data_UNNAMED
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.auth_atom_id 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.auth_comp_id 
_atom_site.label_comp_id 
_atom_site.pdbx_auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.label_asym_id 
_atom_site.auth_seq_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_PDB_model_num 
_atom_site.label_entity_id 
_atom_site.type_symbol 
_atom_site.pdbx_formal_charge 
ATOM   1   N   N   . ASP ASP ASP A A 1  1  . -10.757 8.721  -6.522  1.00 35.25 1 . N ? 
ATOM   2   CA  CA  . ASP ASP ASP A A 1  1  . -12.073 8.182  -6.184  1.00 34.97 1 . C ? 
ATOM   3   C   C   . ASP ASP ASP A A 1  1  . -13.113 9.292  -6.010  1.00 27.58 1 . C ? 
ATOM   4   O   O   . ASP ASP ASP A A 1  1  . -12.766 10.472 -5.980  1.00 28.70 1 . O ? 
ATOM   5   CB  CB  . ASP ASP ASP A A 1  1  . -11.976 7.333  -4.917  1.00 37.50 1 . C ? 
ATOM   6   CG  CG  . ASP ASP ASP A A 1  1  . -10.832 6.343  -4.975  1.00 43.27 1 . C ? 
ATOM   7   OD1 OD1 . ASP ASP ASP A A 1  1  . -10.502 5.723  -3.939  1.00 47.57 1 . O ? 
ATOM   8   OD2 OD2 . ASP ASP ASP A A 1  1  . -10.245 6.205  -6.071  1.00 49.73 1 . O ? 
ATOM   9   N   N   . THR THR THR A A 2  2  . -14.387 8.909  -5.906  1.00 23.45 1 . N ? 
ATOM   10  CA  CA  . THR THR THR A A 2  2  . -15.480 9.868  -5.751  1.00 29.49 1 . C ? 
ATOM   11  C   C   . THR THR THR A A 2  2  . -15.783 10.089 -4.269  1.00 24.31 1 . C ? 
ATOM   12  O   O   . THR THR THR A A 2  2  . -16.063 9.135  -3.541  1.00 25.44 1 . O ? 
ATOM   13  CB  CB  . THR THR THR A A 2  2  . -16.742 9.389  -6.470  1.00 30.31 1 . C ? 
ATOM   14  OG1 OG1 . THR THR THR A A 2  2  . -16.488 9.303  -7.871  1.00 28.73 1 . O ? 
ATOM   15  CG2 CG2 . THR THR THR A A 2  2  . -17.897 10.372 -6.239  1.00 26.38 1 . C ? 
ATOM   16  N   N   . TYR TYR TYR A A 3  3  . -15.722 11.346 -3.834  1.00 27.98 1 . N ? 
ATOM   17  CA  CA  . TYR TYR TYR A A 3  3  . -16.026 11.755 -2.468  1.00 22.27 1 . C ? 
ATOM   18  C   C   . TYR TYR TYR A A 3  3  . -17.315 12.568 -2.475  1.00 22.39 1 . C ? 
ATOM   19  O   O   . TYR TYR TYR A A 3  3  . -17.672 13.190 -3.482  1.00 22.60 1 . O ? 
ATOM   20  CB  CB  . TYR TYR TYR A A 3  3  . -14.885 12.581 -1.865  1.00 26.13 1 . C ? 
ATOM   21  CG  CG  . TYR TYR TYR A A 3  3  . -13.612 11.787 -1.662  1.00 28.73 1 . C ? 
ATOM   22  CD2 CD2 . TYR TYR TYR A A 3  3  . -13.262 11.305 -0.394  1.00 22.53 1 . C ? 
ATOM   23  CD1 CD1 . TYR TYR TYR A A 3  3  . -12.769 11.511 -2.725  1.00 24.97 1 . C ? 
ATOM   24  CE2 CE2 . TYR TYR TYR A A 3  3  . -12.104 10.577 -0.204  1.00 23.24 1 . C ? 
ATOM   25  CE1 CE1 . TYR TYR TYR A A 3  3  . -11.609 10.771 -2.550  1.00 26.98 1 . C ? 
ATOM   26  CZ  CZ  . TYR TYR TYR A A 3  3  . -11.285 10.303 -1.289  1.00 34.34 1 . C ? 
ATOM   27  OH  OH  . TYR TYR TYR A A 3  3  . -10.133 9.569  -1.103  1.00 35.32 1 . O ? 
ATOM   28  N   N   . LYS LYS LYS A A 4  4  . -18.031 12.528 -1.362  1.00 20.68 1 . N ? 
ATOM   29  CA  CA  . LYS LYS LYS A A 4  4  . -19.350 13.129 -1.261  1.00 19.82 1 . C ? 
ATOM   30  C   C   . LYS LYS LYS A A 4  4  . -19.386 14.073 -0.078  1.00 22.12 1 . C ? 
ATOM   31  O   O   . LYS LYS LYS A A 4  4  . -18.806 13.787 0.981   1.00 24.35 1 . O ? 
ATOM   32  CB  CB  . LYS LYS LYS A A 4  4  . -20.466 12.058 -1.107  1.00 20.67 1 . C ? 
ATOM   33  CG  CG  . LYS LYS LYS A A 4  4  . -21.884 12.645 -1.270  1.00 28.47 1 . C ? 
ATOM   34  CD  CD  . LYS LYS LYS A A 4  4  . -22.963 11.573 -1.323  1.00 31.45 1 . C ? 
ATOM   35  CE  CE  . LYS LYS LYS A A 4  4  . -22.986 10.766 -0.034  1.00 27.21 1 . C ? 
ATOM   36  NZ  NZ  . LYS LYS LYS A A 4  4  . -23.932 9.620  -0.128  1.00 39.03 1 . N ? 
ATOM   37  N   N   . LEU LEU LEU A A 5  5  . -20.102 15.180 -0.247  1.00 19.19 1 . N ? 
ATOM   38  CA  CA  . LEU LEU LEU A A 5  5  . -20.330 16.134 0.826   1.00 18.82 1 . C ? 
ATOM   39  C   C   . LEU LEU LEU A A 5  5  . -21.829 16.351 1.012   1.00 21.00 1 . C ? 
ATOM   40  O   O   . LEU LEU LEU A A 5  5  . -22.534 16.650 0.053   1.00 19.25 1 . O ? 
ATOM   41  CB  CB  . LEU LEU LEU A A 5  5  . -19.656 17.463 0.518   1.00 19.27 1 . C ? 
ATOM   42  CG  CG  . LEU LEU LEU A A 5  5  . -20.083 18.578 1.447   1.00 18.38 1 . C ? 
ATOM   43  CD1 CD1 . LEU LEU LEU A A 5  5  . -19.460 18.312 2.841   1.00 21.32 1 . C ? 
ATOM   44  CD2 CD2 . LEU LEU LEU A A 5  5  . -19.655 19.918 0.893   1.00 22.82 1 . C ? 
ATOM   45  N   N   . ILE ILE ILE A A 6  6  . -22.314 16.193 2.234   1.00 19.68 1 . N ? 
ATOM   46  CA  CA  . ILE ILE ILE A A 6  6  . -23.713 16.466 2.558   1.00 22.95 1 . C ? 
ATOM   47  C   C   . ILE ILE ILE A A 6  6  . -23.743 17.745 3.383   1.00 26.33 1 . C ? 
ATOM   48  O   O   . ILE ILE ILE A A 6  6  . -23.258 17.767 4.526   1.00 18.44 1 . O ? 
ATOM   49  CB  CB  . ILE ILE ILE A A 6  6  . -24.367 15.308 3.326   1.00 22.20 1 . C ? 
ATOM   50  CG1 CG1 . ILE ILE ILE A A 6  6  . -24.309 14.017 2.527   1.00 26.75 1 . C ? 
ATOM   51  CG2 CG2 . ILE ILE ILE A A 6  6  . -25.819 15.627 3.674   1.00 24.51 1 . C ? 
ATOM   52  CD1 CD1 . ILE ILE ILE A A 6  6  . -24.895 12.854 3.297   1.00 24.57 1 . C ? 
ATOM   53  N   N   . LEU LEU LEU A A 7  7  . -24.329 18.796 2.813   1.00 23.96 1 . N ? 
ATOM   54  CA  CA  . LEU LEU LEU A A 7  7  . -24.440 20.098 3.451   1.00 22.63 1 . C ? 
ATOM   55  C   C   . LEU LEU LEU A A 7  7  . -25.806 20.257 4.111   1.00 28.30 1 . C ? 
ATOM   56  O   O   . LEU LEU LEU A A 7  7  . -26.835 19.876 3.541   1.00 24.90 1 . O ? 
ATOM   57  CB  CB  . LEU LEU LEU A A 7  7  . -24.238 21.228 2.442   1.00 28.23 1 . C ? 
ATOM   58  CG  CG  . LEU LEU LEU A A 7  7  . -22.947 21.286 1.635   1.00 28.52 1 . C ? 
ATOM   59  CD1 CD1 . LEU LEU LEU A A 7  7  . -23.167 20.680 0.266   1.00 26.77 1 . C ? 
ATOM   60  CD2 CD2 . LEU LEU LEU A A 7  7  . -22.494 22.744 1.533   1.00 26.45 1 . C ? 
ATOM   61  N   N   . ASN ASN ASN A A 8  8  . -25.811 20.808 5.323   1.00 24.51 1 . N ? 
ATOM   62  CA  CA  . ASN ASN ASN A A 8  8  . -27.047 21.183 6.011   1.00 26.88 1 . C ? 
ATOM   63  C   C   . ASN ASN ASN A A 8  8  . -26.879 22.613 6.512   1.00 25.40 1 . C ? 
ATOM   64  O   O   . ASN ASN ASN A A 8  8  . -26.319 22.837 7.588   1.00 24.86 1 . O ? 
ATOM   65  CB  CB  . ASN ASN ASN A A 8  8  . -27.374 20.242 7.164   1.00 29.38 1 . C ? 
ATOM   66  CG  CG  . ASN ASN ASN A A 8  8  . -28.775 20.476 7.738   1.00 30.68 1 . C ? 
ATOM   67  OD1 OD1 . ASN ASN ASN A A 8  8  . -29.472 21.447 7.397   1.00 25.24 1 . O ? 
