data_XXXX
#
_entry.id  XXXX
#
#
_cell.length_a         43.887
_cell.length_b         45.761
_cell.length_c         51.314
_cell.angle_alpha      90.000
_cell.angle_beta       90.000
_cell.angle_gamma      90.000
#
_symmetry.entry_id              XXXX
_symmetry.space_group_name_H-M  'P 21 21 21'
_symmetry.Int_Tables_number        19
#
loop_
   _entity.id 
   _entity.type 
     1  polymer
     2  polymer
     3  polymer
     4  water           
     5  non-polymer     
#
loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
     1    1 GLY n
     1    2 ILE n
     1    3 VAL n
     1    4 GLU n
     1    5 GLN n
     1    6 CYS n
     1    7 CYS n
     1    8 THR n
     1    9 SER n
     1   10 ILE n
     1   11 CYS n
     1   12 SER n
     1   13 LEU n
     1   14 TYR n
     1   15 GLN n
     1   16 LEU n
     1   17 GLU n
     1   18 ASN n
     1   19 TYR n
     1   20 CYS n
     1   21 ASN n
     2    1 PHE n
     2    2 VAL n
     2    3 ASN n
     2    4 GLN n
     2    5 HIS n
     2    6 LEU n
     2    7 CYS n
     2    8 GLY n
     2    9 SER n
     2   10 HIS n
     2   11 LEU n
     2   12 VAL n
     2   13 GLU n
     2   14 ALA n
     2   15 LEU n
     2   16 TYR n
     2   17 LEU n
     2   18 VAL n
     2   19 CYS n
     2   20 GLY n
     2   21 GLU n
     2   22 ARG n
     2   23 GLY n
     2   24 PHE n
     2   25 PHE n
     2   26 PHE n
     2   27 THR n
     2   28 PRO n
     2   29 LYS n
     2   30 THR n
     3    1 PHE n
     3    2 VAL n
     3    3 ASN n
     3    4 GLN n
     3    5 HIS n
     3    6 LEU n
     3    7 CYS n
     3    8 GLY n
     3    9 SER n
     3   10 HIS n
     3   11 LEU n
     3   12 VAL n
     3   13 GLU n
     3   14 ALA n
     3   15 LEU n
     3   16 TYR n
     3   17 LEU n
     3   18 VAL n
     3   19 CYS n
     3   20 GLY n
     3   21 GLU n
     3   22 ARG n
     3   23 GLY n
     3   24 PHE n
     3   25 PHE n
     3   26 PHE n
     3   27 THR n
     3   28 PRO n
     3   29 LYS n
#
loop_
   _struct_conn.id
   _struct_conn.conn_type_id
   _struct_conn.ptnr1_label_atom_id
   _struct_conn.ptnr1_label_alt_id
   _struct_conn.ptnr1_auth_seq_id
   _struct_conn.ptnr1_label_comp_id
   _struct_conn.ptnr1_label_asym_id
   _struct_conn.ptnr1_symmetry
   _struct_conn.ptnr2_label_atom_id
   _struct_conn.ptnr2_label_alt_id
   _struct_conn.ptnr2_auth_seq_id
   _struct_conn.ptnr2_label_comp_id
   _struct_conn.ptnr2_label_asym_id
   _struct_conn.ptnr2_symmetry
   _struct_conn.pdbx_dist_value
  1  SS      SG   .     6  CYS AA   .     SG   .    11  CYS AA   .      .
  2  SS      SG   .     7  CYS AA   .     SG   .     7  CYS BB   .      .
  3  SS      SG   .    20  CYS AA   .     SG   .    19  CYS BB   .      .
  4  SS      SG   .     6  CYS CC   .     SG   .    11  CYS CC   .      .
  5  SS      SG   .     7  CYS CC   .     SG   .     7  CYS DD   .      .
  6  SS      SG   .    20  CYS CC   .     SG   .    19  CYS DD   .      .
#
_software.classification         refinement
_software.contact_author         'Garib N. Murshudov'
_software.contact_author_email   garib@mrc-lmb.cam.ac.uk
_software.description            '(un)restrained refinement or idealisation of macromolecular structures'
_software.name                   refmac
_software.version                '5.8.0073 2014/05/25'
_computing.structure_refinement   'REFMAC 5.8.0073'
_refine.details   'Hydrogens have been added in their riding positions'
_refine.B_iso_mean            12.978
_refine.aniso_B[1][1]          0.621
_refine.aniso_B[2][2]         -0.437
_refine.aniso_B[3][3]         -0.184
_refine.aniso_B[1][2]          0.000
_refine.aniso_B[1][3]         -0.000
_refine.aniso_B[2][3]          0.000
#
_refine.solvent_model_details     'BABINET MODEL PLUS MASK'
_refine.pdbx_solvent_vdw_probe_radii            1.200
_refine.pdbx_solvent_ion_probe_radii            0.800
_refine.pdbx_solvent_shrinkage_radii            0.800
_refine.ls_d_res_high                       1.585
_refine.ls_d_res_low                       34.153
_refine.ls_number_reflns_R_work              13606
_refine.ls_number_reflns_R_free                720
_refine.ls_number_reflns_obs                 14326
_refine.ls_R_factor_R_work                  0.1537
_refine.ls_R_factor_R_free                  0.1817
_refine.ls_R_factor_all                    0.155
_refine.ls_wR_factor_R_work                  0.159
_refine.ls_wR_factor_R_free                  0.190
_refine.ls_percent_reflns_obs               98.386
_refine.ls_percent_reflns_free             5.026
_refine.correlation_coeff_Fo_to_Fc           0.965
_refine.correlation_coeff_Fo_to_Fc_free      0.960
_refine.pdbx_overall_ESU_R                   0.078
_refine.pdbx_overall_ESU_R_Free                   0.078
_refine.verall_SU_ML                  ?
_refine.pdbx_overall_ESU_B                   ?
_refine.ccp4_fsc_overall                   ?
_refine.ccp4_fsc_work                      0.9621
_refine.ccp4_fsc_free                      0.9539
_refine.pdbx_refine_id                       'X-RAY DIFFRACTION'
#
#
loop_
    _refine_ls_shell.pdbx_total_number_of_bins_used
    _refine_ls_shell.d_res_low
    _refine_ls_shell.d_res_high
    _refine_ls_shell.number_reflns_all
    _refine_ls_shell.percent_reflns_obs
    _refine_ls_shell.number_reflns_R_work
    _refine_ls_shell.R_factor_R_work
    _refine_ls_shell.R_factor_R_all
    _refine_ls_shell.number_reflns_R_free
    _refine_ls_shell.R_factor_R_free
    _refine_ls_shell.wR_factor_R_work
    _refine_ls_shell.ccp4_fsc_work
    _refine_ls_shell.ccp4_fsc_free
    _refine_ls_shell.pdbx_refine_id

   20  34.153  6.949      212    98.5849      198 0.240  0.241       11  0.266    0.323    0.957    0.946   'X-RAY DIFFRACTION'
   20   6.949  4.965      328    99.0854      316 0.199  0.198        9  0.181    0.231    0.962    0.966   'X-RAY DIFFRACTION'
   20   4.965  4.068      409    99.5110      383 0.142  0.143       24  0.147    0.173    0.975    0.983   'X-RAY DIFFRACTION'
   20   4.068  3.530      473    99.1543      444 0.143  0.142       25  0.132    0.170    0.972    0.984   'X-RAY DIFFRACTION'
   20   3.530  3.160      541    99.4455      502 0.148  0.153       36  0.228    0.171    0.968    0.951   'X-RAY DIFFRACTION'
   20   3.160  2.887      571    99.6497      544 0.153  0.156       25  0.224    0.173    0.957    0.929   'X-RAY DIFFRACTION'
   20   2.887  2.674      634    99.5268      604 0.154  0.154       27  0.153    0.168    0.961    0.965   'X-RAY DIFFRACTION'
   20   2.674  2.503      683    99.2679      650 0.142  0.143       28  0.155    0.151    0.974    0.964   'X-RAY DIFFRACTION'
   20   2.503  2.360      700    99.8571      665 0.142  0.145       34  0.200    0.141    0.969    0.958   'X-RAY DIFFRACTION'
   20   2.360  2.240      762    99.4751      724 0.147  0.149       34  0.175    0.140    0.964    0.963   'X-RAY DIFFRACTION'
   20   2.240  2.136      779    99.4865      733 0.141  0.142       42  0.165    0.133    0.972    0.971   'X-RAY DIFFRACTION'
   20   2.136  2.045      820    99.6341      769 0.141  0.140       48  0.129    0.138    0.976    0.979   'X-RAY DIFFRACTION'
   20   2.045  1.965      855    99.4152      810 0.145  0.147       40  0.183    0.136    0.972    0.954   'X-RAY DIFFRACTION'
   20   1.965  1.894      887    99.3236      839 0.145  0.146       42  0.176    0.133    0.968    0.964   'X-RAY DIFFRACTION'
   20   1.894  1.830      889    99.6625      847 0.147  0.148       39  0.176    0.129    0.963    0.964   'X-RAY DIFFRACTION'
   20   1.830  1.772      952    99.5798      908 0.149  0.151       40  0.199    0.124    0.960    0.958   'X-RAY DIFFRACTION'
   20   1.772  1.719      978    99.2843      922 0.166  0.167       49  0.186    0.143    0.954    0.955   'X-RAY DIFFRACTION'
   20   1.719  1.671     1003    99.3021      934 0.167  0.169       62  0.211    0.137    0.954    0.935   'X-RAY DIFFRACTION'
   20   1.671  1.626     1021    99.7062      964 0.163  0.167       54  0.256    0.132    0.946    0.919   'X-RAY DIFFRACTION'
   20   1.626  1.585     1060    85.0000      850 0.185  0.189       51  0.257    0.153    0.938    0.923   'X-RAY DIFFRACTION'
#
loop_
    _refine_ls_restr.type
    _refine_ls_restr.number
    _refine_ls_restr.dev_ideal
    _refine_ls_restr.dev_ideal_target
    _refine_ls_restr.pdbx_refine_id
r_bond_refined_d                   823    0.025    0.019 'X-RAY DIFFRACTION'
r_bond_other_d                     739    0.000    0.020 'X-RAY DIFFRACTION'
r_angle_refined_deg               1117    2.102    1.954 'X-RAY DIFFRACTION'
r_angle_other_deg                 1694    3.727    3.000 'X-RAY DIFFRACTION'
r_dihedral_angle_1_deg              99    6.898    5.000 'X-RAY DIFFRACTION'
r_dihedral_angle_2_deg              37   35.510   24.054 'X-RAY DIFFRACTION'
r_dihedral_angle_3_deg             126   12.801   15.000 'X-RAY DIFFRACTION'
r_dihedral_angle_4_deg               2   17.193   15.000 'X-RAY DIFFRACTION'
r_chiral_restr                     124    0.158    0.200 'X-RAY DIFFRACTION'
r_gen_planes_refined               926    0.010    0.020 'X-RAY DIFFRACTION'
r_gen_planes_other                 208    0.016    0.020 'X-RAY DIFFRACTION'
r_nbd_refined                      344    0.258    0.200 'X-RAY DIFFRACTION'
r_symmetry_nbd_other               626    0.222    0.200 'X-RAY DIFFRACTION'
r_nbtor_refined                    409    0.203    0.200 'X-RAY DIFFRACTION'
r_symmetry_nbtor_other             390    0.106    0.200 'X-RAY DIFFRACTION'
r_xyhbond_nbd_refined               11    0.120    0.200 'X-RAY DIFFRACTION'
r_symmetry_nbd_refined              54    0.233    0.200 'X-RAY DIFFRACTION'
r_nbd_other                         35    0.143    0.200 'X-RAY DIFFRACTION'
r_symmetry_xyhbond_nbd_refined       5    0.233    0.200 'X-RAY DIFFRACTION'
r_mcbond_it                        402    1.407    1.046 'X-RAY DIFFRACTION'
r_mcbond_other                     401    1.369    1.040 'X-RAY DIFFRACTION'
r_mcangle_it                       496    2.000    1.550 'X-RAY DIFFRACTION'
r_mcangle_other                    497    1.999    1.555 'X-RAY DIFFRACTION'
r_scbond_it                        421    2.773    1.321 'X-RAY DIFFRACTION'
r_scbond_other                     414    2.604    1.289 'X-RAY DIFFRACTION'
r_scangle_it                       620    3.679    1.907 'X-RAY DIFFRACTION'
r_scangle_other                    609    3.590    1.859 'X-RAY DIFFRACTION'
r_lrange_it                       1078    4.991   10.319 'X-RAY DIFFRACTION'
r_lrange_other                     978    4.574    9.248 'X-RAY DIFFRACTION'
#
loop_
     _atom_type.symbol
     _atom_type.scat_Cromer_Mann_a1
     _atom_type.scat_Cromer_Mann_b1
     _atom_type.scat_Cromer_Mann_a2
     _atom_type.scat_Cromer_Mann_b2
     _atom_type.scat_Cromer_Mann_a3
     _atom_type.scat_Cromer_Mann_b3
     _atom_type.scat_Cromer_Mann_a4
     _atom_type.scat_Cromer_Mann_b4
     _atom_type.scat_Cromer_Mann_c
N     12.213   0.006   3.132   9.893   2.013  28.997   1.166   0.583 -11.529
C      2.310  20.844   1.020  10.208   1.589   0.569   0.865  51.651   0.216
H      0.493  10.511   0.323  26.126   0.140   3.142   0.041  57.800   0.003
O      3.049  13.277   2.287   5.701   1.546   0.324   0.867  32.909   0.251
S      6.905   1.468   5.203  22.215   1.438   0.254   1.586  56.172   0.867
#
_ccp4_reflns_twin.number_of_domains     1
#
_ccp4_refine_ls.jelly_body  no
#
loop_
  _atom_site.group_PDB
  _atom_site.id
  _atom_site.type_symbol
  _atom_site.label_atom_id
  _atom_site.label_alt_id
  _atom_site.label_comp_id
  _atom_site.label_asym_id
  _atom_site.label_entity_id
  _atom_site.label_seq_id
  _atom_site.pdbx_PDB_atom_name
  _atom_site.pdbx_PDB_ins_code
  _atom_site.pdbx_PDB_residue_name
  _atom_site.pdbx_PDB_chain_name
  _atom_site.pdbx_PDB_residue_no
  _atom_site.Cartn_x
  _atom_site.Cartn_y
  _atom_site.Cartn_z
  _atom_site.occupancy
  _atom_site.B_iso_or_equiv
  _atom_site.pdbx_formal_charge
  _atom_site.auth_seq_id
  _atom_site.auth_comp_id
  _atom_site.auth_asym_id
  _atom_site.auth_atom_id
  _atom_site.calc_flag
  _atom_site.pdbx_PDB_model_num
ATOM           1 N  N    . GLY AA   1     1          N    . GLY AA     1     5.029     9.405   -23.488 1.000      8.940 .     1    GLY A    N    .  1
ATOM           2 C  CA   . GLY AA   1     1          CA   . GLY AA     1     3.601     9.331   -23.163 1.000      8.300 .     1    GLY A    CA   .  1
ATOM           3 H  HA3  . GLY AA   1     1          HA3  . GLY AA     1     3.073     9.625   -23.922 1.000      8.300 .     1    GLY A    HA3  c  1
ATOM           4 H  HA2  . GLY AA   1     1          HA2  . GLY AA     1     3.396     9.933   -22.430 1.000      8.300 .     1    GLY A    HA2  c  1
ATOM           5 C  C    . GLY AA   1     1          C    . GLY AA     1     3.218     7.918   -22.788 1.000      8.360 .     1    GLY A    C    .  1
ATOM           6 O  O    . GLY AA   1     1          O    . GLY AA     1     4.041     7.152   -22.404 1.000      7.760 .     1    GLY A    O    .  1
ATOM           7 H  H1   . GLY AA   1     1          H1   . GLY AA     1     5.136     9.709   -24.392 1.000      8.940 .     1    GLY A    H1   c  1
ATOM           8 H  H2   . GLY AA   1     1          H2   . GLY AA     1     5.462    10.019   -22.891 1.000      8.940 .     1    GLY A    H2   c  1
ATOM           9 H  H3   . GLY AA   1     1          H3   . GLY AA     1     5.424     8.535   -23.394 1.000      8.940 .     1    GLY A    H3   c  1
ATOM          10 N  N    . ILE AA   1     2          N    . ILE AA     2     1.917     7.655   -22.895 1.000      8.460 .     2    ILE A    N    .  1
ATOM          11 C  CA   . ILE AA   1     2          CA   . ILE AA     2     1.368     6.388   -22.312 1.000      6.770 .     2    ILE A    CA   .  1
ATOM          12 H  HA   . ILE AA   1     2          HA   . ILE AA     2     1.565     6.348   -21.353 1.000      6.770 .     2    ILE A    HA   c  1
ATOM          13 C  CB   . ILE AA   1     2          CB   . ILE AA     2    -0.161     6.361   -22.405 1.000      6.490 .     2    ILE A    CB   .  1
ATOM          14 H  HB   . ILE AA   1     2          HB   . ILE AA     2    -0.519     7.135   -21.942 1.000      6.490 .     2    ILE A    HB   c  1
ATOM          15 C  CG1  . ILE AA   1     2          CG1  . ILE AA     2    -0.784     5.215   -21.552 1.000      6.630 .     2    ILE A    CG1  .  1
ATOM          16 H  HG13 . ILE AA   1     2          HG13 . ILE AA     2    -0.427     5.262   -20.651 1.000      6.630 .     2    ILE A    HG13 c  1
ATOM          17 H  HG12 . ILE AA   1     2          HG12 . ILE AA     2    -0.540     4.362   -21.943 1.000      6.630 .     2    ILE A    HG12 c  1
ATOM          18 C  CD1  . ILE AA   1     2          CD1  . ILE AA     2    -2.279     5.247   -21.444 1.000      7.410 .     2    ILE A    CD1  .  1
ATOM          19 H  HD11 . ILE AA   1     2          HD11 . ILE AA     2    -2.545     6.074   -21.036 1.000      7.410 .     2    ILE A    HD11 c  1
ATOM          20 H  HD12 . ILE AA   1     2          HD12 . ILE AA     2    -2.569     4.509   -20.903 1.000      7.410 .     2    ILE A    HD12 c  1
ATOM          21 H  HD13 . ILE AA   1     2          HD13 . ILE AA     2    -2.657     5.178   -22.324 1.000      7.410 .     2    ILE A    HD13 c  1
ATOM          22 C  CG2  . ILE AA   1     2          CG2  . ILE AA     2    -0.677     6.401   -23.828 1.000      7.070 .     2    ILE A    CG2  .  1
ATOM          23 H  HG21 . ILE AA   1     2          HG21 . ILE AA     2    -0.373     7.209   -24.248 1.000      7.070 .     2    ILE A    HG21 c  1
ATOM          24 H  HG22 . ILE AA   1     2          HG22 . ILE AA     2    -1.637     6.383   -23.813 1.000      7.070 .     2    ILE A    HG22 c  1
ATOM          25 H  HG23 . ILE AA   1     2          HG23 . ILE AA     2    -0.341     5.638   -24.304 1.000      7.070 .     2    ILE A    HG23 c  1
ATOM          26 C  C    . ILE AA   1     2          C    . ILE AA     2     1.975     5.141   -23.003 1.000      7.360 .     2    ILE A    C    .  1
ATOM          27 O  O    . ILE AA   1     2          O    . ILE AA     2     2.247     4.138   -22.294 1.000      7.600 .     2    ILE A    O    .  1
ATOM          28 H  H    . ILE AA   1     2          H    . ILE AA     2     1.362     8.347   -23.378 1.000      8.460 .     2    ILE A    H    c  1
ATOM          29 N  N    . VAL AA   1     3          N    . VAL AA     3     2.221     5.192   -24.310 1.000      8.580 .     3    VAL A    N    .  1
ATOM          30 C  CA   . VAL AA   1     3          CA   . VAL AA     3     2.786     4.002   -24.965 1.000      8.130 .     3    VAL A    CA   .  1
ATOM          31 H  HA   . VAL AA   1     3          HA   . VAL AA     3     2.246     3.213   -24.750 1.000      8.130 .     3    VAL A    HA   c  1
ATOM          32 C  CB   . VAL AA   1     3          CB   . VAL AA     3     2.586     4.066   -26.477 1.000      9.360 .     3    VAL A    CB   .  1
ATOM          33 H  HB   . VAL AA   1     3          HB   . VAL AA     3     2.993     4.889   -26.818 1.000      9.360 .     3    VAL A    HB   c  1
ATOM          34 C  CG1  . VAL AA   1     3          CG1  . VAL AA     3     3.348     2.942   -27.148 1.000     10.230 .     3    VAL A    CG1  .  1
ATOM          35 H  HG11 . VAL AA   1     3          HG11 . VAL AA     3     4.282     3.033   -26.946 1.000     10.230 .     3    VAL A    HG11 c  1
ATOM          36 H  HG12 . VAL AA   1     3          HG12 . VAL AA     3     3.214     2.996   -28.097 1.000     10.230 .     3    VAL A    HG12 c  1
ATOM          37 H  HG13 . VAL AA   1     3          HG13 . VAL AA     3     3.021     2.102   -26.818 1.000     10.230 .     3    VAL A    HG13 c  1
ATOM          38 C  CG2  . VAL AA   1     3          CG2  . VAL AA     3     1.117     4.102   -26.862 1.000     10.060 .     3    VAL A    CG2  .  1
ATOM          39 H  HG21 . VAL AA   1     3          HG21 . VAL AA     3     0.689     3.307   -26.536 1.000     10.060 .     3    VAL A    HG21 c  1
ATOM          40 H  HG22 . VAL AA   1     3          HG22 . VAL AA     3     1.045     4.141   -27.819 1.000     10.060 .     3    VAL A    HG22 c  1
ATOM          41 H  HG23 . VAL AA   1     3          HG23 . VAL AA     3     0.710     4.879   -26.471 1.000     10.060 .     3    VAL A    HG23 c  1
ATOM          42 C  C    . VAL AA   1     3          C    . VAL AA     3     4.243     3.755   -24.512 1.000      8.480 .     3    VAL A    C    .  1
ATOM          43 O  O    . VAL AA   1     3          O    . VAL AA     3     4.629     2.644   -24.107 1.000      7.830 .     3    VAL A    O    .  1
ATOM          44 H  H    . VAL AA   1     3          H    . VAL AA     3     2.004     6.055   -24.787 1.000      8.580 .     3    VAL A    H    c  1
ATOM          45 N  N    . GLU AA   1     4          N    . GLU AA     4     5.075     4.783   -24.503 1.000      8.400 .     4    GLU A    N    .  1
ATOM          46 C  CA   . GLU AA   1     4          CA   . GLU AA     4     6.415     4.605   -23.991 1.000      8.940 .     4    GLU A    CA   .  1
ATOM          47 H  HA   . GLU AA   1     4          HA   . GLU AA     4     6.881     3.913   -24.506 1.000      8.940 .     4    GLU A    HA   c  1
ATOM          48 C  CB   . GLU AA   1     4          CB   . GLU AA     4     7.270     5.846   -24.163 1.000      9.210 .     4    GLU A    CB   .  1
ATOM          49 H  HB3  . GLU AA   1     4          HB3  . GLU AA     4     8.055     5.770   -23.598 1.000      9.210 .     4    GLU A    HB3  c  1
ATOM          50 H  HB2  . GLU AA   1     4          HB2  . GLU AA     4     6.761     6.622   -23.882 1.000      9.210 .     4    GLU A    HB2  c  1
ATOM          51 C  CG   . GLU AA   1     4          CG   . GLU AA     4     7.705     6.027   -25.606 1.000     10.980 .     4    GLU A    CG   .  1
ATOM          52 H  HG3  . GLU AA   1     4          HG3  . GLU AA     4     8.029     6.934   -25.727 1.000     10.980 .     4    GLU A    HG3  c  1
