USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 688 hydrogens (0 hets) HEADER NEUROPEPTIDE 18-FEB-02 1IU0 TITLE THE FIRST PDZ DOMAIN OF PSD-95 COMPND MOL_ID: 1; COMPND 2 MOLECULE: PSD-95; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: PDZ1 DOMAIN; COMPND 5 SYNONYM: PRESYNAPTIC DENSITY PROTEIN 95; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: NORWAY RAT; SOURCE 4 ORGANISM_TAXID: 10116; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS PSD-95, PDZ DOMAIN, POST SYNAPTIC DENSITY, NEUROPEPTIDE EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR J.-F.LONG,H.TOCHIO,P.WANG,C.SALA,M.NIETHAMMER,M.SHENG, AUTHOR 2 M.ZHANG REVDAT 2 24-FEB-09 1IU0 1 VERSN REVDAT 1 11-MAR-03 1IU0 0 JRNL AUTH J.-F.LONG,H.TOCHIO,P.WANG,J.-S.FAN,C.SALA, JRNL AUTH 2 M.NIETHAMMER,M.SHENG,M.ZHANG JRNL TITL SUPRAMODULAR STRUCTURE AND SYNERGISTIC TARGET JRNL TITL 2 BINDING OF THE N-TERMINAL TANDEM PDZ DOMAINS OF JRNL TITL 3 PSD-95 JRNL REF J.MOL.BIOL. V. 327 203 2003 JRNL REFN ISSN 0022-2836 JRNL PMID 12614619 JRNL DOI 10.1016/S0022-2836(03)00113-X REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1IU0 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 20-FEB-02. REMARK 100 THE RCSB ID CODE IS RCSB005273. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 6.8 REMARK 210 IONIC STRENGTH : 100MM KCL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 20MM KPI; 20MM KPI REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 3D_13C-SEPARATED_ REMARK 210 NOESY, 3D_15N-SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 750 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CNS 1.1, NMRPIPE 1.8 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 200 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : ENERGY MINIMIZED AVERAGED REMARK 210 ACCEPTED STRUCTURE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG A 10 92.29 -52.37 REMARK 500 PRO A 26 73.20 -69.46 REMARK 500 ILE A 28 -157.36 -79.25 REMARK 500 ASP A 30 61.32 177.41 REMARK 500 LYS A 38 136.17 -172.13 REMARK 500 ASN A 61 -68.84 70.98 REMARK 500 GLU A 62 31.17 -153.56 REMARK 500 SER A 82 -93.01 -128.16 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1IU2 RELATED DB: PDB REMARK 900 1IU2 IS ENSEMBLE STRUCTURE, 50 STRUCTURES DBREF 1IU0 A 1 91 UNP P31016 DLG4_RAT 61 151 SEQRES 1 A 91 MET GLU TYR GLU GLU ILE THR LEU GLU ARG GLY ASN SER SEQRES 2 A 91 GLY LEU GLY PHE SER ILE ALA GLY GLY THR ASP ASN PRO SEQRES 3 A 91 HIS ILE GLY ASP ASP PRO SER ILE PHE ILE THR LYS ILE SEQRES 4 A 91 ILE PRO GLY GLY ALA ALA ALA GLN ASP GLY ARG LEU ARG SEQRES 5 A 91 VAL ASN ASP SER ILE LEU PHE VAL ASN GLU VAL ASP VAL SEQRES 6 A 91 ARG GLU VAL THR HIS SER ALA ALA VAL GLU ALA LEU LYS SEQRES 7 A 91 GLU ALA GLY SER ILE VAL ARG LEU TYR VAL MET ARG ARG HELIX 1 1 GLY A 43 GLY A 49 1 7 HELIX 2 2 THR A 69 GLU A 79 1 11 SHEET 1 A 3 GLU A 2 GLU A 9 0 SHEET 2 A 3 ILE A 83 ARG A 90 -1 O LEU A 86 N ILE A 6 SHEET 3 A 3 PHE A 59 VAL A 60 -1 N PHE A 59 O TYR A 87 SHEET 1 B 2 PHE A 17 ALA A 20 0 SHEET 2 B 2 PHE A 35 ILE A 39 -1 O PHE A 35 N ALA A 20 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 70 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-3!) USER MOD Set 1.2: A 71 SER OG : rot 180:sc= -0.0137 USER MOD Set 2.1: A 56 SER OG : rot 140:sc= -0.262 USER MOD Set 2.2: A 89 MET CE :methyl -145:sc= -0.41 (180deg=-0.664) USER MOD Single : A 1 MET CE :methyl -131:sc= -0.718 (180deg=-4.93!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.478 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 91:sc= -2.46 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 27 HIS :FLIP no HE2:sc= -3.74! C(o=-10!,f=-3.7!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc=-6.23e-06 K(o=-6.2e-06,f=-2.8!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -2.75! C(o=-2.8!,f=-2.8!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.198 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 132.999 16.630 -5.776 1.00 1.32 N ATOM 2 CA MET A 1 132.898 15.395 -4.951 1.00 1.17 C ATOM 3 C MET A 1 133.704 15.523 -3.660 1.00 1.11 C ATOM 4 O MET A 1 134.923 15.708 -3.692 1.00 1.43 O ATOM 5 CB MET A 1 133.405 14.208 -5.778 1.00 1.31 C ATOM 6 CG MET A 1 132.499 12.988 -5.713 1.00 1.74 C ATOM 7 SD MET A 1 132.961 11.713 -6.902 1.00 2.38 S ATOM 8 CE MET A 1 132.706 12.576 -8.450 1.00 3.11 C ATOM 0 H1 MET A 1 132.441 16.513 -6.646 1.00 1.32 H new ATOM 0 H2 MET A 1 132.632 17.439 -5.236 1.00 1.32 H new ATOM 0 H3 MET A 1 133.994 16.802 -6.023 1.00 1.32 H new ATOM 0 HA MET A 1 131.856 15.239 -4.672 1.00 1.17 H new ATOM 0 HB2 MET A 1 133.508 14.518 -6.818 1.00 1.31 H new ATOM 0 HB3 MET A 1 134.399 13.931 -5.428 1.00 1.31 H new ATOM 0 HG2 MET A 1 132.532 12.570 -4.707 1.00 1.74 H new ATOM 0 HG3 MET A 1 131.469 13.295 -5.897 1.00 1.74 H new ATOM 0 HE1 MET A 1 132.115 11.953 -9.121 1.00 3.11 H new ATOM 0 HE2 MET A 1 132.177 13.511 -8.263 1.00 3.11 H new ATOM 0 HE3 MET A 1 133.671 12.791 -8.910 1.00 3.11 H new ATOM 20 N GLU A 2 133.013 15.419 -2.525 1.00 1.00 N ATOM 21 CA GLU A 2 133.657 15.520 -1.217 1.00 0.98 C ATOM 22 C GLU A 2 134.181 14.157 -0.769 1.00 0.88 C ATOM 23 O GLU A 2 133.507 13.140 -0.937 1.00 1.05 O ATOM 24 CB GLU A 2 132.673 16.072 -0.182 1.00 1.11 C ATOM 25 CG GLU A 2 133.315 16.994 0.843 1.00 1.39 C ATOM 26 CD GLU A 2 133.458 16.343 2.205 1.00 1.87 C ATOM 27 OE1 GLU A 2 132.499 16.415 3.002 1.00 2.40 O ATOM 28 OE2 GLU A 2 134.529 15.759 2.474 1.00 2.53 O ATOM 0 H GLU A 2 132.006 15.265 -2.486 1.00 1.00 H new ATOM 0 HA GLU A 2 134.501 16.205 -1.302 1.00 0.98 H new ATOM 0 HB2 GLU A 2 131.882 16.614 -0.700 1.00 1.11 H new ATOM 0 HB3 GLU A 2 132.201 15.238 0.338 1.00 1.11 H new ATOM 0 HG2 GLU A 2 134.298 17.300 0.486 1.00 1.39 H new ATOM 0 HG3 GLU A 2 132.715 17.899 0.938 1.00 1.39 H new ATOM 35 N TYR A 3 135.389 14.141 -0.203 1.00 0.76 N ATOM 36 CA TYR A 3 135.999 12.895 0.260 1.00 0.69 C ATOM 37 C TYR A 3 135.964 12.801 1.784 1.00 0.69 C ATOM 38 O TYR A 3 136.484 13.676 2.481 1.00 0.88 O ATOM 39 CB TYR A 3 137.443 12.779 -0.243 1.00 0.76 C ATOM 40 CG TYR A 3 137.610 13.057 -1.725 1.00 0.78 C ATOM 41 CD1 TYR A 3 136.582 12.803 -2.627 1.00 1.46 C ATOM 42 CD2 TYR A 3 138.799 13.579 -2.219 1.00 1.43 C ATOM 43 CE1 TYR A 3 136.735 13.061 -3.975 1.00 1.52 C ATOM 44 CE2 TYR A 3 138.959 13.839 -3.567 1.00 1.51 C ATOM 45 CZ TYR A 3 137.924 13.579 -4.440 1.00 1.01 C ATOM 46 OH TYR A 3 138.079 13.838 -5.783 1.00 1.17 O ATOM 0 H TYR A 3 135.961 14.972 -0.055 1.00 0.76 H new ATOM 0 HA TYR A 3 135.419 12.068 -0.149 1.00 0.69 H new ATOM 0 HB2 TYR A 3 138.068 13.474 0.318 1.00 0.76 H new ATOM 0 HB3 TYR A 3 137.811 11.775 -0.029 1.00 0.76 H new ATOM 0 HD1 TYR A 3 135.648 12.397 -2.267 1.00 1.46 H new ATOM 0 HD2 TYR A 3 139.612 13.785 -1.538 1.00 1.43 H new ATOM 0 HE1 TYR A 3 135.926 12.858 -4.661 1.00 1.52 H new ATOM 0 HE2 TYR A 3 139.890 14.244 -3.935 1.00 1.51 H new ATOM 0 HH TYR A 3 138.975 14.201 -5.945 1.00 1.17 H new ATOM 56 N GLU A 4 135.346 11.734 2.296 1.00 0.57 N ATOM 57 CA GLU A 4 135.237 11.524 3.741 1.00 0.58 C ATOM 58 C GLU A 4 135.751 10.143 4.144 1.00 0.53 C ATOM 59 O GLU A 4 135.667 9.188 3.369 1.00 0.54 O ATOM 60 CB GLU A 4 133.782 11.685 4.192 1.00 0.63 C ATOM 61 CG GLU A 4 133.265 13.112 4.097 1.00 1.11 C ATOM 62 CD GLU A 4 132.247 13.294 2.987 1.00 1.73 C ATOM 63 OE1 GLU A 4 132.638 13.220 1.804 1.00 2.39 O ATOM 64 OE2 GLU A 4 131.059 13.513 3.301 1.00 2.34 O ATOM 0 H GLU A 4 134.914 11.003 1.732 1.00 0.57 H new ATOM 0 HA GLU A 4 135.855 12.275 4.232 1.00 0.58 H new ATOM 0 HB2 GLU A 4 133.149 11.038 3.585 1.00 0.63 H new ATOM 0 HB3 GLU A 4 133.691 11.343 5.223 1.00 0.63 H new ATOM 0 HG2 GLU A 4 132.814 13.394 5.048 1.00 1.11 H new ATOM 0 HG3 GLU A 4 134.104 13.787 3.929 1.00 1.11 H new ATOM 71 N GLU A 5 136.277 10.046 5.366 1.00 0.59 N ATOM 72 CA GLU A 5 136.801 8.784 5.885 1.00 0.55 C ATOM 73 C GLU A 5 135.830 8.160 6.891 1.00 0.55 C ATOM 74 O GLU A 5 135.158 8.872 7.641 1.00 0.60 O ATOM 75 CB GLU A 5 138.177 8.996 6.531 1.00 0.59 C ATOM 76 CG GLU A 5 138.130 9.691 7.886 1.00 1.50 C ATOM 77 CD GLU A 5 138.492 8.764 9.034 1.00 1.90 C ATOM 78 OE1 GLU A 5 137.699 7.845 9.330 1.00 2.39 O ATOM 79 OE2 GLU A 5 139.568 8.959 9.637 1.00 2.45 O ATOM 0 H GLU A 5 136.351 10.829 6.015 1.00 0.59 H new ATOM 0 HA GLU A 5 136.912 8.096 5.047 1.00 0.55 H new ATOM 0 HB2 GLU A 5 138.664 8.028 6.648 1.00 0.59 H new ATOM 0 HB3 GLU A 5 138.797 9.585 5.855 1.00 0.59 H new ATOM 0 HG2 GLU A 5 138.815 10.538 7.879 1.00 1.50 H new ATOM 0 HG3 GLU A 5 137.130 10.092 8.050 1.00 1.50 H new ATOM 86 N ILE A 6 135.762 6.828 6.900 1.00 0.49 N ATOM 87 CA ILE A 6 134.876 6.108 7.808 1.00 0.49 C ATOM 88 C ILE A 6 135.598 4.945 8.485 1.00 0.48 C ATOM 89 O ILE A 6 135.900 3.933 7.852 1.00 0.43 O ATOM 90 CB ILE A 6 133.612 5.580 7.079 1.00 0.45 C ATOM 91 CG1 ILE A 6 132.633 4.959 8.085 1.00 0.58 C ATOM 92 CG2 ILE A 6 133.971 4.583 5.986 1.00 0.67 C ATOM 93 CD1 ILE A 6 132.633 3.443 8.105 1.00 0.85 C ATOM 0 H ILE A 6 136.312 6.227 6.286 1.00 0.49 H new ATOM 0 HA ILE A 6 134.564 6.822 8.570 1.00 0.49 H new ATOM 0 HB ILE A 6 133.125 6.429 6.599 1.00 0.45 H new ATOM 0 HG12 ILE A 6 132.877 5.323 9.083 1.00 0.58 H new ATOM 0 HG13 ILE A 6 131.626 5.307 7.856 1.00 0.58 H new ATOM 0 HG21 ILE A 6 133.061 4.235 5.498 1.00 0.67 H new ATOM 0 HG22 ILE A 6 134.616 5.065 5.251 1.00 0.67 H new ATOM 0 HG23 ILE A 6 134.494 3.734 6.426 1.00 0.67 H new ATOM 0 HD11 ILE A 6 131.913 3.089 8.843 1.00 0.85 H new ATOM 0 HD12 ILE A 6 132.358 3.066 7.120 1.00 0.85 H new ATOM 0 HD13 ILE A 6 133.628 3.083 8.366 1.00 0.85 H new ATOM 105 N THR A 7 135.858 5.087 9.782 1.00 0.55 N ATOM 106 CA THR A 7 136.525 4.035 10.541 1.00 0.56 C ATOM 107 C THR A 7 135.515 2.942 10.872 1.00 0.55 C ATOM 108 O THR A 7 134.535 3.189 11.578 1.00 0.58 O ATOM 109 CB THR A 7 137.152 4.596 11.825 1.00 0.64 C ATOM 110 OG1 THR A 7 137.462 5.973 11.681 1.00 0.92 O ATOM 111 CG2 THR A 7 138.424 3.884 12.231 1.00 0.81 C ATOM 0 H THR A 7 135.618 5.916 10.326 1.00 0.55 H new ATOM 0 HA THR A 7 137.330 3.616 9.937 1.00 0.56 H new ATOM 0 HB THR A 7 136.400 4.441 12.599 1.00 0.64 H new ATOM 0 HG1 THR A 7 137.859 6.308 12.512 1.00 0.92 H new ATOM 0 HG21 THR