ATOM   68  ND2 ND2 . ASN ASN ASN A A 8  8  . -29.192 19.575 8.605   1.00 28.06 1 . N ? 
ATOM   69  N   N   . GLY GLY GLY A A 9  9  . -27.380 23.575 5.753   1.00 26.02 1 . N ? 
ATOM   70  CA  CA  . GLY GLY GLY A A 9  9  . -27.400 24.949 6.223   1.00 27.78 1 . C ? 
ATOM   71  C   C   . GLY GLY GLY A A 9  9  . -28.582 25.253 7.131   1.00 28.01 1 . C ? 
ATOM   72  O   O   . GLY GLY GLY A A 9  9  . -28.658 26.330 7.717   1.00 30.16 1 . O ? 
HETATM 73  N   N   . DVA DVA DVA A A 10 10 . -29.508 24.308 7.250   1.00 27.32 1 . N ? 
HETATM 74  CA  CA  . DVA DVA DVA A A 10 10 . -30.775 24.562 7.937   1.00 28.05 1 . C ? 
HETATM 75  CB  CB  . DVA DVA DVA A A 10 10 . -30.929 23.721 9.198   1.00 24.68 1 . C ? 
HETATM 76  CG2 CG2 . DVA DVA DVA A A 10 10 . -32.173 24.158 9.957   1.00 27.42 1 . C ? 
HETATM 77  CG1 CG1 . DVA DVA DVA A A 10 10 . -29.697 23.833 10.067  1.00 26.77 1 . C ? 
HETATM 78  C   C   . DVA DVA DVA A A 10 10 . -31.927 24.287 6.980   1.00 29.48 1 . C ? 
HETATM 79  O   O   . DVA DVA DVA A A 10 10 . -32.232 23.133 6.675   1.00 29.05 1 . O ? 
ATOM   80  N   N   . ALA ALA ALA A A 11 11 . -32.573 25.350 6.514   1.00 26.21 1 . N ? 
ATOM   81  CA  CA  . ALA ALA ALA A A 11 11 . -33.569 25.231 5.460   1.00 29.83 1 . C ? 
ATOM   82  C   C   . ALA ALA ALA A A 11 11 . -32.971 24.634 4.177   1.00 26.96 1 . C ? 
ATOM   83  O   O   . ALA ALA ALA A A 11 11 . -33.590 23.790 3.541   1.00 26.81 1 . O ? 
ATOM   84  CB  CB  . ALA ALA ALA A A 11 11 . -34.194 26.592 5.162   1.00 30.47 1 . C ? 
ATOM   85  N   N   . LEU LEU LEU A A 12 12 . -31.771 25.060 3.793   1.00 26.31 1 . N ? 
ATOM   86  CA  CA  . LEU LEU LEU A A 12 12 . -31.180 24.600 2.540   1.00 28.13 1 . C ? 
ATOM   87  C   C   . LEU LEU LEU A A 12 12 . -30.275 23.407 2.819   1.00 27.75 1 . C ? 
ATOM   88  O   O   . LEU LEU LEU A A 12 12 . -29.387 23.485 3.679   1.00 28.33 1 . O ? 
ATOM   89  CB  CB  . LEU LEU LEU A A 12 12 . -30.407 25.728 1.852   1.00 27.62 1 . C ? 
ATOM   90  CG  CG  . LEU LEU LEU A A 12 12 . -31.239 26.970 1.517   1.00 29.64 1 . C ? 
ATOM   91  CD1 CD1 . LEU LEU LEU A A 12 12 . -30.381 28.014 0.832   1.00 40.81 1 . C ? 
ATOM   92  CD2 CD2 . LEU LEU LEU A A 12 12 . -32.455 26.610 0.647   1.00 34.47 1 . C ? 
ATOM   93  N   N   . LYS LYS LYS A A 13 13 . -30.522 22.304 2.108   1.00 25.84 1 . N ? 
ATOM   94  CA  CA  . LYS LYS LYS A A 13 13 . -29.718 21.092 2.185   1.00 25.20 1 . C ? 
ATOM   95  C   C   . LYS LYS LYS A A 13 13 . -29.348 20.666 0.776   1.00 26.93 1 . C ? 
ATOM   96  O   O   . LYS LYS LYS A A 13 13 . -30.107 20.881 -0.172  1.00 28.27 1 . O ? 
ATOM   97  CB  CB  . LYS LYS LYS A A 13 13 . -30.462 19.925 2.870   1.00 29.38 1 . C ? 
ATOM   98  CG  CG  . LYS LYS LYS A A 13 13 . -31.063 20.241 4.243   1.00 26.68 1 . C ? 
ATOM   99  CD  CD  . LYS LYS LYS A A 13 13 . -31.754 18.999 4.810   1.00 34.38 1 . C ? 
ATOM   100 CE  CE  . LYS LYS LYS A A 13 13 . -32.541 19.301 6.086   1.00 36.58 1 . C ? 
ATOM   101 NZ  NZ  . LYS LYS LYS A A 13 13 . -31.808 20.218 6.981   1.00 21.85 1 . N ? 
ATOM   102 N   N   . GLY GLY GLY A A 14 14 . -28.179 20.051 0.646   1.00 23.76 1 . N ? 
ATOM   103 CA  CA  . GLY GLY GLY A A 14 14 . -27.766 19.559 -0.652  1.00 24.91 1 . C ? 
ATOM   104 C   C   . GLY GLY GLY A A 14 14 . -26.644 18.560 -0.525  1.00 27.18 1 . C ? 
ATOM   105 O   O   . GLY GLY GLY A A 14 14 . -26.115 18.306 0.564   1.00 22.63 1 . O ? 
ATOM   106 N   N   . GLU GLU GLU A A 15 15 . -26.285 17.987 -1.673  1.00 23.62 1 . N ? 
ATOM   107 CA  CA  . GLU GLU GLU A A 15 15 . -25.184 17.049 -1.780  1.00 19.79 1 . C ? 
ATOM   108 C   C   . GLU GLU GLU A A 15 15 . -24.372 17.379 -3.020  1.00 26.68 1 . C ? 
ATOM   109 O   O   . GLU GLU GLU A A 15 15 . -24.937 17.580 -4.102  1.00 24.76 1 . O ? 
ATOM   110 CB  CB  . GLU GLU GLU A A 15 15 . -25.688 15.612 -1.857  1.00 22.96 1 . C ? 
ATOM   111 CG  CG  . GLU GLU GLU A A 15 15 . -26.740 15.268 -0.839  1.00 26.68 1 . C ? 
ATOM   112 CD  CD  . GLU GLU GLU A A 15 15 . -26.767 13.793 -0.534  1.00 31.02 1 . C ? 
ATOM   113 OE1 OE1 . GLU GLU GLU A A 15 15 . -26.016 13.028 -1.189  1.00 31.23 1 . O ? 
ATOM   114 OE2 OE2 . GLU GLU GLU A A 15 15 . -27.515 13.405 0.385   1.00 41.75 1 . O ? 
ATOM   115 N   N   . THR THR THR A A 16 16 . -23.055 17.446 -2.861  1.00 23.05 1 . N ? 
ATOM   116 CA  CA  . THR THR THR A A 16 16 . -22.165 17.594 -3.998  1.00 23.98 1 . C ? 
ATOM   117 C   C   . THR THR THR A A 16 16 . -21.165 16.450 -3.963  1.00 23.14 1 . C ? 
ATOM   118 O   O   . THR THR THR A A 16 16 . -21.078 15.695 -2.986  1.00 19.51 1 . O ? 
ATOM   119 CB  CB  . THR THR THR A A 16 16 . -21.462 18.963 -3.990  1.00 29.87 1 . C ? 
ATOM   120 OG1 OG1 . THR THR THR A A 16 16 . -20.762 19.157 -5.233  1.00 28.60 1 . O ? 
ATOM   121 CG2 CG2 . THR THR THR A A 16 16 . -20.491 19.074 -2.822  1.00 25.42 1 . C ? 
ATOM   122 N   N   . THR THR THR A A 17 17 . -20.446 16.285 -5.062  1.00 23.49 1 . N ? 
ATOM   123 CA  CA  . THR THR THR A A 17 17 . -19.375 15.305 -5.133  1.00 21.85 1 . C ? 
ATOM   124 C   C   . THR THR THR A A 17 17 . -18.107 15.987 -5.622  1.00 24.69 1 . C ? 
ATOM   125 O   O   . THR THR THR A A 17 17 . -18.126 17.129 -6.095  1.00 24.26 1 . O ? 
ATOM   126 CB  CB  . THR THR THR A A 17 17 . -19.724 14.137 -6.055  1.00 22.04 1 . C ? 
ATOM   127 OG1 OG1 . THR THR THR A A 17 17 . -20.115 14.640 -7.350  1.00 18.67 1 . O ? 
ATOM   128 CG2 CG2 . THR THR THR A A 17 17 . -20.854 13.336 -5.439  1.00 21.51 1 . C ? 
ATOM   129 N   N   . THR THR THR A A 18 18 . -16.992 15.279 -5.485  1.00 19.21 1 . N ? 
ATOM   130 CA  CA  . THR THR THR A A 18 18 . -15.754 15.736 -6.082  1.00 22.58 1 . C ? 
ATOM   131 C   C   . THR THR THR A A 18 18 . -14.894 14.512 -6.323  1.00 31.02 1 . C ? 
ATOM   132 O   O   . THR THR THR A A 18 18 . -14.950 13.541 -5.561  1.00 26.36 1 . O ? 
ATOM   133 CB  CB  . THR THR THR A A 18 18 . -15.023 16.785 -5.223  1.00 30.46 1 . C ? 
ATOM   134 OG1 OG1 . THR THR THR A A 18 18 . -14.164 17.568 -6.063  1.00 30.40 1 . O ? 
ATOM   135 CG2 CG2 . THR THR THR A A 18 18 . -14.173 16.129 -4.166  1.00 22.46 1 . C ? 
ATOM   136 N   N   . GLU GLU GLU A A 19 19 . -14.169 14.545 -7.437  1.00 23.13 1 . N ? 
ATOM   137 CA  CA  . GLU GLU GLU A A 19 19 . -13.207 13.522 -7.791  1.00 24.77 1 . C ? 