ATOM          53 H  HG2  . GLU AA   1     4          HG2  . GLU AA     4     6.947     5.861   -26.188 1.000     10.980 .     4    GLU A    HG2  c  1
ATOM          54 C  CD   . GLU AA   1     4          CD   . GLU AA     4     8.848     5.065   -26.051 1.000     12.710 .     4    GLU A    CD   .  1
ATOM          55 O  OE1  . GLU AA   1     4          OE1  . GLU AA     4     9.451     4.393   -25.251 1.000     14.450 .     4    GLU A    OE1  .  1
ATOM          56 O  OE2  . GLU AA   1     4          OE2  . GLU AA     4     9.171     5.139   -27.295 1.000     19.080 .     4    GLU A    OE2  .  1
ATOM          57 C  C    . GLU AA   1     4          C    . GLU AA     4     6.400     4.205   -22.536 1.000      9.190 .     4    GLU A    C    .  1
ATOM          58 O  O    . GLU AA   1     4          O    . GLU AA     4     7.212     3.319   -22.097 1.000     10.560 .     4    GLU A    O    .  1
ATOM          59 H  H    . GLU AA   1     4          H    . GLU AA     4     4.715     5.655   -24.864 1.000      8.400 .     4    GLU A    H    c  1
ATOM          60 N  N    . GLN AA   1     5          N    . GLN AA     5     5.516     4.809   -21.717 1.000      9.160 .     5    GLN A    N    .  1
ATOM          61 C  CA   . GLN AA   1     5          CA   . GLN AA     5     5.547     4.522   -20.275 1.000      9.050 .     5    GLN A    CA   .  1
ATOM          62 H  HA   . GLN AA   1     5          HA   . GLN AA     5     6.468     4.571   -19.943 1.000      9.050 .     5    GLN A    HA   c  1
ATOM          63 C  CB   . GLN AA   1     5          CB   . GLN AA     5     4.736     5.628   -19.559 1.000     10.420 .     5    GLN A    CB   .  1
ATOM          64 H  HB3  . GLN AA   1     5          HB3  . GLN AA     5     3.790     5.476   -19.713 1.000     10.420 .     5    GLN A    HB3  c  1
ATOM          65 H  HB2  . GLN AA   1     5          HB2  . GLN AA     5     4.976     6.489   -19.935 1.000     10.420 .     5    GLN A    HB2  c  1
ATOM          66 C  CG   . GLN AA   1     5          CG   . GLN AA     5     4.938     5.723   -18.045 1.000     10.460 .     5    GLN A    CG   .  1
ATOM          67 H  HG3  . GLN AA   1     5          HG3  . GLN AA     5     5.881     5.856   -17.860 1.000     10.460 .     5    GLN A    HG3  c  1
ATOM          68 H  HG2  . GLN AA   1     5          HG2  . GLN AA     5     4.627     4.902   -17.633 1.000     10.460 .     5    GLN A    HG2  c  1
ATOM          69 C  CD   . GLN AA   1     5          CD   . GLN AA     5     4.152     6.895   -17.461 1.000     12.410 .     5    GLN A    CD   .  1
ATOM          70 O  OE1  . GLN AA   1     5          OE1  . GLN AA     5     4.697     7.810   -16.807 1.000     16.730 .     5    GLN A    OE1  .  1
ATOM          71 N  NE2  . GLN AA   1     5          NE2  . GLN AA     5     2.928     6.858   -17.685 1.000     11.850 .     5    GLN A    NE2  .  1
ATOM          72 H  HE21 . GLN AA   1     5          HE21 . GLN AA     5     2.418     7.483   -17.389 1.000     11.850 .     5    GLN A    HE21 c  1
ATOM          73 H  HE22 . GLN AA   1     5          HE22 . GLN AA     5     2.593     6.207   -18.136 1.000     11.850 .     5    GLN A    HE22 c  1
ATOM          74 C  C    . GLN AA   1     5          C    . GLN AA     5     5.004     3.158   -19.878 1.000      8.790 .     5    GLN A    C    .  1
ATOM          75 O  O    . GLN AA   1     5          O    . GLN AA     5     5.466     2.545   -18.930 1.000      9.110 .     5    GLN A    O    .  1
ATOM          76 H  H    . GLN AA   1     5          H    . GLN AA     5     4.864     5.443   -22.157 1.000      9.160 .     5    GLN A    H    c  1
ATOM          77 N  N    . CYS AA   1     6          N    . CYS AA     6     3.973     2.705   -20.594 1.000      8.530 .     6    CYS A    N    .  1
ATOM          78 C  CA   . CYS AA   1     6          CA   . CYS AA     6     3.223     1.507   -20.203 1.000      9.160 .     6    CYS A    CA   .  1
ATOM          79 H  HA   . CYS AA   1     6          HA   . CYS AA     6     3.523     1.196   -19.323 1.000      9.160 .     6    CYS A    HA   c  1
ATOM          80 C  CB   . CYS AA   1     6          CB   . CYS AA     6     1.696     1.816   -20.092 1.000      9.090 .     6    CYS A    CB   .  1
ATOM          81 H  HB3  . CYS AA   1     6          HB3  . CYS AA     6     1.220     0.992   -19.905 1.000      9.090 .     6    CYS A    HB3  c  1
ATOM          82 H  HB2  . CYS AA   1     6          HB2  . CYS AA     6     1.382     2.163   -20.941 1.000      9.090 .     6    CYS A    HB2  c  1
ATOM          83 S  SG   . CYS AA   1     6          SG   . CYS AA     6     1.164     2.994   -18.843 1.000     10.300 .     6    CYS A    SG   .  1
ATOM          84 C  C    . CYS AA   1     6          C    . CYS AA     6     3.327     0.321   -21.128 1.000      8.620 .     6    CYS A    C    .  1
ATOM          85 O  O    . CYS AA   1     6          O    . CYS AA     6     3.037    -0.819   -20.699 1.000      8.350 .     6    CYS A    O    .  1
ATOM          86 H  H    . CYS AA   1     6          H    . CYS AA     6     3.771     3.261   -21.412 1.000      8.530 .     6    CYS A    H    c  1
ATOM          87 N  N    . CYS AA   1     7          N    . CYS AA     7     3.701     0.562   -22.394 1.000      8.500 .     7    CYS A    N    .  1
ATOM          88 C  CA   . CYS AA   1     7          CA   . CYS AA     7     3.897    -0.499   -23.392 1.000      9.030 .     7    CYS A    CA   .  1
ATOM          89 H  HA   . CYS AA   1     7          HA   . CYS AA     7     3.424    -1.311   -23.115 1.000      9.030 .     7    CYS A    HA   c  1
ATOM          90 C  CB   . CYS AA   1     7          CB   . CYS AA     7     3.244    -0.134   -24.695 1.000      9.830 .     7    CYS A    CB   .  1
ATOM          91 H  HB3  . CYS AA   1     7          HB3  . CYS AA     7     3.551     0.745   -24.967 1.000      9.830 .     7    CYS A    HB3  c  1
ATOM          92 H  HB2  . CYS AA   1     7          HB2  . CYS AA     7     2.283    -0.094   -24.567 1.000      9.830 .     7    CYS A    HB2  c  1
ATOM          93 S  SG   . CYS AA   1     7          SG   . CYS AA     7     3.600    -1.315   -26.042 1.000     11.970 .     7    CYS A    SG   .  1
ATOM          94 C  C    . CYS AA   1     7          C    . CYS AA     7     5.408    -0.806   -23.552 1.000      9.490 .     7    CYS A    C    .  1
ATOM          95 O  O    . CYS AA   1     7          O    . CYS AA     7     5.825    -1.958   -23.398 1.000     10.650 .     7    CYS A    O    .  1
ATOM          96 H  H    . CYS AA   1     7          H    . CYS AA     7     3.830     1.547   -22.577 1.000      8.500 .     7    CYS A    H    c  1
ATOM          97 N  N    . THR AA   1     8          N    . THR AA     8     6.203     0.209   -23.872 1.000      8.390 .     8    THR A    N    .  1
ATOM          98 C  CA   . THR AA   1     8          CA   . THR AA     8     7.635    -0.028   -24.048 1.000      9.220 .     8    THR A    CA   .  1
ATOM          99 H  HA   . THR AA   1     8          HA   . THR AA     8     7.778    -0.779   -24.662 1.000      9.220 .     8    THR A    HA   c  1
ATOM         100 C  CB   . THR AA   1     8          CB   . THR AA     8     8.268     1.158   -24.751 1.000      9.450 .     8    THR A    CB   .  1
ATOM         101 H  HB   . THR AA   1     8          HB   . THR AA     8     8.128     1.954   -24.215 1.000      9.450 .     8    THR A    HB   c  1
ATOM         102 O  OG1  . THR AA   1     8          OG1  . THR AA     8     7.693     1.336   -26.037 1.000     11.130 .     8    THR A    OG1  .  1
ATOM         103 H  HG1  . THR AA   1     8          HG1  . THR AA     8     8.039     1.978   -26.413 0.000     11.130 .     8    THR A    HG1  c  1
ATOM         104 C  CG2  . THR AA   1     8          CG2  . THR AA     8     9.804     0.963   -24.914 1.000     10.430 .     8    THR A    CG2  .  1
ATOM         105 H  HG21 . THR AA   1     8          HG21 . THR AA     8    10.216     0.869   -24.052 1.000     10.430 .     8    THR A    HG21 c  1
ATOM         106 H  HG22 . THR AA   1     8          HG22 . THR AA     8    10.186     1.723   -25.359 1.000     10.430 .     8    THR A    HG22 c  1
ATOM         107 H  HG23 . THR AA   1     8          HG23 . THR AA     8     9.982     0.175   -25.433 1.000     10.430 .     8    THR A    HG23 c  1
ATOM         108 C  C    . THR AA   1     8          C    . THR AA     8     8.245    -0.331   -22.695 1.000      9.560 .     8    THR A    C    .  1
ATOM         109 O  O    . THR AA   1     8          O    . THR AA     8     9.048    -1.296   -22.551 1.000     11.670 .     8    THR A    O    .  1
ATOM         110 H  H    . THR AA   1     8          H    . THR AA     8     5.758     1.109   -23.978 1.000      8.390 .     8    THR A    H    c  1
ATOM         111 N  N    . SER AA   1     9          N    . SER AA     9     7.937     0.471   -21.674 1.000     10.150 .     9    SER A    N    .  1
ATOM         112 C  CA   A SER AA   1     9          CA   . SER AA     9     8.352     0.277   -20.309 0.500     10.270 .     9    SER A    CA   .  1
ATOM         113 C  CA   B SER AA   1     9          CA   . SER AA     9     8.343     0.308   -20.276 0.500     10.000 .     9    SER A    CA   .  1
ATOM         114 H  HA   A SER AA   1     9          HA   . SER AA     9     9.114    -0.338   -20.275 0.500     10.270 .     9    SER A    HA   c  1
ATOM         115 H  HA   B SER AA   1     9          HA   . SER AA     9     9.109    -0.301   -20.218 0.500     10.000 .     9    SER A    HA   c  1
ATOM         116 C  CB   A SER AA   1     9          CB   . SER AA     9     8.910     1.608   -19.754 0.500     11.160 .     9    SER A    CB   .  1
ATOM         117 C  CB   B SER AA   1     9          CB   . SER AA     9     8.794     1.669   -19.642 0.500     10.420 .     9    SER A    CB   .  1
ATOM         118 H  HB3  A SER AA   1     9          HB3  . SER AA     9     9.199     1.472   -18.838 0.500     11.160 .     9    SER A    HB3  c  1
ATOM         119 H  HB3  B SER AA   1     9          HB3  . SER AA     9     8.030     2.264   -19.595 0.500     10.420 .     9    SER A    HB3  c  1
ATOM         120 H  HB2  A SER AA   1     9          HB2  . SER AA     9     8.210     2.279   -19.781 0.500     11.160 .     9    SER A    HB2  c  1
ATOM         121 H  HB2  B SER AA   1     9          HB2  . SER AA     9     9.483     2.064   -20.199 0.500     10.420 .     9    SER A    HB2  c  1
ATOM         122 O  OG   A SER AA   1     9          OG   . SER AA     9    10.027     2.049   -20.547 0.500     13.080 .     9    SER A    OG   .  1
ATOM         123 O  OG   B SER AA   1     9          OG   . SER AA     9     9.330     1.541   -18.311 0.500     11.680 .     9    SER A    OG   .  1
ATOM         124 H  HG   A SER AA   1     9          HG   . SER AA     9    10.321     2.755   -20.250 0.000     13.080 .     9    SER A    HG   c  1
ATOM         125 H  HG   B SER AA   1     9          HG   . SER AA     9     9.550     2.277   -18.025 0.000     11.680 .     9    SER A    HG   c  1
ATOM         126 C  C    . SER AA   1     9          C    . SER AA     9     7.137    -0.258   -19.487 1.000     10.430 .     9    SER A    C    .  1
ATOM         127 O  O    . SER AA   1     9          O    . SER AA     9     6.154    -0.676   -20.068 1.000     12.750 .     9    SER A    O    .  1
ATOM         128 H  H    . SER AA   1     9          H    . SER AA     9     7.367     1.242   -21.991 1.000     10.150 .     9    SER A    H    c  1
ATOM         129 N  N    . ILE AA   1    10          N    . ILE AA    10     7.226    -0.296   -18.184 1.000     10.970 .    10    ILE A    N    .  1
ATOM         130 C  CA   . ILE AA   1    10          CA   . ILE AA    10     6.129    -0.817   -17.344 1.000      9.850 .    10    ILE A    CA   .  1
ATOM         131 H  HA   . ILE AA   1    10          HA   . ILE AA    10     5.403    -1.152   -17.911 1.000      9.850 .    10    ILE A    HA   c  1
ATOM         132 C  CB   . ILE AA   1    10          CB   . ILE AA    10     6.628    -1.979   -16.436 1.000     10.880 .    10    ILE A    CB   .  1
ATOM         133 H  HB   . ILE AA   1    10          HB   . ILE AA    10     7.415    -1.685   -15.952 1.000     10.880 .    10    ILE A    HB   c  1
ATOM         134 C  CG1  . ILE AA   1    10          CG1  . ILE AA    10     7.161    -3.179   -17.283 1.000     12.370 .    10    ILE A    CG1  .  1
ATOM         135 H  HG13 . ILE AA   1    10          HG13 . ILE AA    10     7.707    -2.836   -18.008 1.000     12.370 .    10    ILE A    HG13 c  1
ATOM         136 H  HG12 . ILE AA   1    10          HG12 . ILE AA    10     6.407    -3.661   -17.658 1.000     12.370 .    10    ILE A    HG12 c  1
ATOM         137 C  CD1  . ILE AA   1    10          CD1  . ILE AA    10     8.008    -4.169   -16.471 1.000     13.630 .    10    ILE A    CD1  .  1
ATOM         138 H  HD11 . ILE AA   1    10          HD11 . ILE AA    10     8.768    -3.707   -16.109 1.000     13.630 .    10    ILE A    HD11 c  1
ATOM         139 H  HD12 . ILE AA   1    10          HD12 . ILE AA    10     8.302    -4.876   -17.050 1.000     13.630 .    10    ILE A    HD12 c  1
ATOM         140 H  HD13 . ILE AA   1    10          HD13 . ILE AA    10     7.473    -4.528   -15.760 1.000     13.630 .    10    ILE A    HD13 c  1
ATOM         141 C  CG2  . ILE AA   1    10          CG2  . ILE AA    10     5.588    -2.407   -15.425 1.000     11.940 .    10    ILE A    CG2  .  1
ATOM         142 H  HG21 . ILE AA   1    10          HG21 . ILE AA    10     5.372    -1.659   -14.863 1.000     11.940 .    10    ILE A    HG21 c  1
ATOM         143 H  HG22 . ILE AA   1    10          HG22 . ILE AA    10     5.945    -3.122   -14.893 1.000     11.940 .    10    ILE A    HG22 c  1
ATOM         144 H  HG23 . ILE AA   1    10          HG23 . ILE AA    10     4.803    -2.705   -15.891 1.000     11.940 .    10    ILE A    HG23 c  1
ATOM         145 C  C    . ILE AA   1    10          C    . ILE AA    10     5.671     0.340   -16.480 1.000      9.230 .    10    ILE A    C    .  1
ATOM         146 O  O    . ILE AA   1    10          O    . ILE AA    10     6.509     1.064   -15.873 1.000     10.160 .    10    ILE A    O    .  1
ATOM         147 H  H    . ILE AA   1    10          H    . ILE AA    10     8.100     0.059   -17.823 1.000     10.970 .    10    ILE A    H    c  1
ATOM         148 N  N    . CYS AA   1    11          N    . CYS AA    11     4.350     0.504   -16.311 1.000      9.350 .    11    CYS A    N    .  1
ATOM         149 C  CA   . CYS AA   1    11          CA   . CYS AA    11     3.871     1.692   -15.571 1.000      8.810 .    11    CYS A    CA   .  1
ATOM         150 H  HA   . CYS AA   1    11          HA   . CYS AA    11     4.633     2.228   -15.268 1.000      8.810 .    11    CYS A    HA   c  1
ATOM         151 C  CB   . CYS AA   1    11          CB   . CYS AA    11     3.063     2.599   -16.505 1.000      9.700 .    11    CYS A    CB   .  1
ATOM         152 H  HB3  . CYS AA   1    11          HB3  . CYS AA    11     3.596     2.799   -17.290 1.000      9.700 .    11    CYS A    HB3  c  1
ATOM         153 H  HB2  . CYS AA   1    11          HB2  . CYS AA    11     2.870     3.432   -16.047 1.000      9.700 .    11    CYS A    HB2  c  1
ATOM         154 S  SG   . CYS AA   1    11          SG   . CYS AA    11     1.505     1.899   -17.059 1.000     10.440 .    11    CYS A    SG   .  1
ATOM         155 C  C    . CYS AA   1    11          C    . CYS AA    11     3.041     1.239   -14.371 1.000      9.490 .    11    CYS A    C    .  1
ATOM         156 O  O    . CYS AA   1    11          O    . CYS AA    11     2.682     0.057   -14.269 1.000     12.060 .    11    CYS A    O    .  1
ATOM         157 H  H    . CYS AA   1    11          H    . CYS AA    11     3.746    -0.203   -16.704 1.000      9.350 .    11    CYS A    H    c  1
ATOM         158 N  N    . SER AA   1    12          N    . SER AA    12     2.851     2.135   -13.429 1.000      9.970 .    12    SER A    N    .  1
ATOM         159 C  CA   . SER AA   1    12          CA   . SER AA    12     2.101     1.892   -12.191 1.000      9.550 .    12    SER A    CA   .  1
ATOM         160 H  HA   . SER AA   1    12          HA   . SER AA    12     2.041     0.929   -12.019 1.000      9.550 .    12    SER A    HA   c  1
ATOM         161 C  CB   . SER AA   1    12          CB   . SER AA    12     2.882     2.511   -11.048 1.000     10.620 .    12    SER A    CB   .  1
ATOM         162 H  HB3  . SER AA   1    12          HB3  . SER AA    12     3.799     2.198   -11.086 1.000     10.620 .    12    SER A    HB3  c  1
ATOM         163 H  HB2  . SER AA   1    12          HB2  . SER AA    12     2.479     2.242   -10.208 1.000     10.620 .    12    SER A    HB2  c  1
ATOM         164 O  OG   . SER AA   1    12          OG   . SER AA    12     2.884     3.922   -11.115 1.000     11.030 .    12    SER A    OG   .  1
ATOM         165 H  HG   . SER AA   1    12          HG   . SER AA    12     3.312     4.232   -10.488 0.000     11.030 .    12    SER A    HG   c  1
ATOM         166 C  C    . SER AA   1    12          C    . SER AA    12     0.704     2.463   -12.271 1.000      8.800 .    12    SER A    C    .  1
ATOM         167 O  O    . SER AA   1    12          O    . SER AA    12     0.380     3.157   -13.230 1.000      8.250 .    12    SER A    O    .  1
ATOM         168 H  H    . SER AA   1    12          H    . SER AA    12     3.288     3.014   -13.666 1.000      9.970 .    12    SER A    H    c  1
ATOM         169 N  N    . LEU AA   1    13          N    . LEU AA    13    -0.130     2.164   -11.313 1.000      8.120 .    13    LEU A    N    .  1
ATOM         170 C  CA   . LEU AA   1    13          CA   . LEU AA    13    -1.563     2.532   -11.407 1.000      7.050 .    13    LEU A    CA   .  1
ATOM         171 H  HA   . LEU AA   1    13          HA   . LEU AA    13    -1.959     2.134   -12.210 1.000      7.050 .    13    LEU A    HA   c  1
ATOM         172 C  CB   . LEU AA   1    13          CB   . LEU AA    13    -2.362     1.978   -10.229 1.000      7.270 .    13    LEU A    CB   .  1
ATOM         173 H  HB3  . LEU AA   1    13          HB3  . LEU AA    13    -1.970     2.300    -9.402 1.000      7.270 .    13    LEU A    HB3  c  1
ATOM         174 H  HB2  . LEU AA   1    13          HB2  . LEU AA    13    -2.270     1.013   -10.212 1.000      7.270 .    13    LEU A    HB2  c  1
ATOM         175 C  CG   . LEU AA   1    13          CG   . LEU AA    13    -3.834     2.306   -10.204 1.000      7.200 .    13    LEU A    CG   .  1
ATOM         176 H  HG   . LEU AA   1    13          HG   . LEU AA    13    -3.945     3.267   -10.273 1.000      7.200 .    13    LEU A    HG   c  1
ATOM         177 C  CD1  . LEU AA   1    13          CD1  . LEU AA    13    -4.577     1.665   -11.383 1.000      8.360 .    13    LEU A    CD1  .  1
ATOM         178 H  HD11 . LEU AA   1    13          HD11 . LEU AA    13    -4.204     1.995   -12.204 1.000      8.360 .    13    LEU A    HD11 c  1
ATOM         179 H  HD12 . LEU AA   1    13          HD12 . LEU AA    13    -5.507     1.898   -11.331 1.000      8.360 .    13    LEU A    HD12 c  1
ATOM         180 H  HD13 . LEU AA   1    13          HD13 . LEU AA    13    -4.475     0.712   -11.336 1.000      8.360 .    13    LEU A    HD13 c  1
ATOM         181 C  CD2  . LEU AA   1    13          CD2  . LEU AA    13    -4.427     1.830    -8.863 1.000      7.240 .    13    LEU A    CD2  .  1
ATOM         182 H  HD21 . LEU AA   1    13          HD21 . LEU AA    13    -4.301     0.882    -8.785 1.000      7.240 .    13    LEU A    HD21 c  1
ATOM         183 H  HD22 . LEU AA   1    13          HD22 . LEU AA    13    -5.364     2.037    -8.845 1.000      7.240 .    13    LEU A    HD22 c  1
ATOM         184 H  HD23 . LEU AA   1    13          HD23 . LEU AA    13    -3.977     2.281    -8.145 1.000      7.240 .    13    LEU A    HD23 c  1