A 7 138.815 4.330 13.146 1.00 0.81 H new ATOM 0 HG22 THR A 7 138.211 2.829 12.404 1.00 0.81 H new ATOM 0 HG23 THR A 7 139.164 3.979 11.436 1.00 0.81 H new ATOM 119 N LEU A 8 135.732 1.746 10.326 1.00 0.51 N ATOM 120 CA LEU A 8 134.807 0.639 10.537 1.00 0.51 C ATOM 121 C LEU A 8 135.489 -0.613 11.059 1.00 0.53 C ATOM 122 O LEU A 8 136.433 -1.107 10.451 1.00 0.52 O ATOM 123 CB LEU A 8 134.109 0.311 9.229 1.00 0.45 C ATOM 124 CG LEU A 8 132.624 0.013 9.375 1.00 0.45 C ATOM 125 CD1 LEU A 8 131.928 1.139 10.129 1.00 0.49 C ATOM 126 CD2 LEU A 8 131.986 -0.203 8.013 1.00 0.41 C ATOM 0 H LEU A 8 136.535 1.522 9.739 1.00 0.51 H new ATOM 0 HA LEU A 8 134.093 0.961 11.295 1.00 0.51 H new ATOM 0 HB2 LEU A 8 134.235 1.148 8.543 1.00 0.45 H new ATOM 0 HB3 LEU A 8 134.598 -0.550 8.774 1.00 0.45 H new ATOM 0 HG LEU A 8 132.509 -0.905 9.951 1.00 0.45 H new ATOM 0 HD11 LEU A 8 130.867 0.911 10.225 1.00 0.49 H new ATOM 0 HD12 LEU A 8 132.369 1.240 11.121 1.00 0.49 H new ATOM 0 HD13 LEU A 8 132.050 2.073 9.581 1.00 0.49 H new ATOM 0 HD21 LEU A 8 130.924 -0.415 8.138 1.00 0.41 H new ATOM 0 HD22 LEU A 8 132.108 0.695 7.408 1.00 0.41 H new ATOM 0 HD23 LEU A 8 132.468 -1.044 7.515 1.00 0.41 H new ATOM 138 N GLU A 9 134.977 -1.129 12.178 1.00 0.57 N ATOM 139 CA GLU A 9 135.515 -2.339 12.791 1.00 0.61 C ATOM 140 C GLU A 9 134.957 -3.597 12.139 1.00 0.60 C ATOM 141 O GLU A 9 133.847 -4.026 12.444 1.00 0.60 O ATOM 142 CB GLU A 9 135.237 -2.358 14.302 1.00 0.67 C ATOM 143 CG GLU A 9 133.787 -2.065 14.675 1.00 1.03 C ATOM 144 CD GLU A 9 133.108 -3.235 15.362 1.00 1.33 C ATOM 145 OE1 GLU A 9 133.521 -3.587 16.488 1.00 1.96 O ATOM 146 OE2 GLU A 9 132.159 -3.799 14.776 1.00 1.86 O ATOM 0 H GLU A 9 134.186 -0.723 12.678 1.00 0.57 H new ATOM 0 HA GLU A 9 136.593 -2.328 12.632 1.00 0.61 H new ATOM 0 HB2 GLU A 9 135.512 -3.335 14.698 1.00 0.67 H new ATOM 0 HB3 GLU A 9 135.881 -1.625 14.788 1.00 0.67 H new ATOM 0 HG2 GLU A 9 133.754 -1.195 15.331 1.00 1.03 H new ATOM 0 HG3 GLU A 9 133.230 -1.806 13.774 1.00 1.03 H new ATOM 153 N ARG A 10 135.757 -4.188 11.250 1.00 0.60 N ATOM 154 CA ARG A 10 135.388 -5.411 10.548 1.00 0.60 C ATOM 155 C ARG A 10 134.954 -6.486 11.538 1.00 0.66 C ATOM 156 O ARG A 10 135.777 -7.239 12.066 1.00 0.73 O ATOM 157 CB ARG A 10 136.565 -5.916 9.717 1.00 0.63 C ATOM 158 CG ARG A 10 136.342 -5.775 8.230 1.00 0.76 C ATOM 159 CD ARG A 10 136.736 -7.040 7.487 1.00 0.78 C ATOM 160 NE ARG A 10 135.733 -7.427 6.495 1.00 1.27 N ATOM 161 CZ ARG A 10 135.473 -8.690 6.143 1.00 1.59 C ATOM 162 NH1 ARG A 10 136.160 -9.698 6.675 1.00 1.78 N ATOM 163 NH2 ARG A 10 134.524 -8.943 5.250 1.00 2.28 N ATOM 0 H ARG A 10 136.678 -3.830 10.999 1.00 0.60 H new ATOM 0 HA ARG A 10 134.552 -5.188 9.885 1.00 0.60 H new ATOM 0 HB2 ARG A 10 137.463 -5.366 9.998 1.00 0.63 H new ATOM 0 HB3 ARG A 10 136.746 -6.964 9.954 1.00 0.63 H new ATOM 0 HG2 ARG A 10 135.293 -5.550 8.038 1.00 0.76 H new ATOM 0 HG3 ARG A 10 136.923 -4.934 7.852 1.00 0.76 H new ATOM 0 HD2 ARG A 10 137.695 -6.886 6.992 1.00 0.78 H new ATOM 0 HD3 ARG A 10 136.872 -7.852 8.201 1.00 0.78 H new ATOM 0 HE ARG A 10 135.198 -6.686 6.043 1.00 1.27 H new ATOM 0 HH11 ARG A 10 136.893 -9.511 7.359 1.00 1.78 H new ATOM 0 HH12 ARG A 10 135.953 -10.658 6.399 1.00 1.78 H new ATOM 0 HH21 ARG A 10 133.996 -8.175 4.835 1.00 2.28 H new ATOM 0 HH22 ARG A 10 134.323 -9.905 4.979 1.00 2.28 H new ATOM 177 N GLY A 11 133.657 -6.529 11.791 1.00 0.65 N ATOM 178 CA GLY A 11 133.095 -7.491 12.728 1.00 0.73 C ATOM 179 C GLY A 11 133.233 -8.932 12.264 1.00 0.90 C ATOM 180 O GLY A 11 133.899 -9.211 11.264 1.00 1.43 O ATOM 0 H GLY A 11 132.971 -5.909 11.361 1.00 0.65 H new ATOM 0 HA2 GLY A 11 133.588 -7.378 13.693 1.00 0.73 H new ATOM 0 HA3 GLY A 11 132.040 -7.265 12.881 1.00 0.73 H new ATOM 184 N ASN A 12 132.598 -9.848 12.998 1.00 1.18 N ATOM 185 CA ASN A 12 132.644 -11.274 12.669 1.00 1.53 C ATOM 186 C ASN A 12 132.173 -11.525 11.237 1.00 1.43 C ATOM 187 O ASN A 12 132.802 -12.279 10.493 1.00 1.66 O ATOM 188 CB ASN A 12 131.781 -12.076 13.649 1.00 1.92 C ATOM 189 CG ASN A 12 132.480 -12.314 14.976 1.00 2.57 C ATOM 190 OD1 ASN A 12 132.417 -11.480 15.880 1.00 3.11 O ATOM 191 ND2 ASN A 12 133.151 -13.454 15.100 1.00 3.12 N ATOM 0 H ASN A 12 132.045 -9.627 13.826 1.00 1.18 H new ATOM 0 HA ASN A 12 133.680 -11.603 12.753 1.00 1.53 H new ATOM 0 HB2 ASN A 12 130.846 -11.544 13.824 1.00 1.92 H new ATOM 0 HB3 ASN A 12 131.523 -13.035 13.200 1.00 1.92 H new ATOM 0 HD21 ASN A 12 133.640 -13.666 15.970 1.00 3.12 H new ATOM 0 HD22 ASN A 12 133.177 -14.117 14.325 1.00 3.12 H new ATOM 198 N SER A 13 131.068 -10.881 10.855 1.00 1.23 N ATOM 199 CA SER A 13 130.517 -11.028 9.509 1.00 1.20 C ATOM 200 C SER A 13 131.310 -10.208 8.488 1.00 1.05 C ATOM 201 O SER A 13 131.318 -10.534 7.299 1.00 1.17 O ATOM 202 CB SER A 13 129.047 -10.601 9.487 1.00 1.27 C ATOM 203 OG SER A 13 128.236 -11.524 10.193 1.00 1.84 O ATOM 0 H SER A 13 130.538 -10.253 11.460 1.00 1.23 H new ATOM 0 HA SER A 13 130.592 -12.080 9.234 1.00 1.20 H new ATOM 0 HB2 SER A 13 128.946 -9.610 9.931 1.00 1.27 H new ATOM 0 HB3 SER A 13 128.703 -10.525 8.456 1.00 1.27 H new ATOM 0 HG SER A 13 127.302 -11.227 10.165 1.00 1.84 H new ATOM 209 N GLY A 14 131.975 -9.144 8.953 1.00 0.84 N ATOM 210 CA GLY A 14 132.754 -8.303 8.064 1.00 0.78 C ATOM 211 C GLY A 14 132.587 -6.830 8.375 1.00 0.63 C ATOM 212 O GLY A 14 132.214 -6.465 9.491 1.00 0.62 O ATOM 0 H GLY A 14 131.984 -8.855 9.931 1.00 0.84 H new ATOM 0 HA2 GLY A 14 133.807 -8.572 8.143 1.00 0.78 H new ATOM 0 HA3 GLY A 14 132.454 -8.491 7.033 1.00 0.78 H new ATOM 216 N LEU A 15 132.859 -5.981 7.389 1.00 0.63 N ATOM 217 CA LEU A 15 132.733 -4.539 7.570 1.00 0.57 C ATOM 218 C LEU A 15 131.265 -4.140 7.751 1.00 0.50 C ATOM 219 O LEU A 15 130.919 -3.511 8.746 1.00 0.65 O ATOM 220 CB LEU A 15 133.372 -3.800 6.396 1.00 0.67 C ATOM 221 CG LEU A 15 134.083 -2.494 6.757 1.00 0.52 C ATOM 222 CD1 LEU A 15 135.134 -2.728 7.832 1.00 1.21 C ATOM 223 CD2 LEU A 15 134.718 -1.876 5.522 1.00 1.36 C ATOM 0 H LEU A 15 133.167 -6.265 6.459 1.00 0.63 H new ATOM 0 HA LEU A 15 133.264 -4.253 8.478 1.00 0.57 H new ATOM 0 HB2 LEU A 15 134.090 -4.465 5.916 1.00 0.67 H new ATOM 0 HB3 LEU A 15 132.598 -3.582 5.660 1.00 0.67 H new ATOM 0 HG LEU A 15 133.340 -1.801 7.152 1.00 0.52 H new ATOM 0 HD11 LEU A 15 135.626 -1.785 8.072 1.00 1.21 H new ATOM 0 HD12 LEU A 15 134.656 -3.126 8.727 1.00 1.21 H new ATOM 0 HD13 LEU A 15 135.874 -3.441 7.468 1.00 1.21 H new ATOM 0 HD21 LEU A 15 135.219 -0.948 5.796 1.00 1.36 H new ATOM 0 HD22 LEU A 15 135.445 -2.570 5.101 1.00 1.36 H new ATOM 0 HD23 LEU A 15 133.946 -1.666 4.782 1.00 1.36 H new ATOM 235 N GLY A 16 130.396 -4.540 6.816 1.00 0.49 N ATOM 236 CA GLY A 16 128.976 -4.235 6.958 1.00 0.45 C ATOM 237 C GLY A 16 128.370 -3.383 5.848 1.00 0.39 C ATOM 238 O GLY A 16 127.369 -2.711 6.083 1.00 0.40 O ATOM 0 H GLY A 16 130.645 -5.062 5.976 1.00 0.49 H new ATOM 0 HA2 GLY A 16 128.425 -5.174 7.013 1.00 0.45 H new ATOM 0 HA3 GLY A 16 128.826 -3.722 7.908 1.00 0.45 H new ATOM 242 N PHE A 17 128.935 -3.422 4.640 1.00 0.35 N ATOM 243 CA PHE A 17 128.388 -2.652 3.518 1.00 0.31 C ATOM 244 C PHE A 17 128.952 -3.148 2.187 1.00 0.29 C ATOM 245 O PHE A 17 130.149 -3.419 2.069 1.00 0.35 O ATOM 246 CB PHE A 17 128.649 -1.153 3.702 1.00 0.28 C ATOM 247 CG PHE A 17 130.077 -0.729 3.536 1.00 0.26 C ATOM 248 CD1 PHE A 17 130.611 -0.528 2.277 1.00 1.22 C ATOM 249 CD2 PHE A 17 130.879 -0.508 4.643 1.00 1.21 C ATOM 250 CE1 PHE A 17 131.913 -0.117 2.124 1.00 1.23 C ATOM 251 CE2 PHE A 17 132.183 -0.099 4.496 1.00 1.21 C ATOM 252 CZ PHE A 17 132.702 0.098 3.232 1.00 0.28 C ATOM 0 H PHE A 17 129.763 -3.972 4.413 1.00 0.35 H new ATOM 0 HA PHE A 17 127.309 -2.804 3.501 1.00 0.31 H new ATOM 0 HB2 PHE A 17 128.038 -0.603 2.986 1.00 0.28 H new ATOM 0 HB3 PHE A 17 128.313 -0.861 4.697 1.00 0.28 H new ATOM 0 HD1 PHE A 17 129.998 -0.696 1.404 1.00 1.22 H new ATOM 0 HD2 PHE A 17 130.475 -0.659 5.633 1.00 1.21 H new ATOM 0 HE1 PHE A 17 132.318 0.037 1.135 1.00 1.23 H new ATOM 0 HE2 PHE A 17 132.800 0.068 5.367 1.00 1.21 H new ATOM 0 HZ PHE A 17 133.726 0.420 3.112 1.00 0.28 H new ATOM 262 N SER A 18 128.074 -3.281 1.194 1.00 0.29 N ATOM 263 CA SER A 18 128.465 -3.762 -0.128 1.00 0.31 C ATOM 264 C SER A 18 128.679 -2.614 -1.104 1.00 0.28 C ATOM 265 O SER A 18 127.870 -1.690 -1.179 1.00 0.27 O ATOM 266 CB SER A 18 127.408 -4.718 -0.677 1.00 0.38 C ATOM 267 OG SER A 18 127.970 -5.983 -0.983 1.00 0.42 O ATOM 0 H SER A 18 127.082 -3.061 1.282 1.00 0.29 H new ATOM 0 HA SER A 18 129.412 -4.291 -0.018 1.00 0.31 H new ATOM 0 HB2 SER A 18 126.609 -4.839 0.054 1.00 0.38 H new ATOM 0 HB3 SER A 18 126.958 -4.291 -1.573 1.00 0.38 H new ATOM 0 HG SER A 18 127.271 -6.576 -1.331 1.00 0.42 H new ATOM 273 N ILE A 19 129.777 -2.691 -1.856 1.00 0.28 N ATOM 274 CA ILE A 19 130.116 -1.667 -2.838 1.00 0.27 C ATOM 275 C ILE A 19 130.137 -2.218 -4.254 1.00 0.36 C ATOM 276 O ILE A 19 130.500 -3.371 -4.495 1.00 0.48 O ATOM 277 CB ILE A 19 131.487 -1.013 -2.554 1.00 0.26 C ATOM 278 CG1 ILE A 19 132.604 -2.066 -2.556 1.00 0.32 C ATOM 279 CG2 ILE A 19 131.464 -0.246 -1.244 1.00 0.21 C ATOM 280 CD1 ILE A 19 132.671 -2.893 -1.292 1.00 0.30 C ATOM 0 H ILE A 19 130.448 -3.457 -1.801 1.00 0.28 H new ATOM 0 HA ILE A 19 129.332 -0.915 -2.750 1.00 0.27 H new ATOM 0 HB ILE A 19 131.693 -0.301 -3.353 1.00 0.26 H new ATOM 0 HG12 ILE A 19 132.460 -2.732 -3.407 1.00 0.32 H new ATOM 0 HG13 ILE A 19 133.561 -1.565 -2.702 1.00 0.32 H new ATOM 0 HG21 ILE A 19 132.441 0.204 -1.069 1.00 0.21 H new ATOM 0 HG22 ILE A 19 130.708 0.537 -1.294 1.00 0.21 H new ATOM 0 HG23 ILE A 19 131.227 -0.928 -0.427 1.00 0.21 H new ATOM 0 HD11 ILE A 19 133.485 -3.613 -1.371 1.00 0.30 H new ATOM 0 HD12 ILE A 19 132.847 -2.239 -0.438 1.00 0.30 H new ATOM 0 HD13 ILE A 19 131.729 -3.424 -1.154 1.00 0.30 H new ATOM 292 N ALA A 20 129.743 -1.360 -5.178 1.00 0.37 N ATOM 293 CA ALA A 20 129.699 -1.695 -6.601 1.00 0.45 C ATOM 294 C ALA A 20 130.230 -0.545 -7.460 1.00 0.56 C ATOM 295 O ALA A 20 129.865 0.608 -7.255 1.00 0.61 O ATOM 296 CB ALA A 20 128.275 -2.028 -7.004 1.00 0.53 C ATOM 0 H ALA