ATOM   138 C   C   . GLU GLU GLU A A 19 19 . -11.868 13.981 -7.252  1.00 30.86 1 . C ? 
ATOM   139 O   O   . GLU GLU GLU A A 19 19 . -11.388 15.049 -7.641  1.00 27.24 1 . O ? 
ATOM   140 CB  CB  . GLU GLU GLU A A 19 19 . -13.151 13.393 -9.312  1.00 41.62 1 . C ? 
ATOM   141 CG  CG  . GLU GLU GLU A A 19 19 . -12.537 12.144 -9.823  1.00 36.46 1 . C ? 
ATOM   142 CD  CD  . GLU GLU GLU A A 19 19 . -13.595 11.146 -10.163 1.00 45.50 1 . C ? 
ATOM   143 OE1 OE1 . GLU GLU GLU A A 19 19 . -14.343 10.773 -9.230  1.00 39.44 1 . O ? 
ATOM   144 OE2 OE2 . GLU GLU GLU A A 19 19 . -13.690 10.764 -11.356 1.00 41.12 1 . O ? 
ATOM   145 N   N   . ALA ALA ALA A A 20 20 . -11.292 13.228 -6.322  1.00 34.66 1 . N ? 
ATOM   146 CA  CA  . ALA ALA ALA A A 20 20 . -10.058 13.677 -5.698  1.00 32.02 1 . C ? 
ATOM   147 C   C   . ALA ALA ALA A A 20 20 . -9.127  12.499 -5.494  1.00 31.20 1 . C ? 
ATOM   148 O   O   . ALA ALA ALA A A 20 20 . -9.545  11.337 -5.471  1.00 29.83 1 . O ? 
ATOM   149 CB  CB  . ALA ALA ALA A A 20 20 . -10.302 14.381 -4.362  1.00 25.12 1 . C ? 
ATOM   150 N   N   . VAL VAL VAL A A 21 21 . -7.848  12.836 -5.329  1.00 34.66 1 . N ? 
ATOM   151 CA  CA  . VAL VAL VAL A A 21 21 . -6.795  11.836 -5.224  1.00 35.67 1 . C ? 
ATOM   152 C   C   . VAL VAL VAL A A 21 21 . -6.740  11.227 -3.819  1.00 40.19 1 . C ? 
ATOM   153 O   O   . VAL VAL VAL A A 21 21 . -6.368  10.055 -3.657  1.00 36.28 1 . O ? 
ATOM   154 CB  CB  . VAL VAL VAL A A 21 21 . -5.459  12.482 -5.627  1.00 37.62 1 . C ? 
ATOM   155 CG1 CG1 . VAL VAL VAL A A 21 21 . -5.477  12.845 -7.107  1.00 34.82 1 . C ? 
ATOM   156 CG2 CG2 . VAL VAL VAL A A 21 21 . -5.217  13.738 -4.799  1.00 34.07 1 . C ? 
ATOM   157 N   N   . ASP ASP ASP A A 22 22 . -7.112  11.987 -2.791  1.00 33.58 1 . N ? 
ATOM   158 CA  CA  . ASP ASP ASP A A 22 22 . -7.184  11.452 -1.438  1.00 33.79 1 . C ? 
ATOM   159 C   C   . ASP ASP ASP A A 22 22 . -8.223  12.241 -0.655  1.00 30.86 1 . C ? 
ATOM   160 O   O   . ASP ASP ASP A A 22 22 . -8.792  13.224 -1.145  1.00 30.56 1 . O ? 
ATOM   161 CB  CB  . ASP ASP ASP A A 22 22 . -5.816  11.474 -0.747  1.00 30.46 1 . C ? 
ATOM   162 CG  CG  . ASP ASP ASP A A 22 22 . -5.157  12.833 -0.788  1.00 34.27 1 . C ? 
ATOM   163 OD1 OD1 . ASP ASP ASP A A 22 22 . -5.882  13.847 -0.754  1.00 34.15 1 . O ? 
ATOM   164 OD2 OD2 . ASP ASP ASP A A 22 22 . -3.905  12.893 -0.849  1.00 38.57 1 . O ? 
ATOM   165 N   N   . ALA ALA ALA A A 23 23 . -8.466  11.800 0.586   1.00 32.99 1 . N ? 
ATOM   166 CA  CA  . ALA ALA ALA A A 23 23 . -9.503  12.429 1.398   1.00 27.53 1 . C ? 
ATOM   167 C   C   . ALA ALA ALA A A 23 23 . -9.138  13.860 1.757   1.00 25.80 1 . C ? 
ATOM   168 O   O   . ALA ALA ALA A A 23 23 . -10.016 14.731 1.812   1.00 22.86 1 . O ? 
ATOM   169 CB  CB  . ALA ALA ALA A A 23 23 . -9.763  11.609 2.661   1.00 22.94 1 . C ? 
ATOM   170 N   N   . ALA ALA ALA A A 24 24 . -7.852  14.125 2.022   1.00 20.35 1 . N ? 
ATOM   171 CA  CA  . ALA ALA ALA A A 24 24 . -7.442  15.487 2.346   1.00 20.00 1 . C ? 
ATOM   172 C   C   . ALA ALA ALA A A 24 24 . -7.692  16.446 1.179   1.00 23.34 1 . C ? 
ATOM   173 O   O   . ALA ALA ALA A A 24 24 . -8.074  17.603 1.384   1.00 29.79 1 . O ? 
ATOM   174 CB  CB  . ALA ALA ALA A A 24 24 . -5.969  15.508 2.752   1.00 25.45 1 . C ? 
ATOM   175 N   N   . THR THR THR A A 25 25 . -7.483  15.990 -0.052  1.00 25.95 1 . N ? 
ATOM   176 CA  CA  . THR THR THR A A 25 25 . -7.682  16.893 -1.185  1.00 26.55 1 . C ? 
ATOM   177 C   C   . THR THR THR A A 25 25 . -9.168  17.145 -1.433  1.00 28.10 1 . C ? 
ATOM   178 O   O   . THR THR THR A A 25 25 . -9.578  18.289 -1.668  1.00 23.22 1 . O ? 
ATOM   179 CB  CB  . THR THR THR A A 25 25 . -6.978  16.326 -2.407  1.00 35.68 1 . C ? 
ATOM   180 OG1 OG1 . THR THR THR A A 25 25 . -5.587  16.179 -2.088  1.00 36.43 1 . O ? 
ATOM   181 CG2 CG2 . THR THR THR A A 25 25 . -7.123  17.258 -3.609  1.00 40.28 1 . C ? 
ATOM   182 N   N   . ALA ALA ALA A A 26 26 . -10.004 16.112 -1.310  1.00 27.20 1 . N ? 
ATOM   183 CA  CA  . ALA ALA ALA A A 26 26 . -11.444 16.354 -1.364  1.00 23.50 1 . C ? 
ATOM   184 C   C   . ALA ALA ALA A A 26 26 . -11.882 17.299 -0.256  1.00 24.93 1 . C ? 
ATOM   185 O   O   . ALA ALA ALA A A 26 26 . -12.687 18.209 -0.489  1.00 25.88 1 . O ? 
ATOM   186 CB  CB  . ALA ALA ALA A A 26 26 . -12.208 15.028 -1.284  1.00 25.77 1 . C ? 
ATOM   187 N   N   . GLU GLU GLU A A 27 27 . -11.353 17.112 0.963   1.00 27.92 1 . N ? 
ATOM   188 CA  CA  . GLU GLU GLU A A 27 27 . -11.748 17.948 2.089   1.00 23.57 1 . C ? 
ATOM   189 C   C   . GLU GLU GLU A A 27 27 . -11.514 19.423 1.798   1.00 28.04 1 . C ? 
ATOM   190 O   O   . GLU GLU GLU A A 27 27 . -12.368 20.268 2.101   1.00 25.09 1 . O ? 
ATOM   191 CB  CB  . GLU GLU GLU A A 27 27 . -10.980 17.550 3.361   1.00 22.66 1 . C ? 
ATOM   192 CG  CG  . GLU GLU GLU A A 27 27 . -11.434 18.319 4.570   1.00 27.61 1 . C ? 
ATOM   193 CD  CD  . GLU GLU GLU A A 27 27 . -10.670 17.982 5.860   1.00 28.68 1 . C ? 
ATOM   194 OE1 OE1 . GLU GLU GLU A A 27 27 . -9.445  17.738 5.825   1.00 26.85 1 . O ? 
ATOM   195 OE2 OE2 . GLU GLU GLU A A 27 27 . -11.318 17.953 6.920   1.00 30.36 1 . O ? 
ATOM   196 N   N   . LYS LYS LYS A A 28 28 . -10.340 19.755 1.259   1.00 22.66 1 . N ? 
ATOM   197 CA  CA  . LYS LYS LYS A A 28 28 . -10.057 21.151 0.940   1.00 27.77 1 . C ? 
ATOM   198 C   C   . LYS LYS LYS A A 28 28 . -11.072 21.703 -0.045  1.00 24.26 1 . C ? 
ATOM   199 O   O   . LYS LYS LYS A A 28 28 . -11.609 22.798 0.155   1.00 24.34 1 . O ? 
ATOM   200 CB  CB  . LYS LYS LYS A A 28 28 . -8.633  21.297 0.399   1.00 28.92 1 . C ? 
ATOM   201 CG  CG  . LYS LYS LYS A A 28 28 . -7.556  20.863 1.410   1.00 37.75 1 . C ? 
ATOM   202 CD  CD  . LYS LYS LYS A A 28 28 . -7.988  21.128 2.872   1.00 41.40 1 . C ? 
ATOM   203 CE  CE  . LYS LYS LYS A A 28 28 . -7.218  20.248 3.842   1.00 39.67 1 . C ? 
ATOM   204 NZ  NZ  . LYS LYS LYS A A 28 28 . -7.844  18.912 3.945   1.00 28.97 1 . N ? 
ATOM   205 N   N   . VAL VAL VAL A A 29 29 . -11.346 20.964 -1.131  1.00 28.35 1 . N ? 
ATOM   206 CA  CA  . VAL VAL VAL A A 29 29 . -12.341 21.402 -2.110  1.00 27.67 1 . C ? 