ATOM         185 C  C    . LEU AA   1    13          C    . LEU AA    13    -1.716     4.056   -11.462 1.000      7.230 .    13    LEU A    C    .  1
ATOM         186 O  O    . LEU AA   1    13          O    . LEU AA    13    -2.518     4.517   -12.274 1.000      6.730 .    13    LEU A    O    .  1
ATOM         187 H  H    . LEU AA   1    13          H    . LEU AA    13     0.282     1.676   -10.531 1.000      8.120 .    13    LEU A    H    c  1
ATOM         188 N  N    . TYR AA   1    14          N    . TYR AA    14    -1.003     4.810   -10.692 1.000      7.280 .    14    TYR A    N    .  1
ATOM         189 C  CA   . TYR AA   1    14          CA   . TYR AA    14    -1.270     6.213   -10.695 1.000      7.670 .    14    TYR A    CA   .  1
ATOM         190 H  HA   . TYR AA   1    14          HA   . TYR AA    14    -2.237     6.370   -10.676 1.000      7.670 .    14    TYR A    HA   c  1
ATOM         191 C  CB   . TYR AA   1    14          CB   . TYR AA    14    -0.736     6.879    -9.399 1.000      8.720 .    14    TYR A    CB   .  1
ATOM         192 H  HB3  . TYR AA   1    14          HB3  . TYR AA    14    -0.717     7.841    -9.523 1.000      8.720 .    14    TYR A    HB3  c  1
ATOM         193 H  HB2  . TYR AA   1    14          HB2  . TYR AA    14     0.167     6.567    -9.233 1.000      8.720 .    14    TYR A    HB2  c  1
ATOM         194 C  CG   . TYR AA   1    14          CG   . TYR AA    14    -1.531     6.612    -8.146 1.000      9.710 .    14    TYR A    CG   .  1
ATOM         195 C  CD1  . TYR AA   1    14          CD1  . TYR AA    14    -2.812     6.206    -8.199 1.000     10.530 .    14    TYR A    CD1  .  1
ATOM         196 H  HD1  . TYR AA   1    14          HD1  . TYR AA    14    -3.208     6.051    -9.026 1.000     10.530 .    14    TYR A    HD1  c  1
ATOM         197 C  CE1  . TYR AA   1    14          CE1  . TYR AA    14    -3.555     6.014    -7.045 1.000     12.920 .    14    TYR A    CE1  .  1
ATOM         198 H  HE1  . TYR AA   1    14          HE1  . TYR AA    14    -4.449     5.762    -7.100 1.000     12.920 .    14    TYR A    HE1  c  1
ATOM         199 C  CZ   . TYR AA   1    14          CZ   . TYR AA    14    -2.976     6.194    -5.836 1.000     11.870 .    14    TYR A    CZ   .  1
ATOM         200 O  OH   . TYR AA   1    14          OH   . TYR AA    14    -3.660     5.977    -4.664 1.000     16.530 .    14    TYR A    OH   .  1
ATOM         201 H  HH   . TYR AA   1    14          HH   . TYR AA    14    -3.913     5.198    -4.627 0.000     16.530 .    14    TYR A    HH   c  1
ATOM         202 C  CE2  . TYR AA   1    14          CE2  . TYR AA    14    -1.679     6.571    -5.765 1.000     14.240 .    14    TYR A    CE2  .  1
ATOM         203 H  HE2  . TYR AA   1    14          HE2  . TYR AA    14    -1.267     6.676    -4.938 1.000     14.240 .    14    TYR A    HE2  c  1
ATOM         204 C  CD2  . TYR AA   1    14          CD2  . TYR AA    14    -0.965     6.800    -6.911 1.000     11.780 .    14    TYR A    CD2  .  1
ATOM         205 H  HD2  . TYR AA   1    14          HD2  . TYR AA    14    -0.083     7.087    -6.849 1.000     11.780 .    14    TYR A    HD2  c  1
ATOM         206 C  C    . TYR AA   1    14          C    . TYR AA    14    -0.685     6.882   -11.927 1.000      7.530 .    14    TYR A    C    .  1
ATOM         207 O  O    . TYR AA   1    14          O    . TYR AA    14    -1.142     7.904   -12.286 1.000      8.590 .    14    TYR A    O    .  1
ATOM         208 H  H    . TYR AA   1    14          H    . TYR AA    14    -0.293     4.367   -10.127 1.000      7.280 .    14    TYR A    H    c  1
ATOM         209 N  N    . GLN AA   1    15          N    . GLN AA    15     0.312     6.290   -12.573 1.000      7.390 .    15    GLN A    N    .  1
ATOM         210 C  CA   . GLN AA   1    15          CA   . GLN AA    15     0.767     6.761   -13.912 1.000      8.180 .    15    GLN A    CA   .  1
ATOM         211 H  HA   . GLN AA   1    15          HA   . GLN AA    15     1.026     7.705   -13.865 1.000      8.180 .    15    GLN A    HA   c  1
ATOM         212 C  CB   . GLN AA   1    15          CB   . GLN AA    15     2.028     6.052   -14.371 1.000      9.420 .    15    GLN A    CB   .  1
ATOM         213 H  HB3  . GLN AA   1    15          HB3  . GLN AA    15     2.195     6.275   -15.300 1.000      9.420 .    15    GLN A    HB3  c  1
ATOM         214 H  HB2  . GLN AA   1    15          HB2  . GLN AA    15     1.895     5.094   -14.302 1.000      9.420 .    15    GLN A    HB2  c  1
ATOM         215 C  CG   . GLN AA   1    15          CG   . GLN AA    15     3.205     6.458   -13.536 1.000     10.380 .    15    GLN A    CG   .  1
ATOM         216 H  HG3  . GLN AA   1    15          HG3  . GLN AA    15     3.004     6.286   -12.603 1.000     10.380 .    15    GLN A    HG3  c  1
ATOM         217 H  HG2  . GLN AA   1    15          HG2  . GLN AA    15     3.379     7.402   -13.673 1.000     10.380 .    15    GLN A    HG2  c  1
ATOM         218 C  CD   . GLN AA   1    15          CD   . GLN AA    15     4.489     5.699   -13.878 1.000     11.250 .    15    GLN A    CD   .  1
ATOM         219 O  OE1  . GLN AA   1    15          OE1  . GLN AA    15     4.468     4.535   -14.224 1.000     11.930 .    15    GLN A    OE1  .  1
ATOM         220 N  NE2  . GLN AA   1    15          NE2  . GLN AA    15     5.643     6.408   -13.725 1.000     15.820 .    15    GLN A    NE2  .  1
ATOM         221 H  HE21 . GLN AA   1    15          HE21 . GLN AA    15     6.400     6.040   -13.900 1.000     15.820 .    15    GLN A    HE21 c  1
ATOM         222 H  HE22 . GLN AA   1    15          HE22 . GLN AA    15     5.614     7.223   -13.453 1.000     15.820 .    15    GLN A    HE22 c  1
ATOM         223 C  C    . GLN AA   1    15          C    . GLN AA    15    -0.348     6.579   -14.895 1.000      7.120 .    15    GLN A    C    .  1
ATOM         224 O  O    . GLN AA   1    15          O    . GLN AA    15    -0.726     7.530   -15.596 1.000      7.430 .    15    GLN A    O    .  1
ATOM         225 H  H    . GLN AA   1    15          H    . GLN AA    15     0.718     5.510   -12.076 1.000      7.390 .    15    GLN A    H    c  1
ATOM         226 N  N    . LEU AA   1    16          N    . LEU AA    16    -0.965     5.412   -14.908 1.000      7.340 .    16    LEU A    N    .  1
ATOM         227 C  CA   . LEU AA   1    16          CA   . LEU AA    16    -2.104     5.182   -15.790 1.000      8.470 .    16    LEU A    CA   .  1
ATOM         228 H  HA   . LEU AA   1    16          HA   . LEU AA    16    -1.830     5.284   -16.725 1.000      8.470 .    16    LEU A    HA   c  1
ATOM         229 C  CB   . LEU AA   1    16          CB   . LEU AA    16    -2.605     3.727   -15.699 1.000     10.810 .    16    LEU A    CB   .  1
ATOM         230 H  HB3  . LEU AA   1    16          HB3  . LEU AA    16    -3.081     3.609   -14.862 1.000     10.810 .    16    LEU A    HB3  c  1
ATOM         231 H  HB2  . LEU AA   1    16          HB2  . LEU AA    16    -1.840     3.132   -15.659 1.000     10.810 .    16    LEU A    HB2  c  1
ATOM         232 C  CG   . LEU AA   1    16          CG   . LEU AA    16    -3.498     3.150   -16.744 1.000     15.760 .    16    LEU A    CG   .  1
ATOM         233 H  HG   . LEU AA   1    16          HG   . LEU AA    16    -4.327     3.654   -16.765 1.000     15.760 .    16    LEU A    HG   c  1
ATOM         234 C  CD1  . LEU AA   1    16          CD1  . LEU AA    16    -2.813     3.129   -18.124 1.000     16.100 .    16    LEU A    CD1  .  1
ATOM         235 H  HD11 . LEU AA   1    16          HD11 . LEU AA    16    -2.588     4.028   -18.375 1.000     16.100 .    16    LEU A    HD11 c  1
ATOM         236 H  HD12 . LEU AA   1    16          HD12 . LEU AA    16    -3.418     2.753   -18.768 1.000     16.100 .    16    LEU A    HD12 c  1
ATOM         237 H  HD13 . LEU AA   1    16          HD13 . LEU AA    16    -2.017     2.595   -18.070 1.000     16.100 .    16    LEU A    HD13 c  1
ATOM         238 C  CD2  . LEU AA   1    16          CD2  . LEU AA    16    -3.756     1.713   -16.304 1.000     16.390 .    16    LEU A    CD2  .  1
ATOM         239 H  HD21 . LEU AA   1    16          HD21 . LEU AA    16    -2.919     1.246   -16.256 1.000     16.390 .    16    LEU A    HD21 c  1
ATOM         240 H  HD22 . LEU AA   1    16          HD22 . LEU AA    16    -4.330     1.288   -16.946 1.000     16.390 .    16    LEU A    HD22 c  1
ATOM         241 H  HD23 . LEU AA   1    16          HD23 . LEU AA    16    -4.177     1.721   -15.442 1.000     16.390 .    16    LEU A    HD23 c  1
ATOM         242 C  C    . LEU AA   1    16          C    . LEU AA    16    -3.234     6.126   -15.528 1.000      7.990 .    16    LEU A    C    .  1
ATOM         243 O  O    . LEU AA   1    16          O    . LEU AA    16    -3.829     6.688   -16.468 1.000      8.010 .    16    LEU A    O    .  1
ATOM         244 H  H    . LEU AA   1    16          H    . LEU AA    16    -0.588     4.722   -14.274 1.000      7.340 .    16    LEU A    H    c  1
ATOM         245 N  N    . GLU AA   1    17          N    . GLU AA    17    -3.595     6.295   -14.251 1.000      6.840 .    17    GLU A    N    .  1
ATOM         246 C  CA   . GLU AA   1    17          CA   . GLU AA    17    -4.727     7.092   -13.836 1.000      7.210 .    17    GLU A    CA   .  1
ATOM         247 H  HA   . GLU AA   1    17          HA   . GLU AA    17    -5.551     6.732   -14.225 1.000      7.210 .    17    GLU A    HA   c  1
ATOM         248 C  CB   . GLU AA   1    17          CB   . GLU AA    17    -5.056     6.997   -12.369 1.000      7.920 .    17    GLU A    CB   .  1
ATOM         249 H  HB3  . GLU AA   1    17          HB3  . GLU AA    17    -5.681     7.703   -12.139 1.000      7.920 .    17    GLU A    HB3  c  1
ATOM         250 H  HB2  . GLU AA   1    17          HB2  . GLU AA    17    -4.244     7.123   -11.854 1.000      7.920 .    17    GLU A    HB2  c  1
ATOM         251 C  CG   . GLU AA   1    17          CG   . GLU AA    17    -5.678     5.626   -12.020 1.000      7.470 .    17    GLU A    CG   .  1
ATOM         252 H  HG3  . GLU AA   1    17          HG3  . GLU AA    17    -5.037     4.927   -12.223 1.000      7.470 .    17    GLU A    HG3  c  1
ATOM         253 H  HG2  . GLU AA   1    17          HG2  . GLU AA    17    -6.485     5.503   -12.544 1.000      7.470 .    17    GLU A    HG2  c  1
ATOM         254 C  CD   . GLU AA   1    17          CD   . GLU AA    17    -6.053     5.494   -10.563 1.000      8.320 .    17    GLU A    CD   .  1
ATOM         255 O  OE1  . GLU AA   1    17          OE1  . GLU AA    17    -5.835     6.395    -9.716 1.000      8.370 .    17    GLU A    OE1  .  1
ATOM         256 O  OE2  . GLU AA   1    17          OE2  . GLU AA    17    -6.586     4.364   -10.188 1.000      8.720 .    17    GLU A    OE2  .  1
ATOM         257 C  C    . GLU AA   1    17          C    . GLU AA    17    -4.594     8.554   -14.257 1.000      6.950 .    17    GLU A    C    .  1
ATOM         258 O  O    . GLU AA   1    17          O    . GLU AA    17    -5.605     9.266   -14.550 1.000      7.040 .    17    GLU A    O    .  1
ATOM         259 H  H    . GLU AA   1    17          H    . GLU AA    17    -2.984     5.801   -13.617 1.000      6.840 .    17    GLU A    H    c  1
ATOM         260 N  N    . ASN AA   1    18          N    . ASN AA    18    -3.346     9.004   -14.299 1.000      6.550 .    18    ASN A    N    .  1
ATOM         261 C  CA   . ASN AA   1    18          CA   . ASN AA    18    -3.095    10.437   -14.672 1.000      7.660 .    18    ASN A    CA   .  1
ATOM         262 H  HA   . ASN AA   1    18          HA   . ASN AA    18    -3.589    11.032   -14.069 1.000      7.660 .    18    ASN A    HA   c  1
ATOM         263 C  CB   . ASN AA   1    18          CB   . ASN AA    18    -1.655    10.865   -14.416 1.000      8.430 .    18    ASN A    CB   .  1
ATOM         264 H  HB3  . ASN AA   1    18          HB3  . ASN AA    18    -1.420    11.571   -15.039 1.000      8.430 .    18    ASN A    HB3  c  1
ATOM         265 H  HB2  . ASN AA   1    18          HB2  . ASN AA    18    -1.071    10.100   -14.540 1.000      8.430 .    18    ASN A    HB2  c  1
ATOM         266 C  CG   . ASN AA   1    18          CG   . ASN AA    18    -1.437    11.396   -13.004 1.000     11.160 .    18    ASN A    CG   .  1
ATOM         267 O  OD1  . ASN AA   1    18          OD1  . ASN AA    18    -2.290    12.136   -12.567 1.000     16.100 .    18    ASN A    OD1  .  1
ATOM         268 N  ND2  . ASN AA   1    18          ND2  . ASN AA    18    -0.286    11.142   -12.381 1.000     15.740 .    18    ASN A    ND2  .  1
ATOM         269 H  HD21 . ASN AA   1    18          HD21 . ASN AA    18    -0.136    11.479   -11.473 1.000     15.740 .    18    ASN A    HD21 c  1
ATOM         270 H  HD22 . ASN AA   1    18          HD22 . ASN AA    18     0.410    10.619   -12.831 1.000     15.740 .    18    ASN A    HD22 c  1
ATOM         271 C  C    . ASN AA   1    18          C    . ASN AA    18    -3.514    10.706   -16.118 1.000      7.040 .    18    ASN A    C    .  1
ATOM         272 O  O    . ASN AA   1    18          O    . ASN AA    18    -3.713    11.867   -16.468 1.000      7.900 .    18    ASN A    O    .  1
ATOM         273 H  H    . ASN AA   1    18          H    . ASN AA    18    -2.620     8.339   -14.072 1.000      6.550 .    18    ASN A    H    c  1
ATOM         274 N  N    . TYR AA   1    19          N    . TYR AA    19    -3.685     9.713   -16.969 1.000      7.170 .    19    TYR A    N    .  1
ATOM         275 C  CA   . TYR AA   1    19          CA   . TYR AA    19    -4.039     9.880   -18.409 1.000      7.130 .    19    TYR A    CA   .  1
ATOM         276 H  HA   . TYR AA   1    19          HA   . TYR AA    19    -3.594    10.673   -18.774 1.000      7.130 .    19    TYR A    HA   c  1
ATOM         277 C  CB   . TYR AA   1    19          CB   . TYR AA    19    -3.529     8.774   -19.292 1.000      7.330 .    19    TYR A    CB   .  1
ATOM         278 H  HB3  . TYR AA   1    19          HB3  . TYR AA    19    -3.867     8.907   -20.191 1.000      7.330 .    19    TYR A    HB3  c  1
ATOM         279 H  HB2  . TYR AA   1    19          HB2  . TYR AA    19    -3.857     7.925   -18.956 1.000      7.330 .    19    TYR A    HB2  c  1
ATOM         280 C  CG   . TYR AA   1    19          CG   . TYR AA    19    -2.019     8.686   -19.375 1.000      7.450 .    19    TYR A    CG   .  1
ATOM         281 C  CD1  . TYR AA   1    19          CD1  . TYR AA    19    -1.280     9.672   -20.014 1.000      8.650 .    19    TYR A    CD1  .  1
ATOM         282 H  HD1  . TYR AA   1    19          HD1  . TYR AA    19    -1.720    10.398   -20.394 1.000      8.650 .    19    TYR A    HD1  c  1
ATOM         283 C  CE1  . TYR AA   1    19          CE1  . TYR AA    19     0.088     9.594   -20.094 1.000      9.010 .    19    TYR A    CE1  .  1
ATOM         284 H  HE1  . TYR AA   1    19          HE1  . TYR AA    19     0.572    10.275   -20.502 1.000      9.010 .    19    TYR A    HE1  c  1
ATOM         285 C  CZ   . TYR AA   1    19          CZ   . TYR AA    19     0.750     8.518   -19.577 1.000      9.010 .    19    TYR A    CZ   .  1
ATOM         286 O  OH   . TYR AA   1    19          OH   . TYR AA    19     2.102     8.460   -19.612 1.000     11.600 .    19    TYR A    OH   .  1
ATOM         287 H  HH   . TYR AA   1    19          HH   . TYR AA    19     2.421     9.094   -19.201 0.000     11.600 .    19    TYR A    HH   c  1
ATOM         288 C  CE2  . TYR AA   1    19          CE2  . TYR AA    19     0.078     7.577   -18.897 1.000      9.030 .    19    TYR A    CE2  .  1
ATOM         289 H  HE2  . TYR AA   1    19          HE2  . TYR AA    19     0.536     6.881   -18.485 1.000      9.030 .    19    TYR A    HE2  c  1
ATOM         290 C  CD2  . TYR AA   1    19          CD2  . TYR AA    19    -1.301     7.627   -18.799 1.000      8.760 .    19    TYR A    CD2  .  1
ATOM         291 H  HD2  . TYR AA   1    19          HD2  . TYR AA    19    -1.751     6.951   -18.347 1.000      8.760 .    19    TYR A    HD2  c  1
ATOM         292 C  C    . TYR AA   1    19          C    . TYR AA    19    -5.562    10.024   -18.533 1.000      7.340 .    19    TYR A    C    .  1
ATOM         293 O  O    . TYR AA   1    19          O    . TYR AA    19    -6.066    10.315   -19.627 1.000      8.280 .    19    TYR A    O    .  1
ATOM         294 H  H    . TYR AA   1    19          H    . TYR AA    19    -3.545     8.821   -16.517 1.000      7.170 .    19    TYR A    H    c  1
ATOM         295 N  N    . CYS AA   1    20          N    . CYS AA    20    -6.306     9.785   -17.447 1.000      7.920 .    20    CYS A    N    .  1
ATOM         296 C  CA   . CYS AA   1    20          CA   . CYS AA    20    -7.764     9.839   -17.517 1.000      8.670 .    20    CYS A    CA   .  1
ATOM         297 H  HA   . CYS AA   1    20          HA   . CYS AA    20    -8.081     9.334   -18.295 1.000      8.670 .    20    CYS A    HA   c  1
ATOM         298 C  CB   . CYS AA   1    20          CB   . CYS AA    20    -8.402     9.221   -16.302 1.000      8.030 .    20    CYS A    CB   .  1
ATOM         299 H  HB3  . CYS AA   1    20          HB3  . CYS AA    20    -9.366     9.294   -16.380 1.000      8.030 .    20    CYS A    HB3  c  1
ATOM         300 H  HB2  . CYS AA   1    20          HB2  . CYS AA    20    -8.123     9.713   -15.514 1.000      8.030 .    20    CYS A    HB2  c  1
ATOM         301 S  SG   . CYS AA   1    20          SG   . CYS AA    20    -7.973     7.466   -16.068 1.000      8.800 .    20    CYS A    SG   .  1
ATOM         302 C  C    . CYS AA   1    20          C    . CYS AA    20    -8.254    11.286   -17.624 1.000     10.160 .    20    CYS A    C    .  1
ATOM         303 O  O    . CYS AA   1    20          O    . CYS AA    20    -7.553    12.199   -17.266 1.000     10.350 .    20    CYS A    O    .  1
ATOM         304 H  H    . CYS AA   1    20          H    . CYS AA    20    -5.784     9.572   -16.609 1.000      7.920 .    20    CYS A    H    c  1
ATOM         305 N  N    . ASN AA   1    21          N    . ASN AA    21    -9.462    11.443   -18.123 1.000     10.310 .    21    ASN A    N    .  1
ATOM         306 C  CA   . ASN AA   1    21          CA   . ASN AA    21   -10.140    12.730   -18.159 1.000     14.810 .    21    ASN A    CA   .  1
ATOM         307 H  HA   . ASN AA   1    21          HA   . ASN AA    21    -9.503    13.438   -18.388 1.000     14.810 .    21    ASN A    HA   c  1
ATOM         308 C  CB   . ASN AA   1    21          CB   . ASN AA    21   -11.232    12.608   -19.243 1.000     18.420 .    21    ASN A    CB   .  1
ATOM         309 H  HB3  . ASN AA   1    21          HB3  . ASN AA    21   -12.083    12.883   -18.867 1.000     18.420 .    21    ASN A    HB3  c  1
ATOM         310 H  HB2  . ASN AA   1    21          HB2  . ASN AA    21   -11.279    11.686   -19.542 1.000     18.420 .    21    ASN A    HB2  c  1
ATOM         311 C  CG   . ASN AA   1    21          CG   . ASN AA    21   -10.917    13.442   -20.346 1.000     21.940 .    21    ASN A    CG   .  1
ATOM         312 O  OD1  . ASN AA   1    21          OD1  . ASN AA    21   -10.473    12.954   -21.367 1.000     38.340 .    21    ASN A    OD1  .  1
ATOM         313 N  ND2  . ASN AA   1    21          ND2  . ASN AA    21   -10.915    14.799   -20.093 1.000     19.680 .    21    ASN A    ND2  .  1
ATOM         314 H  HD21 . ASN AA   1    21          HD21 . ASN AA    21   -10.706    15.431   -20.812 1.000     19.680 .    21    ASN A    HD21 c  1
ATOM         315 H  HD22 . ASN AA   1    21          HD22 . ASN AA    21   -11.123    15.130   -19.194 1.000     19.680 .    21    ASN A    HD22 c  1
ATOM         316 C  C    . ASN AA   1    21          C    . ASN AA    21   -10.795    13.093   -16.883 1.000     19.200 .    21    ASN A    C    .  1
ATOM         317 O  O    . ASN AA   1    21          O    . ASN AA    21   -10.474    12.595   -15.801 1.000     18.070 .    21    ASN A    O    .  1