A 20 129.443 -0.408 -4.968 1.00 0.37 H new ATOM 0 HA ALA A 20 130.339 -2.562 -6.767 1.00 0.45 H new ATOM 0 HB1 ALA A 20 128.246 -2.277 -8.065 1.00 0.53 H new ATOM 0 HB2 ALA A 20 127.922 -2.879 -6.422 1.00 0.53 H new ATOM 0 HB3 ALA A 20 127.633 -1.168 -6.816 1.00 0.53 H new ATOM 302 N GLY A 21 131.076 -0.857 -8.438 1.00 0.76 N ATOM 303 CA GLY A 21 131.608 0.191 -9.301 1.00 1.02 C ATOM 304 C GLY A 21 133.039 -0.041 -9.757 1.00 0.85 C ATOM 305 O GLY A 21 133.549 0.716 -10.583 1.00 1.80 O ATOM 0 H GLY A 21 131.401 -1.801 -8.649 1.00 0.76 H new ATOM 0 HA2 GLY A 21 130.969 0.281 -10.180 1.00 1.02 H new ATOM 0 HA3 GLY A 21 131.558 1.142 -8.771 1.00 1.02 H new ATOM 309 N GLY A 22 133.693 -1.072 -9.221 1.00 0.83 N ATOM 310 CA GLY A 22 135.067 -1.358 -9.591 1.00 1.44 C ATOM 311 C GLY A 22 135.272 -1.581 -11.082 1.00 1.16 C ATOM 312 O GLY A 22 134.328 -1.535 -11.874 1.00 1.18 O ATOM 0 H GLY A 22 133.293 -1.714 -8.536 1.00 0.83 H new ATOM 0 HA2 GLY A 22 135.699 -0.531 -9.267 1.00 1.44 H new ATOM 0 HA3 GLY A 22 135.401 -2.245 -9.052 1.00 1.44 H new ATOM 316 N THR A 23 136.529 -1.808 -11.451 1.00 1.00 N ATOM 317 CA THR A 23 136.928 -2.024 -12.844 1.00 0.86 C ATOM 318 C THR A 23 136.260 -3.255 -13.477 1.00 0.85 C ATOM 319 O THR A 23 136.053 -3.290 -14.692 1.00 0.97 O ATOM 320 CB THR A 23 138.457 -2.158 -12.928 1.00 0.87 C ATOM 321 OG1 THR A 23 138.885 -3.409 -12.425 1.00 0.90 O ATOM 322 CG2 THR A 23 139.200 -1.080 -12.164 1.00 0.87 C ATOM 0 H THR A 23 137.306 -1.848 -10.791 1.00 1.00 H new ATOM 0 HA THR A 23 136.591 -1.156 -13.411 1.00 0.86 H new ATOM 0 HB THR A 23 138.691 -2.058 -13.988 1.00 0.87 H new ATOM 0 HG1 THR A 23 138.919 -4.061 -13.156 1.00 0.90 H new ATOM 0 HG21 THR A 23 140.274 -1.236 -12.266 1.00 0.87 H new ATOM 0 HG22 THR A 23 138.935 -0.102 -12.565 1.00 0.87 H new ATOM 0 HG23 THR A 23 138.926 -1.126 -11.110 1.00 0.87 H new ATOM 330 N ASP A 24 135.940 -4.262 -12.663 1.00 0.80 N ATOM 331 CA ASP A 24 135.314 -5.488 -13.164 1.00 0.83 C ATOM 332 C ASP A 24 133.790 -5.372 -13.212 1.00 0.81 C ATOM 333 O ASP A 24 133.148 -5.947 -14.092 1.00 0.88 O ATOM 334 CB ASP A 24 135.721 -6.681 -12.289 1.00 0.91 C ATOM 335 CG ASP A 24 134.979 -7.954 -12.652 1.00 1.28 C ATOM 336 OD1 ASP A 24 135.372 -8.610 -13.639 1.00 1.89 O ATOM 337 OD2 ASP A 24 134.005 -8.294 -11.947 1.00 1.88 O ATOM 0 H ASP A 24 136.103 -4.254 -11.656 1.00 0.80 H new ATOM 0 HA ASP A 24 135.666 -5.645 -14.184 1.00 0.83 H new ATOM 0 HB2 ASP A 24 136.793 -6.850 -12.388 1.00 0.91 H new ATOM 0 HB3 ASP A 24 135.531 -6.441 -11.243 1.00 0.91 H new ATOM 342 N ASN A 25 133.217 -4.632 -12.265 1.00 0.74 N ATOM 343 CA ASN A 25 131.777 -4.447 -12.202 1.00 0.74 C ATOM 344 C ASN A 25 131.429 -2.963 -12.210 1.00 0.70 C ATOM 345 O ASN A 25 131.323 -2.338 -11.153 1.00 0.65 O ATOM 346 CB ASN A 25 131.204 -5.122 -10.952 1.00 0.73 C ATOM 347 CG ASN A 25 129.703 -5.330 -11.037 1.00 1.13 C ATOM 348 OD1 ASN A 25 128.930 -4.371 -11.029 1.00 1.89 O ATOM 349 ND2 ASN A 25 129.281 -6.588 -11.119 1.00 1.66 N ATOM 0 H ASN A 25 133.735 -4.151 -11.530 1.00 0.74 H new ATOM 0 HA ASN A 25 131.332 -4.912 -13.082 1.00 0.74 H new ATOM 0 HB2 ASN A 25 131.693 -6.085 -10.807 1.00 0.73 H new ATOM 0 HB3 ASN A 25 131.434 -4.513 -10.077 1.00 0.73 H new ATOM 0 HD21 ASN A 25 128.283 -6.788 -11.178 1.00 1.66 H new ATOM 0 HD22 ASN A 25 129.956 -7.353 -11.123 1.00 1.66 H new ATOM 356 N PRO A 26 131.261 -2.376 -13.409 1.00 0.76 N ATOM 357 CA PRO A 26 130.936 -0.955 -13.555 1.00 0.75 C ATOM 358 C PRO A 26 129.520 -0.619 -13.084 1.00 0.72 C ATOM 359 O PRO A 26 128.629 -0.343 -13.891 1.00 0.80 O ATOM 360 CB PRO A 26 131.088 -0.701 -15.055 1.00 0.84 C ATOM 361 CG PRO A 26 130.873 -2.031 -15.691 1.00 0.92 C ATOM 362 CD PRO A 26 131.394 -3.050 -14.713 1.00 0.85 C ATOM 0 HA PRO A 26 131.583 -0.329 -12.941 1.00 0.75 H new ATOM 0 HB2 PRO A 26 130.359 0.029 -15.408 1.00 0.84 H new ATOM 0 HB3 PRO A 26 132.076 -0.305 -15.291 1.00 0.84 H new ATOM 0 HG2 PRO A 26 129.816 -2.197 -15.901 1.00 0.92 H new ATOM 0 HG3 PRO A 26 131.401 -2.098 -16.642 1.00 0.92 H new ATOM 0 HD2 PRO A 26 130.815 -3.973 -14.749 1.00 0.85 H new ATOM 0 HD3 PRO A 26 132.430 -3.315 -14.924 1.00 0.85 H new ATOM 370 N HIS A 27 129.337 -0.626 -11.764 1.00 0.65 N ATOM 371 CA HIS A 27 128.054 -0.300 -11.140 1.00 0.62 C ATOM 372 C HIS A 27 127.536 1.042 -11.663 1.00 0.63 C ATOM 373 O HIS A 27 126.328 1.252 -11.781 1.00 0.66 O ATOM 374 CB HIS A 27 128.243 -0.261 -9.621 1.00 0.57 C ATOM 375 CG HIS A 27 127.157 0.425 -8.850 1.00 0.90 C ATOM 376 ND1 HIS A 27 127.209 1.493 -8.019 1.00 1.45 N flip ATOM 377 CD2 HIS A 27 125.843 0.007 -8.853 1.00 0.92 C flip ATOM 378 CE1 HIS A 27 125.940 1.696 -7.538 1.00 1.81 C flip ATOM 379 NE2 HIS A 27 125.134 0.788 -8.057 1.00 1.49 N flip ATOM 0 H HIS A 27 130.073 -0.858 -11.097 1.00 0.65 H new ATOM 0 HA HIS A 27 127.314 -1.060 -11.390 1.00 0.62 H new ATOM 0 HB2 HIS A 27 128.331 -1.285 -9.258 1.00 0.57 H new ATOM 0 HB3 HIS A 27 129.188 0.236 -9.403 1.00 0.57 H new ATOM 0 HD1 HIS A 27 128.037 2.044 -7.793 1.00 1.45 H new ATOM 0 HD2 HIS A 27 125.454 -0.828 -9.417 1.00 0.92 H new ATOM 0 HE1 HIS A 27 125.648 2.473 -6.847 1.00 1.81 H new ATOM 388 N ILE A 28 128.473 1.932 -11.996 1.00 0.64 N ATOM 389 CA ILE A 28 128.149 3.246 -12.533 1.00 0.67 C ATOM 390 C ILE A 28 127.804 3.132 -14.029 1.00 0.74 C ATOM 391 O ILE A 28 127.419 2.057 -14.494 1.00 0.76 O ATOM 392 CB ILE A 28 129.327 4.223 -12.280 1.00 0.67 C ATOM 393 CG1 ILE A 28 128.830 5.671 -12.184 1.00 0.69 C ATOM 394 CG2 ILE A 28 130.410 4.073 -13.334 1.00 0.73 C ATOM 395 CD1 ILE A 28 128.636 6.142 -10.757 1.00 0.75 C ATOM 0 H ILE A 28 129.474 1.759 -11.900 1.00 0.64 H new ATOM 0 HA ILE A 28 127.272 3.647 -12.024 1.00 0.67 H new ATOM 0 HB ILE A 28 129.774 3.963 -11.321 1.00 0.67 H new ATOM 0 HG12 ILE A 28 129.544 6.327 -12.682 1.00 0.69 H new ATOM 0 HG13 ILE A 28 127.886 5.761 -12.721 1.00 0.69 H new ATOM 0 HG21 ILE A 28 131.220 4.772 -13.126 1.00 0.73 H new ATOM 0 HG22 ILE A 28 130.797 3.054 -13.316 1.00 0.73 H new ATOM 0 HG23 ILE A 28 129.992 4.285 -14.318 1.00 0.73 H new ATOM 0 HD11 ILE A 28 128.284 7.173 -10.759 1.00 0.75 H new ATOM 0 HD12 ILE A 28 127.901 5.508 -10.261 1.00 0.75 H new ATOM 0 HD13 ILE A 28 129.584 6.084 -10.222 1.00 0.75 H new ATOM 407 N GLY A 29 127.933 4.225 -14.779 1.00 0.79 N ATOM 408 CA GLY A 29 127.623 4.193 -16.199 1.00 0.86 C ATOM 409 C GLY A 29 128.526 3.246 -16.965 1.00 0.93 C ATOM 410 O GLY A 29 128.046 2.394 -17.715 1.00 1.39 O ATOM 0 H GLY A 29 128.246 5.131 -14.429 1.00 0.79 H new ATOM 0 HA2 GLY A 29 126.585 3.891 -16.335 1.00 0.86 H new ATOM 0 HA3 GLY A 29 127.719 5.197 -16.612 1.00 0.86 H new ATOM 414 N ASP A 30 129.837 3.395 -16.766 1.00 1.04 N ATOM 415 CA ASP A 30 130.831 2.550 -17.431 1.00 1.04 C ATOM 416 C ASP A 30 132.248 2.993 -17.061 1.00 1.01 C ATOM 417 O ASP A 30 133.033 3.396 -17.923 1.00 1.09 O ATOM 418 CB ASP A 30 130.644 2.592 -18.955 1.00 1.12 C ATOM 419 CG ASP A 30 130.810 1.227 -19.593 1.00 1.71 C ATOM 420 OD1 ASP A 30 129.804 0.493 -19.696 1.00 2.35 O ATOM 421 OD2 ASP A 30 131.946 0.891 -19.990 1.00 2.27 O ATOM 0 H ASP A 30 130.237 4.098 -16.145 1.00 1.04 H new ATOM 0 HA ASP A 30 130.687 1.524 -17.091 1.00 1.04 H new ATOM 0 HB2 ASP A 30 129.652 2.981 -19.187 1.00 1.12 H new ATOM 0 HB3 ASP A 30 131.366 3.283 -19.389 1.00 1.12 H new ATOM 426 N ASP A 31 132.564 2.923 -15.769 1.00 0.96 N ATOM 427 CA ASP A 31 133.879 3.325 -15.277 1.00 0.94 C ATOM 428 C ASP A 31 134.294 2.499 -14.059 1.00 0.88 C ATOM 429 O ASP A 31 133.462 1.835 -13.435 1.00 0.86 O ATOM 430 CB ASP A 31 133.870 4.814 -14.915 1.00 0.96 C ATOM 431 CG ASP A 31 134.182 5.702 -16.104 1.00 1.15 C ATOM 432 OD1 ASP A 31 135.379 5.877 -16.416 1.00 1.70 O ATOM 433 OD2 ASP A 31 133.230 6.223 -16.722 1.00 1.69 O ATOM 0 H ASP A 31 131.927 2.592 -15.045 1.00 0.96 H new ATOM 0 HA ASP A 31 134.604 3.147 -16.071 1.00 0.94 H new ATOM 0 HB2 ASP A 31 132.893 5.081 -14.513 1.00 0.96 H new ATOM 0 HB3 ASP A 31 134.600 4.998 -14.127 1.00 0.96 H new ATOM 438 N PRO A 32 135.594 2.537 -13.700 1.00 0.88 N ATOM 439 CA PRO A 32 136.121 1.798 -12.548 1.00 0.84 C ATOM 440 C PRO A 32 135.831 2.485 -11.207 1.00 0.80 C ATOM 441 O PRO A 32 136.329 2.050 -10.167 1.00 1.03 O ATOM 442 CB PRO A 32 137.624 1.772 -12.823 1.00 0.90 C ATOM 443 CG PRO A 32 137.889 3.031 -13.573 1.00 1.01 C ATOM 444 CD PRO A 32 136.651 3.307 -14.388 1.00 0.94 C ATOM 0 HA PRO A 32 135.663 0.814 -12.452 1.00 0.84 H new ATOM 0 HB2 PRO A 32 138.196 1.735 -11.896 1.00 0.90 H new ATOM 0 HB3 PRO A 32 137.905 0.896 -13.407 1.00 0.90 H new ATOM 0 HG2 PRO A 32 138.096 3.854 -12.889 1.00 1.01 H new ATOM 0 HG3 PRO A 32 138.762 2.924 -14.217 1.00 1.01 H new ATOM 0 HD2 PRO A 32 136.418 4.372 -14.413 1.00 0.94 H new ATOM 0 HD3 PRO A 32 136.773 2.983 -15.422 1.00 0.94 H new ATOM 452 N SER A 33 135.020 3.553 -11.231 1.00 0.68 N ATOM 453 CA SER A 33 134.668 4.282 -10.014 1.00 0.64 C ATOM 454 C SER A 33 133.930 3.368 -9.041 1.00 0.59 C ATOM 455 O SER A 33 132.788 2.978 -9.286 1.00 0.76 O ATOM 456 CB SER A 33 133.805 5.503 -10.348 1.00 0.71 C ATOM 457 OG SER A 33 134.546 6.468 -11.076 1.00 1.10 O ATOM 0 H SER A 33 134.598 3.927 -12.081 1.00 0.68 H new ATOM 0 HA SER A 33 135.589 4.626 -9.543 1.00 0.64 H new ATOM 0 HB2 SER A 33 132.938 5.191 -10.930 1.00 0.71 H new ATOM 0 HB3 SER A 33 133.428 5.948 -9.427 1.00 0.71 H new ATOM 0 HG SER A 33 133.972 7.236 -11.278 1.00 1.10 H new ATOM 463 N ILE A 34 134.600 3.028 -7.945 1.00 0.46 N ATOM 464 CA ILE A 34 134.037 2.151 -6.922 1.00 0.40 C ATOM 465 C ILE A 34 133.128 2.935 -5.985 1.00 0.35 C ATOM 466 O ILE A 34 133.593 3.842 -5.311 1.00 0.36 O ATOM 467 CB ILE A 34 135.167 1.496 -6.095 1.00 0.39 C ATOM 468 CG1 ILE A 34 136.324 1.108 -7.025 1.00 0.50 C ATOM 469 CG2 ILE A 34 134.653 0.289 -5.307 1.00 0.38 C ATOM 470 CD1 ILE A 34 137.070 -0.129 -6.604 1.00 0.53 C ATOM 0 H ILE A 34 135.546 3.351 -7.740 1.00 0.46 H new ATOM 0 HA ILE A 34 133.456 1.378 -7.425 1.00 0.40 H new ATOM 0 HB ILE A 34 135.532 2.217 -5.364 1.00 0.39 H new ATOM 0 HG12 ILE A 34 135.931 0.956 -8.030 1.00 0.50 H new ATOM 0 HG13 ILE A 34 137.026 1.940 -7.079 1.00 0.50 H new ATOM 0 HG21 ILE A 34 135.472 -0.149 -4.736 1.00 0.38 H new ATOM 0 HG22 ILE A 34 133.865 0.609 -4.625 1.00 0.38 H new ATOM 0 HG23 ILE A 34 134.255 -0.454 -5.998 1.00 0.38 H new ATOM 0 HD11 ILE A 34 137.870 -0.331 -7.316 1.00 0.53 H new ATOM 0 HD12 ILE A 34 137.496 0.023 -5.612 1.00 0.53 H new ATOM 0 HD13 ILE A 34 136.385 -0.976 -6.578 1.00 0.53 H new ATOM 482 N PHE A 35 131.844 2.573 -5.927 1.00 0.33 N ATOM 483 CA PHE A 35 130.904 3.248 -5.032 1.00 0.30 C ATOM 484 C PHE A 35 129.960 2.262 -4.401 1.00 0.27 C ATOM 485 O PHE A 35 129.653 1.230 -4.963 1.00 0.33 O ATOM 486 CB PHE A 35 130.151 4.415 -5.689 1.00 0.38 C ATOM 487 CG PHE A 35 129.460 4.136 -6.989 1.00 0.39 C ATOM 488 CD1 PHE A 35 130.101 3.476 -8.022 1.00 1.21 C ATOM 489 CD2 PHE A 35 128.162 4.578 -7.183 1.00 1.29 C ATOM 490 CE1 PHE A 35 129.459 3.254 -9.218 1.00 1.25 C ATOM 491 CE2 PHE A 35 127.516 4.366 -8.378 1.00 1.35 C ATOM 492 CZ PHE A 35 128.163 3.701 -9.399 1.00 0.60 C ATOM 0 H PHE A 35 131.435 1.823 -6.484 1.00 0.33 H new ATOM 0 HA PHE A 35 131.507 3.702 -4.246 1.00 0.30 H new ATOM 0 HB2 PHE A 35 129.406 4.778 -4.981 1.00 0.38 H new ATOM 0 HB3 PHE A 35 130.860 5.227 -5.850 1.00 0.38 H new ATOM 0 HD1 PHE A 35 131.116 3.132 -7.888 1.00 1.21 H new ATOM 0 HD2 PHE A 35 127.651 5.096 -6.385 1.00 1.29 H new ATOM 0 HE1 PHE A 35 129.967 2.731 -10.015 1.00 1.25 H new ATOM 0 HE2 PHE A 35 126.505 4.719 -8.517 1.00 1.35 H new ATOM 0 HZ PHE A 35 127.658 3.530 -10.338 1.00 0.60 H new ATOM 502 N ILE A 36 129.546 2.571 -3.194 1.00 0.22 N ATOM 503 CA ILE A 36 128.689 1.679 -2.446 1.00 0.20 C ATOM 504 C ILE A 36 127.292 1.561 -3.036 1.00 0.24 C ATOM 505 O ILE A 36 126.822 2.438 -3.760 1.00 0.26 O ATOM 506 CB ILE A 36 128.583 2.067 -0.966 1.00 0.17 C ATOM 507 CG1 ILE A 36 129.833 2.824 -0.486 1.00 0.15 C ATOM 508 CG2 ILE A 36 128.359 0.807 -0.152 1.00 0.18 C ATOM 509 CD1 ILE A 36 130.530 2.202 0.701 1.00 0.15 C ATOM 0 H ILE A 36 129.789 3.434 -2.708 1.00 0.22 H new ATOM 0 HA ILE A 36 129.174 0.706 -2.519 1.00 0.20 H new ATOM 0 HB ILE A 36 127.741 2.746 -0.833 1.00 0.17 H new ATOM 0 HG12 ILE A 36 130.541 2.890 -1.312 1.00 0.15 H new ATOM 0 HG13 ILE A 36 129.547 3.844 -0.229 1.00 0.15 H new ATOM 0 HG21 ILE A 36 128.281 1.065 0.904 1.00 0.18 H new ATOM 0 HG22 ILE A 36 127.437 0.323 -0.476 1.00 0.18 H new ATOM 0 HG23 ILE A 36 129.197 0.126 -0.298 1.00 0.18 H new ATOM 0 HD11 ILE A 36 131.399 2.803 0.969 1.00 0.15 H new ATOM 0 HD12 ILE A 36 129.843 2.161 1.546 1.00 0.15 H new ATOM 0 HD13 ILE A 36 130.852 1.192 0.446 1.00 0.15 H new ATOM 521 N THR A 37 126.648 0.445 -2.721 1.00 0.26 N ATOM 522 CA THR A 37 125.306 0.151 -3.200 1.00 0.30 C ATOM 523 C THR A 37 124.328 -0.060 -2.043 1.00 0.31 C ATOM 524 O THR A 37 123.147 0.270 -2.166 1.00 0.35 O ATOM 525 CB THR A 37 125.318 -1.076 -4.122 1.00 0.36 C ATOM 526 OG1 THR A 37 124.572 -2.151 -3.572 1.00 0.41 O ATOM 527 CG2 THR A 37 126.704 -1.602 -4.431 1.00 0.36 C ATOM 0 H THR A 37 127.043 -0.282 -2.125 1.00 0.26 H new ATOM 0 HA THR A 37 124.964 1.015 -3.770 1.00 0.30 H new ATOM 0 HB THR A 37 124.868 -0.716 -5.047 1.00 0.36 H new ATOM 0 HG1 THR A 37 124.599 -2.915 -4.185 1.00 0.41 H new ATOM 0 HG21 THR A 37 126.626 -2.469 -5.088 1.00 0.36 H new ATOM 0 HG22 THR A 37 127.287 -0.824 -4.924 1.00 0.36 H new ATOM 0 HG23 THR A 37 127.198 -1.892 -3.504 1.00 0.36 H new ATOM 535 N LYS A 38 124.811 -0.616 -0.926 1.00 0.29 N ATOM 536 CA LYS A 38 123.946 -0.857 0.226 1.00 0.32 C ATOM 537 C LYS A 38 124.742 -1.315 1.443 1.00 0.32 C ATOM 538 O LYS A 38 125.607 -2.182 1.341 1.00 0.36 O ATOM 539 CB LYS A 38 122.867 -1.898 -0.126 1.00 0.39 C ATOM 540 CG LYS A 38 122.667 -2.991 0.923 1.00 0.69 C ATOM 541 CD LYS A 38 123.610 -4.164 0.700 1.00 0.61 C ATOM 542 CE LYS A 38 122.863 -5.489 0.695 1.00 0.74 C ATOM 543 NZ LYS A 38 122.370 -5.847 -0.665 1.00 1.45 N ATOM 0 H LYS A 38 125.782 -0.903 -0.799 1.00 0.29 H new ATOM 0 HA LYS A 38 123.465 0.087 0.481 1.00 0.32 H new ATOM 0 HB2 LYS A 38 121.919 -1.382 -0.278 1.00 0.39 H new ATOM 0 HB3 LYS A 38 123.130 -2.367 -1.074 1.00 0.39 H new ATOM 0 HG2 LYS A 38 122.832 -2.576 1.917 1.00 0.69 H new ATOM 0 HG3 LYS A 38 121.636 -3.342 0.891 1.00 0.69 H new ATOM 0 HD2 LYS A 38 124.133 -4.037 -0.248 1.00 0.61 H new ATOM 0 HD3 LYS A 38 124.368 -4.176 1.483 1.00 0.61 H new ATOM 0 HE2 LYS A 38 123.521 -6.277 1.061 1.00 0.74 H new ATOM 0 HE3 LYS A 38 122.020 -5.432 1.383 1.00 0.74 H new ATOM 0 HZ1 LYS A 38 121.867 -6.756 -0.624 1.00 1.45 H new ATOM 0 HZ2 LYS A 38 121.722 -5.108 -1.005 1.00 1.45 H new ATOM 0 HZ3 LYS A 38 123.177 -5.927 -1.317 1.00 1.45 H new ATOM 557 N ILE A 39 124.408 -0.750 2.597 1.00 0.32 N ATOM 558 CA ILE A 39 125.042 -1.116 3.847 1.00 0.34 C ATOM 559 C ILE A 39 124.126 -2.089 4.578 1.00 0.40 C ATOM 560 O ILE A 39 122.920 -1.853 4.682 1.00 0.45 O ATOM 561 CB ILE A 39 125.333 0.126 4.713 1.00 0.33 C ATOM 562 CG1 ILE A 39 126.079 1.169 3.870 1.00 0.28 C ATOM 563 CG2 ILE A 39 126.136 -0.254 5.944 1.00 0.36 C ATOM 564 CD1 ILE A 39 127.298 1.766 4.542 1.00 0.28 C ATOM 0 H ILE A 39 123.692 -0.029 2.687 1.00 0.32 H new ATOM 0 HA ILE A 39 126.003 -1.590 3.645 1.00 0.34 H new ATOM 0 HB ILE A 39 124.391 0.555 5.055 1.00 0.33 H new ATOM 0 HG12 ILE A 39 126.387 0.707 2.932 1.00 0.28 H new ATOM 0 HG13 ILE A 39 125.389 1.974 3.617 1.00 0.28 H new ATOM 0 HG21 ILE A 39 126.330 0.637 6.541 1.00 0.36 H new ATOM 0 HG22 ILE A 39 125.572 -0.973 6.538 1.00 0.36 H new ATOM 0 HG23 ILE A 39 127.083 -0.699 5.638 1.00 0.36 H new ATOM 0 HD11 ILE A 39 127.762 2.492 3.875 1.00 0.28 H new ATOM 0 HD12 ILE A 39 126.998 2.261 5.465 1.00 0.28 H new ATOM 0 HD13 ILE A 39 128.012 0.975 4.770 1.00 0.28 H new ATOM 576 N ILE A 40 124.684 -3.202 5.037 1.00 0.42 N ATOM 577 CA ILE A 40 123.890 -4.225 5.700 1.00 0.48 C ATOM 578 C ILE A 40 123.660 -3.916 7.178 1.00 0.52 C ATOM 579 O ILE A 40 124.609 -3.816 7.959 1.00 0.55 O ATOM 580 CB ILE A 40 124.512 -5.629 5.547 1.00 0.51 C ATOM 581 CG1 ILE A 40 126.040 -5.584 5.648 1.00 0.48 C ATOM 582 CG2 ILE A 40 124.087 -6.236 4.218 1.00 0.52 C ATOM 583 CD1 ILE A 40 126.728 -5.442 4.308 1.00 0.45 C ATOM 0 H ILE A 40 125.678 -3.418 4.962 1.00 0.42 H new ATOM 0 HA ILE A 40 122.922 -4.220 5.199 1.00 0.48 H new ATOM 0 HB ILE A 40 124.149 -6.252 6.364 1.00 0.51 H new ATOM 0 HG12 ILE A 40 126.330 -4.750 6.287 1.00 0.48 H new ATOM 0 HG13 ILE A 40 126.391 -6.494 6.134 1.00 0.48 H new ATOM 0 HG21 ILE A 40 124.528 -7.227 4.113 1.00 0.52 H new ATOM 0 HG22 ILE A 40 123.000 -6.317 4.186 1.00 0.52 H new ATOM 0 HG23 ILE A 40 124.428 -5.599 3.402 1.00 0.52 H new ATOM 0 HD11 ILE A 40 127.808 -5.417 4.454 1.00 0.45 H new ATOM 0 HD12 ILE A 40 126.467 -6.289 3.674 1.00 0.45 H new ATOM 0 HD13 ILE A 40 126.405 -4.518 3.829 1.00 0.45 H new ATOM 595 N PRO A 41 122.376 -3.758 7.575 1.00 0.57 N ATOM 596 CA PRO A 41 121.994 -3.457 8.962 1.00 0.63 C ATOM 597 C PRO A 41 122.484 -4.517 9.940 1.00 0.68 C ATOM 598 O PRO A 41 122.361 -5.717 9.684 1.00 0.76 O ATOM 599 CB PRO A 41 120.461 -3.435 8.924 1.00 0.71 C ATOM 600 CG PRO A 41 120.116 -3.196 7.496 1.00 0.90 C ATOM 601 CD PRO A 41 121.196 -3.862 6.696 1.00 0.62 C ATOM 0 HA PRO A 41 122.435 -2.522 9.306 1.00 0.63 H new ATOM 0 HB2 PRO A 41 120.044 -4.377 9.279 1.00 0.71 H new ATOM 0 HB3 PRO A 41 120.061 -2.648 9.564 1.00 0.71 H new ATOM 0 HG2 PRO A 41 119.138 -3.613 7.255 1.00 0.90 H new ATOM 0 HG3 PRO A 41 120.070 -2.129 7.278 1.00 0.90 H new ATOM 0 HD2 PRO A 41 120.950 -4.900 6.473 1.00 0.62 H new ATOM 0 HD3 PRO A 41 121.359 -3.360 5.742 1.00 0.62 H new ATOM 609 N GLY A 42 123.049 -4.065 11.057 1.00 0.75 N ATOM 610 CA GLY A 42 123.562 -4.984 12.058 1.00 0.84 C ATOM 611 C GLY A 42 125.056 -5.230 11.921 1.00 0.75 C ATOM 612 O GLY A 42 125.653 -5.898 12.767 1.00 0.78 O ATOM 0 H GLY A 42 123.161 -3.077 11.286 1.00 0.75 H new ATOM 0 HA2 GLY A 42 123.353 -4.586 13.051 1.00 0.84 H new ATOM 0 HA3 GLY A 42 123.033 -5.934 11.978 1.00 0.84 H new ATOM 616 N GLY A 43 125.667 -4.684 10.862 1.00 0.77 N ATOM 617 CA GLY A 43 127.093 -4.856 10.656 1.00 0.95 C ATOM 618 C GLY A 43 127.883 -3.684 11.198 1.00 0.82 C ATOM 619 O GLY A 43 127.300 -2.718 11.689 1.00 0.87 O ATOM 0 H GLY A 43 125.196 -4.128 10.148 1.00 0.77 H new ATOM 0 HA2 GLY A 43 127.423 -5.774 11.143 1.00 0.95 H new ATOM 0 HA3 GLY A 43 127.296 -4.970 9.591 1.00 0.95 H new ATOM 623 N ALA A 44 129.208 -3.761 11.113 1.00 0.73 N ATOM 624 CA ALA A 44 130.062 -2.683 11.606 1.00 0.66 C ATOM 625 C ALA A 44 129.706 -1.349 10.951 1.00 0.57 C ATOM 626 O ALA A 44 129.740 -0.307 11.603 1.00 0.59 O ATOM 627 CB ALA A 44 131.530 -3.012 11.377 1.00 0.65 C ATOM 0 H ALA A 44 129.711 -4.552 10.711 1.00 0.73 H new ATOM 0 HA ALA A 44 129.890 -2.588 12.678 1.00 0.66 H new ATOM 0 HB1 ALA A 44 132.148 -2.196 11.751 1.00 0.65 H new ATOM 0 HB2 ALA A 44 131.784 -3.931 11.905 1.00 0.65 H new ATOM 0 HB3 ALA A 44 131.711 -3.145 10.310 1.00 0.65 H new ATOM 633 N ALA A 45 129.360 -1.391 9.662 1.00 0.49 N ATOM 634 CA ALA A 45 128.997 -0.185 8.922 1.00 0.41 C ATOM 635 C ALA A 45 127.660 0.383 9.389 1.00 0.44 C ATOM 636 O ALA A 45 127.559 1.570 9.703 1.00 0.48 O ATOM 637 CB ALA A 45 128.951 -0.478 7.432 1.00 0.37 C ATOM 0 H ALA A 45 129.324 -2.249 9.111 1.00 0.49 H new ATOM 0 HA ALA A 45 129.762 0.566 9.117 1.00 0.41 H new ATOM 0 HB1 ALA A 45 128.679 0.429 6.891 1.00 0.37 H new ATOM 0 HB2 ALA A 45 129.931 -0.820 7.098 1.00 0.37 H new ATOM 0 HB3 ALA A 45 128.210 -1.253 7.236 1.00 0.37 H new ATOM 643 N ALA A 46 126.637 -0.471 9.427 1.00 0.47 N ATOM 644 CA ALA A 46 125.303 -0.054 9.849 1.00 0.51 C ATOM 645 C ALA A 46 125.265 0.318 11.335 1.00 0.61 C ATOM 646 O ALA A 46 124.508 1.205 11.736 1.00 0.67 O ATOM 647 CB ALA A 46 124.291 -1.146 9.543 1.00 0.54 C ATOM 0 H ALA A 46 126.708 -1.456 9.170 1.00 0.47 H new ATOM 0 HA ALA A 46 125.041 0.841 9.285 1.00 0.51 H new ATOM 0 HB1 ALA A 46 123.300 -0.823 9.862 1.00 0.54 H new ATOM 0 HB2 ALA A 46 124.281 -1.343 8.471 1.00 0.54 H new ATOM 0 HB3 ALA A 46 124.565 -2.056 10.076 1.00 0.54 H new ATOM 653 N GLN A 47 126.090 -0.352 12.144 1.00 0.66 N ATOM 654 CA GLN A 47 126.157 -0.084 13.576 1.00 0.77 C ATOM 655 C GLN A 47 126.870 1.235 13.845 1.00 0.76 C ATOM 656 O GLN A 47 126.480 1.991 14.737 1.00 0.85 O ATOM 657 CB GLN A 47 126.875 -1.224 14.306 1.00 0.83 C ATOM 658 CG GLN A 47 126.033 -2.482 14.449 1.00 1.40 C ATOM 659 CD GLN A 47 126.835 -3.666 14.958 1.00 1.94 C ATOM 660 OE1 GLN A 47 127.674 -4.215 14.243 1.00 2.43 O ATOM 661 NE2 GLN A 47 126.582 -4.068 16.200 1.00 2.54 N ATOM 0 H GLN A 47 126.722 -1.087 11.826 1.00 0.66 H new ATOM 0 HA GLN A 47 125.137 -0.013 13.953 1.00 0.77 H new ATOM 0 HB2 GLN A 47 127.791 -1.469 13.768 1.00 0.83 H new ATOM 0 HB3 GLN A 47 127.170 -0.880 15.297 1.00 0.83 H new ATOM 0 HG2 GLN A 47 125.207 -2.286 15.133 1.00 1.40 H new ATOM 0 HG3 GLN A 47 125.594 -2.733 13.483 1.00 1.40 H new ATOM 0 HE21 GLN A 47 125.879 -3.585 16.759 1.00 2.54 H new ATOM 0 HE22 GLN A 47 127.091 -4.859 16.594 1.00 2.54 H new ATOM 670 N ASP A 48 127.922 1.501 13.068 1.00 0.68 N ATOM 671 CA ASP A 48 128.695 2.725 13.225 1.00 0.69 C ATOM 672 C ASP A 48 127.887 3.943 12.788 1.00 0.68 C ATOM 673 O ASP A 48 127.668 4.868 13.572 1.00 0.74 O ATOM 674 CB ASP A 48 130.002 2.649 12.426 1.00 0.65 C ATOM 675 CG ASP A 48 131.177 2.186 13.268 1.00 1.12 C ATOM 676 OD1 ASP A 48 131.168 1.019 13.715 1.00 1.70 O ATOM 677 OD2 ASP A 48 132.109 2.990 13.478 1.00 1.85 O ATOM 0 H ASP A 48 128.254 0.884 12.327 1.00 0.68 H new ATOM 0 HA ASP A 48 128.936 2.831 14.283 1.00 0.69 H new ATOM 0 HB2 ASP A 48 129.871 1.966 11.586 1.00 0.65 H new ATOM 0 HB3 ASP A 48 130.225 3.630 12.007 1.00 0.65 H new ATOM 682 N GLY A 49 127.450 3.930 11.532 1.00 0.61 N ATOM 683 CA GLY A 49 126.670 5.029 10.996 1.00 0.61 C ATOM 684 C GLY A 49 127.535 6.177 10.516 1.00 0.60 C ATOM 685 O GLY A 49 127.151 7.340 10.645 1.00 0.64 O ATOM 0 H GLY A 49 127.624 3.172 10.873 1.00 0.61 H new ATOM 0 HA2 GLY A 49 126.060 4.667 10.168 1.00 0.61 H new ATOM 0 HA3 GLY A 49 125.984 5.391 11.762 1.00 0.61 H new ATOM 689 N ARG A 50 128.706 5.855 9.958 1.00 0.55 N ATOM 690 CA ARG A 50 129.617 6.874 9.458 1.00 0.55 C ATOM 691 C ARG A 50 129.636 6.888 7.930 1.00 0.49 C ATOM 692 O ARG A 50 129.860 7.932 7.315 1.00 0.59 O ATOM 693 CB ARG A 50 131.028 6.638 9.999 1.00 0.57 C ATOM 694 CG ARG A 50 131.276 7.263 11.361 1.00 0.71 C ATOM 695 CD ARG A 50 132.757 7.264 11.708 1.00 1.22 C ATOM 696 NE ARG A 50 133.058 8.148 12.834 1.00 1.56 N ATOM 697 CZ ARG A 50 134.257 8.691 13.061 1.00 2.13 C ATOM 698 NH1 ARG A 50 135.280 8.443 12.246 1.00 2.67 N ATOM 699 NH2 ARG A 50 134.434 9.487 14.111 1.00 2.76 N ATOM 0 H ARG A 50 129.039 4.898 9.844 1.00 0.55 H new ATOM 0 HA ARG A 50 129.262 7.844 9.805 1.00 0.55 H new ATOM 0 HB2 ARG A 50 131.207 5.565 10.064 1.00 0.57 H new ATOM 0 HB3 ARG A 50 131.751 7.039 9.289 1.00 0.57 H new ATOM 0 HG2 ARG A 50 130.898 8.285 11.368 1.00 0.71 H new ATOM 0 HG3 ARG A 50 130.722 6.713 12.122 1.00 0.71 H new ATOM 0 HD2 ARG A 50 133.073 6.249 11.950 1.00 1.22 H new ATOM 0 HD3 ARG A 50 133.333 7.578 10.837 1.00 1.22 H new ATOM 0 HE ARG A 50 132.305 8.363 13.487 1.00 1.56 H new ATOM 0 HH11 ARG A 50 135.153 7.833 11.439 1.00 2.67 H new ATOM 0 HH12 ARG A 50 136.191 8.863 12.429 1.00 2.67 H new ATOM 0 HH21 ARG A 50 133.655 9.681 14.741 1.00 2.76 H new ATOM 0 HH22 ARG A 50 135.348 9.903 14.287 1.00 2.76 H new ATOM 713 N LEU A 51 129.405 5.720 7.324 1.00 0.43 N ATOM 714 CA LEU A 51 129.398 5.594 5.872 1.00 0.37 C ATOM 715 C LEU A 51 127.975 5.599 5.318 1.00 0.35 C ATOM 716 O LEU A 51 127.019 5.259 6.019 1.00 0.37 O ATOM 717 CB LEU A 51 130.104 4.307 5.451 1.00 0.33 C ATOM 718 CG LEU A 51 130.207 4.095 3.941 1.00 0.29 C ATOM 719 CD1 LEU A 51 131.459 4.762 3.389 1.00 0.30 C ATOM 720 CD2 LEU A 51 130.201 2.610 3.619 1.00 0.27 C ATOM 0 H LEU A 51 129.220 4.849 7.822 1.00 0.43 H new ATOM 0 HA LEU A 51 129.929 6.454 5.463 1.00 0.37 H new ATOM 0 HB2 LEU A 51 131.109 4.306 5.873 1.00 0.33 H new ATOM 0 HB3 LEU A 51 129.575 3.460 5.887 1.00 0.33 H new ATOM 0 HG LEU A 51 129.342 4.556 3.465 1.00 0.29 H new ATOM 0 HD11 LEU A 51 131.513 4.599 2.313 1.00 0.30 H new ATOM 0 HD12 LEU A 51 131.421 5.832 3.593 1.00 0.30 H new ATOM 0 HD13 LEU A 51 132.340 4.333 3.866 1.00 0.30 H new ATOM 0 HD21 LEU A 51 130.275 2.471 2.540 1.00 0.27 H new ATOM 0 HD22 LEU A 51 131.049 2.129 4.106 1.00 0.27 H new ATOM 0 HD23 LEU A 51 129.275 2.163 3.980 1.00 0.27 H new ATOM 732 N ARG A 52 127.853 5.988 4.051 1.00 0.33 N ATOM 733 CA ARG A 52 126.568 6.047 3.376 1.00 0.32 C ATOM 734 C ARG A 52 126.643 5.373 2.005 1.00 0.27 C ATOM 735 O ARG A 52 127.669 5.445 1.328 1.00 0.28 O ATOM 736 CB ARG A 52 126.165 7.504 3.215 1.00 0.37 C ATOM 737 CG ARG A 52 124.718 7.696 2.802 1.00 0.70 C ATOM 738 CD ARG A 52 123.845 8.099 3.981 1.00 1.33 C ATOM 739 NE ARG A 52 122.931 9.189 3.641 1.00 1.94 N ATOM 740 CZ ARG A 52 121.798 9.029 2.950 1.00 2.64 C ATOM 741 NH1 ARG A 52 121.429 7.824 2.523 1.00 3.11 N ATOM 742 NH2 ARG A 52 121.032 10.082 2.684 1.00 3.39 N ATOM 0 H ARG A 52 128.642 6.269 3.469 1.00 0.33 H new ATOM 0 HA ARG A 52 125.826 5.517 3.973 1.00 0.32 H new ATOM 0 HB2 ARG A 52 126.337 8.025 4.157 1.00 0.37 H new ATOM 0 HB3 ARG A 52 126.811 7.970 2.471 1.00 0.37 H new ATOM 0 HG2 ARG A 52 124.659 8.461 2.027 1.00 0.70 H new ATOM 0 HG3 ARG A 52 124.338 6.772 2.367 1.00 0.70 H new ATOM 0 HD2 ARG A 52 123.270 7.236 4.318 1.00 1.33 H new ATOM 0 HD3 ARG A 52 124.479 8.404 4.813 1.00 1.33 H new ATOM 0 HE ARG A 52 123.173 10.130 3.951 1.00 1.94 H new ATOM 0 HH11 ARG A 52 122.013 7.012 2.722 1.00 3.11 H new ATOM 0 HH12 ARG A 52 120.562 7.713 1.997 1.00 3.11 H new ATOM 0 HH21 ARG A 52 121.309 11.009 3.007 1.00 3.39 H new ATOM 0 HH22 ARG A 52 120.167 9.963 2.157 1.00 3.39 H new ATOM 756 N VAL A 53 125.551 4.722 1.599 1.00 0.25 N ATOM 757 CA VAL A 53 125.501 4.043 0.309 1.00 0.23 C ATOM 758 C VAL A 53 125.707 5.018 -0.850 1.00 0.24 C ATOM 759 O VAL A 53 125.438 6.216 -0.730 1.00 0.27 O ATOM 760 CB VAL A 53 124.162 3.300 0.121 1.00 0.26 C ATOM 761 CG1 VAL A 53 123.949 2.895 -1.334 1.00 0.27 C ATOM 762 CG2 VAL A 53 124.118 2.085 1.027 1.00 0.27 C ATOM 0 H VAL A 53 124.693 4.652 2.146 1.00 0.25 H new ATOM 0 HA VAL A 53 126.315 3.318 0.304 1.00 0.23 H new ATOM 0 HB VAL A 53 123.353 3.978 0.393 1.00 0.26 H new ATOM 0 HG11 VAL A 53 122.997 2.374 -1.431 1.00 0.27 H new ATOM 0 HG12 VAL A 53 123.941 3.786 -1.962 1.00 0.27 H new ATOM 0 HG13 VAL A 53 124.757 2.236 -1.650 1.00 0.27 H new ATOM 0 HG21 VAL A 53 123.171 1.564 0.891 1.00 0.27 H new ATOM 0 HG22 VAL A 53 124.940 1.415 0.777 1.00 0.27 H new ATOM 0 HG23 VAL A 53 124.211 2.402 2.066 1.00 0.27 H new ATOM 772 N ASN A 54 126.189 4.476 -1.968 1.00 0.24 N ATOM 773 CA ASN A 54 126.449 5.246 -3.182 1.00 0.28 C ATOM 774 C ASN A 54 127.742 6.063 -3.080 1.00 0.29 C ATOM 775 O ASN A 54 128.106 6.768 -4.024 1.00 0.34 O ATOM 776 CB ASN A 54 125.265 6.162 -3.516 1.00 0.33 C ATOM 777 CG ASN A 54 124.969 6.206 -5.004 1.00 0.56 C ATOM 778 OD1 ASN A 54 125.522 7.029 -5.733 1.00 1.24 O ATOM 779 ND2 ASN A 54 124.093 5.317 -5.464 1.00 1.37 N ATOM 0 H ASN A 54 126.411 3.484 -2.056 1.00 0.24 H new ATOM 0 HA ASN A 54 126.576 4.527 -3.992 1.00 0.28 H new ATOM 0 HB2 ASN A 54 124.380 5.816 -2.982 1.00 0.33 H new ATOM 0 HB3 ASN A 54 125.478 7.170 -3.161 1.00 0.33 H new ATOM 0 HD21 ASN A 54 123.857 5.300 -6.456 1.00 1.37 H new ATOM 0 HD22 ASN A 54 123.658 4.652 -4.825 1.00 1.37 H new ATOM 786 N ASP A 55 128.449 5.953 -1.949 1.00 0.26 N ATOM 787 CA ASP A 55 129.705 6.671 -1.765 1.00 0.29 C ATOM 788 C ASP A 55 130.798 5.994 -2.581 1.00 0.27 C ATOM 789 O ASP A 55 130.986 4.783 -2.479 1.00 0.23 O ATOM 790 CB ASP A 55 130.091 6.712 -0.285 1.00 0.28 C ATOM 791 CG ASP A 55 129.866 8.079 0.336 1.00 0.41 C ATOM 792 OD1 ASP A 55 130.651 9.005 0.039 1.00 1.21 O ATOM 793 OD2 ASP A 55 128.903 8.223 1.119 1.00 1.16 O ATOM 0 H ASP A 55 128.171 5.376 -1.155 1.00 0.26 H new ATOM 0 HA ASP A 55 129.582 7.698 -2.109 1.00 0.29 H new ATOM 0 HB2 ASP A 55 129.509 5.969 0.260 1.00 0.28 H new ATOM 0 HB3 ASP A 55 131.140 6.436 -0.179 1.00 0.28 H new ATOM 798 N SER A 56 131.502 6.764 -3.409 1.00 0.33 N ATOM 799 CA SER A 56 132.543 6.193 -4.255 1.00 0.34 C ATOM 800 C SER A 56 133.876 6.081 -3.512 1.00 0.32 C ATOM 801 O SER A 56 134.604 7.058 -3.343 1.00 0.37 O ATOM 802 CB SER A 56 132.691 7.001 -5.553 1.00 0.41 C ATOM 803 OG SER A 56 134.006 6.913 -6.077 1.00 1.10 O ATOM 0 H SER A 56 131.372 7.771 -3.510 1.00 0.33 H new ATOM 0 HA SER A 56 132.239 5.180 -4.520 1.00 0.34 H new ATOM 0 HB2 SER A 56 131.979 6.635 -6.293 1.00 0.41 H new ATOM 0 HB3 SER A 56 132.444 8.045 -5.362 1.00 0.41 H new ATOM 0 HG SER A 56 133.965 6.831 -7.053 1.00 1.10 H new ATOM 809 N ILE A 57 134.170 4.853 -3.081 1.00 0.28 N ATOM 810 CA ILE A 57 135.393 4.525 -2.353 1.00 0.28 C ATOM 811 C ILE A 57 136.636 5.145 -2.998 1.00 0.33 C ATOM 812 O ILE A 57 136.805 5.112 -4.219 1.00 0.42 O ATOM 813 CB ILE A 57 135.571 2.989 -2.268 1.00 0.25 C ATOM 814 CG1 ILE A 57 134.459 2.369 -1.424 1.00 0.23 C ATOM 815 CG2 ILE A 57 136.930 2.612 -1.703 1.00 0.32 C ATOM 816 CD1 ILE A 57 134.258 0.897 -1.697 1.00 0.30 C ATOM 0 H ILE A 57 133.558 4.051 -3.230 1.00 0.28 H new ATOM 0 HA ILE A 57 135.290 4.944 -1.352 1.00 0.28 H new ATOM 0 HB ILE A 57 135.511 2.595 -3.282 1.00 0.25 H new ATOM 0 HG12 ILE A 57 134.692 2.508 -0.368 1.00 0.23 H new ATOM 0 HG13 ILE A 57 133.526 2.899 -1.617 1.00 0.23 H new ATOM 0 HG21 ILE A 57 137.017 1.526 -1.659 1.00 0.32 H new ATOM 0 HG22 ILE A 57 137.715 3.013 -2.344 1.00 0.32 H new ATOM 0 HG23 ILE A 57 137.034 3.025 -0.700 1.00 0.32 H new ATOM 0 HD11 ILE A 57 133.455 0.516 -1.066 1.00 0.30 H new ATOM 0 HD12 ILE A 57 133.995 0.754 -2.745 1.00 0.30 H new ATOM 0 HD13 ILE A 57 135.179 0.357 -1.477 1.00 0.30 H new ATOM 828 N LEU A 58 137.502 5.697 -2.150 1.00 0.36 N ATOM 829 CA LEU A 58 138.746 6.321 -2.587 1.00 0.42 C ATOM 830 C LEU A 58 139.943 5.500 -2.110 1.00 0.41 C ATOM 831 O LEU A 58 140.836 5.173 -2.893 1.00 0.52 O ATOM 832 CB LEU A 58 138.851 7.747 -2.033 1.00 0.52 C ATOM 833 CG LEU A 58 138.433 8.866 -2.990 1.00 1.13 C ATOM 834 CD1 LEU A 58 138.970 10.203 -2.505 1.00 1.89 C ATOM 835 CD2 LEU A 58 138.914 8.583 -4.407 1.00 1.74 C ATOM 0 H LEU A 58 137.359 5.723 -1.140 1.00 0.36 H new ATOM 0 HA LEU A 58 138.747 6.360 -3.676 1.00 0.42 H new ATOM 0 HB2 LEU A 58 138.236 7.814 -1.135 1.00 0.52 H new ATOM 0 HB3 LEU A 58 139.882 7.923 -1.727 1.00 0.52 H