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -35.990 -22.079 -12.068 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -37.875 -23.575 -11.356 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -39.551 -23.163 -11.789 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -38.415 -23.705 -13.046 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -35.460 -22.410 -14.469 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -36.800 -23.472 -13.974 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -37.135 -21.990 -14.902 1.00 0.00 H new ATOM 807 N ILE A 48 -40.865 -20.311 -12.092 1.00 0.00 N ATOM 808 CA ILE A 48 -42.280 -20.348 -11.625 1.00 0.00 C ATOM 809 C ILE A 48 -43.206 -19.636 -12.617 1.00 0.00 C ATOM 810 O ILE A 48 -44.339 -20.029 -12.810 1.00 0.00 O ATOM 811 CB ILE A 48 -42.281 -19.624 -10.275 1.00 0.00 C ATOM 812 CG1 ILE A 48 -41.903 -18.153 -10.472 1.00 0.00 C ATOM 813 CG2 ILE A 48 -41.265 -20.285 -9.342 1.00 0.00 C ATOM 814 CD1 ILE A 48 -41.919 -17.437 -9.120 1.00 0.00 C ATOM 0 H ILE A 48 -40.277 -19.608 -11.643 1.00 0.00 H new ATOM 0 HA ILE A 48 -42.646 -21.371 -11.541 1.00 0.00 H new ATOM 0 HB ILE A 48 -43.278 -19.685 -9.838 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -40.914 -18.078 -10.924 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -42.603 -17.675 -11.157 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -41.265 -19.771 -8.381 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -41.534 -21.331 -9.194 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -40.271 -20.225 -9.786 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -41.650 -16.390 -9.260 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -42.917 -17.501 -8.686 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -41.201 -17.910 -8.449 1.00 0.00 H new ATOM 826 N VAL A 49 -42.740 -18.589 -13.240 1.00 0.00 N ATOM 827 CA VAL A 49 -43.605 -17.854 -14.208 1.00 0.00 C ATOM 828 C VAL A 49 -43.789 -18.665 -15.495 1.00 0.00 C ATOM 829 O VAL A 49 -44.812 -18.585 -16.147 1.00 0.00 O ATOM 830 CB VAL A 49 -42.859 -16.551 -14.498 1.00 0.00 C ATOM 831 CG1 VAL A 49 -43.667 -15.714 -15.493 1.00 0.00 C ATOM 832 CG2 VAL A 49 -42.681 -15.766 -13.197 1.00 0.00 C ATOM 0 H VAL A 49 -41.800 -18.211 -13.122 1.00 0.00 H new ATOM 0 HA VAL A 49 -44.603 -17.675 -13.807 1.00 0.00 H new ATOM 0 HB VAL A 49 -41.881 -16.777 -14.922 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -43.137 -14.785 -15.701 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -43.795 -16.274 -16.419 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -44.645 -15.487 -15.068 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -42.149 -14.837 -13.402 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -43.659 -15.538 -12.773 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -42.108 -16.363 -12.487 1.00 0.00 H new ATOM 842 N MET A 50 -42.809 -19.439 -15.870 1.00 0.00 N ATOM 843 CA MET A 50 -42.934 -20.243 -17.116 1.00 0.00 C ATOM 844 C MET A 50 -43.689 -21.554 -16.858 1.00 0.00 C ATOM 845 O MET A 50 -43.923 -22.329 -17.763 1.00 0.00 O ATOM 846 CB MET A 50 -41.503 -20.524 -17.552 1.00 0.00 C ATOM 847 CG MET A 50 -40.795 -19.206 -17.880 1.00 0.00 C ATOM 848 SD MET A 50 -41.633 -18.392 -19.262 1.00 0.00 S ATOM 849 CE MET A 50 -40.552 -16.944 -19.362 1.00 0.00 C ATOM 0 H MET A 50 -41.928 -19.549 -15.368 1.00 0.00 H new ATOM 0 HA MET A 50 -43.500 -19.712 -17.881 1.00 0.00 H new ATOM 0 HB2 MET A 50 -40.968 -21.048 -16.760 1.00 0.00 H new ATOM 0 HB3 MET A 50 -41.500 -21.177 -18.425 1.00 0.00 H new ATOM 0 HG2 MET A 50 -40.796 -18.554 -17.006 1.00 0.00 H new ATOM 0 HG3 MET A 50 -39.752 -19.396 -18.135 1.00 0.00 H new ATOM 0 HE1 MET A 50 -40.913 -16.274 -20.142 1.00 0.00 H new ATOM 0 HE2 MET A 50 -40.554 -16.422 -18.405 1.00 0.00 H new ATOM 0 HE3 MET A 50 -39.537 -17.263 -19.599 1.00 0.00 H new ATOM 859 N LEU A 51 -44.074 -21.811 -15.636 1.00 0.00 N ATOM 860 CA LEU A 51 -44.813 -23.074 -15.343 1.00 0.00 C ATOM 861 C LEU A 51 -46.196 -22.760 -14.767 1.00 0.00 C ATOM 862 O LEU A 51 -47.170 -23.418 -15.073 1.00 0.00 O ATOM 863 CB LEU A 51 -43.955 -23.808 -14.311 1.00 0.00 C ATOM 864 CG LEU A 51 -42.596 -24.143 -14.925 1.00 0.00 C ATOM 865 CD1 LEU A 51 -41.740 -24.883 -13.896 1.00 0.00 C ATOM 866 CD2 LEU A 51 -42.798 -25.032 -16.153 1.00 0.00 C ATOM 0 H LEU A 51 -43.910 -21.205 -14.832 1.00 0.00 H new ATOM 0 HA LEU A 51 -44.973 -23.673 -16.239 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -43.823 -23.188 -13.425 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -44.456 -24.721 -13.989 1.00 0.00 H new ATOM 0 HG LEU A 51 -42.094 -23.222 -15.221 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -40.771 -25.122 -14.333 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -41.597 -24.251 -13.020 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -42.242 -25.804 -13.600 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -41.830 -25.272 -16.592 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -43.300 -25.953 -15.857 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -43.409 -24.506 -16.887 1.00 0.00 H new ATOM 878 N LEU A 52 -46.290 -21.760 -13.934 1.00 0.00 N ATOM 879 CA LEU A 52 -47.611 -21.407 -13.340 1.00 0.00 C ATOM 880 C LEU A 52 -47.940 -19.937 -13.617 1.00 0.00 C ATOM 881 O LEU A 52 -48.688 -19.361 -12.844 1.00 0.00 O ATOM 882 CB LEU A 52 -47.445 -21.647 -11.839 1.00 0.00 C ATOM 883 CG LEU A 52 -47.079 -23.112 -11.595 1.00 0.00 C ATOM 884 CD1 LEU A 52 -46.924 -23.357 -10.092 1.00 0.00 C ATOM 885 CD2 LEU A 52 -48.187 -24.013 -12.145 1.00 0.00 C ATOM 886 OXT LEU A 52 -47.437 -19.412 -14.597 1.00 0.00 O ATOM 0 H LEU A 52 -45.510 -21.172 -13.639 1.00 0.00 H new ATOM 0 HA LEU A 52 -48.425 -21.998 -13.760 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -46.668 -20.995 -11.439 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -48.369 -21.400 -11.316 1.00 0.00 H new ATOM 0 HG LEU A 52 -46.140 -23.340 -12.099 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -46.663 -24.401 -9.919 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -46.135 -22.716 -9.698 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -47.863 -23.129 -9.587 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -47.927 -25.057 -11.971 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -49.126 -23.784 -11.641 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -48.299 -23.840 -13.215 1.00 0.00 H new TER 898 LEU A 52 END