ATOM         318 H  H    . ASN AA   1    21          H    . ASN AA    21    -9.857    10.582   -18.472 1.000     10.310 .    21    ASN A    H    c  1
ATOM         319 O  OXT  . ASN AA   1    21          OXT  . ASN AA    21   -11.786    13.866   -17.068 1.000     27.360 .    21    ASN A    OXT  .  1
ATOM         320 N  N    . PHE BB   2     1          N    . PHE BB     1     8.763   -15.520   -19.740 1.000     14.090 .     1    PHE B    N    .  1
ATOM         321 C  CA   . PHE BB   2     1          CA   . PHE BB     1     8.182   -15.160   -18.374 1.000     12.550 .     1    PHE B    CA   .  1
ATOM         322 H  HA   . PHE BB   2     1          HA   . PHE BB     1     7.891   -15.972   -17.909 1.000     12.550 .     1    PHE B    HA   c  1
ATOM         323 C  CB   . PHE BB   2     1          CB   . PHE BB     1     9.253   -14.493   -17.523 1.000     13.150 .     1    PHE B    CB   .  1
ATOM         324 H  HB3  . PHE BB   2     1          HB3  . PHE BB     1     9.312   -13.556   -17.767 1.000     13.150 .     1    PHE B    HB3  c  1
ATOM         325 H  HB2  . PHE BB   2     1          HB2  . PHE BB     1    10.107   -14.919   -17.699 1.000     13.150 .     1    PHE B    HB2  c  1
ATOM         326 C  CG   . PHE BB   2     1          CG   . PHE BB     1     8.986   -14.574   -16.039 1.000     12.480 .     1    PHE B    CG   .  1
ATOM         327 C  CD1  . PHE BB   2     1          CD1  . PHE BB     1     9.123   -15.795   -15.364 1.000     11.710 .     1    PHE B    CD1  .  1
ATOM         328 H  HD1  . PHE BB   2     1          HD1  . PHE BB     1     9.349   -16.561   -15.840 1.000     11.710 .     1    PHE B    HD1  c  1
ATOM         329 C  CE1  . PHE BB   2     1          CE1  . PHE BB     1     8.920   -15.857   -13.981 1.000     12.840 .     1    PHE B    CE1  .  1
ATOM         330 H  HE1  . PHE BB   2     1          HE1  . PHE BB     1     9.040   -16.661   -13.529 1.000     12.840 .     1    PHE B    HE1  c  1
ATOM         331 C  CZ   . PHE BB   2     1          CZ   . PHE BB     1     8.547   -14.736   -13.306 1.000     10.690 .     1    PHE B    CZ   .  1
ATOM         332 H  HZ   . PHE BB   2     1          HZ   . PHE BB     1     8.387   -14.776   -12.391 1.000     10.690 .     1    PHE B    HZ   c  1
ATOM         333 C  CE2  . PHE BB   2     1          CE2  . PHE BB     1     8.395   -13.543   -13.918 1.000     11.700 .     1    PHE B    CE2  .  1
ATOM         334 H  HE2  . PHE BB   2     1          HE2  . PHE BB     1     8.152   -12.794   -13.423 1.000     11.700 .     1    PHE B    HE2  c  1
ATOM         335 C  CD2  . PHE BB   2     1          CD2  . PHE BB     1     8.602   -13.439   -15.288 1.000     11.000 .     1    PHE B    CD2  .  1
ATOM         336 H  HD2  . PHE BB   2     1          HD2  . PHE BB     1     8.487   -12.618   -15.710 1.000     11.000 .     1    PHE B    HD2  c  1
ATOM         337 C  C    . PHE BB   2     1          C    . PHE BB     1     6.982   -14.230   -18.569 1.000     13.710 .     1    PHE B    C    .  1
ATOM         338 O  O    . PHE BB   2     1          O    . PHE BB     1     6.888   -13.545   -19.630 1.000     15.110 .     1    PHE B    O    .  1
ATOM         339 H  H1   . PHE BB   2     1          H1   . PHE BB     1     9.676   -15.228   -19.787 1.000     14.090 .     1    PHE B    H1   c  1
ATOM         340 H  H2   . PHE BB   2     1          H2   . PHE BB     1     8.725   -16.472   -19.863 1.000     14.090 .     1    PHE B    H2   c  1
ATOM         341 H  H3   . PHE BB   2     1          H3   . PHE BB     1     8.253   -15.088   -20.429 1.000     14.090 .     1    PHE B    H3   c  1
ATOM         342 N  N    . VAL BB   2     2          N    . VAL BB     2     6.077   -14.145   -17.583 1.000     11.750 .     2    VAL B    N    .  1
ATOM         343 C  CA   . VAL BB   2     2          CA   . VAL BB     2     4.853   -13.276   -17.646 1.000     11.310 .     2    VAL B    CA   .  1
ATOM         344 H  HA   . VAL BB   2     2          HA   . VAL BB     2     4.216   -13.642   -18.295 1.000     11.310 .     2    VAL B    HA   c  1
ATOM         345 C  CB   . VAL BB   2     2          CB   . VAL BB     2     4.046   -13.324   -16.309 1.000     12.130 .     2    VAL B    CB   .  1
ATOM         346 H  HB   . VAL BB   2     2          HB   . VAL BB     2     3.905   -14.260   -16.055 1.000     12.130 .     2    VAL B    HB   c  1
ATOM         347 C  CG1  . VAL BB   2     2          CG1  . VAL BB     2     4.817   -12.697   -15.212 1.000     11.960 .     2    VAL B    CG1  .  1
ATOM         348 H  HG11 . VAL BB   2     2          HG11 . VAL BB     2     5.642   -13.174   -15.098 1.000     11.960 .     2    VAL B    HG11 c  1
ATOM         349 H  HG12 . VAL BB   2     2          HG12 . VAL BB     2     4.302   -12.740   -14.403 1.000     11.960 .     2    VAL B    HG12 c  1
ATOM         350 H  HG13 . VAL BB   2     2          HG13 . VAL BB     2     4.996   -11.782   -15.439 1.000     11.960 .     2    VAL B    HG13 c  1
ATOM         351 C  CG2  . VAL BB   2     2          CG2  . VAL BB     2     2.687   -12.669   -16.516 1.000     12.060 .     2    VAL B    CG2  .  1
ATOM         352 H  HG21 . VAL BB   2     2          HG21 . VAL BB     2     2.817   -11.756   -16.783 1.000     12.060 .     2    VAL B    HG21 c  1
ATOM         353 H  HG22 . VAL BB   2     2          HG22 . VAL BB     2     2.196   -12.700   -15.692 1.000     12.060 .     2    VAL B    HG22 c  1
ATOM         354 H  HG23 . VAL BB   2     2          HG23 . VAL BB     2     2.211   -13.146   -17.200 1.000     12.060 .     2    VAL B    HG23 c  1
ATOM         355 C  C    . VAL BB   2     2          C    . VAL BB     2     5.263   -11.834   -18.061 1.000     12.390 .     2    VAL B    C    .  1
ATOM         356 O  O    . VAL BB   2     2          O    . VAL BB     2     6.315   -11.323   -17.670 1.000     13.250 .     2    VAL B    O    .  1
ATOM         357 H  H    . VAL BB   2     2          H    . VAL BB     2     6.318   -14.733   -16.798 1.000     11.750 .     2    VAL B    H    c  1
ATOM         358 N  N    . ASN BB   2     3          N    . ASN BB     3     4.463   -11.252   -18.925 1.000     12.430 .     3    ASN B    N    .  1
ATOM         359 C  CA   . ASN BB   2     3          CA   . ASN BB     3     4.692    -9.909   -19.532 1.000     12.830 .     3    ASN B    CA   .  1
ATOM         360 H  HA   . ASN BB   2     3          HA   . ASN BB     3     5.642    -9.674   -19.477 1.000     12.830 .     3    ASN B    HA   c  1
ATOM         361 C  CB   . ASN BB   2     3          CB   . ASN BB     3     4.331   -10.025   -21.008 1.000     14.960 .     3    ASN B    CB   .  1
ATOM         362 H  HB3  . ASN BB   2     3          HB3  . ASN BB     3     3.369   -10.118   -21.092 1.000     14.960 .     3    ASN B    HB3  c  1
ATOM         363 H  HB2  . ASN BB   2     3          HB2  . ASN BB     3     4.776   -10.802   -21.382 1.000     14.960 .     3    ASN B    HB2  c  1
ATOM         364 C  CG   . ASN BB   2     3          CG   . ASN BB     3     4.751    -8.813   -21.827 1.000     17.640 .     3    ASN B    CG   .  1
ATOM         365 O  OD1  . ASN BB   2     3          OD1  . ASN BB     3     4.897    -7.757   -21.315 1.000     16.490 .     3    ASN B    OD1  .  1
ATOM         366 N  ND2  . ASN BB   2     3          ND2  . ASN BB     3     4.988    -9.003   -23.106 1.000     20.260 .     3    ASN B    ND2  .  1
ATOM         367 H  HD21 . ASN BB   2     3          HD21 . ASN BB     3     5.261    -8.250   -23.671 1.000     20.260 .     3    ASN B    HD21 c  1
ATOM         368 H  HD22 . ASN BB   2     3          HD22 . ASN BB     3     4.892    -9.897   -23.495 1.000     20.260 .     3    ASN B    HD22 c  1
ATOM         369 C  C    . ASN BB   2     3          C    . ASN BB     3     3.857    -8.875   -18.820 1.000     11.960 .     3    ASN B    C    .  1
ATOM         370 O  O    . ASN BB   2     3          O    . ASN BB     3     2.626    -9.034   -18.770 1.000     14.130 .     3    ASN B    O    .  1
ATOM         371 H  H    . ASN BB   2     3          H    . ASN BB     3     3.666   -11.839   -19.126 1.000     12.430 .     3    ASN B    H    c  1
ATOM         372 N  N    . GLN BB   2     4          N    . GLN BB     4     4.479    -7.833   -18.278 1.000     10.900 .     4    GLN B    N    .  1
ATOM         373 C  CA   . GLN BB   2     4          CA   . GLN BB     4     3.782    -6.725   -17.589 1.000      9.600 .     4    GLN B    CA   .  1
ATOM         374 H  HA   . GLN BB   2     4          HA   . GLN BB     4     2.937    -7.045   -17.210 1.000      9.600 .     4    GLN B    HA   c  1
ATOM         375 C  CB   . GLN BB   2     4          CB   . GLN BB     4     4.632    -6.203   -16.426 1.000     10.720 .     4    GLN B    CB   .  1
ATOM         376 H  HB3  . GLN BB   2     4          HB3  . GLN BB     4     4.132    -5.522   -15.950 1.000     10.720 .     4    GLN B    HB3  c  1
ATOM         377 H  HB2  . GLN BB   2     4          HB2  . GLN BB     4     5.441    -5.802   -16.781 1.000     10.720 .     4    GLN B    HB2  c  1
ATOM         378 C  CG   . GLN BB   2     4          CG   . GLN BB     4     5.083    -7.192   -15.382 1.000     11.950 .     4    GLN B    CG   .  1
ATOM         379 H  HG3  . GLN BB   2     4          HG3  . GLN BB     4     5.519    -6.713   -14.661 1.000     11.950 .     4    GLN B    HG3  c  1
ATOM         380 H  HG2  . GLN BB   2     4          HG2  . GLN BB     4     5.700    -7.821   -15.788 1.000     11.950 .     4    GLN B    HG2  c  1
ATOM         381 C  CD   . GLN BB   2     4          CD   . GLN BB     4     4.000    -7.985   -14.776 1.000     12.420 .     4    GLN B    CD   .  1
ATOM         382 O  OE1  . GLN BB   2     4          OE1  . GLN BB     4     2.865    -7.539   -14.683 1.000     11.800 .     4    GLN B    OE1  .  1
ATOM         383 N  NE2  . GLN BB   2     4          NE2  . GLN BB     4     4.338    -9.175   -14.328 1.000     15.590 .     4    GLN B    NE2  .  1
ATOM         384 H  HE21 . GLN BB   2     4          HE21 . GLN BB     4     3.746    -9.682   -13.964 1.000     15.590 .     4    GLN B    HE21 c  1
ATOM         385 H  HE22 . GLN BB   2     4          HE22 . GLN BB     4     5.151    -9.446   -14.399 1.000     15.590 .     4    GLN B    HE22 c  1
ATOM         386 C  C    . GLN BB   2     4          C    . GLN BB     4     3.461    -5.532   -18.508 1.000      9.460 .     4    GLN B    C    .  1
ATOM         387 O  O    . GLN BB   2     4          O    . GLN BB     4     2.879    -4.510   -17.995 1.000      9.980 .     4    GLN B    O    .  1
ATOM         388 H  H    . GLN BB   2     4          H    . GLN BB     4     5.481    -7.891   -18.394 1.000     10.900 .     4    GLN B    H    c  1
ATOM         389 N  N    . HIS BB   2     5          N    . HIS BB     5     3.845    -5.602   -19.783 1.000      9.370 .     5    HIS B    N    .  1
ATOM         390 C  CA   . HIS BB   2     5          CA   . HIS BB     5     3.614    -4.471   -20.668 1.000      8.610 .     5    HIS B    CA   .  1
ATOM         391 H  HA   . HIS BB   2     5          HA   . HIS BB     5     3.801    -3.633   -20.196 1.000      8.610 .     5    HIS B    HA   c  1
ATOM         392 C  CB   . HIS BB   2     5          CB   . HIS BB     5     4.552    -4.535   -21.872 1.000      9.050 .     5    HIS B    CB   .  1
ATOM         393 H  HB3  . HIS BB   2     5          HB3  . HIS BB     5     4.407    -3.753   -22.428 1.000      9.050 .     5    HIS B    HB3  c  1
ATOM         394 H  HB2  . HIS BB   2     5          HB2  . HIS BB     5     4.349    -5.331   -22.389 1.000      9.050 .     5    HIS B    HB2  c  1
ATOM         395 C  CG   . HIS BB   2     5          CG   . HIS BB     5     5.982    -4.578   -21.499 1.000     10.150 .     5    HIS B    CG   .  1
ATOM         396 N  ND1  . HIS BB   2     5          ND1  . HIS BB     5     6.677    -3.477   -21.085 1.000     11.350 .     5    HIS B    ND1  .  1
ATOM         397 H  HD1  . HIS BB   2     5          HD1  . HIS BB     5     6.359    -2.680   -21.028 1.000     11.350 .     5    HIS B    HD1  c  1
ATOM         398 C  CE1  . HIS BB   2     5          CE1  . HIS BB     5     7.906    -3.830   -20.789 1.000     11.240 .     5    HIS B    CE1  .  1
ATOM         399 H  HE1  . HIS BB   2     5          HE1  . HIS BB     5     8.580    -3.261   -20.494 1.000     11.240 .     5    HIS B    HE1  c  1
ATOM         400 N  NE2  . HIS BB   2     5          NE2  . HIS BB     5     8.032    -5.122   -20.977 1.000     12.900 .     5    HIS B    NE2  .  1
ATOM         401 H  HE2  . HIS BB   2     5          HE2  . HIS BB     5     8.746    -5.580   -20.836 1.000     12.900 .     5    HIS B    HE2  c  1
ATOM         402 C  CD2  . HIS BB   2     5          CD2  . HIS BB     5     6.843    -5.613   -21.433 1.000     11.620 .     5    HIS B    CD2  .  1
ATOM         403 H  HD2  . HIS BB   2     5          HD2  . HIS BB     5     6.660    -6.497   -21.657 1.000     11.620 .     5    HIS B    HD2  c  1
ATOM         404 C  C    . HIS BB   2     5          C    . HIS BB     5     2.175    -4.452   -21.167 1.000     10.090 .     5    HIS B    C    .  1
ATOM         405 O  O    . HIS BB   2     5          O    . HIS BB     5     1.584    -5.462   -21.407 1.000      9.830 .     5    HIS B    O    .  1
ATOM         406 H  H    . HIS BB   2     5          H    . HIS BB     5     4.287    -6.465   -20.066 1.000      9.370 .     5    HIS B    H    c  1
ATOM         407 N  N    . LEU BB   2     6          N    . LEU BB     6     1.649    -3.243   -21.332 1.000      8.970 .     6    LEU B    N    .  1
ATOM         408 C  CA   . LEU BB   2     6          CA   . LEU BB     6     0.287    -3.049   -21.748 1.000      9.160 .     6    LEU B    CA   .  1
ATOM         409 H  HA   . LEU BB   2     6          HA   . LEU BB     6    -0.169    -3.914   -21.815 1.000      9.160 .     6    LEU B    HA   c  1
ATOM         410 C  CB   . LEU BB   2     6          CB   . LEU BB     6    -0.414    -2.117   -20.776 1.000     10.900 .     6    LEU B    CB   .  1
ATOM         411 H  HB3  . LEU BB   2     6          HB3  . LEU BB     6    -1.289    -1.892   -21.130 1.000     10.900 .     6    LEU B    HB3  c  1
ATOM         412 H  HB2  . LEU BB   2     6          HB2  . LEU BB     6     0.079    -1.283   -20.727 1.000     10.900 .     6    LEU B    HB2  c  1
ATOM         413 C  CG   . LEU BB   2     6          CG   . LEU BB     6    -0.671    -2.500   -19.323 1.000     10.950 .     6    LEU B    CG   .  1
ATOM         414 H  HG   . LEU BB   2     6          HG   . LEU BB     6     0.165    -2.777   -18.917 1.000     10.950 .     6    LEU B    HG   c  1
ATOM         415 C  CD1  . LEU BB   2     6          CD1  . LEU BB     6    -1.230    -1.329   -18.516 1.000     10.700 .     6    LEU B    CD1  .  1
ATOM         416 H  HD11 . LEU BB   2     6          HD11 . LEU BB     6    -0.597    -0.608   -18.533 1.000     10.700 .     6    LEU B    HD11 c  1
ATOM         417 H  HD12 . LEU BB   2     6          HD12 . LEU BB     6    -1.375    -1.614   -17.611 1.000     10.700 .     6    LEU B    HD12 c  1
ATOM         418 H  HD13 . LEU BB   2     6          HD13 . LEU BB     6    -2.060    -1.047   -18.908 1.000     10.700 .     6    LEU B    HD13 c  1
ATOM         419 C  CD2  . LEU BB   2     6          CD2  . LEU BB     6    -1.663    -3.685   -19.321 1.000     11.880 .     6    LEU B    CD2  .  1
ATOM         420 H  HD21 . LEU BB   2     6          HD21 . LEU BB     6    -2.479    -3.411   -19.747 1.000     11.880 .     6    LEU B    HD21 c  1
ATOM         421 H  HD22 . LEU BB   2     6          HD22 . LEU BB     6    -1.840    -3.943   -18.414 1.000     11.880 .     6    LEU B    HD22 c  1
ATOM         422 H  HD23 . LEU BB   2     6          HD23 . LEU BB     6    -1.273    -4.420   -19.801 1.000     11.880 .     6    LEU B    HD23 c  1
ATOM         423 C  C    . LEU BB   2     6          C    . LEU BB     6     0.319    -2.349   -23.088 1.000     10.150 .     6    LEU B    C    .  1
ATOM         424 O  O    . LEU BB   2     6          O    . LEU BB     6     0.765    -1.187   -23.153 1.000     10.830 .     6    LEU B    O    .  1
ATOM         425 H  H    . LEU BB   2     6          H    . LEU BB     6     2.297    -2.493   -21.137 1.000      8.970 .     6    LEU B    H    c  1
ATOM         426 N  N    . CYS BB   2     7          N    . CYS BB     7    -0.115    -3.036   -24.099 1.000     10.940 .     7    CYS B    N    .  1
ATOM         427 C  CA   . CYS BB   2     7          CA   . CYS BB     7     0.086    -2.523   -25.464 1.000     12.700 .     7    CYS B    CA   .  1
ATOM         428 H  HA   . CYS BB   2     7          HA   . CYS BB     7     0.346    -1.579   -25.432 1.000     12.700 .     7    CYS B    HA   c  1
ATOM         429 C  CB   . CYS BB   2     7          CB   . CYS BB     7     1.171    -3.270   -26.161 1.000     14.010 .     7    CYS B    CB   .  1
ATOM         430 H  HB3  . CYS BB   2     7          HB3  . CYS BB     7     1.255    -2.933   -27.067 1.000     14.010 .     7    CYS B    HB3  c  1
ATOM         431 H  HB2  . CYS BB   2     7          HB2  . CYS BB     7     0.929    -4.208   -26.207 1.000     14.010 .     7    CYS B    HB2  c  1
ATOM         432 S  SG   . CYS BB   2     7          SG   . CYS BB     7     2.842    -3.169   -25.378 1.000     15.620 .     7    CYS B    SG   .  1
ATOM         433 C  C    . CYS BB   2     7          C    . CYS BB     7    -1.196    -2.679   -26.251 1.000     13.130 .     7    CYS B    C    .  1
ATOM         434 O  O    . CYS BB   2     7          O    . CYS BB     7    -1.949    -3.638   -26.087 1.000     12.730 .     7    CYS B    O    .  1
ATOM         435 H  H    . CYS BB   2     7          H    . CYS BB     7    -0.578    -3.907   -23.881 1.000     10.940 .     7    CYS B    H    c  1
ATOM         436 N  N    . GLY BB   2     8          N    . GLY BB     8    -1.350    -1.747   -27.180 1.000     11.580 .     8    GLY B    N    .  1
ATOM         437 C  CA   . GLY BB   2     8          CA   . GLY BB     8    -2.451    -1.840   -28.121 1.000     12.830 .     8    GLY B    CA   .  1
ATOM         438 H  HA3  . GLY BB   2     8          HA3  . GLY BB     8    -2.345    -2.627   -28.679 1.000     12.830 .     8    GLY B    HA3  c  1
ATOM         439 H  HA2  . GLY BB   2     8          HA2  . GLY BB     8    -2.438    -1.079   -28.723 1.000     12.830 .     8    GLY B    HA2  c  1
ATOM         440 C  C    . GLY BB   2     8          C    . GLY BB     8    -3.783    -1.902   -27.493 1.000     11.640 .     8    GLY B    C    .  1
ATOM         441 O  O    . GLY BB   2     8          O    . GLY BB     8    -4.116    -1.127   -26.601 1.000     12.470 .     8    GLY B    O    .  1
ATOM         442 H  H    . GLY BB   2     8          H    . GLY BB     8    -0.667    -1.003   -27.175 1.000     11.580 .     8    GLY B    H    c  1
ATOM         443 N  N    . SER BB   2     9          N    . SER BB     9    -4.597    -2.849   -27.967 1.000     12.330 .     9    SER B    N    .  1
ATOM         444 C  CA   . SER BB   2     9          CA   . SER BB     9    -5.961    -2.980   -27.422 1.000     12.570 .     9    SER B    CA   .  1
ATOM         445 H  HA   . SER BB   2     9          HA   . SER BB     9    -6.470    -2.160   -27.592 1.000     12.570 .     9    SER B    HA   c  1
ATOM         446 C  CB   . SER BB   2     9          CB   . SER BB     9    -6.743    -4.077   -28.209 1.000     14.910 .     9    SER B    CB   .  1
ATOM         447 H  HB3  . SER BB   2     9          HB3  . SER BB     9    -6.592    -3.952   -29.159 1.000     14.910 .     9    SER B    HB3  c  1
ATOM         448 H  HB2  . SER BB   2     9          HB2  . SER BB     9    -7.689    -3.992   -28.014 1.000     14.910 .     9    SER B    HB2  c  1
ATOM         449 O  OG   . SER BB   2     9          OG   . SER BB     9    -6.263    -5.326   -27.793 1.000     20.940 .     9    SER B    OG   .  1