new ATOM 0 HG LEU A 58 137.344 8.909 -3.006 1.00 1.13 H new ATOM 0 HD11 LEU A 58 138.665 10.990 -3.195 1.00 1.89 H new ATOM 0 HD12 LEU A 58 138.572 10.417 -1.513 1.00 1.89 H new ATOM 0 HD13 LEU A 58 140.058 10.163 -2.459 1.00 1.89 H new ATOM 0 HD21 LEU A 58 138.603 9.394 -5.066 1.00 1.74 H new ATOM 0 HD22 LEU A 58 140.001 8.507 -4.414 1.00 1.74 H new ATOM 0 HD23 LEU A 58 138.482 7.645 -4.757 1.00 1.74 H new ATOM 847 N PHE A 59 139.948 5.180 -0.814 1.00 0.39 N ATOM 848 CA PHE A 59 141.028 4.407 -0.206 1.00 0.38 C ATOM 849 C PHE A 59 140.494 3.453 0.862 1.00 0.34 C ATOM 850 O PHE A 59 139.403 3.648 1.401 1.00 0.36 O ATOM 851 CB PHE A 59 142.052 5.354 0.429 1.00 0.45 C ATOM 852 CG PHE A 59 143.303 5.534 -0.382 1.00 0.49 C ATOM 853 CD1 PHE A 59 143.298 6.317 -1.525 1.00 1.31 C ATOM 854 CD2 PHE A 59 144.485 4.921 0.002 1.00 1.28 C ATOM 855 CE1 PHE A 59 144.449 6.486 -2.269 1.00 1.34 C ATOM 856 CE2 PHE A 59 145.639 5.087 -0.738 1.00 1.31 C ATOM 857 CZ PHE A 59 145.620 5.869 -1.875 1.00 0.61 C ATOM 0 H PHE A 59 139.210 5.448 -0.163 1.00 0.39 H new ATOM 0 HA PHE A 59 141.502 3.818 -0.991 1.00 0.38 H new ATOM 0 HB2 PHE A 59 141.586 6.328 0.580 1.00 0.45 H new ATOM 0 HB3 PHE A 59 142.322 4.973 1.414 1.00 0.45 H new ATOM 0 HD1 PHE A 59 142.384 6.800 -1.837 1.00 1.31 H new ATOM 0 HD2 PHE A 59 144.504 4.307 0.890 1.00 1.28 H new ATOM 0 HE1 PHE A 59 144.433 7.100 -3.158 1.00 1.34 H new ATOM 0 HE2 PHE A 59 146.555 4.606 -0.428 1.00 1.31 H new ATOM 0 HZ PHE A 59 146.521 5.998 -2.457 1.00 0.61 H new ATOM 867 N VAL A 60 141.289 2.433 1.171 1.00 0.36 N ATOM 868 CA VAL A 60 140.936 1.446 2.187 1.00 0.35 C ATOM 869 C VAL A 60 142.136 1.207 3.097 1.00 0.43 C ATOM 870 O VAL A 60 143.010 0.397 2.781 1.00 0.64 O ATOM 871 CB VAL A 60 140.484 0.111 1.553 1.00 0.36 C ATOM 872 CG1 VAL A 60 140.210 -0.933 2.627 1.00 0.73 C ATOM 873 CG2 VAL A 60 139.254 0.324 0.680 1.00 0.72 C ATOM 0 H VAL A 60 142.192 2.267 0.727 1.00 0.36 H new ATOM 0 HA VAL A 60 140.099 1.837 2.766 1.00 0.35 H new ATOM 0 HB VAL A 60 141.292 -0.259 0.922 1.00 0.36 H new ATOM 0 HG11 VAL A 60 139.893 -1.864 2.157 1.00 0.73 H new ATOM 0 HG12 VAL A 60 141.118 -1.108 3.204 1.00 0.73 H new ATOM 0 HG13 VAL A 60 139.422 -0.575 3.290 1.00 0.73 H new ATOM 0 HG21 VAL A 60 138.950 -0.627 0.242 1.00 0.72 H new ATOM 0 HG22 VAL A 60 138.441 0.720 1.288 1.00 0.72 H new ATOM 0 HG23 VAL A 60 139.490 1.031 -0.115 1.00 0.72 H new ATOM 883 N ASN A 61 142.187 1.949 4.210 1.00 0.50 N ATOM 884 CA ASN A 61 143.303 1.862 5.159 1.00 0.62 C ATOM 885 C ASN A 61 144.556 2.486 4.537 1.00 0.82 C ATOM 886 O ASN A 61 145.005 3.553 4.959 1.00 1.62 O ATOM 887 CB ASN A 61 143.576 0.406 5.566 1.00 0.64 C ATOM 888 CG ASN A 61 143.828 0.255 7.057 1.00 0.81 C ATOM 889 OD1 ASN A 61 144.454 1.111 7.683 1.00 1.51 O ATOM 890 ND2 ASN A 61 143.343 -0.839 7.635 1.00 1.31 N ATOM 0 H ASN A 61 141.465 2.619 4.476 1.00 0.50 H new ATOM 0 HA ASN A 61 143.034 2.412 6.060 1.00 0.62 H new ATOM 0 HB2 ASN A 61 142.726 -0.213 5.280 1.00 0.64 H new ATOM 0 HB3 ASN A 61 144.440 0.034 5.015 1.00 0.64 H new ATOM 0 HD21 ASN A 61 143.484 -0.994 8.633 1.00 1.31 H new ATOM 0 HD22 ASN A 61 142.830 -1.524 7.080 1.00 1.31 H new ATOM 897 N GLU A 62 145.093 1.818 3.515 1.00 0.61 N ATOM 898 CA GLU A 62 146.273 2.289 2.792 1.00 0.70 C ATOM 899 C GLU A 62 146.267 1.741 1.357 1.00 0.63 C ATOM 900 O GLU A 62 147.323 1.493 0.770 1.00 0.71 O ATOM 901 CB GLU A 62 147.551 1.859 3.522 1.00 0.84 C ATOM 902 CG GLU A 62 148.023 2.858 4.567 1.00 1.54 C ATOM 903 CD GLU A 62 149.533 2.992 4.607 1.00 2.03 C ATOM 904 OE1 GLU A 62 150.078 3.811 3.837 1.00 2.65 O ATOM 905 OE2 GLU A 62 150.172 2.277 5.408 1.00 2.52 O ATOM 0 H GLU A 62 144.721 0.935 3.166 1.00 0.61 H new ATOM 0 HA GLU A 62 146.248 3.378 2.751 1.00 0.70 H new ATOM 0 HB2 GLU A 62 147.377 0.897 4.004 1.00 0.84 H new ATOM 0 HB3 GLU A 62 148.345 1.710 2.790 1.00 0.84 H new ATOM 0 HG2 GLU A 62 147.581 3.832 4.358 1.00 1.54 H new ATOM 0 HG3 GLU A 62 147.663 2.549 5.548 1.00 1.54 H new ATOM 912 N VAL A 63 145.062 1.545 0.808 1.00 0.52 N ATOM 913 CA VAL A 63 144.895 1.014 -0.543 1.00 0.49 C ATOM 914 C VAL A 63 144.116 1.980 -1.431 1.00 0.50 C ATOM 915 O VAL A 63 143.090 2.515 -1.020 1.00 0.63 O ATOM 916 CB VAL A 63 144.150 -0.340 -0.509 1.00 0.47 C ATOM 917 CG1 VAL A 63 143.524 -0.663 -1.862 1.00 0.55 C ATOM 918 CG2 VAL A 63 145.088 -1.450 -0.068 1.00 0.62 C ATOM 0 H VAL A 63 144.184 1.749 1.286 1.00 0.52 H new ATOM 0 HA VAL A 63 145.894 0.877 -0.958 1.00 0.49 H new ATOM 0 HB VAL A 63 143.341 -0.262 0.217 1.00 0.47 H new ATOM 0 HG11 VAL A 63 143.008 -1.621 -1.805 1.00 0.55 H new ATOM 0 HG12 VAL A 63 142.812 0.118 -2.129 1.00 0.55 H new ATOM 0 HG13 VAL A 63 144.305 -0.716 -2.621 1.00 0.55 H new ATOM 0 HG21 VAL A 63 144.548 -2.397 -0.049 1.00 0.62 H new ATOM 0 HG22 VAL A 63 145.921 -1.521 -0.767 1.00 0.62 H new ATOM 0 HG23 VAL A 63 145.469 -1.230 0.929 1.00 0.62 H new ATOM 928 N ASP A 64 144.593 2.173 -2.659 1.00 0.54 N ATOM 929 CA ASP A 64 143.919 3.052 -3.610 1.00 0.57 C ATOM 930 C ASP A 64 143.062 2.230 -4.574 1.00 0.60 C ATOM 931 O ASP A 64 143.551 1.290 -5.205 1.00 1.00 O ATOM 932 CB ASP A 64 144.940 3.900 -4.384 1.00 0.65 C ATOM 933 CG ASP A 64 145.653 3.125 -5.479 1.00 1.49 C ATOM 934 OD1 ASP A 64 146.564 2.336 -5.152 1.00 2.21 O ATOM 935 OD2 ASP A 64 145.297 3.308 -6.663 1.00 2.25 O ATOM 0 H ASP A 64 145.441 1.734 -3.017 1.00 0.54 H new ATOM 0 HA ASP A 64 143.268 3.728 -3.055 1.00 0.57 H new ATOM 0 HB2 ASP A 64 144.431 4.756 -4.826 1.00 0.65 H new ATOM 0 HB3 ASP A 64 145.679 4.294 -3.686 1.00 0.65 H new ATOM 940 N VAL A 65 141.782 2.582 -4.678 1.00 0.54 N ATOM 941 CA VAL A 65 140.863 1.867 -5.563 1.00 0.55 C ATOM 942 C VAL A 65 140.516 2.701 -6.802 1.00 0.70 C ATOM 943 O VAL A 65 139.400 2.624 -7.323 1.00 0.95 O ATOM 944 CB VAL A 65 139.563 1.463 -4.828 1.00 0.50 C ATOM 945 CG1 VAL A 65 139.877 0.584 -3.627 1.00 0.52 C ATOM 946 CG2 VAL A 65 138.770 2.693 -4.405 1.00 0.61 C ATOM 0 H VAL A 65 141.359 3.354 -4.163 1.00 0.54 H new ATOM 0 HA VAL A 65 141.378 0.961 -5.883 1.00 0.55 H new ATOM 0 HB VAL A 65 138.947 0.889 -5.521 1.00 0.50 H new ATOM 0 HG11 VAL A 65 138.950 0.311 -3.124 1.00 0.52 H new ATOM 0 HG12 VAL A 65 140.388 -0.319 -3.961 1.00 0.52 H new ATOM 0 HG13 VAL A 65 140.518 1.129 -2.935 1.00 0.52 H new ATOM 0 HG21 VAL A 65 137.861 2.381 -3.891 1.00 0.61 H new ATOM 0 HG22 VAL A 65 139.375 3.303 -3.734 1.00 0.61 H new ATOM 0 HG23 VAL A 65 138.506 3.276 -5.287 1.00 0.61 H new ATOM 956 N ARG A 66 141.483 3.493 -7.272 1.00 0.89 N ATOM 957 CA ARG A 66 141.285 4.337 -8.449 1.00 1.04 C ATOM 958 C ARG A 66 141.034 3.494 -9.697 1.00 1.07 C ATOM 959 O ARG A 66 140.139 3.796 -10.489 1.00 1.74 O ATOM 960 CB ARG A 66 142.499 5.244 -8.668 1.00 1.16 C ATOM 961 CG ARG A 66 142.541 6.442 -7.732 1.00 1.69 C ATOM 962 CD ARG A 66 143.649 7.413 -8.115 1.00 2.11 C ATOM 963 NE ARG A 66 143.157 8.784 -8.258 1.00 2.70 N ATOM 964 CZ ARG A 66 143.825 9.758 -8.884 1.00 3.31 C ATOM 965 NH1 ARG A 66 145.018 9.521 -9.425 1.00 3.60 N ATOM 966 NH2 ARG A 66 143.297 10.975 -8.968 1.00 4.12 N ATOM 0 H ARG A 66 142.411 3.566 -6.854 1.00 0.89 H new ATOM 0 HA ARG A 66 140.405 4.955 -8.270 1.00 1.04 H new ATOM 0 HB2 ARG A 66 143.408 4.658 -8.535 1.00 1.16 H new ATOM 0 HB3 ARG A 66 142.496 5.599 -9.699 1.00 1.16 H new ATOM 0 HG2 ARG A 66 141.581 6.957 -7.756 1.00 1.69 H new ATOM 0 HG3 ARG A 66 142.694 6.100 -6.708 1.00 1.69 H new ATOM 0 HD2 ARG A 66 144.431 7.387 -7.356 1.00 2.11 H new ATOM 0 HD3 ARG A 66 144.103 7.092 -9.052 1.00 2.11 H new ATOM 0 HE ARG A 66 142.248 9.010 -7.855 1.00 2.70 H new ATOM 0 HH11 ARG A 66 145.430 8.590 -9.364 1.00 3.60 H new ATOM 0 HH12 ARG A 66 145.520 10.271 -9.901 1.00 3.60 H new ATOM 0 HH21 ARG A 66 142.384 11.164 -8.555 1.00 4.12 H new ATOM 0 HH22 ARG A 66 143.805 11.720 -9.445 1.00 4.12 H new ATOM 980 N GLU A 67 141.830 2.439 -9.865 1.00 0.84 N ATOM 981 CA GLU A 67 141.698 1.553 -11.016 1.00 0.90 C ATOM 982 C GLU A 67 141.722 0.080 -10.595 1.00 0.86 C ATOM 983 O GLU A 67 142.461 -0.727 -11.163 1.00 0.96 O ATOM 984 CB GLU A 67 142.813 1.833 -12.029 1.00 1.06 C ATOM 985 CG GLU A 67 142.666 3.168 -12.741 1.00 1.66 C ATOM 986 CD GLU A 67 143.998 3.856 -12.975 1.00 1.96 C ATOM 987 OE1 GLU A 67 144.446 4.602 -12.078 1.00 2.45 O ATOM 988 OE2 GLU A 67 144.592 3.648 -14.054 1.00 2.35 O ATOM 0 H GLU A 67 142.573 2.178 -9.217 1.00 0.84 H new ATOM 0 HA GLU A 67 140.733 1.751 -11.482 1.00 0.90 H new ATOM 0 HB2 GLU A 67 143.774 1.808 -11.515 1.00 1.06 H new ATOM 0 HB3 GLU A 67 142.828 1.035 -12.771 1.00 1.06 H new ATOM 0 HG2 GLU A 67 142.169 3.012 -13.699 1.00 1.66 H new ATOM 0 HG3 GLU A 67 142.023 3.821 -12.151 1.00 1.66 H new ATOM 995 N VAL A 68 140.895 -0.268 -9.605 1.00 0.77 N ATOM 996 CA VAL A 68 140.813 -1.648 -9.126 1.00 0.74 C ATOM 997 C VAL A 68 139.413 -2.215 -9.351 1.00 0.71 C ATOM 998 O VAL A 68 138.427 -1.474 -9.347 1.00 0.67 O ATOM 999 CB VAL A 68 141.195 -1.772 -7.632 1.00 0.68 C ATOM 1000 CG1 VAL A 68 142.554 -1.139 -7.370 1.00 0.76 C ATOM 1001 CG2 VAL A 68 140.130 -1.149 -6.741 1.00 0.57 C ATOM 0 H VAL A 68 140.276 0.384 -9.123 1.00 0.77 H new ATOM 0 HA VAL A 68 141.535 -2.226 -9.703 1.00 0.74 H new ATOM 0 HB VAL A 68 141.258 -2.833 -7.388 1.00 0.68 H new ATOM 0 HG11 VAL A 68 142.803 -1.237 -6.313 1.00 0.76 H new ATOM 0 HG12 VAL A 68 143.312 -1.643 -7.970 1.00 0.76 H new ATOM 0 HG13 VAL A 68 142.521 -0.083 -7.639 1.00 0.76 H new ATOM 0 HG21 VAL A 68 140.425 -1.251 -5.696 1.00 0.57 H new ATOM 0 HG22 VAL A 68 140.023 -0.093 -6.987 1.00 0.57 H new ATOM 0 HG23 VAL A 68 139.179 -1.657 -6.901 1.00 0.57 H new ATOM 1011 N THR A 69 139.334 -3.528 -9.566 1.00 0.76 N ATOM 1012 CA THR A 69 138.058 -4.190 -9.819 1.00 0.76 C ATOM 1013 C THR A 69 137.123 -4.081 -8.620 1.00 0.68 C ATOM 1014 O THR A 69 137.564 -3.834 -7.495 1.00 0.62 O ATOM 1015 CB THR A 69 138.262 -5.668 -10.206 1.00 0.83 C ATOM 1016 OG1 THR A 69 138.123 -6.519 -9.080 1.00 1.10 O ATOM 1017 CG2 THR A 69 139.610 -5.967 -10.835 1.00 1.17 C ATOM 0 H THR A 69 140.140 -4.153 -9.570 1.00 0.76 H new ATOM 0 HA THR A 69 137.592 -3.676 -10.659 1.00 0.76 H new ATOM 0 HB THR A 69 137.487 -5.859 -10.948 1.00 0.83 H new