ATOM   207 C   C   . VAL VAL VAL A A 29 29 . -13.685 21.626 -1.435  1.00 28.89 1 . C ? 
ATOM   208 O   O   . VAL VAL VAL A A 29 29 . -14.345 22.656 -1.634  1.00 24.35 1 . O ? 
ATOM   209 CB  CB  . VAL VAL VAL A A 29 29 . -12.466 20.376 -3.252  1.00 24.45 1 . C ? 
ATOM   210 CG1 CG1 . VAL VAL VAL A A 29 29 . -13.539 20.810 -4.251  1.00 32.05 1 . C ? 
ATOM   211 CG2 CG2 . VAL VAL VAL A A 29 29 . -11.119 20.157 -3.952  1.00 29.58 1 . C ? 
ATOM   212 N   N   . PHE PHE PHE A A 30 30 . -14.104 20.663 -0.597  1.00 25.42 1 . N ? 
ATOM   213 CA  CA  . PHE PHE PHE A A 30 30 . -15.403 20.762 0.060   1.00 27.81 1 . C ? 
ATOM   214 C   C   . PHE PHE PHE A A 30 30 . -15.452 21.910 1.058   1.00 26.15 1 . C ? 
ATOM   215 O   O   . PHE PHE PHE A A 30 30 . -16.509 22.526 1.249   1.00 25.60 1 . O ? 
ATOM   216 CB  CB  . PHE PHE PHE A A 30 30 . -15.737 19.441 0.755   1.00 22.56 1 . C ? 
ATOM   217 CG  CG  . PHE PHE PHE A A 30 30 . -16.147 18.341 -0.192  1.00 22.61 1 . C ? 
ATOM   218 CD2 CD2 . PHE PHE PHE A A 30 30 . -16.023 17.010 0.180   1.00 23.01 1 . C ? 
ATOM   219 CD1 CD1 . PHE PHE PHE A A 30 30 . -16.638 18.638 -1.459  1.00 23.47 1 . C ? 
ATOM   220 CE2 CE2 . PHE PHE PHE A A 30 30 . -16.397 15.995 -0.675  1.00 19.24 1 . C ? 
ATOM   221 CE1 CE1 . PHE PHE PHE A A 30 30 . -17.017 17.635 -2.326  1.00 19.52 1 . C ? 
ATOM   222 CZ  CZ  . PHE PHE PHE A A 30 30 . -16.892 16.309 -1.942  1.00 19.99 1 . C ? 
ATOM   223 N   N   . LYS LYS LYS A A 31 31 . -14.338 22.200 1.728   1.00 27.62 1 . N ? 
ATOM   224 CA  CA  . LYS LYS LYS A A 31 31 . -14.373 23.272 2.716   1.00 29.23 1 . C ? 
ATOM   225 C   C   . LYS LYS LYS A A 31 31 . -14.611 24.608 2.037   1.00 32.13 1 . C ? 
ATOM   226 O   O   . LYS LYS LYS A A 31 31 . -15.402 25.426 2.522   1.00 30.40 1 . O ? 
ATOM   227 CB  CB  . LYS LYS LYS A A 31 31 . -13.085 23.292 3.541   1.00 28.40 1 . C ? 
ATOM   228 CG  CG  . LYS LYS LYS A A 31 31 . -13.036 22.270 4.671   1.00 35.19 1 . C ? 
ATOM   229 CD  CD  . LYS LYS LYS A A 31 31 . -12.646 22.912 6.013   1.00 40.11 1 . C ? 
ATOM   230 CE  CE  . LYS LYS LYS A A 31 31 . -12.359 21.865 7.099   1.00 43.88 1 . C ? 
ATOM   231 NZ  NZ  . LYS LYS LYS A A 31 31 . -13.514 20.941 7.371   1.00 39.58 1 . N ? 
ATOM   232 N   N   . GLN GLN GLN A A 32 32 . -13.983 24.823 0.877   1.00 33.39 1 . N ? 
ATOM   233 CA  CA  . GLN GLN GLN A A 32 32 . -14.216 26.064 0.156   1.00 30.40 1 . C ? 
ATOM   234 C   C   . GLN GLN GLN A A 32 32 . -15.573 26.069 -0.538  1.00 37.91 1 . C ? 
ATOM   235 O   O   . GLN GLN GLN A A 32 32 . -16.196 27.131 -0.653  1.00 35.34 1 . O ? 
ATOM   236 CB  CB  . GLN GLN GLN A A 32 32 . -13.096 26.309 -0.851  1.00 41.47 1 . C ? 
ATOM   237 CG  CG  . GLN GLN GLN A A 32 32 . -13.075 27.745 -1.346  1.00 43.41 1 . C ? 
ATOM   238 CD  CD  . GLN GLN GLN A A 32 32 . -12.990 28.719 -0.183  1.00 48.42 1 . C ? 
ATOM   239 OE1 OE1 . GLN GLN GLN A A 32 32 . -12.270 28.477 0.794   1.00 50.07 1 . O ? 
ATOM   240 NE2 NE2 . GLN GLN GLN A A 32 32 . -13.744 29.808 -0.266  1.00 42.59 1 . N ? 
ATOM   241 N   N   . TYR TYR TYR A A 33 33 . -16.053 24.909 -0.994  1.00 30.21 1 . N ? 
ATOM   242 CA  CA  . TYR TYR TYR A A 33 33 . -17.424 24.836 -1.494  1.00 34.51 1 . C ? 
ATOM   243 C   C   . TYR TYR TYR A A 33 33 . -18.413 25.274 -0.428  1.00 33.90 1 . C ? 
ATOM   244 O   O   . TYR TYR TYR A A 33 33 . -19.264 26.144 -0.666  1.00 35.13 1 . O ? 
ATOM   245 CB  CB  . TYR TYR TYR A A 33 33 . -17.756 23.419 -1.959  1.00 32.44 1 . C ? 
ATOM   246 CG  CG  . TYR TYR TYR A A 33 33 . -19.120 23.331 -2.602  1.00 40.32 1 . C ? 
ATOM   247 CD2 CD2 . TYR TYR TYR A A 33 33 . -19.269 23.521 -3.968  1.00 41.12 1 . C ? 
ATOM   248 CD1 CD1 . TYR TYR TYR A A 33 33 . -20.263 23.096 -1.843  1.00 36.86 1 . C ? 
ATOM   249 CE2 CE2 . TYR TYR TYR A A 33 33 . -20.510 23.460 -4.569  1.00 41.99 1 . C ? 
ATOM   250 CE1 CE1 . TYR TYR TYR A A 33 33 . -21.514 23.039 -2.434  1.00 40.75 1 . C ? 
ATOM   251 CZ  CZ  . TYR TYR TYR A A 33 33 . -21.627 23.221 -3.803  1.00 43.40 1 . C ? 
ATOM   252 OH  OH  . TYR TYR TYR A A 33 33 . -22.857 23.161 -4.422  1.00 48.17 1 . O ? 
ATOM   253 N   N   . ALA ALA ALA A A 34 34 . -18.333 24.672 0.762   1.00 33.18 1 . N ? 
ATOM   254 CA  CA  . ALA ALA ALA A A 34 34 . -19.251 25.008 1.839   1.00 30.94 1 . C ? 
ATOM   255 C   C   . ALA ALA ALA A A 34 34 . -19.215 26.505 2.147   1.00 35.95 1 . C ? 
ATOM   256 O   O   . ALA ALA ALA A A 34 34 . -20.257 27.160 2.223   1.00 34.50 1 . O ? 
ATOM   257 CB  CB  . ALA ALA ALA A A 34 34 . -18.917 24.182 3.079   1.00 30.31 1 . C ? 
ATOM   258 N   N   . ASN ASN ASN A A 35 35 . -18.011 27.062 2.295   1.00 35.30 1 . N ? 
ATOM   259 CA  CA  . ASN ASN ASN A A 35 35 . -17.915 28.482 2.635   1.00 44.74 1 . C ? 
ATOM   260 C   C   . ASN ASN ASN A A 35 35 . -18.511 29.359 1.538   1.00 41.03 1 . C ? 
ATOM   261 O   O   . ASN ASN ASN A A 35 35 . -19.217 30.333 1.831   1.00 46.32 1 . O ? 
ATOM   262 CB  CB  . ASN ASN ASN A A 35 35 . -16.457 28.857 2.911   1.00 47.99 1 . C ? 
ATOM   263 CG  CG  . ASN ASN ASN A A 35 35 . -16.324 30.188 3.628   1.00 54.61 1 . C ? 
ATOM   264 OD1 OD1 . ASN ASN ASN A A 35 35 . -17.280 30.684 4.227   1.00 61.86 1 . O ? 
ATOM   265 ND2 ND2 . ASN ASN ASN A A 35 35 . -15.133 30.771 3.574   1.00 54.59 1 . N ? 
ATOM   266 N   N   . ASP ASP ASP A A 36 36 . -18.273 29.018 0.268   1.00 40.47 1 . N ? 
ATOM   267 CA  CA  . ASP ASP ASP A A 36 36 . -18.822 29.816 -0.826  1.00 41.23 1 . C ? 
ATOM   268 C   C   . ASP ASP ASP A A 36 36 . -20.343 29.777 -0.871  1.00 44.49 1 . C ? 
ATOM   269 O   O   . ASP ASP ASP A A 36 36 . -20.955 30.643 -1.501  1.00 39.25 1 . O ? 
ATOM   270 CB  CB  . ASP ASP ASP A A 36 36 . -18.268 29.343 -2.171  1.00 43.13 1 . C ? 
ATOM   271 CG  CG  . ASP ASP ASP A A 36 36 . -16.800 29.663 -2.339  1.00 46.87 1 . C ? 
ATOM   272 OD2 OD2 . ASP ASP ASP A A 36 36 . -16.125 28.977 -3.136  1.00 46.58 1 . O ? 
ATOM   273 OD1 OD1 . ASP ASP ASP A A 36 36 . -16.320 30.596 -1.661  1.00 55.00 1 . O ? 
ATOM   274 N   N   . ASN ASN ASN A A 37 37 . -20.968 28.798 -0.217  1.00 43.94 1 . N ? 