ATOM         450 H  HG   . SER BB   2     9          HG   . SER BB     9    -6.657    -5.925   -28.191 0.000     20.940 .     9    SER B    HG   c  1
ATOM         451 C  C    . SER BB   2     9          C    . SER BB     9    -5.933    -3.249   -25.892 1.000     12.400 .     9    SER B    C    .  1
ATOM         452 O  O    . SER BB   2     9          O    . SER BB     9    -6.895    -2.840   -25.175 1.000     12.230 .     9    SER B    O    .  1
ATOM         453 H  H    . SER BB   2     9          H    . SER BB     9    -4.216    -3.437   -28.694 1.000     12.330 .     9    SER B    H    c  1
ATOM         454 N  N    . HIS BB   2    10          N    . HIS BB    10    -4.880    -3.853   -25.360 1.000     11.610 .    10    HIS B    N    .  1
ATOM         455 C  CA   . HIS BB   2    10          CA   . HIS BB    10    -4.822    -4.135   -23.928 1.000     11.780 .    10    HIS B    CA   .  1
ATOM         456 H  HA   . HIS BB   2    10          HA   . HIS BB    10    -5.644    -4.585   -23.642 1.000     11.780 .    10    HIS B    HA   c  1
ATOM         457 C  CB   . HIS BB   2    10          CB   . HIS BB    10    -3.666    -5.055   -23.554 1.000     14.240 .    10    HIS B    CB   .  1
ATOM         458 H  HB3  . HIS BB   2    10          HB3  . HIS BB    10    -3.643    -5.158   -22.590 1.000     14.240 .    10    HIS B    HB3  c  1
ATOM         459 H  HB2  . HIS BB   2    10          HB2  . HIS BB    10    -2.834    -4.652   -23.847 1.000     14.240 .    10    HIS B    HB2  c  1
ATOM         460 C  CG   . HIS BB   2    10          CG   . HIS BB    10    -3.750    -6.417   -24.156 1.000     20.430 .    10    HIS B    CG   .  1
ATOM         461 N  ND1  . HIS BB   2    10          ND1  . HIS BB    10    -4.901    -7.155   -24.186 1.000     26.770 .    10    HIS B    ND1  .  1
ATOM         462 H  HD1  . HIS BB   2    10          HD1  . HIS BB    10    -5.655    -6.915   -23.849 1.000     26.770 .    10    HIS B    HD1  c  1
ATOM         463 C  CE1  . HIS BB   2    10          CE1  . HIS BB    10    -4.693    -8.292   -24.808 1.000     27.340 .    10    HIS B    CE1  .  1
ATOM         464 H  HE1  . HIS BB   2    10          HE1  . HIS BB    10    -5.335    -8.943   -24.981 1.000     27.340 .    10    HIS B    HE1  c  1
ATOM         465 N  NE2  . HIS BB   2    10          NE2  . HIS BB    10    -3.429    -8.346   -25.139 1.000     28.610 .    10    HIS B    NE2  .  1
ATOM         466 H  HE2  . HIS BB   2    10          HE2  . HIS BB    10    -3.047    -9.000   -25.546 1.000     28.610 .    10    HIS B    HE2  c  1
ATOM         467 C  CD2  . HIS BB   2    10          CD2  . HIS BB    10    -2.814    -7.190   -24.730 1.000     29.340 .    10    HIS B    CD2  .  1
ATOM         468 H  HD2  . HIS BB   2    10          HD2  . HIS BB    10    -1.914    -6.978   -24.831 1.000     29.340 .    10    HIS B    HD2  c  1
ATOM         469 C  C    . HIS BB   2    10          C    . HIS BB    10    -4.647    -2.816   -23.137 1.000     10.580 .    10    HIS B    C    .  1
ATOM         470 O  O    . HIS BB   2    10          O    . HIS BB    10    -5.064    -2.686   -22.055 1.000     10.980 .    10    HIS B    O    .  1
ATOM         471 H  H    . HIS BB   2    10          H    . HIS BB    10    -4.150    -4.090   -26.017 1.000     11.610 .    10    HIS B    H    c  1
ATOM         472 N  N    . LEU BB   2    11          N    . LEU BB    11    -3.923    -1.895   -23.738 1.000     10.300 .    11    LEU B    N    .  1
ATOM         473 C  CA   . LEU BB   2    11          CA   . LEU BB    11    -3.718    -0.584   -23.124 1.000      9.320 .    11    LEU B    CA   .  1
ATOM         474 H  HA   . LEU BB   2    11          HA   . LEU BB    11    -3.388    -0.691   -22.208 1.000      9.320 .    11    LEU B    HA   c  1
ATOM         475 C  CB   . LEU BB   2    11          CB   . LEU BB    11    -2.585     0.206   -23.842 1.000      9.220 .    11    LEU B    CB   .  1
ATOM         476 H  HB3  . LEU BB   2    11          HB3  . LEU BB    11    -2.838     0.350   -24.767 1.000      9.220 .    11    LEU B    HB3  c  1
ATOM         477 H  HB2  . LEU BB   2    11          HB2  . LEU BB    11    -1.784    -0.341   -23.865 1.000      9.220 .    11    LEU B    HB2  c  1
ATOM         478 C  CG   . LEU BB   2    11          CG   . LEU BB    11    -2.175     1.549   -23.293 1.000      9.760 .    11    LEU B    CG   .  1
ATOM         479 H  HG   . LEU BB   2    11          HG   . LEU BB    11    -2.921     2.164   -23.373 1.000      9.760 .    11    LEU B    HG   c  1
ATOM         480 C  CD1  . LEU BB   2    11          CD1  . LEU BB    11    -1.782     1.443   -21.844 1.000     10.510 .    11    LEU B    CD1  .  1
ATOM         481 H  HD11 . LEU BB   2    11          HD11 . LEU BB    11    -2.531     1.117   -21.340 1.000     10.510 .    11    LEU B    HD11 c  1
ATOM         482 H  HD12 . LEU BB   2    11          HD12 . LEU BB    11    -1.528     2.312   -21.525 1.000     10.510 .    11    LEU B    HD12 c  1
ATOM         483 H  HD13 . LEU BB   2    11          HD13 . LEU BB    11    -1.043     0.835   -21.764 1.000     10.510 .    11    LEU B    HD13 c  1
ATOM         484 C  CD2  . LEU BB   2    11          CD2  . LEU BB    11    -0.974     2.077   -24.150 1.000      9.820 .    11    LEU B    CD2  .  1
ATOM         485 H  HD21 . LEU BB   2    11          HD21 . LEU BB    11    -0.247     1.454   -24.086 1.000      9.820 .    11    LEU B    HD21 c  1
ATOM         486 H  HD22 . LEU BB   2    11          HD22 . LEU BB    11    -0.700     2.933   -23.811 1.000      9.820 .    11    LEU B    HD22 c  1
ATOM         487 H  HD23 . LEU BB   2    11          HD23 . LEU BB    11    -1.255     2.161   -25.064 1.000      9.820 .    11    LEU B    HD23 c  1
ATOM         488 C  C    . LEU BB   2    11          C    . LEU BB    11    -5.006     0.246   -23.082 1.000     10.090 .    11    LEU B    C    .  1
ATOM         489 O  O    . LEU BB   2    11          O    . LEU BB    11    -5.365     0.826   -22.035 1.000      8.850 .    11    LEU B    O    .  1
ATOM         490 H  H    . LEU BB   2    11          H    . LEU BB    11    -3.538    -2.172   -24.630 1.000     10.300 .    11    LEU B    H    c  1
ATOM         491 N  N    . VAL BB   2    12          N    . VAL BB    12    -5.768     0.264   -24.194 1.000     10.210 .    12    VAL B    N    .  1
ATOM         492 C  CA   . VAL BB   2    12          CA   . VAL BB    12    -7.000     1.035   -24.160 1.000     11.520 .    12    VAL B    CA   .  1
ATOM         493 H  HA   . VAL BB   2    12          HA   . VAL BB    12    -6.820     1.940   -23.831 1.000     11.520 .    12    VAL B    HA   c  1
ATOM         494 C  CB   . VAL BB   2    12          CB   . VAL BB    12    -7.537     1.343   -25.573 1.000     14.920 .    12    VAL B    CB   .  1
ATOM         495 H  HB   . VAL BB   2    12          HB   . VAL BB    12    -6.784     1.565   -26.159 1.000     14.920 .    12    VAL B    HB   c  1
ATOM         496 C  CG1  . VAL BB   2    12          CG1  . VAL BB    12    -8.158     0.170   -26.129 1.000     14.370 .    12    VAL B    CG1  .  1
ATOM         497 H  HG11 . VAL BB   2    12          HG11 . VAL BB    12    -7.507    -0.533   -26.182 1.000     14.370 .    12    VAL B    HG11 c  1
ATOM         498 H  HG12 . VAL BB   2    12          HG12 . VAL BB    12    -8.486     0.376   -27.008 1.000     14.370 .    12    VAL B    HG12 c  1
ATOM         499 H  HG13 . VAL BB   2    12          HG13 . VAL BB    12    -8.885    -0.097   -25.562 1.000     14.370 .    12    VAL B    HG13 c  1
ATOM         500 C  CG2  . VAL BB   2    12          CG2  . VAL BB    12    -8.484     2.553   -25.547 1.000     16.210 .    12    VAL B    CG2  .  1
ATOM         501 H  HG21 . VAL BB   2    12          HG21 . VAL BB    12    -9.224     2.358   -24.968 1.000     16.210 .    12    VAL B    HG21 c  1
ATOM         502 H  HG22 . VAL BB   2    12          HG22 . VAL BB    12    -8.803     2.720   -26.437 1.000     16.210 .    12    VAL B    HG22 c  1
ATOM         503 H  HG23 . VAL BB   2    12          HG23 . VAL BB    12    -8.005     3.318   -25.221 1.000     16.210 .    12    VAL B    HG23 c  1
ATOM         504 C  C    . VAL BB   2    12          C    . VAL BB    12    -8.026     0.337   -23.238 1.000     11.320 .    12    VAL B    C    .  1
ATOM         505 O  O    . VAL BB   2    12          O    . VAL BB    12    -8.799     1.029   -22.551 1.000     10.230 .    12    VAL B    O    .  1
ATOM         506 H  H    . VAL BB   2    12          H    . VAL BB    12    -5.446    -0.259   -24.996 1.000     10.210 .    12    VAL B    H    c  1
ATOM         507 N  N    . GLU BB   2    13          N    . GLU BB    13    -7.987    -0.972   -23.103 1.000     10.590 .    13    GLU B    N    .  1
ATOM         508 C  CA   . GLU BB   2    13          CA   . GLU BB    13    -8.866    -1.678   -22.150 1.000     12.320 .    13    GLU B    CA   .  1
ATOM         509 H  HA   . GLU BB   2    13          HA   . GLU BB    13    -9.800    -1.424   -22.304 1.000     12.320 .    13    GLU B    HA   c  1
ATOM         510 C  CB   . GLU BB   2    13          CB   . GLU BB    13    -8.885    -3.150   -22.391 1.000     11.970 .    13    GLU B    CB   .  1
ATOM         511 H  HB3  . GLU BB   2    13          HB3  . GLU BB    13    -9.422    -3.576   -21.704 1.000     11.970 .    13    GLU B    HB3  c  1
ATOM         512 H  HB2  . GLU BB   2    13          HB2  . GLU BB    13    -7.979    -3.491   -22.332 1.000     11.970 .    13    GLU B    HB2  c  1
ATOM         513 C  CG   . GLU BB   2    13          CG   . GLU BB    13    -9.485    -3.437   -23.808 1.000     15.960 .    13    GLU B    CG   .  1
ATOM         514 H  HG3  . GLU BB   2    13          HG3  . GLU BB    13    -8.933    -3.005   -24.478 0.000     15.960 .    13    GLU B    HG3  c  1
ATOM         515 H  HG2  . GLU BB   2    13          HG2  . GLU BB    13   -10.390    -3.090   -23.844 1.000     15.960 .    13    GLU B    HG2  c  1
ATOM         519 C  C    . GLU BB   2    13          C    . GLU BB    13    -8.482    -1.340   -20.715 1.000      8.980 .    13    GLU B    C    .  1
ATOM         520 O  O    . GLU BB   2    13          O    . GLU BB    13    -9.368    -1.206   -19.862 1.000      8.910 .    13    GLU B    O    .  1
ATOM         521 H  H    . GLU BB   2    13          H    . GLU BB    13    -7.313    -1.428   -23.701 1.000     10.590 .    13    GLU B    H    c  1
ATOM         522 N  N    . ALA BB   2    14          N    . ALA BB    14    -7.183    -1.172   -20.446 1.000      8.460 .    14    ALA B    N    .  1
ATOM         523 C  CA   . ALA BB   2    14          CA   . ALA BB    14    -6.734    -0.735   -19.114 1.000      7.170 .    14    ALA B    CA   .  1
ATOM         524 H  HA   . ALA BB   2    14          HA   . ALA BB    14    -7.021    -1.381   -18.435 1.000      7.170 .    14    ALA B    HA   c  1
ATOM         525 C  CB   . ALA BB   2    14          CB   . ALA BB    14    -5.224    -0.770   -19.092 1.000      7.720 .    14    ALA B    CB   .  1
ATOM         526 H  HB1  . ALA BB   2    14          HB1  . ALA BB    14    -4.930    -1.667   -19.265 1.000      7.720 .    14    ALA B    HB1  c  1
ATOM         527 H  HB2  . ALA BB   2    14          HB2  . ALA BB    14    -4.917    -0.488   -18.227 1.000      7.720 .    14    ALA B    HB2  c  1
ATOM         528 H  HB3  . ALA BB   2    14          HB3  . ALA BB    14    -4.888    -0.178   -19.769 1.000      7.720 .    14    ALA B    HB3  c  1
ATOM         529 C  C    . ALA BB   2    14          C    . ALA BB    14    -7.290     0.617   -18.769 1.000      8.040 .    14    ALA B    C    .  1
ATOM         530 O  O    . ALA BB   2    14          O    . ALA BB    14    -7.742     0.911   -17.631 1.000      8.860 .    14    ALA B    O    .  1
ATOM         531 H  H    . ALA BB   2    14          H    . ALA BB    14    -6.564    -1.368   -21.220 1.000      8.460 .    14    ALA B    H    c  1
ATOM         532 N  N    . LEU BB   2    15          N    . LEU BB    15    -7.246     1.560   -19.718 1.000      8.330 .    15    LEU B    N    .  1
ATOM         533 C  CA   . LEU BB   2    15          CA   . LEU BB    15    -7.807     2.880   -19.507 1.000      7.890 .    15    LEU B    CA   .  1
ATOM         534 H  HA   . LEU BB   2    15          HA   . LEU BB    15    -7.393     3.299   -18.724 1.000      7.890 .    15    LEU B    HA   c  1
ATOM         535 C  CB   . LEU BB   2    15          CB   . LEU BB    15    -7.542     3.827   -20.685 1.000      8.900 .    15    LEU B    CB   .  1
ATOM         536 H  HB3  . LEU BB   2    15          HB3  . LEU BB    15    -8.133     4.593   -20.614 1.000      8.900 .    15    LEU B    HB3  c  1
ATOM         537 H  HB2  . LEU BB   2    15          HB2  . LEU BB    15    -7.782     3.378   -21.511 1.000      8.900 .    15    LEU B    HB2  c  1
ATOM         538 C  CG   . LEU BB   2    15          CG   . LEU BB    15    -6.129     4.327   -20.808 1.000      9.900 .    15    LEU B    CG   .  1
ATOM         539 H  HG   . LEU BB   2    15          HG   . LEU BB    15    -5.521     3.574   -20.744 1.000      9.900 .    15    LEU B    HG   c  1
ATOM         540 C  CD1  . LEU BB   2    15          CD1  . LEU BB    15    -5.942     5.116   -22.077 1.000     12.650 .    15    LEU B    CD1  .  1
ATOM         541 H  HD11 . LEU BB   2    15          HD11 . LEU BB    15    -6.137     4.551   -22.828 1.000     12.650 .    15    LEU B    HD11 c  1
ATOM         542 H  HD12 . LEU BB   2    15          HD12 . LEU BB    15    -5.032     5.419   -22.126 1.000     12.650 .    15    LEU B    HD12 c  1
ATOM         543 H  HD13 . LEU BB   2    15          HD13 . LEU BB    15    -6.538     5.868   -22.068 1.000     12.650 .    15    LEU B    HD13 c  1
ATOM         544 C  CD2  . LEU BB   2    15          CD2  . LEU BB    15    -5.797     5.290   -19.689 1.000     10.950 .    15    LEU B    CD2  .  1
ATOM         545 H  HD21 . LEU BB   2    15          HD21 . LEU BB    15    -6.397     6.038   -19.732 1.000     10.950 .    15    LEU B    HD21 c  1
ATOM         546 H  HD22 . LEU BB   2    15          HD22 . LEU BB    15    -4.892     5.592   -19.795 1.000     10.950 .    15    LEU B    HD22 c  1
ATOM         547 H  HD23 . LEU BB   2    15          HD23 . LEU BB    15    -5.896     4.838   -18.848 1.000     10.950 .    15    LEU B    HD23 c  1
ATOM         548 C  C    . LEU BB   2    15          C    . LEU BB    15    -9.312     2.827   -19.293 1.000      7.560 .    15    LEU B    C    .  1
ATOM         549 O  O    . LEU BB   2    15          O    . LEU BB    15    -9.860     3.530   -18.432 1.000      9.340 .    15    LEU B    O    .  1
ATOM         550 H  H    . LEU BB   2    15          H    . LEU BB    15    -6.794     1.263   -20.571 1.000      8.330 .    15    LEU B    H    c  1
ATOM         551 N  N    . TYR BB   2    16          N    . TYR BB    16    -9.994     1.991   -20.056 1.000      7.320 .    16    TYR B    N    .  1
ATOM         552 C  CA   . TYR BB   2    16          CA   . TYR BB    16   -11.412     1.834   -19.896 1.000      8.320 .    16    TYR B    CA   .  1
ATOM         553 H  HA   . TYR BB   2    16          HA   . TYR BB    16   -11.869     2.674   -20.112 1.000      8.320 .    16    TYR B    HA   c  1
ATOM         554 C  CB   . TYR BB   2    16          CB   . TYR BB    16   -11.973     0.744   -20.866 1.000     10.050 .    16    TYR B    CB   .  1
ATOM         555 H  HB3  . TYR BB   2    16          HB3  . TYR BB    16   -11.412    -0.045   -20.813 1.000     10.050 .    16    TYR B    HB3  c  1
ATOM         556 H  HB2  . TYR BB   2    16          HB2  . TYR BB    16   -11.948     1.086   -21.774 1.000     10.050 .    16    TYR B    HB2  c  1
ATOM         557 C  CG   . TYR BB   2    16          CG   . TYR BB    16   -13.374     0.318   -20.585 1.000      9.470 .    16    TYR B    CG   .  1
ATOM         558 C  CD1  . TYR BB   2    16          CD1  . TYR BB    16   -14.396     1.120   -20.917 1.000     12.800 .    16    TYR B    CD1  .  1
ATOM         559 H  HD1  . TYR BB   2    16          HD1  . TYR BB    16   -14.222     1.929   -21.342 1.000     12.800 .    16    TYR B    HD1  c  1
ATOM         560 C  CE1  . TYR BB   2    16          CE1  . TYR BB    16   -15.689     0.767   -20.640 1.000     14.220 .    16    TYR B    CE1  .  1
ATOM         561 H  HE1  . TYR BB   2    16          HE1  . TYR BB    16   -16.387     1.343   -20.855 1.000     14.220 .    16    TYR B    HE1  c  1
ATOM         562 C  CZ   . TYR BB   2    16          CZ   . TYR BB    16   -15.934    -0.412   -20.059 1.000     13.630 .    16    TYR B    CZ   .  1
ATOM         563 O  OH   . TYR BB   2    16          OH   . TYR BB    16   -17.234    -0.787   -19.808 1.000     19.060 .    16    TYR B    OH   .  1
ATOM         564 H  HH   . TYR BB   2    16          HH   . TYR BB    16   -17.657    -0.822   -20.510 0.000     19.060 .    16    TYR B    HH   c  1
ATOM         565 C  CE2  . TYR BB   2    16          CE2  . TYR BB    16   -14.929    -1.245   -19.784 1.000     13.190 .    16    TYR B    CE2  .  1
ATOM         566 H  HE2  . TYR BB   2    16          HE2  . TYR BB    16   -15.102    -2.082   -19.417 1.000     13.190 .    16    TYR B    HE2  c  1
ATOM         567 C  CD2  . TYR BB   2    16          CD2  . TYR BB    16   -13.653    -0.873   -20.039 1.000     12.480 .    16    TYR B    CD2  .  1
ATOM         568 H  HD2  . TYR BB   2    16          HD2  . TYR BB    16   -12.958    -1.455   -19.831 1.000     12.480 .    16    TYR B    HD2  c  1
ATOM         569 C  C    . TYR BB   2    16          C    . TYR BB    16   -11.740     1.425   -18.442 1.000      8.500 .    16    TYR B    C    .  1
ATOM         570 O  O    . TYR BB   2    16          O    . TYR BB    16   -12.593     1.972   -17.844 1.000     10.080 .    16    TYR B    O    .  1
ATOM         571 H  H    . TYR BB   2    16          H    . TYR BB    16    -9.439     1.492   -20.737 1.000      7.320 .    16    TYR B    H    c  1
ATOM         572 N  N    . LEU BB   2    17          N    . LEU BB    17   -11.003     0.462   -17.915 1.000      8.180 .    17    LEU B    N    .  1
ATOM         573 C  CA   . LEU BB   2    17          CA   . LEU BB    17   -11.161    -0.021   -16.524 1.000      7.900 .    17    LEU B    CA   .  1
ATOM         574 H  HA   . LEU BB   2    17          HA   . LEU BB    17   -12.079    -0.331   -16.379 1.000      7.900 .    17    LEU B    HA   c  1
ATOM         575 C  CB   . LEU BB   2    17          CB   . LEU BB    17   -10.302    -1.225   -16.312 1.000      8.200 .    17    LEU B    CB   .  1
ATOM         576 H  HB3  . LEU BB   2    17          HB3  . LEU BB    17    -9.382    -0.997   -16.520 1.000      8.200 .    17    LEU B    HB3  c  1
ATOM         577 H  HB2  . LEU BB   2    17          HB2  . LEU BB    17   -10.559    -1.912   -16.947 1.000      8.200 .    17    LEU B    HB2  c  1
ATOM         578 C  CG   . LEU BB   2    17          CG   . LEU BB    17   -10.288    -1.896   -14.912 1.000      8.570 .    17    LEU B    CG   .  1
ATOM         579 H  HG   . LEU BB   2    17          HG   . LEU BB    17   -10.000    -1.245   -14.253 1.000      8.570 .    17    LEU B    HG   c  1
ATOM         580 C  CD1  . LEU BB   2    17          CD1  . LEU BB    17   -11.695    -2.320   -14.463 1.000      8.660 .    17    LEU B    CD1  .  1
ATOM         581 H  HD11 . LEU BB   2    17          HD11 . LEU BB    17   -12.257    -1.543   -14.421 1.000      8.660 .    17    LEU B    HD11 c  1
ATOM         582 H  HD12 . LEU BB   2    17          HD12 . LEU BB    17   -11.637    -2.727   -13.596 1.000      8.660 .    17    LEU B    HD12 c  1
ATOM         583 H  HD13 . LEU BB   2    17          HD13 . LEU BB    17   -12.050    -2.948   -15.097 1.000      8.660 .    17    LEU B    HD13 c  1
ATOM         584 C  CD2  . LEU BB   2    17          CD2  . LEU BB    17    -9.308    -3.038   -14.931 1.000      9.300 .    17    LEU B    CD2  .  1