ATOM 0 HG1 THR A 69 138.256 -7.450 -9.355 1.00 1.10 H new ATOM 0 HG21 THR A 69 139.671 -7.028 -11.077 1.00 1.17 H new ATOM 0 HG22 THR A 69 139.725 -5.380 -11.746 1.00 1.17 H new ATOM 0 HG23 THR A 69 140.404 -5.708 -10.134 1.00 1.17 H new ATOM 1025 N HIS A 70 135.828 -4.273 -8.872 1.00 0.70 N ATOM 1026 CA HIS A 70 134.822 -4.208 -7.815 1.00 0.65 C ATOM 1027 C HIS A 70 135.154 -5.205 -6.706 1.00 0.64 C ATOM 1028 O HIS A 70 134.895 -4.947 -5.530 1.00 0.59 O ATOM 1029 CB HIS A 70 133.420 -4.470 -8.386 1.00 0.71 C ATOM 1030 CG HIS A 70 132.963 -5.893 -8.273 1.00 1.05 C ATOM 1031 ND1 HIS A 70 133.225 -6.848 -9.233 1.00 1.56 N ATOM 1032 CD2 HIS A 70 132.256 -6.520 -7.304 1.00 1.49 C ATOM 1033 CE1 HIS A 70 132.697 -8.000 -8.860 1.00 2.13 C ATOM 1034 NE2 HIS A 70 132.104 -7.827 -7.693 1.00 2.06 N ATOM 0 H HIS A 70 135.452 -4.475 -9.799 1.00 0.70 H new ATOM 0 HA HIS A 70 134.830 -3.205 -7.388 1.00 0.65 H new ATOM 0 HB2 HIS A 70 132.705 -3.829 -7.870 1.00 0.71 H new ATOM 0 HB3 HIS A 70 133.408 -4.179 -9.436 1.00 0.71 H new ATOM 0 HD2 HIS A 70 131.881 -6.075 -6.394 1.00 1.49 H new ATOM 0 HE1 HIS A 70 132.743 -8.925 -9.415 1.00 2.13 H new ATOM 0 HE2 HIS A 70 131.612 -8.549 -7.166 1.00 2.06 H new ATOM 1043 N SER A 71 135.747 -6.337 -7.093 1.00 0.71 N ATOM 1044 CA SER A 71 136.135 -7.367 -6.137 1.00 0.74 C ATOM 1045 C SER A 71 137.374 -6.934 -5.369 1.00 0.67 C ATOM 1046 O SER A 71 137.509 -7.245 -4.191 1.00 0.65 O ATOM 1047 CB SER A 71 136.389 -8.701 -6.845 1.00 0.86 C ATOM 1048 OG SER A 71 135.251 -9.116 -7.580 1.00 1.57 O ATOM 0 H SER A 71 135.967 -6.560 -8.064 1.00 0.71 H new ATOM 0 HA SER A 71 135.314 -7.505 -5.433 1.00 0.74 H new ATOM 0 HB2 SER A 71 137.242 -8.603 -7.516 1.00 0.86 H new ATOM 0 HB3 SER A 71 136.648 -9.463 -6.109 1.00 0.86 H new ATOM 0 HG SER A 71 135.441 -9.969 -8.023 1.00 1.57 H new ATOM 1054 N ALA A 72 138.265 -6.193 -6.033 1.00 0.65 N ATOM 1055 CA ALA A 72 139.472 -5.697 -5.383 1.00 0.61 C ATOM 1056 C ALA A 72 139.100 -4.665 -4.321 1.00 0.49 C ATOM 1057 O ALA A 72 139.698 -4.620 -3.247 1.00 0.47 O ATOM 1058 CB ALA A 72 140.433 -5.106 -6.397 1.00 0.65 C ATOM 0 H ALA A 72 138.171 -5.927 -7.013 1.00 0.65 H new ATOM 0 HA ALA A 72 139.977 -6.533 -4.900 1.00 0.61 H new ATOM 0 HB1 ALA A 72 141.325 -4.744 -5.885 1.00 0.65 H new ATOM 0 HB2 ALA A 72 140.715 -5.871 -7.120 1.00 0.65 H new ATOM 0 HB3 ALA A 72 139.951 -4.278 -6.916 1.00 0.65 H new ATOM 1064 N ALA A 73 138.077 -3.860 -4.619 1.00 0.44 N ATOM 1065 CA ALA A 73 137.586 -2.862 -3.680 1.00 0.35 C ATOM 1066 C ALA A 73 136.926 -3.561 -2.504 1.00 0.34 C ATOM 1067 O ALA A 73 137.195 -3.249 -1.339 1.00 0.29 O ATOM 1068 CB ALA A 73 136.601 -1.942 -4.365 1.00 0.36 C ATOM 0 H ALA A 73 137.575 -3.884 -5.507 1.00 0.44 H new ATOM 0 HA ALA A 73 138.421 -2.262 -3.319 1.00 0.35 H new ATOM 0 HB1 ALA A 73 136.241 -1.200 -3.653 1.00 0.36 H new ATOM 0 HB2 ALA A 73 137.092 -1.438 -5.197 1.00 0.36 H new ATOM 0 HB3 ALA A 73 135.759 -2.524 -4.740 1.00 0.36 H new ATOM 1074 N VAL A 74 136.080 -4.541 -2.827 1.00 0.42 N ATOM 1075 CA VAL A 74 135.402 -5.326 -1.812 1.00 0.47 C ATOM 1076 C VAL A 74 136.438 -5.988 -0.926 1.00 0.49 C ATOM 1077 O VAL A 74 136.397 -5.865 0.297 1.00 0.47 O ATOM 1078 CB VAL A 74 134.474 -6.398 -2.430 1.00 0.60 C ATOM 1079 CG1 VAL A 74 133.965 -7.360 -1.363 1.00 0.67 C ATOM 1080 CG2 VAL A 74 133.308 -5.742 -3.158 1.00 0.64 C ATOM 0 H VAL A 74 135.853 -4.805 -3.786 1.00 0.42 H new ATOM 0 HA VAL A 74 134.774 -4.655 -1.226 1.00 0.47 H new ATOM 0 HB VAL A 74 135.055 -6.971 -3.153 1.00 0.60 H new ATOM 0 HG11 VAL A 74 133.315 -8.104 -1.824 1.00 0.67 H new ATOM 0 HG12 VAL A 74 134.811 -7.860 -0.891 1.00 0.67 H new ATOM 0 HG13 VAL A 74 133.405 -6.805 -0.610 1.00 0.67 H new ATOM 0 HG21 VAL A 74 132.667 -6.512 -3.586 1.00 0.64 H new ATOM 0 HG22 VAL A 74 132.732 -5.140 -2.455 1.00 0.64 H new ATOM 0 HG23 VAL A 74 133.689 -5.104 -3.955 1.00 0.64 H new ATOM 1090 N GLU A 75 137.391 -6.651 -1.573 1.00 0.53 N ATOM 1091 CA GLU A 75 138.483 -7.313 -0.885 1.00 0.57 C ATOM 1092 C GLU A 75 139.238 -6.319 0.002 1.00 0.46 C ATOM 1093 O GLU A 75 139.771 -6.701 1.040 1.00 0.48 O ATOM 1094 CB GLU A 75 139.431 -7.956 -1.904 1.00 0.67 C ATOM 1095 CG GLU A 75 140.580 -7.060 -2.329 1.00 0.63 C ATOM 1096 CD GLU A 75 141.941 -7.688 -2.090 1.00 0.84 C ATOM 1097 OE1 GLU A 75 142.222 -8.083 -0.938 1.00 1.41 O ATOM 1098 OE2 GLU A 75 142.728 -7.781 -3.055 1.00 1.49 O ATOM 0 H GLU A 75 137.424 -6.742 -2.588 1.00 0.53 H new ATOM 0 HA GLU A 75 138.074 -8.096 -0.246 1.00 0.57 H new ATOM 0 HB2 GLU A 75 139.837 -8.873 -1.478 1.00 0.67 H new ATOM 0 HB3 GLU A 75 138.860 -8.240 -2.788 1.00 0.67 H new ATOM 0 HG2 GLU A 75 140.476 -6.823 -3.388 1.00 0.63 H new ATOM 0 HG3 GLU A 75 140.520 -6.118 -1.784 1.00 0.63 H new ATOM 1105 N ALA A 76 139.268 -5.037 -0.408 1.00 0.37 N ATOM 1106 CA ALA A 76 139.945 -4.008 0.377 1.00 0.31 C ATOM 1107 C ALA A 76 139.278 -3.883 1.734 1.00 0.28 C ATOM 1108 O ALA A 76 139.944 -3.875 2.769 1.00 0.32 O ATOM 1109 CB ALA A 76 139.935 -2.669 -0.342 1.00 0.32 C ATOM 0 H ALA A 76 138.835 -4.700 -1.268 1.00 0.37 H new ATOM 0 HA ALA A 76 140.986 -4.304 0.510 1.00 0.31 H new ATOM 0 HB1 ALA A 76 140.446 -1.925 0.268 1.00 0.32 H new ATOM 0 HB2 ALA A 76 140.446 -2.766 -1.300 1.00 0.32 H new ATOM 0 HB3 ALA A 76 138.905 -2.354 -0.511 1.00 0.32 H new ATOM 1115 N LEU A 77 137.949 -3.817 1.713 1.00 0.28 N ATOM 1116 CA LEU A 77 137.166 -3.726 2.944 1.00 0.31 C ATOM 1117 C LEU A 77 137.425 -4.958 3.818 1.00 0.43 C ATOM 1118 O LEU A 77 137.478 -4.863 5.045 1.00 0.49 O ATOM 1119 CB LEU A 77 135.666 -3.607 2.633 1.00 0.41 C ATOM 1120 CG LEU A 77 135.296 -2.814 1.369 1.00 0.49 C ATOM 1121 CD1 LEU A 77 133.816 -2.469 1.381 1.00 0.82 C ATOM 1122 CD2 LEU A 77 136.134 -1.546 1.239 1.00 0.74 C ATOM 0 H LEU A 77 137.392 -3.825 0.859 1.00 0.28 H new ATOM 0 HA LEU A 77 137.475 -2.830 3.483 1.00 0.31 H new ATOM 0 HB2 LEU A 77 135.255 -4.612 2.540 1.00 0.41 H new ATOM 0 HB3 LEU A 77 135.175 -3.140 3.487 1.00 0.41 H new ATOM 0 HG LEU A 77 135.509 -3.443 0.505 1.00 0.49 H new ATOM 0 HD11 LEU A 77 133.566 -1.907 0.481 1.00 0.82 H new ATOM 0 HD12 LEU A 77 133.229 -3.387 1.411 1.00 0.82 H new ATOM 0 HD13 LEU A 77 133.590 -1.865 2.260 1.00 0.82 H new ATOM 0 HD21 LEU A 77 135.846 -1.010 0.334 1.00 0.74 H new ATOM 0 HD22 LEU A 77 135.966 -0.909 2.107 1.00 0.74 H new ATOM 0 HD23 LEU A 77 137.190 -1.812 1.182 1.00 0.74 H new ATOM 1134 N LYS A 78 137.604 -6.112 3.162 1.00 0.51 N ATOM 1135 CA LYS A 78 137.882 -7.377 3.857 1.00 0.68 C ATOM 1136 C LYS A 78 139.338 -7.449 4.316 1.00 0.72 C ATOM 1137 O LYS A 78 139.655 -8.139 5.286 1.00 0.89 O ATOM 1138 CB LYS A 78 137.598 -8.594 2.965 1.00 0.83 C ATOM 1139 CG LYS A 78 136.763 -8.297 1.736 1.00 0.68 C ATOM 1140 CD LYS A 78 135.369 -7.840 2.115 1.00 1.75 C ATOM 1141 CE LYS A 78 134.401 -8.998 2.061 1.00 1.85 C ATOM 1142 NZ LYS A 78 132.984 -8.557 2.192 1.00 3.12 N ATOM 0 H LYS A 78 137.561 -6.196 2.146 1.00 0.51 H new ATOM 0 HA LYS A 78 137.218 -7.401 4.721 1.00 0.68 H new ATOM 0 HB2 LYS A 78 138.548 -9.024 2.647 1.00 0.83 H new ATOM 0 HB3 LYS A 78 137.088 -9.352 3.560 1.00 0.83 H new ATOM 0 HG2 LYS A 78 137.251 -7.526 1.140 1.00 0.68 H new ATOM 0 HG3 LYS A 78 136.699 -9.189 1.113 1.00 0.68 H new ATOM 0 HD2 LYS A 78 135.380 -7.413 3.118 1.00 1.75 H new ATOM 0 HD3 LYS A 78 135.041 -7.052 1.437 1.00 1.75 H new ATOM 0 HE2 LYS A 78 134.528 -9.531 1.119 1.00 1.85 H new ATOM 0 HE3 LYS A 78 134.635 -9.702 2.859 1.00 1.85 H new ATOM 0 HZ1 LYS A 78 132.357 -9.386 2.149 1.00 3.12 H new ATOM 0 HZ2 LYS A 78 132.854 -8.071 3.102 1.00 3.12 H new ATOM 0 HZ3 LYS A 78 132.750 -7.906 1.416 1.00 3.12 H new ATOM 1156 N GLU A 79 140.223 -6.743 3.604 1.00 0.60 N ATOM 1157 CA GLU A 79 141.648 -6.743 3.931 1.00 0.69 C ATOM 1158 C GLU A 79 142.033 -5.508 4.743 1.00 0.66 C ATOM 1159 O GLU A 79 143.218 -5.214 4.917 1.00 0.80 O ATOM 1160 CB GLU A 79 142.492 -6.837 2.650 1.00 0.73 C ATOM 1161 CG GLU A 79 142.764 -5.497 1.976 1.00 1.19 C ATOM 1162 CD GLU A 79 143.415 -5.648 0.611 1.00 1.87 C ATOM 1163 OE1 GLU A 79 144.491 -6.277 0.531 1.00 2.51 O ATOM 1164 OE2 GLU A 79 142.850 -5.135 -0.378 1.00 2.40 O ATOM 0 H GLU A 79 139.976 -6.166 2.800 1.00 0.60 H new ATOM 0 HA GLU A 79 141.851 -7.619 4.547 1.00 0.69 H new ATOM 0 HB2 GLU A 79 143.445 -7.309 2.891 1.00 0.73 H new ATOM 0 HB3 GLU A 79 141.983 -7.490 1.941 1.00 0.73 H new ATOM 0 HG2 GLU A 79 141.826 -4.952 1.868 1.00 1.19 H new ATOM 0 HG3 GLU A 79 143.409 -4.897 2.617 1.00 1.19 H new ATOM 1171 N ALA A 80 141.027 -4.796 5.254 1.00 0.59 N ATOM 1172 CA ALA A 80 141.260 -3.609 6.056 1.00 0.58 C ATOM 1173 C ALA A 80 141.496 -3.966 7.533 1.00 0.66 C ATOM 1174 O ALA A 80 141.401 -3.103 8.408 1.00 0.78 O ATOM 1175 CB ALA A 80 140.081 -2.668 5.901 1.00 0.50 C ATOM 0 H ALA A 80 140.042 -5.027 5.122 1.00 0.59 H new ATOM 0 HA ALA A 80 142.165 -3.114 5.703 1.00 0.58 H new ATOM 0 HB1 ALA A 80 140.248 -1.773 6.501 1.00 0.50 H new ATOM 0 HB2 ALA A 80 139.974 -2.388 4.853 1.00 0.50 H new ATOM 0 HB3 ALA A 80 139.172 -3.166 6.238 1.00 0.50 H new ATOM 1181 N GLY A 81 141.800 -5.246 7.805 1.00 0.72 N ATOM 1182 CA GLY A 81 142.035 -5.691 9.169 1.00 0.80 C ATOM 1183 C GLY A 81 140.751 -5.753 9.967 1.00 0.77 C ATOM 1184 O GLY A 81 139.927 -6.646 9.761 1.00 0.82 O ATOM 0 H GLY A 81 141.886 -5.977 7.099 1.00 0.72 H new ATOM 0 HA2 GLY A 81 142.503 -6.676 9.155 1.00 0.80 H new ATOM 0 HA3 GLY A 81 142.735 -5.013 9.658 1.00 0.80 H new ATOM 1188 N SER A 82 140.568 -4.782 10.856 1.00 0.74 N ATOM 1189 CA SER A 82 139.371 -4.696 11.666 1.00 0.72 C ATOM 1190 C SER A 82 138.794 -3.294 11.530 1.00 0.66 C ATOM 1191 O SER A 82 138.045 -3.028 10.593 1.00 0.61 O ATOM 1192 CB SER A 82 139.674 -5.038 13.128 1.00 0.79 C ATOM 1193 OG SER A 82 139.847 -6.434 13.300 1.00 1.48 O ATOM 0 H SER A 82 141.245 -4.039 11.030 1.00 0.74 H new ATOM 0 HA SER A 82 138.637 -5.422 11.318 1.00 0.72 H new ATOM 0 HB2 SER A 82 140.575 -4.515 13.448 1.00 0.79 H new ATOM 0 HB3 SER A 82 138.860 -4.688 13.763 1.00 0.79 H new ATOM 0 HG SER A 82 140.041 -6.626 14.241 1.00 1.48 H new ATOM 1199 N ILE A 83 139.166 -2.393 12.435 1.00 0.68 N ATOM 1200 CA ILE A 83 138.695 -1.018 12.380 