ATOM   275 CA  CA  . ASN ASN ASN A A 37 37 . -22.418 28.664 -0.224  1.00 40.79 1 . C ? 
ATOM   276 C   C   . ASN ASN ASN A A 37 37 . -23.028 28.861 1.158   1.00 43.89 1 . C ? 
ATOM   277 O   O   . ASN ASN ASN A A 37 37 . -24.099 28.321 1.449   1.00 49.39 1 . O ? 
ATOM   278 CB  CB  . ASN ASN ASN A A 37 37 . -22.823 27.313 -0.797  1.00 40.46 1 . C ? 
ATOM   279 CG  CG  . ASN ASN ASN A A 37 37 . -22.591 27.239 -2.270  1.00 44.59 1 . C ? 
ATOM   280 OD1 OD1 . ASN ASN ASN A A 37 37 . -23.435 27.660 -3.063  1.00 39.09 1 . O ? 
ATOM   281 ND2 ND2 . ASN ASN ASN A A 37 37 . -21.437 26.710 -2.658  1.00 42.24 1 . N ? 
ATOM   282 N   N   . GLY GLY GLY A A 38 38 . -22.360 29.628 2.017   1.00 39.79 1 . N ? 
ATOM   283 CA  CA  . GLY GLY GLY A A 38 38 . -22.986 30.083 3.230   1.00 43.68 1 . C ? 
ATOM   284 C   C   . GLY GLY GLY A A 38 38 . -23.192 29.041 4.301   1.00 47.57 1 . C ? 
ATOM   285 O   O   . GLY GLY GLY A A 38 38 . -23.822 29.349 5.320   1.00 50.00 1 . O ? 
ATOM   286 N   N   . VAL VAL VAL A A 39 39 . -22.685 27.826 4.125   1.00 45.27 1 . N ? 
ATOM   287 CA  CA  . VAL VAL VAL A A 39 39 . -22.746 26.806 5.166   1.00 39.28 1 . C ? 
ATOM   288 C   C   . VAL VAL VAL A A 39 39 . -21.405 26.780 5.883   1.00 40.86 1 . C ? 
ATOM   289 O   O   . VAL VAL VAL A A 39 39 . -20.381 26.436 5.284   1.00 40.65 1 . O ? 
ATOM   290 CB  CB  . VAL VAL VAL A A 39 39 . -23.080 25.423 4.590   1.00 38.92 1 . C ? 
ATOM   291 CG1 CG1 . VAL VAL VAL A A 39 39 . -23.319 24.432 5.723   1.00 33.19 1 . C ? 
ATOM   292 CG2 CG2 . VAL VAL VAL A A 39 39 . -24.281 25.499 3.654   1.00 39.76 1 . C ? 
ATOM   293 N   N   . ASP ASP ASP A A 40 40 . -21.409 27.129 7.167   1.00 44.06 1 . N ? 
ATOM   294 CA  CA  . ASP ASP ASP A A 40 40 . -20.207 27.072 7.985   1.00 45.84 1 . C ? 
ATOM   295 C   C   . ASP ASP ASP A A 40 40 . -20.547 26.412 9.308   1.00 40.51 1 . C ? 
ATOM   296 O   O   . ASP ASP ASP A A 40 40 . -21.578 26.725 9.910   1.00 38.22 1 . O ? 
ATOM   297 CB  CB  . ASP ASP ASP A A 40 40 . -19.624 28.471 8.235   1.00 48.95 1 . C ? 
ATOM   298 CG  CG  . ASP ASP ASP A A 40 40 . -19.366 29.230 6.942   1.00 55.67 1 . C ? 
ATOM   299 OD2 OD2 . ASP ASP ASP A A 40 40 . -18.276 29.053 6.342   1.00 53.13 1 . O ? 
ATOM   300 OD1 OD1 . ASP ASP ASP A A 40 40 . -20.264 29.987 6.517   1.00 59.33 1 . O ? 
ATOM   301 N   N   . GLY GLY GLY A A 41 41 . -19.688 25.494 9.750   1.00 37.28 1 . N ? 
ATOM   302 CA  CA  . GLY GLY GLY A A 41 41 . -19.902 24.908 11.062  1.00 35.62 1 . C ? 
ATOM   303 C   C   . GLY GLY GLY A A 41 41 . -19.232 23.577 11.297  1.00 32.42 1 . C ? 
ATOM   304 O   O   . GLY GLY GLY A A 41 41 . -18.015 23.452 11.164  1.00 28.59 1 . O ? 
ATOM   305 N   N   . GLU GLU GLU A A 42 42 . -20.040 22.567 11.600  1.00 32.73 1 . N ? 
ATOM   306 CA  CA  . GLU GLU GLU A A 42 42 . -19.592 21.314 12.200  1.00 35.34 1 . C ? 
ATOM   307 C   C   . GLU GLU GLU A A 42 42 . -19.368 20.240 11.133  1.00 26.31 1 . C ? 
ATOM   308 O   O   . GLU GLU GLU A A 42 42 . -20.300 19.907 10.394  1.00 23.17 1 . O ? 
ATOM   309 CB  CB  . GLU GLU GLU A A 42 42 . -20.648 20.860 13.204  1.00 34.08 1 . C ? 
ATOM   310 CG  CG  . GLU GLU GLU A A 42 42 . -20.615 19.417 13.609  1.00 37.60 1 . C ? 
ATOM   311 CD  CD  . GLU GLU GLU A A 42 42 . -21.070 19.222 15.051  1.00 42.04 1 . C ? 
ATOM   312 OE1 OE1 . GLU GLU GLU A A 42 42 . -21.944 19.978 15.528  1.00 47.54 1 . O ? 
ATOM   313 OE2 OE2 . GLU GLU GLU A A 42 42 . -20.597 18.274 15.688  1.00 46.66 1 . O ? 
ATOM   314 N   N   . TRP TRP TRP A A 43 43 . -18.152 19.676 11.085  1.00 24.72 1 . N ? 
ATOM   315 CA  CA  . TRP TRP TRP A A 43 43 . -17.738 18.723 10.057  1.00 26.06 1 . C ? 
ATOM   316 C   C   . TRP TRP TRP A A 43 43 . -17.652 17.298 10.599  1.00 22.56 1 . C ? 
ATOM   317 O   O   . TRP TRP TRP A A 43 43 . -17.324 17.070 11.767  1.00 26.81 1 . O ? 
ATOM   318 CB  CB  . TRP TRP TRP A A 43 43 . -16.374 19.103 9.450   1.00 23.43 1 . C ? 
ATOM   319 CG  CG  . TRP TRP TRP A A 43 43 . -16.438 20.298 8.552   1.00 27.45 1 . C ? 
ATOM   320 CD1 CD1 . TRP TRP TRP A A 43 43 . -16.459 21.603 8.934   1.00 26.38 1 . C ? 
ATOM   321 CD2 CD2 . TRP TRP TRP A A 43 43 . -16.521 20.299 7.111   1.00 25.20 1 . C ? 
ATOM   322 NE1 NE1 . TRP TRP TRP A A 43 43 . -16.533 22.421 7.830   1.00 26.63 1 . N ? 
ATOM   323 CE2 CE2 . TRP TRP TRP A A 43 43 . -16.582 21.647 6.700   1.00 26.26 1 . C ? 
ATOM   324 CE3 CE3 . TRP TRP TRP A A 43 43 . -16.537 19.298 6.141   1.00 22.61 1 . C ? 
ATOM   325 CZ2 CZ2 . TRP TRP TRP A A 43 43 . -16.650 22.023 5.350   1.00 28.75 1 . C ? 
ATOM   326 CZ3 CZ3 . TRP TRP TRP A A 43 43 . -16.608 19.673 4.790   1.00 29.28 1 . C ? 
ATOM   327 CH2 CH2 . TRP TRP TRP A A 43 43 . -16.672 21.026 4.413   1.00 22.05 1 . C ? 
ATOM   328 N   N   . THR THR THR A A 44 44 . -17.946 16.338 9.719   1.00 24.17 1 . N ? 
ATOM   329 CA  CA  . THR THR THR A A 44 44 . -17.782 14.918 9.983   1.00 22.33 1 . C ? 
ATOM   330 C   C   . THR THR THR A A 44 44 . -17.237 14.253 8.727   1.00 23.88 1 . C ? 
ATOM   331 O   O   . THR THR THR A A 44 44 . -17.383 14.773 7.617   1.00 25.26 1 . O ? 
ATOM   332 CB  CB  . THR THR THR A A 44 44 . -19.098 14.215 10.367  1.00 25.93 1 . C ? 
ATOM   333 OG1 OG1 . THR THR THR A A 44 44 . -19.939 14.112 9.211   1.00 19.47 1 . O ? 
ATOM   334 CG2 CG2 . THR THR THR A A 44 44 . -19.845 14.928 11.512  1.00 20.81 1 . C ? 
ATOM   335 N   N   . TYR TYR TYR A A 45 45 . -16.628 13.079 8.903   1.00 22.07 1 . N ? 
ATOM   336 CA  CA  . TYR TYR TYR A A 45 45 . -16.169 12.283 7.771   1.00 22.90 1 . C ? 
ATOM   337 C   C   . TYR TYR TYR A A 45 45 . -16.372 10.804 8.058   1.00 22.59 1 . C ? 
ATOM   338 O   O   . TYR TYR TYR A A 45 45 . -15.944 10.309 9.102   1.00 27.54 1 . O ? 
ATOM   339 CB  CB  . TYR TYR TYR A A 45 45 . -14.696 12.549 7.458   1.00 23.46 1 . C ? 
ATOM   340 CG  CG  . TYR TYR TYR A A 45 45 . -14.171 11.756 6.282   1.00 20.41 1 . C ? 
ATOM   341 CD1 CD1 . TYR TYR TYR A A 45 45 . -14.764 11.870 5.027   1.00 24.46 1 . C ? 
ATOM   342 CD2 CD2 . TYR TYR TYR A A 45 45 . -13.061 10.925 6.412   1.00 26.12 1 . C ? 
ATOM   343 CE1 CE1 . TYR TYR TYR A A 45 45 . -14.285 11.157 3.942   1.00 23.33 1 . C ? 
ATOM   344 CE2 CE2 . TYR TYR TYR A A 45 45 . -12.558 10.216 5.332   1.00 23.12 1 . C ? 