ATOM         585 H  HD21 . LEU BB   2    17          HD21 . LEU BB    17    -9.582    -3.674   -15.597 1.000      9.300 .    17    LEU B    HD21 c  1
ATOM         586 H  HD22 . LEU BB   2    17          HD22 . LEU BB    17    -9.298    -3.456   -14.067 1.000      9.300 .    17    LEU B    HD22 c  1
ATOM         587 H  HD23 . LEU BB   2    17          HD23 . LEU BB    17    -8.435    -2.698   -15.141 1.000      9.300 .    17    LEU B    HD23 c  1
ATOM         588 C  C    . LEU BB   2    17          C    . LEU BB    17   -10.849     1.065   -15.494 1.000      8.010 .    17    LEU B    C    .  1
ATOM         589 O  O    . LEU BB   2    17          O    . LEU BB    17   -11.640     1.359   -14.568 1.000      7.760 .    17    LEU B    O    .  1
ATOM         590 H  H    . LEU BB   2    17          H    . LEU BB    17   -10.325     0.099   -18.570 1.000      8.180 .    17    LEU B    H    c  1
ATOM         591 N  N    . VAL BB   2    18          N    . VAL BB    18    -9.637     1.598   -15.565 1.000      7.700 .    18    VAL B    N    .  1
ATOM         592 C  CA   . VAL BB   2    18          CA   . VAL BB    18    -9.185     2.505   -14.478 1.000      8.490 .    18    VAL B    CA   .  1
ATOM         593 H  HA   . VAL BB   2    18          HA   . VAL BB    18    -9.344     2.088   -13.606 1.000      8.490 .    18    VAL B    HA   c  1
ATOM         594 C  CB   . VAL BB   2    18          CB   . VAL BB    18    -7.649     2.615   -14.329 1.000      9.400 .    18    VAL B    CB   .  1
ATOM         595 H  HB   . VAL BB   2    18          HB   . VAL BB    18    -7.441     3.026   -13.464 1.000      9.400 .    18    VAL B    HB   c  1
ATOM         596 C  CG1  . VAL BB   2    18          CG1  . VAL BB    18    -7.047     1.190   -14.175 1.000      9.230 .    18    VAL B    CG1  .  1
ATOM         597 H  HG11 . VAL BB   2    18          HG11 . VAL BB    18    -7.420     0.776   -13.394 1.000      9.230 .    18    VAL B    HG11 c  1
ATOM         598 H  HG12 . VAL BB   2    18          HG12 . VAL BB    18    -6.094     1.262   -14.082 1.000      9.230 .    18    VAL B    HG12 c  1
ATOM         599 H  HG13 . VAL BB   2    18          HG13 . VAL BB    18    -7.263     0.674   -14.955 1.000      9.230 .    18    VAL B    HG13 c  1
ATOM         600 C  CG2  . VAL BB   2    18          CG2  . VAL BB    18    -6.992     3.463   -15.352 1.000     11.420 .    18    VAL B    CG2  .  1
ATOM         601 H  HG21 . VAL BB   2    18          HG21 . VAL BB    18    -7.166     3.095   -16.222 1.000     11.420 .    18    VAL B    HG21 c  1
ATOM         602 H  HG22 . VAL BB   2    18          HG22 . VAL BB    18    -6.046     3.475   -15.187 1.000     11.420 .    18    VAL B    HG22 c  1
ATOM         603 H  HG23 . VAL BB   2    18          HG23 . VAL BB    18    -7.347     4.353   -15.295 1.000     11.420 .    18    VAL B    HG23 c  1
ATOM         604 C  C    . VAL BB   2    18          C    . VAL BB    18    -9.889     3.838   -14.495 1.000      8.370 .    18    VAL B    C    .  1
ATOM         605 O  O    . VAL BB   2    18          O    . VAL BB    18   -10.168     4.418   -13.459 1.000      8.300 .    18    VAL B    O    .  1
ATOM         606 H  H    . VAL BB   2    18          H    . VAL BB    18    -9.079     1.352   -16.370 1.000      7.700 .    18    VAL B    H    c  1
ATOM         607 N  N    . CYS BB   2    19          N    . CYS BB    19   -10.200     4.354   -15.690 1.000      7.610 .    19    CYS B    N    .  1
ATOM         608 C  CA   . CYS BB   2    19          CA   . CYS BB    19   -10.816     5.664   -15.804 1.000      7.940 .    19    CYS B    CA   .  1
ATOM         609 H  HA   . CYS BB   2    19          HA   . CYS BB    19   -10.363     6.300   -15.212 1.000      7.940 .    19    CYS B    HA   c  1
ATOM         610 C  CB   . CYS BB   2    19          CB   . CYS BB    19   -10.557     6.273   -17.157 1.000      8.090 .    19    CYS B    CB   .  1
ATOM         611 H  HB3  . CYS BB   2    19          HB3  . CYS BB    19   -10.975     7.148   -17.195 1.000      8.090 .    19    CYS B    HB3  c  1
ATOM         612 H  HB2  . CYS BB   2    19          HB2  . CYS BB    19   -10.961     5.713   -17.838 1.000      8.090 .    19    CYS B    HB2  c  1
ATOM         613 S  SG   . CYS BB   2    19          SG   . CYS BB    19    -8.792     6.485   -17.592 1.000      8.460 .    19    CYS B    SG   .  1
ATOM         614 C  C    . CYS BB   2    19          C    . CYS BB    19   -12.279     5.670   -15.454 1.000      8.250 .    19    CYS B    C    .  1
ATOM         615 O  O    . CYS BB   2    19          O    . CYS BB    19   -12.790     6.673   -15.009 1.000      9.020 .    19    CYS B    O    .  1
ATOM         616 H  H    . CYS BB   2    19          H    . CYS BB    19    -9.971     3.762   -16.476 1.000      7.610 .    19    CYS B    H    c  1
ATOM         617 N  N    . GLY BB   2    20          N    . GLY BB    20   -12.931     4.577   -15.728 1.000      9.820 .    20    GLY B    N    .  1
ATOM         618 C  CA   . GLY BB   2    20          CA   . GLY BB    20   -14.356     4.409   -15.342 1.000     10.170 .    20    GLY B    CA   .  1
ATOM         619 H  HA3  . GLY BB   2    20          HA3  . GLY BB    20   -14.434     4.357   -14.377 1.000     10.170 .    20    GLY B    HA3  c  1
ATOM         620 H  HA2  . GLY BB   2    20          HA2  . GLY BB    20   -14.696     3.568   -15.685 1.000     10.170 .    20    GLY B    HA2  c  1
ATOM         621 C  C    . GLY BB   2    20          C    . GLY BB    20   -15.189     5.560   -15.870 1.000     10.830 .    20    GLY B    C    .  1
ATOM         622 O  O    . GLY BB   2    20          O    . GLY BB    20   -15.039     5.926   -17.053 1.000     10.680 .    20    GLY B    O    .  1
ATOM         623 H  H    . GLY BB   2    20          H    . GLY BB    20   -12.387     3.878   -16.214 1.000      9.820 .    20    GLY B    H    c  1
ATOM         624 N  N    . GLU BB   2    21          N    . GLU BB    21   -16.012     6.136   -15.000 1.000     12.380 .    21    GLU B    N    .  1
ATOM         625 C  CA   . GLU BB   2    21          CA   . GLU BB    21   -16.943     7.179   -15.409 1.000     12.660 .    21    GLU B    CA   .  1
ATOM         626 H  HA   . GLU BB   2    21          HA   . GLU BB    21   -17.475     6.873   -16.173 1.000     12.660 .    21    GLU B    HA   c  1
ATOM         627 C  CB   . GLU BB   2    21          CB   . GLU BB    21   -17.953     7.425   -14.260 1.000     15.340 .    21    GLU B    CB   .  1
ATOM         628 H  HB3  . GLU BB   2    21          HB3  . GLU BB    21   -18.586     8.107   -14.536 1.000     15.340 .    21    GLU B    HB3  c  1
ATOM         629 H  HB2  . GLU BB   2    21          HB2  . GLU BB    21   -17.473     7.746   -13.481 1.000     15.340 .    21    GLU B    HB2  c  1
ATOM         630 C  CG   . GLU BB   2    21          CG   . GLU BB    21   -18.674     6.174   -13.928 1.000     15.720 .    21    GLU B    CG   .  1
ATOM         631 H  HG3  . GLU BB   2    21          HG3  . GLU BB    21   -18.031     5.504   -13.647 0.000     15.720 .    21    GLU B    HG3  c  1
ATOM         632 H  HG2  . GLU BB   2    21          HG2  . GLU BB    21   -19.155     5.869   -14.713 1.000     15.720 .    21    GLU B    HG2  c  1
ATOM         636 C  C    . GLU BB   2    21          C    . GLU BB    21   -16.307     8.474   -15.811 1.000     12.110 .    21    GLU B    C    .  1
ATOM         637 O  O    . GLU BB   2    21          O    . GLU BB    21   -16.973     9.322   -16.444 1.000     14.010 .    21    GLU B    O    .  1
ATOM         638 H  H    . GLU BB   2    21          H    . GLU BB    21   -15.928     5.787   -14.056 1.000     12.380 .    21    GLU B    H    c  1
ATOM         639 N  N    . ARG BB   2    22          N    . ARG BB    22   -14.993     8.646   -15.510 1.000     10.870 .    22    ARG B    N    .  1
ATOM         640 C  CA   . ARG BB   2    22          CA   . ARG BB    22   -14.258     9.862   -15.894 1.000     12.600 .    22    ARG B    CA   .  1
ATOM         641 H  HA   . ARG BB   2    22          HA   . ARG BB    22   -14.780    10.658   -15.659 1.000     12.600 .    22    ARG B    HA   c  1
ATOM         642 C  CB   . ARG BB   2    22          CB   . ARG BB    22   -12.894     9.962   -15.179 1.000     13.260 .    22    ARG B    CB   .  1
ATOM         643 H  HB3  . ARG BB   2    22          HB3  . ARG BB    22   -12.451    10.780   -15.456 1.000     13.260 .    22    ARG B    HB3  c  1
ATOM         644 H  HB2  . ARG BB   2    22          HB2  . ARG BB    22   -12.344     9.208   -15.442 1.000     13.260 .    22    ARG B    HB2  c  1
ATOM         645 C  CG   . ARG BB   2    22          CG   . ARG BB    22   -13.011     9.968   -13.658 1.000     20.480 .    22    ARG B    CG   .  1
ATOM         646 H  HG3  . ARG BB   2    22          HG3  . ARG BB    22   -13.281     9.086   -13.359 1.000     20.480 .    22    ARG B    HG3  c  1
ATOM         647 H  HG2  . ARG BB   2    22          HG2  . ARG BB    22   -13.653    10.646   -13.393 1.000     20.480 .    22    ARG B    HG2  c  1
ATOM         648 C  CD   . ARG BB   2    22          CD   . ARG BB    22   -11.631    10.311   -13.045 1.000     22.970 .    22    ARG B    CD   .  1
ATOM         649 H  HD3  . ARG BB   2    22          HD3  . ARG BB    22   -11.164    10.920   -13.639 1.000     22.970 .    22    ARG B    HD3  c  1
ATOM         650 H  HD2  . ARG BB   2    22          HD2  . ARG BB    22   -11.126     9.492   -12.925 1.000     22.970 .    22    ARG B    HD2  c  1
ATOM         651 N  NE   . ARG BB   2    22          NE   . ARG BB    22   -11.688    10.972   -11.719 1.000     27.080 .    22    ARG B    NE   .  1
ATOM         652 H  HE   . ARG BB   2    22          HE   . ARG BB    22   -11.484    11.919   -11.675 1.000     27.080 .    22    ARG B    HE   c  1
ATOM         653 C  CZ   . ARG BB   2    22          CZ   . ARG BB    22   -12.005    10.297   -10.636 1.000     23.950 .    22    ARG B    CZ   .  1
ATOM         654 N  NH1  . ARG BB   2    22          NH1  . ARG BB    22   -12.200     8.996   -10.750 1.000     27.080 .    22    ARG B    NH1  .  1
ATOM         655 H  HH11 . ARG BB   2    22          HH11 . ARG BB    22   -12.119     8.615   -11.517 1.000     27.080 .    22    ARG B    HH11 c  1
ATOM         656 H  HH12 . ARG BB   2    22          HH12 . ARG BB    22   -12.408     8.530   -10.058 1.000     27.080 .    22    ARG B    HH12 c  1
ATOM         657 N  NH2  . ARG BB   2    22          NH2  . ARG BB    22   -12.059    10.879    -9.464 1.000     32.470 .    22    ARG B    NH2  .  1
ATOM         658 H  HH21 . ARG BB   2    22          HH21 . ARG BB    22   -11.885    11.718    -9.392 1.000     32.470 .    22    ARG B    HH21 c  1
ATOM         659 H  HH22 . ARG BB   2    22          HH22 . ARG BB    22   -12.269    10.422    -8.766 1.000     32.470 .    22    ARG B    HH22 c  1
ATOM         660 C  C    . ARG BB   2    22          C    . ARG BB    22   -13.960     9.917   -17.340 1.000     10.710 .    22    ARG B    C    .  1
ATOM         661 O  O    . ARG BB   2    22          O    . ARG BB    22   -13.796    11.006   -17.940 1.000     13.440 .    22    ARG B    O    .  1
ATOM         662 H  H    . ARG BB   2    22          H    . ARG BB    22   -14.586     7.870   -15.008 1.000     10.870 .    22    ARG B    H    c  1
ATOM         663 N  N    . GLY BB   2    23          N    . GLY BB    23   -13.868     8.750   -17.965 1.000      9.290 .    23    GLY B    N    .  1
ATOM         664 C  CA   . GLY BB   2    23          CA   . GLY BB    23   -13.514     8.664   -19.408 1.000      9.980 .    23    GLY B    CA   .  1
ATOM         665 H  HA3  . GLY BB   2    23          HA3  . GLY BB    23   -14.069     9.271   -19.923 1.000      9.980 .    23    GLY B    HA3  c  1
ATOM         666 H  HA2  . GLY BB   2    23          HA2  . GLY BB    23   -13.705     7.774   -19.744 1.000      9.980 .    23    GLY B    HA2  c  1
ATOM         667 C  C    . GLY BB   2    23          C    . GLY BB    23   -12.054     8.991   -19.648 1.000      9.070 .    23    GLY B    C    .  1
ATOM         668 O  O    . GLY BB   2    23          O    . GLY BB    23   -11.326     9.230   -18.685 1.000      8.350 .    23    GLY B    O    .  1
ATOM         669 H  H    . GLY BB   2    23          H    . GLY BB    23   -14.058     7.951   -17.377 1.000      9.290 .    23    GLY B    H    c  1
ATOM         670 N  N    . PHE BB   2    24          N    . PHE BB    24   -11.725     9.090   -20.934 1.000      7.860 .    24    PHE B    N    .  1
ATOM         671 C  CA   . PHE BB   2    24          CA   . PHE BB    24   -10.381     9.372   -21.322 1.000      7.110 .    24    PHE B    CA   .  1
ATOM         672 H  HA   . PHE BB   2    24          HA   . PHE BB    24   -10.035    10.129   -20.805 1.000      7.110 .    24    PHE B    HA   c  1
ATOM         673 C  CB   . PHE BB   2    24          CB   . PHE BB    24    -9.471     8.162   -21.036 1.000      7.880 .    24    PHE B    CB   .  1
ATOM         674 H  HB3  . PHE BB   2    24          HB3  . PHE BB    24    -9.473     7.984   -20.083 1.000      7.880 .    24    PHE B    HB3  c  1
ATOM         675 H  HB2  . PHE BB   2    24          HB2  . PHE BB    24    -8.567     8.374   -21.315 1.000      7.880 .    24    PHE B    HB2  c  1
ATOM         676 C  CG   . PHE BB   2    24          CG   . PHE BB    24    -9.892     6.899   -21.746 1.000      7.220 .    24    PHE B    CG   .  1
ATOM         677 C  CD1  . PHE BB   2    24          CD1  . PHE BB    24   -10.854     6.071   -21.215 1.000      8.310 .    24    PHE B    CD1  .  1
ATOM         678 H  HD1  . PHE BB   2    24          HD1  . PHE BB    24   -11.227     6.271   -20.387 1.000      8.310 .    24    PHE B    HD1  c  1
ATOM         679 C  CE1  . PHE BB   2    24          CE1  . PHE BB    24   -11.263     4.961   -21.894 1.000      8.240 .    24    PHE B    CE1  .  1
ATOM         680 H  HE1  . PHE BB   2    24          HE1  . PHE BB    24   -11.933     4.421   -21.542 1.000      8.240 .    24    PHE B    HE1  c  1
ATOM         681 C  CZ   . PHE BB   2    24          CZ   . PHE BB    24   -10.686     4.656   -23.078 1.000      8.780 .    24    PHE B    CZ   .  1
ATOM         682 H  HZ   . PHE BB   2    24          HZ   . PHE BB    24   -10.947     3.892   -23.539 1.000      8.780 .    24    PHE B    HZ   c  1
ATOM         683 C  CE2  . PHE BB   2    24          CE2  . PHE BB    24    -9.727     5.455   -23.603 1.000      8.460 .    24    PHE B    CE2  .  1
ATOM         684 H  HE2  . PHE BB   2    24          HE2  . PHE BB    24    -9.332     5.235   -24.416 1.000      8.460 .    24    PHE B    HE2  c  1
ATOM         685 C  CD2  . PHE BB   2    24          CD2  . PHE BB    24    -9.340     6.580   -22.943 1.000      7.490 .    24    PHE B    CD2  .  1
ATOM         686 H  HD2  . PHE BB   2    24          HD2  . PHE BB    24    -8.692     7.133   -23.317 1.000      7.490 .    24    PHE B    HD2  c  1
ATOM         687 C  C    . PHE BB   2    24          C    . PHE BB    24   -10.266     9.709   -22.811 1.000      7.910 .    24    PHE B    C    .  1
ATOM         688 O  O    . PHE BB   2    24          O    . PHE BB    24   -11.096     9.421   -23.563 1.000      9.570 .    24    PHE B    O    .  1
ATOM         689 H  H    . PHE BB   2    24          H    . PHE BB    24   -12.487     8.952   -21.582 1.000      7.860 .    24    PHE B    H    c  1
ATOM         690 N  N    . PHE BB   2    25          N    . PHE BB    25    -9.140    10.303   -23.136 1.000      6.540 .    25    PHE B    N    .  1
ATOM         691 C  CA   . PHE BB   2    25          CA   . PHE BB    25    -8.689    10.468   -24.502 1.000      7.370 .    25    PHE B    CA   .  1
ATOM         692 H  HA   . PHE BB   2    25          HA   . PHE BB    25    -9.437    10.333   -25.121 1.000      7.370 .    25    PHE B    HA   c  1
ATOM         693 C  CB   . PHE BB   2    25          CB   . PHE BB    25    -8.149    11.891   -24.699 1.000      7.770 .    25    PHE B    CB   .  1
ATOM         694 H  HB3  . PHE BB   2    25          HB3  . PHE BB    25    -7.362    12.010   -24.145 1.000      7.770 .    25    PHE B    HB3  c  1
ATOM         695 H  HB2  . PHE BB   2    25          HB2  . PHE BB    25    -8.827    12.527   -24.423 1.000      7.770 .    25    PHE B    HB2  c  1
ATOM         696 C  CG   . PHE BB   2    25          CG   . PHE BB    25    -7.761    12.222   -26.129 1.000      8.790 .    25    PHE B    CG   .  1
ATOM         697 C  CD1  . PHE BB   2    25          CD1  . PHE BB    25    -8.694    12.612   -26.987 1.000     10.780 .    25    PHE B    CD1  .  1
ATOM         698 H  HD1  . PHE BB   2    25          HD1  . PHE BB    25    -9.577    12.685   -26.705 1.000     10.780 .    25    PHE B    HD1  c  1
ATOM         699 C  CE1  . PHE BB   2    25          CE1  . PHE BB    25    -8.392    12.907   -28.268 1.000     10.440 .    25    PHE B    CE1  .  1
ATOM         700 H  HE1  . PHE BB   2    25          HE1  . PHE BB    25    -9.064    13.168   -28.856 1.000     10.440 .    25    PHE B    HE1  c  1
ATOM         701 C  CZ   . PHE BB   2    25          CZ   . PHE BB    25    -7.119    12.826   -28.707 1.000     11.310 .    25    PHE B    CZ   .  1
ATOM         702 H  HZ   . PHE BB   2    25          HZ   . PHE BB    25    -6.917    13.036   -29.590 1.000     11.310 .    25    PHE B    HZ   c  1
ATOM         703 C  CE2  . PHE BB   2    25          CE2  . PHE BB    25    -6.155    12.436   -27.841 1.000     11.900 .    25    PHE B    CE2  .  1
ATOM         704 H  HE2  . PHE BB   2    25          HE2  . PHE BB    25    -5.270    12.385   -28.122 1.000     11.900 .    25    PHE B    HE2  c  1
ATOM         705 C  CD2  . PHE BB   2    25          CD2  . PHE BB    25    -6.479    12.123   -26.574 1.000     10.250 .    25    PHE B    CD2  .  1
ATOM         706 H  HD2  . PHE BB   2    25          HD2  . PHE BB    25    -5.817    11.833   -25.988 1.000     10.250 .    25    PHE B    HD2  c  1
ATOM         707 C  C    . PHE BB   2    25          C    . PHE BB    25    -7.570     9.469   -24.843 1.000      7.250 .    25    PHE B    C    .  1
ATOM         708 O  O    . PHE BB   2    25          O    . PHE BB    25    -6.748     9.192   -24.063 1.000      8.140 .    25    PHE B    O    .  1
ATOM         709 H  H    . PHE BB   2    25          H    . PHE BB    25    -8.632    10.628   -22.326 1.000      6.540 .    25    PHE B    H    c  1
ATOM         710 N  N    . PHE BB   2    26          N    . PHE BB    26    -7.615     8.940   -26.054 1.000      7.590 .    26    PHE B    N    .  1
ATOM         711 C  CA   . PHE BB   2    26          CA   . PHE BB    26    -6.541     8.053   -26.484 1.000      8.200 .    26    PHE B    CA   .  1
ATOM         712 H  HA   . PHE BB   2    26          HA   . PHE BB    26    -5.706     8.295   -26.033 1.000      8.200 .    26    PHE B    HA   c  1
ATOM         713 C  CB   . PHE BB   2    26          CB   . PHE BB    26    -6.900     6.592   -26.137 1.000      8.930 .    26    PHE B    CB   .  1
ATOM         714 H  HB3  . PHE BB   2    26          HB3  . PHE BB    26    -7.670     6.323   -26.662 1.000      8.930 .    26    PHE B    HB3  c  1
ATOM         715 H  HB2  . PHE BB   2    26          HB2  . PHE BB    26    -7.127     6.538   -25.196 1.000      8.930 .    26    PHE B    HB2  c  1
ATOM         716 C  CG   . PHE BB   2    26          CG   . PHE BB    26    -5.805     5.591   -26.396 1.000      9.550 .    26    PHE B    CG   .  1
ATOM         717 C  CD1  . PHE BB   2    26          CD1  . PHE BB    26    -4.725     5.500   -25.581 1.000     10.570 .    26    PHE B    CD1  .  1
ATOM         718 H  HD1  . PHE BB   2    26          HD1  . PHE BB    26    -4.658     6.060   -24.841 1.000     10.570 .    26    PHE B    HD1  c  1
ATOM         719 C  CE1  . PHE BB   2    26          CE1  . PHE BB    26    -3.722     4.595   -25.825 1.000     13.880 .    26    PHE B    CE1  .  1
ATOM         720 H  HE1  . PHE BB   2    26          HE1  . PHE BB    26    -2.980     4.562   -25.266 1.000     13.880 .    26    PHE B    HE1  c  1