1.00 0.65 C ATOM 1201 C ILE A 83 139.511 -0.226 11.357 1.00 0.64 C ATOM 1202 O ILE A 83 140.617 0.237 11.641 1.00 0.75 O ATOM 1203 CB ILE A 83 138.741 -0.354 13.773 1.00 0.71 C ATOM 1204 CG1 ILE A 83 138.108 1.032 13.725 1.00 0.72 C ATOM 1205 CG2 ILE A 83 140.162 -0.281 14.310 1.00 0.75 C ATOM 1206 CD1 ILE A 83 136.601 0.991 13.696 1.00 0.75 C ATOM 0 H ILE A 83 139.793 -2.593 13.214 1.00 0.68 H new ATOM 0 HA ILE A 83 137.653 -1.021 12.061 1.00 0.65 H new ATOM 0 HB ILE A 83 138.164 -0.976 14.458 1.00 0.71 H new ATOM 0 HG12 ILE A 83 138.434 1.604 14.594 1.00 0.72 H new ATOM 0 HG13 ILE A 83 138.469 1.560 12.842 1.00 0.72 H new ATOM 0 HG21 ILE A 83 140.156 0.192 15.292 1.00 0.75 H new ATOM 0 HG22 ILE A 83 140.571 -1.288 14.395 1.00 0.75 H new ATOM 0 HG23 ILE A 83 140.779 0.305 13.629 1.00 0.75 H new ATOM 0 HD11 ILE A 83 136.210 2.008 13.662 1.00 0.75 H new ATOM 0 HD12 ILE A 83 136.269 0.445 12.813 1.00 0.75 H new ATOM 0 HD13 ILE A 83 136.233 0.490 14.592 1.00 0.75 H new ATOM 1218 N VAL A 84 138.966 -0.120 10.143 1.00 0.53 N ATOM 1219 CA VAL A 84 139.647 0.564 9.048 1.00 0.50 C ATOM 1220 C VAL A 84 138.957 1.857 8.628 1.00 0.48 C ATOM 1221 O VAL A 84 137.737 1.901 8.470 1.00 0.45 O ATOM 1222 CB VAL A 84 139.758 -0.354 7.815 1.00 0.46 C ATOM 1223 CG1 VAL A 84 138.388 -0.814 7.325 1.00 0.43 C ATOM 1224 CG2 VAL A 84 140.533 0.338 6.701 1.00 0.44 C ATOM 0 H VAL A 84 138.053 -0.501 9.896 1.00 0.53 H new ATOM 0 HA VAL A 84 140.637 0.817 9.428 1.00 0.50 H new ATOM 0 HB VAL A 84 140.307 -1.246 8.116 1.00 0.46 H new ATOM 0 HG11 VAL A 84 138.510 -1.459 6.455 1.00 0.43 H new ATOM 0 HG12 VAL A 84 137.885 -1.367 8.118 1.00 0.43 H new ATOM 0 HG13 VAL A 84 137.789 0.055 7.051 1.00 0.43 H new ATOM 0 HG21 VAL A 84 140.601 -0.325 5.839 1.00 0.44 H new ATOM 0 HG22 VAL A 84 140.017 1.254 6.414 1.00 0.44 H new ATOM 0 HG23 VAL A 84 141.536 0.581 7.052 1.00 0.44 H new ATOM 1234 N ARG A 85 139.761 2.896 8.401 1.00 0.49 N ATOM 1235 CA ARG A 85 139.238 4.177 7.947 1.00 0.48 C ATOM 1236 C ARG A 85 139.119 4.151 6.427 1.00 0.42 C ATOM 1237 O ARG A 85 140.116 4.275 5.711 1.00 0.42 O ATOM 1238 CB ARG A 85 140.149 5.326 8.390 1.00 0.54 C ATOM 1239 CG ARG A 85 140.211 5.507 9.898 1.00 1.43 C ATOM 1240 CD ARG A 85 141.417 6.335 10.311 1.00 1.66 C ATOM 1241 NE ARG A 85 141.185 7.061 11.560 1.00 2.36 N ATOM 1242 CZ ARG A 85 141.844 8.166 11.918 1.00 2.80 C ATOM 1243 NH1 ARG A 85 142.784 8.680 11.127 1.00 2.83 N ATOM 1244 NH2 ARG A 85 141.562 8.761 13.072 1.00 3.75 N ATOM 0 H ARG A 85 140.773 2.872 8.525 1.00 0.49 H new ATOM 0 HA ARG A 85 138.256 4.341 8.391 1.00 0.48 H new ATOM 0 HB2 ARG A 85 141.156 5.147 8.012 1.00 0.54 H new ATOM 0 HB3 ARG A 85 139.798 6.253 7.935 1.00 0.54 H new ATOM 0 HG2 ARG A 85 139.299 5.993 10.245 1.00 1.43 H new ATOM 0 HG3 ARG A 85 140.256 4.531 10.381 1.00 1.43 H new ATOM 0 HD2 ARG A 85 142.282 5.682 10.427 1.00 1.66 H new ATOM 0 HD3 ARG A 85 141.657 7.044 9.519 1.00 1.66 H new ATOM 0 HE ARG A 85 140.475 6.700 12.198 1.00 2.36 H new ATOM 0 HH11 ARG A 85 143.006 8.229 10.239 1.00 2.83 H new ATOM 0 HH12 ARG A 85 143.282 9.524 11.409 1.00 2.83 H new ATOM 0 HH21 ARG A 85 140.843 8.374 13.683 1.00 3.75 H new ATOM 0 HH22 ARG A 85 142.065 9.605 13.347 1.00 3.75 H new ATOM 1258 N LEU A 86 137.895 3.966 5.943 1.00 0.37 N ATOM 1259 CA LEU A 86 137.634 3.895 4.511 1.00 0.32 C ATOM 1260 C LEU A 86 137.298 5.267 3.943 1.00 0.34 C ATOM 1261 O LEU A 86 136.529 6.021 4.533 1.00 0.39 O ATOM 1262 CB LEU A 86 136.485 2.919 4.238 1.00 0.27 C ATOM 1263 CG LEU A 86 136.798 1.440 4.491 1.00 0.27 C ATOM 1264 CD1 LEU A 86 135.778 0.555 3.800 1.00 0.25 C ATOM 1265 CD2 LEU A 86 138.200 1.089 4.023 1.00 0.29 C ATOM 0 H LEU A 86 137.064 3.862 6.526 1.00 0.37 H new ATOM 0 HA LEU A 86 138.538 3.538 4.018 1.00 0.32 H new ATOM 0 HB2 LEU A 86 135.635 3.203 4.859 1.00 0.27 H new ATOM 0 HB3 LEU A 86 136.174 3.034 3.200 1.00 0.27 H new ATOM 0 HG LEU A 86 136.744 1.266 5.566 1.00 0.27 H new ATOM 0 HD11 LEU A 86 136.016 -0.492 3.990 1.00 0.25 H new ATOM 0 HD12 LEU A 86 134.783 0.777 4.186 1.00 0.25 H new ATOM 0 HD13 LEU A 86 135.801 0.743 2.727 1.00 0.25 H new ATOM 0 HD21 LEU A 86 138.394 0.034 4.215 1.00 0.29 H new ATOM 0 HD22 LEU A 86 138.287 1.285 2.954 1.00 0.29 H new ATOM 0 HD23 LEU A 86 138.927 1.696 4.563 1.00 0.29 H new ATOM 1277 N TYR A 87 137.869 5.582 2.787 1.00 0.34 N ATOM 1278 CA TYR A 87 137.619 6.863 2.142 1.00 0.39 C ATOM 1279 C TYR A 87 136.597 6.703 1.024 1.00 0.36 C ATOM 1280 O TYR A 87 136.596 5.696 0.317 1.00 0.40 O ATOM 1281 CB TYR A 87 138.922 7.446 1.589 1.00 0.47 C ATOM 1282 CG TYR A 87 139.267 8.801 2.161 1.00 0.62 C ATOM 1283 CD1 TYR A 87 138.587 9.942 1.754 1.00 1.38 C ATOM 1284 CD2 TYR A 87 140.272 8.941 3.110 1.00 1.38 C ATOM 1285 CE1 TYR A 87 138.899 11.182 2.275 1.00 1.49 C ATOM 1286 CE2 TYR A 87 140.589 10.178 3.637 1.00 1.48 C ATOM 1287 CZ TYR A 87 139.900 11.295 3.216 1.00 0.98 C ATOM 1288 OH TYR A 87 140.212 12.529 3.738 1.00 1.18 O ATOM 0 H TYR A 87 138.507 4.969 2.279 1.00 0.34 H new ATOM 0 HA TYR A 87 137.218 7.552 2.886 1.00 0.39 H new ATOM 0 HB2 TYR A 87 139.738 6.754 1.798 1.00 0.47 H new ATOM 0 HB3 TYR A 87 138.843 7.528 0.505 1.00 0.47 H new ATOM 0 HD1 TYR A 87 137.801 9.858 1.018 1.00 1.38 H new ATOM 0 HD2 TYR A 87 140.815 8.068 3.441 1.00 1.38 H new ATOM 0 HE1 TYR A 87 138.361 12.059 1.947 1.00 1.49 H new ATOM 0 HE2 TYR A 87 141.372 10.269 4.375 1.00 1.48 H new ATOM 0 HH TYR A 87 140.938 12.435 4.389 1.00 1.18 H new ATOM 1298 N VAL A 88 135.717 7.692 0.885 1.00 0.39 N ATOM 1299 CA VAL A 88 134.675 7.657 -0.139 1.00 0.39 C ATOM 1300 C VAL A 88 134.466 9.032 -0.775 1.00 0.50 C ATOM 1301 O VAL A 88 134.966 10.040 -0.273 1.00 0.61 O ATOM 1302 CB VAL A 88 133.334 7.156 0.435 1.00 0.41 C ATOM 1303 CG1 VAL A 88 133.334 5.638 0.547 1.00 0.42 C ATOM 1304 CG2 VAL A 88 133.044 7.799 1.786 1.00 0.55 C ATOM 0 H VAL A 88 135.705 8.528 1.469 1.00 0.39 H new ATOM 0 HA VAL A 88 135.016 6.960 -0.904 1.00 0.39 H new ATOM 0 HB VAL A 88 132.540 7.449 -0.252 1.00 0.41 H new ATOM 0 HG11 VAL A 88 132.380 5.303 0.954 1.00 0.42 H new ATOM 0 HG12 VAL A 88 133.481 5.200 -0.440 1.00 0.42 H new ATOM 0 HG13 VAL A 88 134.141 5.322 1.208 1.00 0.42 H new ATOM 0 HG21 VAL A 88 132.093 7.429 2.169 1.00 0.55 H new ATOM 0 HG22 VAL A 88 133.840 7.547 2.487 1.00 0.55 H new ATOM 0 HG23 VAL A 88 132.992 8.882 1.670 1.00 0.55 H new ATOM 1314 N MET A 89 133.722 9.059 -1.881 1.00 0.67 N ATOM 1315 CA MET A 89 133.436 10.299 -2.600 1.00 0.81 C ATOM 1316 C MET A 89 131.932 10.563 -2.647 1.00 0.92 C ATOM 1317 O MET A 89 131.142 9.652 -2.909 1.00 1.16 O ATOM 1318 CB MET A 89 133.990 10.231 -4.027 1.00 1.09 C ATOM 1319 CG MET A 89 135.484 9.959 -4.099 1.00 1.26 C ATOM 1320 SD MET A 89 136.198 10.426 -5.689 1.00 1.36 S ATOM 1321 CE MET A 89 136.205 8.850 -6.538 1.00 1.92 C ATOM 0 H MET A 89 133.304 8.229 -2.300 1.00 0.67 H new ATOM 0 HA MET A 89 133.921 11.116 -2.066 1.00 0.81 H new ATOM 0 HB2 MET A 89 133.462 9.449 -4.574 1.00 1.09 H new ATOM 0 HB3 MET A 89 133.778 11.173 -4.533 1.00 1.09 H new ATOM 0 HG2 MET A 89 135.988 10.507 -3.303 1.00 1.26 H new ATOM 0 HG3 MET A 89 135.666 8.899 -3.920 1.00 1.26 H new ATOM 0 HE1 MET A 89 137.085 8.786 -7.178 1.00 1.92 H new ATOM 0 HE2 MET A 89 136.229 8.043 -5.806 1.00 1.92 H new ATOM 0 HE3 MET A 89 135.305 8.761 -7.147 1.00 1.92 H new ATOM 1331 N ARG A 90 131.542 11.812 -2.395 1.00 0.96 N ATOM 1332 CA ARG A 90 130.133 12.193 -2.411 1.00 1.18 C ATOM 1333 C ARG A 90 129.942 13.571 -3.042 1.00 1.31 C ATOM 1334 O ARG A 90 130.269 14.593 -2.435 1.00 1.44 O ATOM 1335 CB ARG A 90 129.563 12.179 -0.990 1.00 1.42 C ATOM 1336 CG ARG A 90 128.367 11.256 -0.826 1.00 1.68 C ATOM 1337 CD ARG A 90 127.745 11.384 0.555 1.00 2.13 C ATOM 1338 NE ARG A 90 126.375 10.871 0.588 1.00 2.52 N ATOM 1339 CZ ARG A 90 125.407 11.359 1.371 1.00 3.10 C ATOM 1340 NH1 ARG A 90 125.654 12.360 2.213 1.00 3.45 N ATOM 1341 NH2 ARG A 90 124.186 10.838 1.314 1.00 3.83 N ATOM 0 H ARG A 90 132.182 12.576 -2.178 1.00 0.96 H new ATOM 0 HA ARG A 90 129.594 11.465 -3.017 1.00 1.18 H new ATOM 0 HB2 ARG A 90 130.346 11.873 -0.296 1.00 1.42 H new ATOM 0 HB3 ARG A 90 129.271 13.192 -0.714 1.00 1.42 H new ATOM 0 HG2 ARG A 90 127.620 11.489 -1.585 1.00 1.68 H new ATOM 0 HG3 ARG A 90 128.678 10.224 -0.991 1.00 1.68 H new ATOM 0 HD2 ARG A 90 128.353 10.841 1.278 1.00 2.13 H new ATOM 0 HD3 ARG A 90 127.748 12.431 0.858 1.00 2.13 H new ATOM 0 HE ARG A 90 126.143 10.090 -0.026 1.00 2.52 H new ATOM 0 HH11 ARG A 90 126.590 12.763 2.266 1.00 3.45 H new ATOM 0 HH12 ARG A 90 124.908 12.724 2.805 1.00 3.45 H new ATOM 0 HH21 ARG A 90 123.989 10.068 0.674 1.00 3.83 H new ATOM 0 HH22 ARG A 90 123.445 11.208 1.910 1.00 3.83 H new ATOM 1355 N ARG A 91 129.405 13.589 -4.262 1.00 1.41 N ATOM 1356 CA ARG A 91 129.163 14.841 -4.980 1.00 1.59 C ATOM 1357 C ARG A 91 127.780 15.405 -4.655 1.00 1.82 C ATOM 1358 O ARG A 91 126.804 14.623 -4.645 1.00 2.13 O ATOM 1359 CB ARG A 91 129.308 14.641 -6.492 1.00 1.81 C ATOM 1360 CG ARG A 91 128.501 13.477 -7.040 1.00 2.19 C ATOM 1361 CD ARG A 91 129.400 12.415 -7.653 1.00 2.68 C ATOM 1362 NE ARG A 91 128.634 11.336 -8.277 1.00 3.11 N ATOM 1363 CZ ARG A 91 128.170 10.266 -7.623 1.00 3.64 C ATOM 1364 NH1 ARG A 91 128.382 10.125 -6.316 1.00 4.07 N ATOM 1365 NH2 ARG A 91 127.490 9.333 -8.281 1.00 4.11 N ATOM 1366 OXT ARG A 91 127.684 16.626 -4.410 1.00 2.30 O ATOM 0 H ARG A 91 129.129 12.751 -4.774 1.00 1.41 H new ATOM 0 HA ARG A 91 129.913 15.559 -4.650 1.00 1.59 H new ATOM 0 HB2 ARG A 91 129.000 15.555 -7.000 1.00 1.81 H new ATOM 0 HB3 ARG A 91 130.360 14.484 -6.728 1.00 1.81 H new ATOM 0 HG2 ARG A 91 127.908 13.035 -6.239 1.00 2.19 H new ATOM 0 HG3 ARG A 91 127.801 13.841 -7.792 1.00 2.19 H new ATOM 0 HD2 ARG A 91 130.048 12.876 -8.398 1.00 2.68 H new ATOM 0 HD3 ARG A 91 130.047 11.999 -6.881 1.00 2.68 H new ATOM 0 HE ARG A 91 128.441 11.404 -9.276 1.00 3.11 H new ATOM 0 HH11 ARG A 91 128.903 10.837 -5.804 1.00 4.07 H new ATOM 0 HH12 ARG A 91 128.024 9.305 -5.827 1.00 4.07 H new ATOM 0 HH21 ARG A 91 127.323 9.434 -9.282 1.00 4.11 H new ATOM 0 HH22 ARG A 91 127.135 8.516 -7.785 1.00 4.11 H new TER 1380 ARG A 91 END