ATOM   345 CZ  CZ  . TYR TYR TYR A A 45 45 . -13.182 10.328 4.100   1.00 24.89 1 . C ? 
ATOM   346 OH  OH  . TYR TYR TYR A A 45 45 . -12.709 9.637  3.006   1.00 24.62 1 . O ? 
ATOM   347 N   N   . ASP ASP ASP A A 46 46 . -16.999 10.106 7.114   1.00 26.79 1 . N ? 
ATOM   348 CA  CA  . ASP ASP ASP A A 46 46 . -17.222 8.662  7.185   1.00 24.82 1 . C ? 
ATOM   349 C   C   . ASP ASP ASP A A 46 46 . -16.271 8.013  6.180   1.00 27.32 1 . C ? 
ATOM   350 O   O   . ASP ASP ASP A A 46 46 . -16.527 7.988  4.968   1.00 23.49 1 . O ? 
ATOM   351 CB  CB  . ASP ASP ASP A A 46 46 . -18.686 8.349  6.901   1.00 22.13 1 . C ? 
ATOM   352 CG  CG  . ASP ASP ASP A A 46 46 . -19.022 6.887  7.056   1.00 21.43 1 . C ? 
ATOM   353 OD1 OD1 . ASP ASP ASP A A 46 46 . -18.093 6.072  7.191   1.00 27.43 1 . O ? 
ATOM   354 OD2 OD2 . ASP ASP ASP A A 46 46 . -20.229 6.551  6.990   1.00 28.68 1 . O ? 
ATOM   355 N   N   . ASP ASP ASP A A 47 47 . -15.169 7.483  6.699   1.00 28.36 1 . N ? 
ATOM   356 CA  CA  . ASP ASP ASP A A 47 47 . -14.110 6.957  5.847   1.00 31.04 1 . C ? 
ATOM   357 C   C   . ASP ASP ASP A A 47 47 . -14.607 5.789  4.999   1.00 28.46 1 . C ? 
ATOM   358 O   O   . ASP ASP ASP A A 47 47 . -14.256 5.665  3.817   1.00 27.31 1 . O ? 
ATOM   359 CB  CB  . ASP ASP ASP A A 47 47 . -12.939 6.546  6.740   1.00 37.48 1 . C ? 
ATOM   360 CG  CG  . ASP ASP ASP A A 47 47 . -12.639 7.585  7.823   1.00 42.17 1 . C ? 
ATOM   361 OD1 OD1 . ASP ASP ASP A A 47 47 . -13.483 7.781  8.734   1.00 41.04 1 . O ? 
ATOM   362 OD2 OD2 . ASP ASP ASP A A 47 47 . -11.543 8.188  7.786   1.00 43.65 1 . O ? 
ATOM   363 N   N   . ALA ALA ALA A A 48 48 . -15.458 4.942  5.582   1.00 28.06 1 . N ? 
ATOM   364 CA  CA  . ALA ALA ALA A A 48 48 . -15.941 3.742  4.915   1.00 26.52 1 . C ? 
ATOM   365 C   C   . ALA ALA ALA A A 48 48 . -16.810 4.036  3.696   1.00 30.84 1 . C ? 
ATOM   366 O   O   . ALA ALA ALA A A 48 48 . -16.949 3.166  2.831   1.00 28.51 1 . O ? 
ATOM   367 CB  CB  . ALA ALA ALA A A 48 48 . -16.710 2.878  5.906   1.00 25.41 1 . C ? 
ATOM   368 N   N   . THR THR THR A A 49 49 . -17.401 5.227  3.607   1.00 25.18 1 . N ? 
ATOM   369 CA  CA  . THR THR THR A A 49 49 . -18.234 5.603  2.474   1.00 27.69 1 . C ? 
ATOM   370 C   C   . THR THR THR A A 49 49 . -17.753 6.882  1.804   1.00 24.72 1 . C ? 
ATOM   371 O   O   . THR THR THR A A 49 49 . -18.497 7.468  1.009   1.00 25.38 1 . O ? 
ATOM   372 CB  CB  . THR THR THR A A 49 49 . -19.690 5.765  2.922   1.00 28.87 1 . C ? 
ATOM   373 OG1 OG1 . THR THR THR A A 49 49 . -19.798 6.915  3.771   1.00 30.20 1 . O ? 
ATOM   374 CG2 CG2 . THR THR THR A A 49 49 . -20.132 4.537  3.703   1.00 28.70 1 . C ? 
ATOM   375 N   N   . LYS LYS LYS A A 50 50 . -16.537 7.339  2.122   1.00 22.21 1 . N ? 
ATOM   376 CA  CA  . LYS LYS LYS A A 50 50 . -15.961 8.559  1.546   1.00 19.69 1 . C ? 
ATOM   377 C   C   . LYS LYS LYS A A 50 50 . -16.936 9.734  1.605   1.00 19.69 1 . C ? 
ATOM   378 O   O   . LYS LYS LYS A A 50 50 . -17.053 10.504 0.657   1.00 21.94 1 . O ? 
ATOM   379 CB  CB  . LYS LYS LYS A A 50 50 . -15.494 8.311  0.102   1.00 26.09 1 . C ? 
ATOM   380 CG  CG  . LYS LYS LYS A A 50 50 . -14.166 7.538  0.007   1.00 30.49 1 . C ? 
ATOM   381 CD  CD  . LYS LYS LYS A A 50 50 . -13.569 7.602  -1.395  1.00 31.00 1 . C ? 
ATOM   382 CE  CE  . LYS LYS LYS A A 50 50 . -12.496 6.540  -1.577  1.00 42.95 1 . C ? 
ATOM   383 NZ  NZ  . LYS LYS LYS A A 50 50 . -11.795 6.180  -0.316  1.00 42.08 1 . N ? 
ATOM   384 N   N   . THR THR THR A A 51 51 . -17.630 9.901  2.743   1.00 25.11 1 . N ? 
ATOM   385 CA  CA  . THR THR THR A A 51 51 . -18.696 10.901 2.858   1.00 20.46 1 . C ? 
ATOM   386 C   C   . THR THR THR A A 51 51 . -18.416 11.893 3.985   1.00 22.40 1 . C ? 
ATOM   387 O   O   . THR THR THR A A 51 51 . -18.349 11.503 5.160   1.00 23.62 1 . O ? 
ATOM   388 CB  CB  . THR THR THR A A 51 51 . -20.056 10.237 3.092   1.00 21.67 1 . C ? 
ATOM   389 OG1 OG1 . THR THR THR A A 51 51 . -20.353 9.359  2.010   1.00 20.34 1 . O ? 
ATOM   390 CG2 CG2 . THR THR THR A A 51 51 . -21.164 11.286 3.163   1.00 24.93 1 . C ? 
ATOM   391 N   N   . PHE PHE PHE A A 52 52 . -18.288 13.172 3.622   1.00 22.57 1 . N ? 
ATOM   392 CA  CA  . PHE PHE PHE A A 52 52 . -18.255 14.293 4.556   1.00 16.21 1 . C ? 
ATOM   393 C   C   . PHE PHE PHE A A 52 52 . -19.654 14.845 4.803   1.00 20.73 1 . C ? 
ATOM   394 O   O   . PHE PHE PHE A A 52 52 . -20.505 14.812 3.916   1.00 18.12 1 . O ? 
ATOM   395 CB  CB  . PHE PHE PHE A A 52 52 . -17.396 15.441 4.017   1.00 20.84 1 . C ? 
ATOM   396 CG  CG  . PHE PHE PHE A A 52 52 . -15.938 15.107 3.824   1.00 23.41 1 . C ? 
ATOM   397 CD1 CD1 . PHE PHE PHE A A 52 52 . -15.494 14.552 2.634   1.00 22.47 1 . C ? 
ATOM   398 CD2 CD2 . PHE PHE PHE A A 52 52 . -15.006 15.396 4.823   1.00 24.17 1 . C ? 
ATOM   399 CE1 CE1 . PHE PHE PHE A A 52 52 . -14.133 14.263 2.432   1.00 26.31 1 . C ? 
ATOM   400 CE2 CE2 . PHE PHE PHE A A 52 52 . -13.657 15.115 4.646   1.00 23.82 1 . C ? 
ATOM   401 CZ  CZ  . PHE PHE PHE A A 52 52 . -13.215 14.545 3.453   1.00 24.31 1 . C ? 
ATOM   402 N   N   . THR THR THR A A 53 53 . -19.885 15.383 6.026   1.00 18.37 1 . N ? 
ATOM   403 CA  CA  . THR THR THR A A 53 53 . -21.013 16.287 6.264   1.00 20.31 1 . C ? 
ATOM   404 C   C   . THR THR THR A A 53 53 . -20.534 17.578 6.919   1.00 22.13 1 . C ? 
ATOM   405 O   O   . THR THR THR A A 53 53 . -19.580 17.586 7.698   1.00 26.23 1 . O ? 
ATOM   406 CB  CB  . THR THR THR A A 53 53 . -22.153 15.698 7.159   1.00 15.68 1 . C ? 
ATOM   407 OG1 OG1 . THR THR THR A A 53 53 . -21.758 15.697 8.538   1.00 22.35 1 . O ? 
ATOM   408 CG2 CG2 . THR THR THR A A 53 53 . -22.531 14.281 6.713   1.00 17.07 1 . C ? 
ATOM   409 N   N   . VAL VAL VAL A A 54 54 . -21.201 18.678 6.575   1.00 23.66 1 . N ? 
ATOM   410 CA  CA  . VAL VAL VAL A A 54 54 . -21.023 19.953 7.253   1.00 18.74 1 . C ? 
ATOM   411 C   C   . VAL VAL VAL A A 54 54 . -22.417 20.444 7.609   1.00 24.18 1 . C ? 
ATOM   412 O   O   . VAL VAL VAL A A 54 54 . -23.339 20.348 6.798   1.00 24.64 1 . O ? 
ATOM   413 CB  CB  . VAL VAL VAL A A 54 54 . -20.261 20.994 6.406   1.00 26.59 1 . C ? 
ATOM   414 CG1 CG1 . VAL VAL VAL A A 54 54 . -20.887 21.189 5.010   1.00 24.42 1 . C ? 