ATOM         721 C  CZ   . PHE BB   2    26          CZ   . PHE BB    26    -3.810     3.744   -26.885 1.000     12.490 .    26    PHE B    CZ   .  1
ATOM         722 H  HZ   . PHE BB   2    26          HZ   . PHE BB    26    -3.143     3.113   -27.032 1.000     12.490 .    26    PHE B    HZ   c  1
ATOM         723 C  CE2  . PHE BB   2    26          CE2  . PHE BB    26    -4.885     3.840   -27.712 1.000     11.740 .    26    PHE B    CE2  .  1
ATOM         724 H  HE2  . PHE BB   2    26          HE2  . PHE BB    26    -4.951     3.285   -28.456 1.000     11.740 .    26    PHE B    HE2  c  1
ATOM         725 C  CD2  . PHE BB   2    26          CD2  . PHE BB    26    -5.883     4.752   -27.462 1.000     10.380 .    26    PHE B    CD2  .  1
ATOM         726 H  HD2  . PHE BB   2    26          HD2  . PHE BB    26    -6.619     4.795   -28.028 1.000     10.380 .    26    PHE B    HD2  c  1
ATOM         727 C  C    . PHE BB   2    26          C    . PHE BB    26    -6.300     8.104   -27.992 1.000      9.410 .    26    PHE B    C    .  1
ATOM         728 O  O    . PHE BB   2    26          O    . PHE BB    26    -7.217     8.208   -28.742 1.000      8.680 .    26    PHE B    O    .  1
ATOM         729 H  H    . PHE BB   2    26          H    . PHE BB    26    -8.411     9.188   -26.624 1.000      7.590 .    26    PHE B    H    c  1
ATOM         730 N  N    . THR BB   2    27          N    . THR BB    27    -5.033     7.996   -28.359 1.000     10.670 .    27    THR B    N    .  1
ATOM         731 C  CA   . THR BB   2    27          CA   . THR BB    27    -4.684     7.914   -29.806 1.000     10.880 .    27    THR B    CA   .  1
ATOM         732 H  HA   . THR BB   2    27          HA   . THR BB    27    -5.499     7.950   -30.350 1.000     10.880 .    27    THR B    HA   c  1
ATOM         733 C  CB   . THR BB   2    27          CB   . THR BB    27    -3.853     9.094   -30.232 1.000     12.630 .    27    THR B    CB   .  1
ATOM         734 H  HB   . THR BB   2    27          HB   . THR BB    27    -2.952     8.987   -29.888 1.000     12.630 .    27    THR B    HB   c  1
ATOM         735 O  OG1  . THR BB   2    27          OG1  . THR BB    27    -4.451    10.295   -29.765 1.000     12.730 .    27    THR B    OG1  .  1
ATOM         736 H  HG1  . THR BB   2    27          HG1  . THR BB    27    -4.001    10.941   -29.996 0.000     12.730 .    27    THR B    HG1  c  1
ATOM         737 C  CG2  . THR BB   2    27          CG2  . THR BB    27    -3.752     9.197   -31.707 1.000     12.110 .    27    THR B    CG2  .  1
ATOM         738 H  HG21 . THR BB   2    27          HG21 . THR BB    27    -3.344     8.405   -32.064 1.000     12.110 .    27    THR B    HG21 c  1
ATOM         739 H  HG22 . THR BB   2    27          HG22 . THR BB    27    -3.216     9.957   -31.947 1.000     12.110 .    27    THR B    HG22 c  1
ATOM         740 H  HG23 . THR BB   2    27          HG23 . THR BB    27    -4.627     9.298   -32.090 1.000     12.110 .    27    THR B    HG23 c  1
ATOM         741 C  C    . THR BB   2    27          C    . THR BB    27    -3.915     6.606   -30.162 1.000     13.270 .    27    THR B    C    .  1
ATOM         742 O  O    . THR BB   2    27          O    . THR BB    27    -2.754     6.514   -29.833 1.000     14.260 .    27    THR B    O    .  1
ATOM         743 H  H    . THR BB   2    27          H    . THR BB    27    -4.357     7.975   -27.609 1.000     10.670 .    27    THR B    H    c  1
ATOM         744 N  N    . PRO BB   2    28          N    . PRO BB    28    -4.602     5.656   -30.812 1.000     12.940 .    28    PRO B    N    .  1
ATOM         745 C  CA   . PRO BB   2    28          CA   . PRO BB    28    -3.958     4.401   -31.332 1.000     13.970 .    28    PRO B    CA   .  1
ATOM         746 H  HA   . PRO BB   2    28          HA   . PRO BB    28    -3.681     3.832   -30.584 1.000     13.970 .    28    PRO B    HA   c  1
ATOM         747 C  CB   . PRO BB   2    28          CB   . PRO BB    28    -5.081     3.707   -32.109 1.000     14.250 .    28    PRO B    CB   .  1
ATOM         748 H  HB3  . PRO BB   2    28          HB3  . PRO BB    28    -4.989     2.747   -32.007 1.000     14.250 .    28    PRO B    HB3  c  1
ATOM         749 H  HB2  . PRO BB   2    28          HB2  . PRO BB    28    -5.060     4.008   -33.031 1.000     14.250 .    28    PRO B    HB2  c  1
ATOM         750 C  CG   . PRO BB   2    28          CG   . PRO BB    28    -6.331     4.184   -31.436 1.000     14.070 .    28    PRO B    CG   .  1
ATOM         751 H  HG3  . PRO BB   2    28          HG3  . PRO BB    28    -6.508     3.624   -30.665 1.000     14.070 .    28    PRO B    HG3  c  1
ATOM         752 H  HG2  . PRO BB   2    28          HG2  . PRO BB    28    -7.059     4.174   -32.078 1.000     14.070 .    28    PRO B    HG2  c  1
ATOM         753 C  CD   . PRO BB   2    28          CD   . PRO BB    28    -6.051     5.615   -30.988 1.000     12.830 .    28    PRO B    CD   .  1
ATOM         754 H  HD3  . PRO BB   2    28          HD3  . PRO BB    28    -6.472     5.764   -30.127 1.000     12.830 .    28    PRO B    HD3  c  1
ATOM         755 H  HD2  . PRO BB   2    28          HD2  . PRO BB    28    -6.293     6.223   -31.704 1.000     12.830 .    28    PRO B    HD2  c  1
ATOM         756 C  C    . PRO BB   2    28          C    . PRO BB    28    -2.765     4.749   -32.183 1.000     15.420 .    28    PRO B    C    .  1
ATOM         757 O  O    . PRO BB   2    28          O    . PRO BB    28    -2.744     5.799   -32.867 1.000     15.010 .    28    PRO B    O    .  1
ATOM         758 N  N    . LYS BB   2    29          N    . LYS BB    29    -1.773     3.869   -32.186 1.000     18.380 .    29    LYS B    N    .  1
ATOM         759 C  CA   . LYS BB   2    29          CA   . LYS BB    29    -0.617     4.095   -33.077 1.000     20.870 .    29    LYS B    CA   .  1
ATOM         760 H  HA   . LYS BB   2    29          HA   . LYS BB    29    -0.431     5.055   -33.148 1.000     20.870 .    29    LYS B    HA   c  1
ATOM         761 C  CB   . LYS BB   2    29          CB   . LYS BB    29     0.610     3.435   -32.480 1.000     22.670 .    29    LYS B    CB   .  1
ATOM         762 H  HB3  . LYS BB   2    29          HB3  . LYS BB    29     1.354     3.538   -33.094 1.000     22.670 .    29    LYS B    HB3  c  1
ATOM         763 H  HB2  . LYS BB   2    29          HB2  . LYS BB    29     0.434     2.488   -32.363 1.000     22.670 .    29    LYS B    HB2  c  1
ATOM         764 C  CG   . LYS BB   2    29          CG   . LYS BB    29     0.986     4.050   -31.124 1.000     22.700 .    29    LYS B    CG   .  1
ATOM         765 H  HG3  . LYS BB   2    29          HG3  . LYS BB    29     1.622     3.468   -30.679 1.000     22.700 .    29    LYS B    HG3  c  1
ATOM         766 H  HG2  . LYS BB   2    29          HG2  . LYS BB    29     0.181     4.168   -30.597 1.000     22.700 .    29    LYS B    HG2  c  1
ATOM         767 C  CD   . LYS BB   2    29          CD   . LYS BB    29     1.644     5.423   -31.275 1.000     24.000 .    29    LYS B    CD   .  1
ATOM         768 H  HD3  . LYS BB   2    29          HD3  . LYS BB    29     1.011     6.033   -31.686 1.000     24.000 .    29    LYS B    HD3  c  1
ATOM         769 H  HD2  . LYS BB   2    29          HD2  . LYS BB    29     2.448     5.331   -31.810 1.000     24.000 .    29    LYS B    HD2  c  1
ATOM         770 C  CE   . LYS BB   2    29          CE   . LYS BB    29     2.048     6.010   -29.918 1.000     24.560 .    29    LYS B    CE   .  1
ATOM         771 H  HE3  . LYS BB   2    29          HE3  . LYS BB    29     2.778     5.487   -29.553 1.000     24.560 .    29    LYS B    HE3  c  1
ATOM         772 H  HE2  . LYS BB   2    29          HE2  . LYS BB    29     1.280     5.995   -29.326 1.000     24.560 .    29    LYS B    HE2  c  1
ATOM         773 N  NZ   . LYS BB   2    29          NZ   . LYS BB    29     2.511     7.435   -30.051 1.000     26.610 .    29    LYS B    NZ   .  1
ATOM         774 H  HZ1  . LYS BB   2    29          HZ1  . LYS BB    29     3.272     7.480   -30.635 1.000     26.610 .    29    LYS B    HZ1  c  1
ATOM         775 H  HZ2  . LYS BB   2    29          HZ2  . LYS BB    29     2.760     7.781   -29.191 1.000     26.610 .    29    LYS B    HZ2  c  1
ATOM         776 H  HZ3  . LYS BB   2    29          HZ3  . LYS BB    29     1.806     7.977   -30.414 1.000     26.610 .    29    LYS B    HZ3  c  1
ATOM         777 C  C    . LYS BB   2    29          C    . LYS BB    29    -0.904     3.528   -34.461 1.000     26.450 .    29    LYS B    C    .  1
ATOM         778 O  O    . LYS BB   2    29          O    . LYS BB    29    -0.279     3.920   -35.417 1.000     25.210 .    29    LYS B    O    .  1
ATOM         779 H  H    . LYS BB   2    29          H    . LYS BB    29    -1.867     3.078   -31.565 1.000     18.380 .    29    LYS B    H    c  1
ATOM         780 N  N    . THR BB   2    30          N    . THR BB    30    -1.924     2.672   -34.510 1.000     26.580 .    30    THR B    N    .  1
ATOM         781 C  CA   . THR BB   2    30          CA   . THR BB    30    -2.413     1.927   -35.648 1.000     33.330 .    30    THR B    CA   .  1
ATOM         782 H  HA   . THR BB   2    30          HA   . THR BB    30    -1.697     1.813   -36.307 1.000     33.330 .    30    THR B    HA   c  1
ATOM         783 C  CB   . THR BB   2    30          CB   . THR BB    30    -2.970     0.577   -35.117 1.000     35.680 .    30    THR B    CB   .  1
ATOM         784 H  HB   . THR BB   2    30          HB   . THR BB    30    -3.457     0.134   -35.830 1.000     35.680 .    30    THR B    HB   c  1
ATOM         785 O  OG1  . THR BB   2    30          OG1  . THR BB    30    -3.836     0.829   -33.981 1.000     29.740 .    30    THR B    OG1  .  1
ATOM         786 H  HG1  . THR BB   2    30          HG1  . THR BB    30    -4.135     0.121   -33.694 0.000     29.740 .    30    THR B    HG1  c  1
ATOM         787 C  CG2  . THR BB   2    30          CG2  . THR BB    30    -1.835    -0.413   -34.656 1.000     30.570 .    30    THR B    CG2  .  1
ATOM         788 H  HG21 . THR BB   2    30          HG21 . THR BB    30    -1.254    -0.612   -35.394 1.000     30.570 .    30    THR B    HG21 c  1
ATOM         789 H  HG22 . THR BB   2    30          HG22 . THR BB    30    -2.223    -1.232   -34.338 1.000     30.570 .    30    THR B    HG22 c  1
ATOM         790 H  HG23 . THR BB   2    30          HG23 . THR BB    30    -1.320    -0.016   -33.950 1.000     30.570 .    30    THR B    HG23 c  1
ATOM         791 C  C    . THR BB   2    30          C    . THR BB    30    -3.597     2.691   -36.278 1.000     36.600 .    30    THR B    C    .  1
ATOM         792 O  O    . THR BB   2    30          O    . THR BB    30    -4.048     2.324   -37.371 1.000     45.520 .    30    THR B    O    .  1
ATOM         793 H  H    . THR BB   2    30          H    . THR BB    30    -2.322     2.622   -33.583 1.000     26.580 .    30    THR B    H    c  1
ATOM         794 N  N    . GLY CC   1     1          N    . GLY CC     1     2.903   -10.349    -0.063 1.000      9.780 .     1    GLY C    N    .  1
ATOM         795 C  CA   . GLY CC   1     1          CA   . GLY CC     1     1.487   -10.125    -0.575 1.000      8.850 .     1    GLY C    CA   .  1
ATOM         796 H  HA3  . GLY CC   1     1          HA3  . GLY CC     1     0.848   -10.274     0.140 1.000      8.850 .     1    GLY C    HA3  c  1
ATOM         797 H  HA2  . GLY CC   1     1          HA2  . GLY CC     1     1.281   -10.767    -1.272 1.000      8.850 .     1    GLY C    HA2  c  1
ATOM         798 C  C    . GLY CC   1     1          C    . GLY CC     1     1.380    -8.689    -1.110 1.000      8.190 .     1    GLY C    C    .  1
ATOM         799 O  O    . GLY CC   1     1          O    . GLY CC     1     2.351    -8.130    -1.573 1.000      8.200 .     1    GLY C    O    .  1
ATOM         800 H  H1   . GLY CC   1     1          H1   . GLY CC     1     2.874   -10.572     0.870 1.000      9.780 .     1    GLY C    H1   c  1
ATOM         801 H  H2   . GLY CC   1     1          H2   . GLY CC     1     3.310   -11.069    -0.551 1.000      9.780 .     1    GLY C    H2   c  1
ATOM         802 H  H3   . GLY CC   1     1          H3   . GLY CC     1     3.418    -9.548    -0.185 1.000      9.780 .     1    GLY C    H3   c  1
ATOM         803 N  N    . ILE CC   1     2          N    . ILE CC     2     0.125    -8.210    -1.213 1.000      7.510 .     2    ILE C    N    .  1
ATOM         804 C  CA   . ILE CC   1     2          CA   . ILE CC     2    -0.126    -7.001    -1.986 1.000      7.150 .     2    ILE C    CA   .  1
ATOM         805 H  HA   . ILE CC   1     2          HA   . ILE CC     2     0.175    -7.126    -2.910 1.000      7.150 .     2    ILE C    HA   c  1
ATOM         806 C  CB   . ILE CC   1     2          CB   . ILE CC     2    -1.656    -6.749    -2.096 1.000      7.770 .     2    ILE C    CB   .  1
ATOM         807 H  HB   . ILE CC   1     2          HB   . ILE CC     2    -2.086    -7.554    -2.425 1.000      7.770 .     2    ILE C    HB   c  1
ATOM         808 C  CG1  . ILE CC   1     2          CG1  . ILE CC     2    -1.937    -5.714    -3.187 1.000      7.890 .     2    ILE C    CG1  .  1
ATOM         809 H  HG13 . ILE CC   1     2          HG13 . ILE CC     2    -1.597    -6.046    -4.032 1.000      7.890 .     2    ILE C    HG13 c  1
ATOM         810 H  HG12 . ILE CC   1     2          HG12 . ILE CC     2    -1.478    -4.889    -2.965 1.000      7.890 .     2    ILE C    HG12 c  1
ATOM         811 C  CD1  . ILE CC   1     2          CD1  . ILE CC     2    -3.446    -5.390    -3.371 1.000      8.390 .     2    ILE C    CD1  .  1
ATOM         812 H  HD11 . ILE CC   1     2          HD11 . ILE CC     2    -3.912    -6.195    -3.611 1.000      8.390 .     2    ILE C    HD11 c  1
ATOM         813 H  HD12 . ILE CC   1     2          HD12 . ILE CC     2    -3.543    -4.738    -4.069 1.000      8.390 .     2    ILE C    HD12 c  1
ATOM         814 H  HD13 . ILE CC   1     2          HD13 . ILE CC     2    -3.794    -5.043    -2.546 1.000      8.390 .     2    ILE C    HD13 c  1
ATOM         815 C  CG2  . ILE CC   1     2          CG2  . ILE CC     2    -2.236    -6.401    -0.750 1.000      8.030 .     2    ILE C    CG2  .  1
ATOM         816 H  HG21 . ILE CC   1     2          HG21 . ILE CC     2    -2.081    -7.130    -0.145 1.000      8.030 .     2    ILE C    HG21 c  1
ATOM         817 H  HG22 . ILE CC   1     2          HG22 . ILE CC     2    -3.180    -6.252    -0.845 1.000      8.030 .     2    ILE C    HG22 c  1
ATOM         818 H  HG23 . ILE CC   1     2          HG23 . ILE CC     2    -1.809    -5.606    -0.422 1.000      8.030 .     2    ILE C    HG23 c  1
ATOM         819 C  C    . ILE CC   1     2          C    . ILE CC     2     0.621    -5.784    -1.361 1.000      6.890 .     2    ILE C    C    .  1
ATOM         820 O  O    . ILE CC   1     2          O    . ILE CC     2     1.014    -4.850    -2.072 1.000      7.170 .     2    ILE C    O    .  1
ATOM         821 H  H    . ILE CC   1     2          H    . ILE CC     2    -0.590    -8.736    -0.731 1.000      7.510 .     2    ILE C    H    c  1
ATOM         822 N  N    . VAL CC   1     3          N    . VAL CC     3     0.729    -5.759    -0.025 1.000      8.150 .     3    VAL C    N    .  1
ATOM         823 C  CA   . VAL CC   1     3          CA   . VAL CC     3     1.457    -4.652     0.614 1.000      7.530 .     3    VAL C    CA   .  1
ATOM         824 H  HA   . VAL CC   1     3          HA   . VAL CC     3     1.029    -3.798     0.393 1.000      7.530 .     3    VAL C    HA   c  1
ATOM         825 C  CB   . VAL CC   1     3          CB   . VAL CC     3     1.330    -4.659     2.139 1.000      9.090 .     3    VAL C    CB   .  1
ATOM         826 H  HB   . VAL CC   1     3          HB   . VAL CC     3     1.622    -5.531     2.479 1.000      9.090 .     3    VAL C    HB   c  1
ATOM         827 C  CG1  . VAL CC   1     3          CG1  . VAL CC     3     2.251    -3.617     2.757 1.000     10.700 .     3    VAL C    CG1  .  1
ATOM         828 H  HG11 . VAL CC   1     3          HG11 . VAL CC     3     3.158    -3.820     2.516 1.000     10.700 .     3    VAL C    HG11 c  1
ATOM         829 H  HG12 . VAL CC   1     3          HG12 . VAL CC     3     2.154    -3.642     3.712 1.000     10.700 .     3    VAL C    HG12 c  1
ATOM         830 H  HG13 . VAL CC   1     3          HG13 . VAL CC     3     2.009    -2.750     2.425 1.000     10.700 .     3    VAL C    HG13 c  1
ATOM         831 C  CG2  . VAL CC   1     3          CG2  . VAL CC     3    -0.131    -4.452     2.505 1.000      9.200 .     3    VAL C    CG2  .  1
ATOM         832 H  HG21 . VAL CC   1     3          HG21 . VAL CC     3    -0.425    -3.608     2.154 1.000      9.200 .     3    VAL C    HG21 c  1
ATOM         833 H  HG22 . VAL CC   1     3          HG22 . VAL CC     3    -0.217    -4.454     3.461 1.000      9.200 .     3    VAL C    HG22 c  1
ATOM         834 H  HG23 . VAL CC   1     3          HG23 . VAL CC     3    -0.652    -5.164     2.127 1.000      9.200 .     3    VAL C    HG23 c  1
ATOM         835 C  C    . VAL CC   1     3          C    . VAL CC     3     2.914    -4.648     0.127 1.000      7.040 .     3    VAL C    C    .  1
ATOM         836 O  O    . VAL CC   1     3          O    . VAL CC     3     3.413    -3.619    -0.323 1.000      7.150 .     3    VAL C    O    .  1
ATOM         837 H  H    . VAL CC   1     3          H    . VAL CC     3     0.294    -6.519     0.478 1.000      8.150 .     3    VAL C    H    c  1
ATOM         838 N  N    . GLU CC   1     4          N    . GLU CC     4     3.598    -5.776     0.167 1.000      7.280 .     4    GLU C    N    .  1
ATOM         839 C  CA   . GLU CC   1     4          CA   . GLU CC     4     4.987    -5.798    -0.338 1.000      7.510 .     4    GLU C    CA   .  1
ATOM         840 H  HA   . GLU CC   1     4          HA   . GLU CC     4     5.539    -5.168     0.171 1.000      7.510 .     4    GLU C    HA   c  1
ATOM         841 C  CB   . GLU CC   1     4          CB   . GLU CC     4     5.642    -7.114    -0.046 1.000      8.100 .     4    GLU C    CB   .  1
ATOM         842 H  HB3  . GLU CC   1     4          HB3  . GLU CC     4     5.184    -7.812    -0.540 1.000      8.100 .     4    GLU C    HB3  c  1
ATOM         843 H  HB2  . GLU CC   1     4          HB2  . GLU CC     4     5.562    -7.303     0.902 1.000      8.100 .     4    GLU C    HB2  c  1
ATOM         844 C  CG   . GLU CC   1     4          CG   . GLU CC     4     7.110    -7.154    -0.417 1.000      9.310 .     4    GLU C    CG   .  1
ATOM         845 H  HG3  . GLU CC   1     4          HG3  . GLU CC     4     7.545    -7.857     0.091 1.000      9.310 .     4    GLU C    HG3  c  1
ATOM         846 H  HG2  . GLU CC   1     4          HG2  . GLU CC     4     7.511    -6.295    -0.212 1.000      9.310 .     4    GLU C    HG2  c  1
ATOM         847 C  CD   . GLU CC   1     4          CD   . GLU CC     4     7.366    -7.434    -1.891 1.000     11.620 .     4    GLU C    CD   .  1
ATOM         848 O  OE1  . GLU CC   1     4          OE1  . GLU CC     4     6.601    -8.133    -2.549 1.000     12.540 .     4    GLU C    OE1  .  1
ATOM         849 O  OE2  . GLU CC   1     4          OE2  . GLU CC     4     8.320    -6.877    -2.461 1.000     14.740 .     4    GLU C    OE2  .  1
ATOM         850 C  C    . GLU CC   1     4          C    . GLU CC     4     5.057    -5.427    -1.818 1.000      7.730 .     4    GLU C    C    .  1
ATOM         851 O  O    . GLU CC   1     4          O    . GLU CC     4     5.963    -4.700    -2.229 1.000      7.890 .     4    GLU C    O    .  1
ATOM         852 H  H    . GLU CC   1     4          H    . GLU CC     4     3.119    -6.578     0.550 1.000      7.280 .     4    GLU C    H    c  1