ATOM   415 CG2 CG2 . VAL VAL VAL A A 54 54 . -20.189 22.329 7.143   1.00 28.43 1 . C ? 
ATOM   416 N   N   . THR THR THR A A 55 55 . -22.574 20.899 8.845   1.00 23.05 1 . N ? 
ATOM   417 CA  CA  . THR THR THR A A 55 55 . -23.861 21.338 9.361   1.00 24.55 1 . C ? 
ATOM   418 C   C   . THR THR THR A A 55 55 . -23.671 22.707 9.992   1.00 27.14 1 . C ? 
ATOM   419 O   O   . THR THR THR A A 55 55 . -22.777 22.884 10.825  1.00 29.51 1 . O ? 
ATOM   420 CB  CB  . THR THR THR A A 55 55 . -24.408 20.351 10.401  1.00 31.98 1 . C ? 
ATOM   421 OG1 OG1 . THR THR THR A A 55 55 . -24.536 19.049 9.809   1.00 20.67 1 . O ? 
ATOM   422 CG2 CG2 . THR THR THR A A 55 55 . -25.777 20.816 10.916  1.00 26.04 1 . C ? 
ATOM   423 N   N   . GLU GLU GLU A A 56 56 . -24.508 23.661 9.591   1.00 24.94 1 . N ? 
ATOM   424 CA  CA  . GLU GLU GLU A A 56 56 . -24.504 25.018 10.137  1.00 29.70 1 . C ? 
ATOM   425 C   C   . GLU GLU GLU A A 56 56 . -24.523 25.018 11.668  1.00 35.13 1 . C ? 
ATOM   426 O   O   . GLU GLU GLU A A 56 56 . -25.352 24.352 12.282  1.00 27.20 1 . O ? 
ATOM   427 CB  CB  . GLU GLU GLU A A 56 56 . -25.716 25.788 9.603   1.00 30.62 1 . C ? 
ATOM   428 CG  CG  . GLU GLU GLU A A 56 56 . -25.748 27.275 9.927   1.00 31.19 1 . C ? 
ATOM   429 CD  CD  . GLU GLU GLU A A 56 56 . -24.654 28.059 9.216   1.00 38.05 1 . C ? 
ATOM   430 OE1 OE1 . GLU GLU GLU A A 56 56 . -23.997 28.893 9.877   1.00 41.72 1 . O ? 
ATOM   431 OE2 OE2 . GLU GLU GLU A A 56 56 . -24.438 27.828 8.001   1.00 38.63 1 . O ? 
ATOM   432 OXT OXT . GLU GLU GLU A A 56 56 . -23.714 25.676 12.333  1.00 33.08 1 . O ? 
HETATM 433 O   O   . HOH HOH HOH S . 1  1  . -22.117 17.918 10.143  1.00 22.29 1 . O ? 
HETATM 434 O   O   . HOH HOH HOH S . 2  2  . -19.501 11.792 7.836   1.00 23.73 1 . O ? 
HETATM 435 O   O   . HOH HOH HOH S . 5  5  . -18.231 19.669 -5.521  1.00 31.09 1 . O ? 
HETATM 436 O   O   . HOH HOH HOH S . 10 10 . -27.371 16.311 7.298   1.00 34.50 1 . O ? 
HETATM 437 O   O   . HOH HOH HOH S . 16 16 . -13.994 16.610 9.533   1.00 40.86 1 . O ? 
HETATM 438 O   O   . HOH HOH HOH S . 18 18 . -26.862 18.021 9.652   1.00 34.85 1 . O ? 
HETATM 439 O   O   . HOH HOH HOH S . 20 20 . -14.426 0.000  8.016   1.00 42.23 1 . O ? 
HETATM 440 O   O   . HOH HOH HOH S . 21 21 . -5.104  9.366  -5.991  1.00 45.44 1 . O ? 
HETATM 441 O   O   . HOH HOH HOH S . 22 22 . -24.553 22.916 14.433  1.00 38.91 1 . O ? 
HETATM 442 O   O   . HOH HOH HOH S . 23 23 . -5.939  12.304 2.781   1.00 35.74 1 . O ? 
HETATM 443 O   O   . HOH HOH HOH S . 24 24 . -32.155 27.886 7.618   1.00 30.47 1 . O ? 
HETATM 444 O   O   . HOH HOH HOH S . 25 25 . -28.457 17.682 4.303   1.00 36.00 1 . O ? 
HETATM 445 O   O   . HOH HOH HOH S . 26 26 . -25.646 18.870 14.786  1.00 51.75 1 . O ? 
HETATM 446 O   O   . HOH HOH HOH S . 27 27 . -17.315 25.906 8.882   1.00 44.88 1 . O ? 
HETATM 447 O   O   . HOH HOH HOH S . 28 28 . -15.815 20.958 12.781  1.00 35.61 1 . O ? 
HETATM 448 O   O   . HOH HOH HOH S . 29 29 . -25.153 29.544 -2.764  1.00 31.53 1 . O ? 
# 
_atom_sites.entry_id                    UNNAMED 
_atom_sites.fract_transf_matrix[1][1]   0.022846 
_atom_sites.fract_transf_matrix[1][2]   0.013190 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.026380 
_atom_sites.fract_transf_matrix[2][3]   0.000000 
_atom_sites.fract_transf_matrix[3][1]   0.000000 
_atom_sites.fract_transf_matrix[3][2]   0.000000 
_atom_sites.fract_transf_matrix[3][3]   0.020790 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
_cell.length_a      43.771 
_cell.length_b      43.771 
_cell.length_c      48.099 
_cell.angle_alpha   90.000 
_cell.angle_beta    90.000 
_cell.angle_gamma   120.000 
_cell.entry_id      UNNAMED 
# 
_data_extraction.extraction_date   'Thu Nov 14 02:21:04 2019' 
# 
loop_
_database_2.database_id 
_database_2.database_code 
PDB   UNNAMED 
WWPDB UNNAMED 
# 
_database_PDB_remark.id     1 
_database_PDB_remark.text   
;
REMARK Date 2019-11-19 Time 15:06:07 IST +0530 (1574156167.81 s)                
REMARK PHENIX refinement                                                        
REMARK                                                                          
REMARK ****************** INPUT FILES AND LABELS ****************************** 
REMARK Reflections:                                                             
REMARK   file name      : /home/puja/data/GB1/19_09_17/process/VAXDS_ASCII_scale
REMARK   labels         : ['IMEAN_GBVA,SIGIMEAN_GBVA']                          
REMARK R-free flags:                                                            
REMARK   file name      : /home/puja/data/GB1/19_09_17/process/VAXDS_ASCII_scale
REMARK   label          : FreeR_flag                                            
REMARK   test_flag_value: 0                                                     
REMARK Model file name(s):                                                      
REMARK   /backup/Puja/JC/JC2/GB1_vA/GB1VA_refine_22-coot-1.pdb                  
REMARK                                                                          
REMARK ******************** REFINEMENT SUMMARY: QUICK FACTS ******************* 
REMARK Start: r_work = 0.2075 r_free = 0.2503 bonds = 0.008 angles = 0.943      
REMARK Final: r_work = 0.2063 r_free = 0.2498 bonds = 0.007 angles = 0.831      
REMARK ************************************************************************ 
REMARK                                                                          
REMARK ****************** REFINEMENT STATISTICS STEP BY STEP ****************** 
REMARK leading digit, like 1_, means number of macro-cycle                      
REMARK   0  : statistics at the very beginning when nothing is done yet         
REMARK   1 s: bulk solvent correction and/or (anisotropic) scaling              
REMARK   1 z: refinement of coordinates                                         
REMARK   1 p: refinement of ADPs (Atomic Displacement Parameters)               
REMARK   1 c: refinement of occupancies                                         
REMARK ------------------------------------------------------------------------ 
REMARK  stage       r-work r-free bonds angles b_min b_max b_ave n_water shift  
REMARK       0    : 0.3975 0.3138 0.008  0.94  15.9  60.5  30.8  16      0.000  
REMARK       1_bss: 0.2075 0.2503 0.008  0.94  15.9  60.5  30.8  16      0.000  
REMARK   1 ttarget: 0.2075 0.2503 0.008  0.94  15.9  60.5  30.8  16      0.000  
REMARK       1_nqh: 0.2076 0.2512 0.008  0.94  15.9  60.5  30.8  16      0.010  
REMARK    1_weight: 0.2076 0.2512 0.008  0.94  15.9  60.5  30.8  16      0.010  
REMARK    1_xyzrec: 0.2065 0.2670 0.007  0.79  15.9  60.5  30.8  16      0.086  
REMARK       1_adp: 0.2095 0.2705 0.007  0.79  20.1  60.0  31.5  16      0.086  
REMARK       2_bss: 0.2099 0.2707 0.007  0.79  18.0  57.9  29.4  16      0.086  
REMARK   2 ttarget: 0.2099 0.2707 0.007  0.79  18.0  57.9  29.4  16      0.086  
REMARK   2 datecdl: 0.2099 0.2707 0.007  0.80  18.0  57.9  29.4  16      0.086  
REMARK       2_nqh: 0.2099 0.2707 0.007  0.80  18.0  57.9  29.4  16      0.086  
REMARK   2 realsrl: 0.2127 0.2757 0.014  0.96  18.0  57.9  29.4  16      0.115  
REMARK    2_weight: 0.2127 0.2757 0.014  0.96  18.0  57.9  29.4  16      0.115  
REMARK    2_xyzrec: 0.2091 0.2630 0.007  0.86  18.0  57.9  29.4  16      0.081  
REMARK   2 ealsrl2: 0.2091 0.2630 0.007  0.86  18.0  57.9  29.4  16      0.081  
REMARK       2_adp: 0.2043 0.2568 0.007  0.86  15.9  61.4  30.0  16      0.081  
REMARK       3_bss: 0.2041 0.2575 0.007  0.86  15.9  61.4  30.0  16      0.081  
REMARK   3 ttarget: 0.2041 0.2575 0.007  0.86  15.9  61.4  30.0  16      0.081  
REMARK   3 datecdl: 0.2041 0.2575 0.007  0.87  15.9  61.4  30.0  16      0.081  
REMARK       3_nqh: 0.2044 0.2567 0.007  0.87  15.9  61.4  30.0  16      0.072  
REMARK   3 realsrl: 0.2058 0.2548 0.012  0.92  15.9  61.4  30.0  16      0.074  
REMARK    3_weight: 0.2058 0.2548 0.012  0.92  15.9  61.4  30.0  16      0.074  
REMARK    3_xyzrec: 0.2055 0.2489 0.007  0.83  15.9  61.4  30.0  16      0.069  
REMARK   3 ealsrl2: 0.2055 0.2489 0.007  0.83  15.9  61.4  30.0  16      0.069  
REMARK       3_adp: 0.2056 0.2495 0.007  0.83  15.7  61.9  30.2  16      0.069  
REMARK         end: 0.2063 0.2498 0.007  0.83  15.7  61.9  30.2  16      0.069  
REMARK ------------------------------------------------------------------------ 
REMARK MODEL CONTENT.                                                           
REMARK  ELEMENT        ATOM RECORD COUNT   OCCUPANCY SUM                        
REMARK        C                      270          270.00                        
REMARK        O                      112          112.00                        
REMARK        N                       66           66.00                        
REMARK    TOTAL                      448          448.00                        
REMARK -----------------------------------------------------------------------  
REMARK r_free_flags.md5.hexdigest 4098044be80534a8d18766d7a9827f45              
REMARK                                                                          
REMARK IF THIS FILE IS FOR PDB DEPOSITION: REMOVE ALL FROM THIS LINE UP.        
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (1.10.1_2155: ???)                            
REMARK   3   AUTHORS     : Adams,Afonine,Bunkoczi,Burnley,Chen,Dar,Davis,       
REMARK   3               : Draizen,Echols,Gildea,Gros,Grosse-Kunstleve,Headd,   
REMARK   3               : Hintze,Hung,Ioerger,McCoy,McKee,Moriarty,Oeffner,    
REMARK   3               : Read,Richardson,Richardson,Sacchettini,Sauter,       
REMARK   3               : Sobolev,Storoni,Terwilliger,Williams,Zwart           
REMARK   3                                                                      
REMARK   3  REFINEMENT TARGET : ML                                              
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.948                          
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 37.907                         
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.38                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 93.98                          
REMARK   3   NUMBER OF REFLECTIONS             : 3901                           
REMARK   3   NUMBER OF REFLECTIONS (NON-ANOMALOUS) : 3901                       
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.2090                          
REMARK   3   R VALUE            (WORKING SET) : 0.2063                          
REMARK   3   FREE R VALUE                     : 0.2498                          
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.61                            
REMARK   3   FREE R VALUE TEST SET COUNT      : 219                             
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE  CCWOR 
REMARK   3     1 37.9144 -  2.4547    0.97     1940   127  0.1980 0.2294   0.94 
REMARK   3     2  2.4547 -  1.9484    0.90     1742    92  0.2318 0.3391   0.90 
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   GRID STEP FACTOR   : 4.00                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.19             
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 19.03            
REMARK   3                                                                      
REMARK   3  STRUCTURE FACTORS CALCULATION ALGORITHM : FFT                       
REMARK   3                                                                      
REMARK   3  RESTRAINTS LIBRARY                                                  
REMARK   3    GEOSTD + MON.LIB. + CDL v1.2                                      
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD     MAX  COUNT                                  
REMARK   3   BOND      :  0.007   0.037    438                                  
REMARK   3   ANGLE     :  0.831   3.556    597                                  
REMARK   3   CHIRALITY :  0.047   0.139     71                                  
REMARK   3   PLANARITY :  0.005   0.013     77                                  
REMARK   3   DIHEDRAL  : 13.943 134.488    252                                  
REMARK   3   MIN NONBONDED DISTANCE : 2.319                                     
REMARK   3                                                                      
REMARK   3  MOLPROBITY STATISTICS.                                              
REMARK   3   ALL-ATOM CLASHSCORE : 0.00                                         
REMARK   3   RAMACHANDRAN PLOT:                                                 
REMARK   3     OUTLIERS : 1.85  %                                               
REMARK   3     ALLOWED  : 1.85  %                                               
REMARK   3     FAVORED  : 96.30 %                                               
REMARK   3   ROTAMER OUTLIERS : 0.00 %                                          
REMARK   3   CBETA DEVIATIONS : 1                                               
REMARK   3                                                                      
REMARK   3  ATOMIC DISPLACEMENT PARAMETERS.                                     
REMARK   3   WILSON B : 26.53                                                   
REMARK   3   RMS(B_ISO_OR_EQUIVALENT_BONDED) : 4.10                             
REMARK   3   ATOMS          NUMBER OF ATOMS                                     
REMARK   3                    ISO.  ANISO.                                      
REMARK   3    ALL         :    448       0                                      
REMARK   3    ALL (NO H)  :    448       0                                      
REMARK   3    SOLVENT     :     16       0                                      
REMARK   3    NON-SOLVENT :    432       0                                      
REMARK   3    HYDROGENS   :      0       0                                      
REMARK   3                                                                      
;
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    ? 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_diffrn_protocol             ? 
_diffrn_radiation.pdbx_scattering_type             ? 
# 
_entity_poly.entity_id                  1 
_entity_poly.pdbx_seq_one_letter_code   
'DTYKLILNG(DVA)ALKGETTTEAVDAATAEKVFKQYANDNGVDGEWTYDDATKTFTVTE' 
_entity_poly.pdbx_strand_id             A 
_entity_poly.type                       'polypeptide(L)' 
_entity_poly.pdbx_target_identifier     ? 
# 
_entry.id   UNNAMED 
# 
_exptl.crystals_number   1 
_exptl.entry_id          UNNAMED 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.470 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      ? 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   ? 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
# 
_refine.entry_id                                 UNNAMED 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.9480 
_refine.ls_d_res_low                             37.9070 
_refine.pdbx_ls_sigma_F                          1.380 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    93.9800 
_refine.ls_number_reflns_obs                     3901 
_refine.ls_number_reflns_all                     ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.ls_matrix_type                           ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.details                                  ? 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2090 
_refine.ls_R_factor_R_work                       0.2063 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2498 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 5.6100 
_refine.ls_number_reflns_R_free                  219 
_refine.ls_number_reflns_R_work                  3682 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               30.1944 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.overall_SU_R_free                        ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.overall_SU_ML                            0.1900 
_refine.overall_SU_B                             ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.pdbx_solvent_vdw_probe_radii             1.1100 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.ls_number_parameters                     ? 
_refine.ls_number_restraints                     ? 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_method_to_determine_struct          ? 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.B_iso_max                                61.860 
_refine.B_iso_min                                15.680 
_refine.pdbx_overall_phase_error                 19.0300 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
# 
_refine_hist.cycle_id                     final 
_refine_hist.pdbx_refine_id               'X-RAY DIFFRACTION' 
_refine_hist.d_res_high                   1.95 
_refine_hist.d_res_low                    37.91 
_refine_hist.pdbx_number_atoms_ligand     0 
_refine_hist.number_atoms_solvent         16 
_refine_hist.number_atoms_total           448 
_refine_hist.pdbx_number_residues_total   56 
_refine_hist.pdbx_B_iso_mean_solvent      36.24 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.type 
_refine_ls_restr.number 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' f_bond_d           438 0.007  ? ? ? 
'X-RAY DIFFRACTION' f_angle_d          597 0.831  ? ? ? 
'X-RAY DIFFRACTION' f_chiral_restr     71  0.047  ? ? ? 
'X-RAY DIFFRACTION' f_plane_restr      77  0.005  ? ? ? 
'X-RAY DIFFRACTION' f_dihedral_angle_d 252 13.943 ? ? ? 
# 
loop_
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.R_factor_R_free 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.pdbx_refine_id 
1.9484 2.4547  2 90.0000 1742 ? 0.2318 0.3391 ? 92  0.0000 1834 ? 'X-RAY DIFFRACTION' 
2.4547 37.9144 2 97.0000 1940 ? 0.1980 0.2294 ? 127 0.0000 2067 ? 'X-RAY DIFFRACTION' 
# 
_reflns.entry_id                     UNNAMED 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             37.910 
_reflns.d_resolution_high            1.950 
_reflns.number_obs                   3909 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         94.900 
_reflns.pdbx_Rmerge_I_obs            0.094 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        14.600 
_reflns.B_iso_Wilson_estimate        26.530 
_reflns.pdbx_redundancy              9.900 
_reflns.pdbx_Rrim_I_all              0.099 
_reflns.pdbx_Rpim_I_all              0.032 
_reflns.pdbx_CC_half                 0.998 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     38866 
_reflns.pdbx_scaling_rejects         8 
_reflns.pdbx_chi_squared             ? 
_reflns.Rmerge_F_all                 ? 
_reflns.Rmerge_F_obs                 ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.observed_criterion_I_max     ? 
_reflns.observed_criterion_I_min     ? 
_reflns.pdbx_d_res_high_opt          ? 
_reflns.pdbx_d_res_low_opt           ? 
_reflns.details                      ? 
# 
loop_
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_ordinal 
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.number_measured_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_unique_obs 
_reflns_shell.pdbx_rejects 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_redundancy 
_reflns_shell.percent_possible_obs 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.percent_possible_all 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_CC_half 
_reflns_shell.pdbx_number_anomalous 
1 1 1.950 2.000  ? 1480 208 ? 0.361 ? ? ? 7.100 ? 3.800  ? ? ? ? ? ? 65.400 0.386 0.131 0.963 ? 
1 2 8.490 37.910 ? 498  67  ? 0.040 ? ? ? 7.400 ? 26.600 ? ? ? ? ? ? 98.600 0.043 0.015 0.999 ? 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
1 Aimless     0.5.21      10/12/15       program 'Phil Evans'    ?                        
'data scaling'    http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?   
2 PHENIX      1.10.1_2155 ?              package 'Paul D. Adams' PDAdams@lbl.gov          
refinement        http://www.phenix-online.org/                       C++ 
3 PDB_EXTRACT 3.25        'Apr. 1, 2019' package PDB             deposit@deposit.rcsb.org 
'data extraction' http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++ 
# 
_symmetry.space_group_name_H-M   'P 32 2 1' 
_symmetry.entry_id               UNNAMED 
# 