ATOM         853 N  N    . GLN CC   1     5          N    . GLN CC     5     4.152    -5.968    -2.641 1.000      7.360 .     5    GLN C    N    .  1
ATOM         854 C  CA   . GLN CC   1     5          CA   . GLN CC     5     4.329    -5.762    -4.057 1.000      7.920 .     5    GLN C    CA   .  1
ATOM         855 H  HA   . GLN CC   1     5          HA   . GLN CC     5     5.267    -5.906    -4.302 1.000      7.920 .     5    GLN C    HA   c  1
ATOM         856 C  CB   . GLN CC   1     5          CB   . GLN CC     5     3.540    -6.803    -4.886 1.000      7.900 .     5    GLN C    CB   .  1
ATOM         857 H  HB3  . GLN CC   1     5          HB3  . GLN CC     5     3.616    -6.581    -5.827 1.000      7.900 .     5    GLN C    HB3  c  1
ATOM         858 H  HB2  . GLN CC   1     5          HB2  . GLN CC     5     2.604    -6.765    -4.633 1.000      7.900 .     5    GLN C    HB2  c  1
ATOM         859 C  CG   . GLN CC   1     5          CG   . GLN CC     5     3.966    -8.249    -4.748 1.000      8.370 .     5    GLN C    CG   .  1
ATOM         860 H  HG3  . GLN CC   1     5          HG3  . GLN CC     5     3.548    -8.628    -3.959 1.000      8.370 .     5    GLN C    HG3  c  1
ATOM         861 H  HG2  . GLN CC   1     5          HG2  . GLN CC     5     4.932    -8.287    -4.667 1.000      8.370 .     5    GLN C    HG2  c  1
ATOM         862 C  CD   . GLN CC   1     5          CD   . GLN CC     5     3.555    -9.114    -5.967 1.000      9.290 .     5    GLN C    CD   .  1
ATOM         863 O  OE1  . GLN CC   1     5          OE1  . GLN CC     5     4.275    -9.186    -7.034 1.000     13.050 .     5    GLN C    OE1  .  1
ATOM         864 N  NE2  . GLN CC   1     5          NE2  . GLN CC     5     2.434    -9.620    -5.898 1.000      8.410 .     5    GLN C    NE2  .  1
ATOM         865 H  HE21 . GLN CC   1     5          HE21 . GLN CC     5     2.144   -10.112    -6.541 1.000      8.410 .     5    GLN C    HE21 c  1
ATOM         866 H  HE22 . GLN CC   1     5          HE22 . GLN CC     5     1.941    -9.481    -5.207 1.000      8.410 .     5    GLN C    HE22 c  1
ATOM         867 C  C    . GLN CC   1     5          C    . GLN CC     5     3.932    -4.361    -4.505 1.000      7.080 .     5    GLN C    C    .  1
ATOM         868 O  O    . GLN CC   1     5          O    . GLN CC     5     4.531    -3.867    -5.502 1.000      8.220 .     5    GLN C    O    .  1
ATOM         869 H  H    . GLN CC   1     5          H    . GLN CC     5     3.391    -6.493    -2.233 1.000      7.360 .     5    GLN C    H    c  1
ATOM         870 N  N    . CYS CC   1     6          N    . CYS CC     6     2.925    -3.762    -3.868 1.000      7.830 .     6    CYS C    N    .  1
ATOM         871 C  CA   . CYS CC   1     6          CA   . CYS CC     6     2.314    -2.475    -4.399 1.000      7.560 .     6    CYS C    CA   .  1
ATOM         872 H  HA   . CYS CC   1     6          HA   . CYS CC     6     2.696    -2.259    -5.275 1.000      7.560 .     6    CYS C    HA   c  1
ATOM         873 C  CB   . CYS CC   1     6          CB   . CYS CC     6     0.849    -2.643    -4.622 1.000      8.400 .     6    CYS C    CB   .  1
ATOM         874 H  HB3  . CYS CC   1     6          HB3  . CYS CC     6     0.466    -1.785    -4.864 1.000      8.400 .     6    CYS C    HB3  c  1
ATOM         875 H  HB2  . CYS CC   1     6          HB2  . CYS CC     6     0.436    -2.939    -3.796 1.000      8.400 .     6    CYS C    HB2  c  1
ATOM         876 S  SG   . CYS CC   1     6          SG   . CYS CC     6     0.409    -3.835    -5.922 1.000      8.710 .     6    CYS C    SG   .  1
ATOM         877 C  C    . CYS CC   1     6          C    . CYS CC     6     2.542    -1.281    -3.476 1.000      7.600 .     6    CYS C    C    .  1
ATOM         878 O  O    . CYS CC   1     6          O    . CYS CC     6     2.456    -0.191    -3.949 1.000      8.540 .     6    CYS C    O    .  1
ATOM         879 H  H    . CYS CC   1     6          H    . CYS CC     6     2.620    -4.232    -3.028 1.000      7.830 .     6    CYS C    H    c  1
ATOM         880 N  N    . CYS CC   1     7          N    . CYS CC     7     2.842    -1.509    -2.202 1.000      7.120 .     7    CYS C    N    .  1
ATOM         881 C  CA   . CYS CC   1     7          CA   . CYS CC     7     3.153    -0.453    -1.226 1.000      8.160 .     7    CYS C    CA   .  1
ATOM         882 H  HA   . CYS CC   1     7          HA   . CYS CC     7     2.810     0.408    -1.543 1.000      8.160 .     7    CYS C    HA   c  1
ATOM         883 C  CB   . CYS CC   1     7          CB   . CYS CC     7     2.401    -0.737     0.094 1.000      8.940 .     7    CYS C    CB   .  1
ATOM         884 H  HB3  . CYS CC   1     7          HB3  . CYS CC     7     2.662    -1.611     0.424 1.000      8.940 .     7    CYS C    HB3  c  1
ATOM         885 H  HB2  . CYS CC   1     7          HB2  . CYS CC     7     1.447    -0.750    -0.082 1.000      8.940 .     7    CYS C    HB2  c  1
ATOM         886 S  SG   . CYS CC   1     7          SG   . CYS CC     7     2.809     0.565     1.328 1.000     11.250 .     7    CYS C    SG   .  1
ATOM         887 C  C    . CYS CC   1     7          C    . CYS CC     7     4.635    -0.339    -1.006 1.000      8.630 .     7    CYS C    C    .  1
ATOM         888 O  O    . CYS CC   1     7          O    . CYS CC     7     5.247     0.730    -1.228 1.000     11.250 .     7    CYS C    O    .  1
ATOM         889 H  H    . CYS CC   1     7          H    . CYS CC     7     2.830    -2.496    -1.988 1.000      7.120 .     7    CYS C    H    c  1
ATOM         890 N  N    . THR CC   1     8          N    . THR CC     8     5.264    -1.418    -0.572 1.000      7.730 .     8    THR C    N    .  1
ATOM         891 C  CA   . THR CC   1     8          CA   . THR CC     8     6.720    -1.392    -0.336 1.000      8.760 .     8    THR C    CA   .  1
ATOM         892 H  HA   . THR CC   1     8          HA   . THR CC     8     6.943    -0.684     0.303 1.000      8.760 .     8    THR C    HA   c  1
ATOM         893 C  CB   . THR CC   1     8          CB   . THR CC     8     7.198    -2.650     0.381 1.000      8.710 .     8    THR C    CB   .  1
ATOM         894 H  HB   . THR CC   1     8          HB   . THR CC     8     7.086    -3.412    -0.209 1.000      8.710 .     8    THR C    HB   c  1
ATOM         895 O  OG1  . THR CC   1     8          OG1  . THR CC     8     6.385    -2.845     1.564 1.000      9.220 .     8    THR C    OG1  .  1
ATOM         896 H  HG1  . THR CC   1     8          HG1  . THR CC     8     6.628    -3.519     1.963 0.000      9.220 .     8    THR C    HG1  c  1
ATOM         897 C  CG2  . THR CC   1     8          CG2  . THR CC     8     8.661    -2.549     0.729 1.000     10.880 .     8    THR C    CG2  .  1
ATOM         898 H  HG21 . THR CC   1     8          HG21 . THR CC     8     9.182    -2.439    -0.070 1.000     10.880 .     8    THR C    HG21 c  1
ATOM         899 H  HG22 . THR CC   1     8          HG22 . THR CC     8     8.948    -3.348     1.178 1.000     10.880 .     8    THR C    HG22 c  1
ATOM         900 H  HG23 . THR CC   1     8          HG23 . THR CC     8     8.810    -1.796     1.305 1.000     10.880 .     8    THR C    HG23 c  1
ATOM         901 C  C    . THR CC   1     8          C    . THR CC     8     7.452    -1.146    -1.661 1.000      9.780 .     8    THR C    C    .  1
ATOM         902 O  O    . THR CC   1     8          O    . THR CC     8     8.396    -0.336    -1.729 1.000     11.470 .     8    THR C    O    .  1
ATOM         903 H  H    . THR CC   1     8          H    . THR CC     8     4.678    -2.227    -0.424 1.000      7.730 .     8    THR C    H    c  1
ATOM         904 N  N    . SER CC   1     9          N    . SER CC     9     7.064    -1.935    -2.640 1.000      9.980 .     9    SER C    N    .  1
ATOM         905 C  CA   . SER CC   1     9          CA   . SER CC     9     7.598    -1.897    -3.976 1.000     10.290 .     9    SER C    CA   .  1
ATOM         906 H  HA   . SER CC   1     9          HA   . SER CC     9     8.437    -1.390    -3.987 1.000     10.290 .     9    SER C    HA   c  1
ATOM         907 C  CB   . SER CC   1     9          CB   . SER CC     9     7.782    -3.323    -4.495 1.000     11.800 .     9    SER C    CB   .  1
ATOM         908 H  HB3  . SER CC   1     9          HB3  . SER CC     9     8.193    -3.289    -5.373 1.000     11.800 .     9    SER C    HB3  c  1
ATOM         909 H  HB2  . SER CC   1     9          HB2  . SER CC     9     6.914    -3.751    -4.556 1.000     11.800 .     9    SER C    HB2  c  1
ATOM         910 O  OG   . SER CC   1     9          OG   . SER CC     9     8.618    -4.090    -3.621 1.000     16.630 .     9    SER C    OG   .  1
ATOM         911 H  HG   . SER CC   1     9          HG   . SER CC     9     8.706    -4.851    -3.914 0.000     16.630 .     9    SER C    HG   c  1
ATOM         912 C  C    . SER CC   1     9          C    . SER CC     9     6.492    -1.218    -4.835 1.000      9.980 .     9    SER C    C    .  1
ATOM         913 O  O    . SER CC   1     9          O    . SER CC     9     5.427    -0.868    -4.364 1.000     11.510 .     9    SER C    O    .  1
ATOM         914 H  H    . SER CC   1     9          H    . SER CC     9     6.342    -2.572    -2.333 1.000      9.980 .     9    SER C    H    c  1
ATOM         915 N  N    . ILE CC   1    10          N    . ILE CC    10     6.784    -1.035    -6.099 1.000     11.210 .    10    ILE C    N    .  1
ATOM         916 C  CA   . ILE CC   1    10          CA   . ILE CC    10     5.767    -0.496    -7.086 1.000     10.260 .    10    ILE C    CA   .  1
ATOM         917 H  HA   . ILE CC   1    10          HA   . ILE CC    10     4.993    -0.134    -6.606 1.000     10.260 .    10    ILE C    HA   c  1
ATOM         918 C  CB   . ILE CC   1    10          CB   . ILE CC    10     6.437     0.623    -7.901 1.000     12.860 .    10    ILE C    CB   .  1
ATOM         919 H  HB   . ILE CC   1    10          HB   . ILE CC    10     7.260     0.284    -8.286 1.000     12.860 .    10    ILE C    HB   c  1
ATOM         920 C  CG1  . ILE CC   1    10          CG1  . ILE CC    10     6.857     1.795    -6.995 1.000     15.190 .    10    ILE C    CG1  .  1
ATOM         921 H  HG13 . ILE CC   1    10          HG13 . ILE CC    10     7.346     1.446    -6.233 1.000     15.190 .    10    ILE C    HG13 c  1
ATOM         922 H  HG12 . ILE CC   1    10          HG12 . ILE CC    10     6.061     2.249    -6.677 1.000     15.190 .    10    ILE C    HG12 c  1
ATOM         923 C  CD1  . ILE CC   1    10          CD1  . ILE CC    10     7.753     2.861    -7.659 1.000     17.110 .    10    ILE C    CD1  .  1
ATOM         924 H  HD11 . ILE CC   1    10          HD11 . ILE CC    10     8.563     2.444    -7.961 1.000     17.110 .    10    ILE C    HD11 c  1
ATOM         925 H  HD12 . ILE CC   1    10          HD12 . ILE CC    10     7.958     3.542    -7.015 1.000     17.110 .    10    ILE C    HD12 c  1
ATOM         926 H  HD13 . ILE CC   1    10          HD13 . ILE CC    10     7.284     3.244    -8.404 1.000     17.110 .    10    ILE C    HD13 c  1
ATOM         927 C  CG2  . ILE CC   1    10          CG2  . ILE CC    10     5.559     1.119    -9.032 1.000     12.500 .    10    ILE C    CG2  .  1
ATOM         928 H  HG21 . ILE CC   1    10          HG21 . ILE CC    10     5.371     0.388    -9.625 1.000     12.500 .    10    ILE C    HG21 c  1
ATOM         929 H  HG22 . ILE CC   1    10          HG22 . ILE CC    10     6.023     1.812    -9.507 1.000     12.500 .    10    ILE C    HG22 c  1
ATOM         930 H  HG23 . ILE CC   1    10          HG23 . ILE CC    10     4.741     1.463    -8.665 1.000     12.500 .    10    ILE C    HG23 c  1
ATOM         931 C  C    . ILE CC   1    10          C    . ILE CC    10     5.345    -1.668    -8.011 1.000      9.620 .    10    ILE C    C    .  1
ATOM         932 O  O    . ILE CC   1    10          O    . ILE CC    10     6.182    -2.426    -8.555 1.000     11.600 .    10    ILE C    O    .  1
ATOM         933 H  H    . ILE CC   1    10          H    . ILE CC    10     7.733    -1.285    -6.339 1.000     11.210 .    10    ILE C    H    c  1
ATOM         934 N  N    . CYS CC   1    11          N    . CYS CC    11     4.039    -1.861    -8.166 1.000      8.660 .    11    CYS C    N    .  1
ATOM         935 C  CA   . CYS CC   1    11          CA   . CYS CC    11     3.514    -2.946    -8.940 1.000      8.870 .    11    CYS C    CA   .  1
ATOM         936 H  HA   . CYS CC   1    11          HA   . CYS CC    11     4.228    -3.583    -9.152 1.000      8.870 .    11    CYS C    HA   c  1
ATOM         937 C  CB   . CYS CC   1    11          CB   . CYS CC    11     2.478    -3.774    -8.127 1.000      9.200 .    11    CYS C    CB   .  1
ATOM         938 H  HB3  . CYS CC   1    11          HB3  . CYS CC    11     2.898    -4.095    -7.314 1.000      9.200 .    11    CYS C    HB3  c  1
ATOM         939 H  HB2  . CYS CC   1    11          HB2  . CYS CC    11     2.206    -4.543    -8.652 1.000      9.200 .    11    CYS C    HB2  c  1
ATOM         940 S  SG   . CYS CC   1    11          SG   . CYS CC    11     0.986    -2.870    -7.658 1.000     10.010 .    11    CYS C    SG   .  1
ATOM         941 C  C    . CYS CC   1    11          C    . CYS CC    11     2.892    -2.451   -10.239 1.000      8.740 .    11    CYS C    C    .  1
ATOM         942 O  O    . CYS CC   1    11          O    . CYS CC    11     2.404    -1.336   -10.354 1.000     10.920 .    11    CYS C    O    .  1
ATOM         943 H  H    . CYS CC   1    11          H    . CYS CC    11     3.471    -1.175    -7.689 1.000      8.660 .    11    CYS C    H    c  1
ATOM         944 N  N    . SER CC   1    12          N    . SER CC    12     2.997    -3.326   -11.262 1.000      7.890 .    12    SER C    N    .  1
ATOM         945 C  CA   . SER CC   1    12          CA   . SER CC    12     2.271    -3.135   -12.505 1.000      7.720 .    12    SER C    CA   .  1
ATOM         946 H  HA   . SER CC   1    12          HA   . SER CC    12     2.427    -2.231   -12.849 1.000      7.720 .    12    SER C    HA   c  1
ATOM         947 C  CB   . SER CC   1    12          CB   . SER CC    12     2.802    -4.115   -13.505 1.000      8.380 .    12    SER C    CB   .  1
ATOM         948 H  HB3  . SER CC   1    12          HB3  . SER CC    12     3.771    -4.104   -13.474 1.000      8.380 .    12    SER C    HB3  c  1
ATOM         949 H  HB2  . SER CC   1    12          HB2  . SER CC    12     2.500    -3.858   -14.390 1.000      8.380 .    12    SER C    HB2  c  1
ATOM         950 O  OG   . SER CC   1    12          OG   . SER CC    12     2.300    -5.415   -13.158 1.000      8.850 .    12    SER C    OG   .  1
ATOM         951 H  HG   . SER CC   1    12          HG   . SER CC    12     2.576    -5.974   -13.691 0.000      8.850 .    12    SER C    HG   c  1
ATOM         952 C  C    . SER CC   1    12          C    . SER CC    12     0.804    -3.320   -12.375 1.000      7.150 .    12    SER C    C    .  1
ATOM         953 O  O    . SER CC   1    12          O    . SER CC    12     0.295    -3.927   -11.380 1.000      7.230 .    12    SER C    O    .  1
ATOM         954 H  H    . SER CC   1    12          H    . SER CC    12     3.615    -4.103   -11.077 1.000      7.890 .    12    SER C    H    c  1
ATOM         955 N  N    . LEU CC   1    13          N    . LEU CC    13     0.036    -2.895   -13.371 1.000      7.530 .    13    LEU C    N    .  1
ATOM         956 C  CA   . LEU CC   1    13          CA   . LEU CC    13    -1.440    -3.178   -13.352 1.000      7.260 .    13    LEU C    CA   .  1
ATOM         957 H  HA   . LEU CC   1    13          HA   . LEU CC    13    -1.863    -2.700   -12.609 1.000      7.260 .    13    LEU C    HA   c  1
ATOM         958 C  CB   . LEU CC   1    13          CB   . LEU CC    13    -2.129    -2.572   -14.579 1.000      8.350 .    13    LEU C    CB   .  1
ATOM         959 H  HB3  . LEU CC   1    13          HB3  . LEU CC    13    -1.712    -2.923   -15.381 1.000      8.350 .    13    LEU C    HB3  c  1
ATOM         960 H  HB2  . LEU CC   1    13          HB2  . LEU CC    13    -1.969    -1.615   -14.591 1.000      8.350 .    13    LEU C    HB2  c  1
ATOM         961 C  CG   . LEU CC   1    13          CG   . LEU CC    13    -3.641    -2.810   -14.678 1.000      9.240 .    13    LEU C    CG   .  1
ATOM         962 H  HG   . LEU CC   1    13          HG   . LEU CC    13    -3.817    -3.761   -14.603 1.000      9.240 .    13    LEU C    HG   c  1
ATOM         963 C  CD1  . LEU CC   1    13          CD1  . LEU CC    13    -4.324    -2.107   -13.524 1.000     10.390 .    13    LEU C    CD1  .  1
ATOM         964 H  HD11 . LEU CC   1    13          HD11 . LEU CC    13    -3.990    -2.465   -12.698 1.000     10.390 .    13    LEU C    HD11 c  1
ATOM         965 H  HD12 . LEU CC   1    13          HD12 . LEU CC    13    -5.271    -2.256   -13.584 1.000     10.390 .    13    LEU C    HD12 c  1
ATOM         966 H  HD13 . LEU CC   1    13          HD13 . LEU CC    13    -4.136    -1.167   -13.575 1.000     10.390 .    13    LEU C    HD13 c  1
ATOM         967 C  CD2  . LEU CC   1    13          CD2  . LEU CC    13    -4.206    -2.345   -16.024 1.000      9.440 .    13    LEU C    CD2  .  1
ATOM         968 H  HD21 . LEU CC   1    13          HD21 . LEU CC    13    -4.040    -1.405   -16.125 1.000      9.440 .    13    LEU C    HD21 c  1
ATOM         969 H  HD22 . LEU CC   1    13          HD22 . LEU CC    13    -5.151    -2.512   -16.041 1.000      9.440 .    13    LEU C    HD22 c  1
ATOM         970 H  HD23 . LEU CC   1    13          HD23 . LEU CC    13    -3.774    -2.833   -16.729 1.000      9.440 .    13    LEU C    HD23 c  1
ATOM         971 C  C    . LEU CC   1    13          C    . LEU CC    13    -1.752    -4.677   -13.202 1.000      7.430 .    13    LEU C    C    .  1
ATOM         972 O  O    . LEU CC   1    13          O    . LEU CC    13    -2.669    -5.065   -12.500 1.000      5.860 .    13    LEU C    O    .  1
ATOM         973 H  H    . LEU CC   1    13          H    . LEU CC    13     0.509    -2.389   -14.106 1.000      7.530 .    13    LEU C    H    c  1
ATOM         974 N  N    . TYR CC   1    14          N    . TYR CC    14    -1.040    -5.511   -13.930 1.000      7.840 .    14    TYR C    N    .  1
ATOM         975 C  CA   . TYR CC   1    14          CA   . TYR CC    14    -1.373    -6.917   -13.927 1.000      8.340 .    14    TYR C    CA   .  1
ATOM         976 H  HA   . TYR CC   1    14          HA   . TYR CC    14    -2.336    -7.034   -14.067 1.000      8.340 .    14    TYR C    HA   c  1
ATOM         977 C  CB   . TYR CC   1    14          CB   . TYR CC    14    -0.667    -7.635   -15.100 1.000      9.630 .    14    TYR C    CB   .  1
ATOM         978 H  HB3  . TYR CC   1    14          HB3  . TYR CC    14    -0.684    -8.592   -14.941 1.000      9.630 .    14    TYR C    HB3  c  1
ATOM         979 H  HB2  . TYR CC   1    14          HB2  . TYR CC    14     0.256    -7.341   -15.141 1.000      9.630 .    14    TYR C    HB2  c  1
ATOM         980 C  CG   . TYR CC   1    14          CG   . TYR CC    14    -1.249    -7.419   -16.484 1.000     10.950 .    14    TYR C    CG   .  1
ATOM         981 C  CD1  . TYR CC   1    14          CD1  . TYR CC    14    -2.461    -6.838   -16.672 1.000     12.880 .    14    TYR C    CD1  .  1
ATOM         982 H  HD1  . TYR CC   1    14          HD1  . TYR CC    14    -2.953    -6.558   -15.934 1.000     12.880 .    14    TYR C    HD1  c  1
ATOM         983 C  CE1  . TYR CC   1    14          CE1  . TYR CC    14    -2.980    -6.653   -17.937 1.000     16.450 .    14    TYR C    CE1  .  1
ATOM         984 H  HE1  . TYR CC   1    14          HE1  . TYR CC    14    -3.824    -6.279   -18.046 1.000     16.450 .    14    TYR C    HE1  c  1
ATOM         985 C  CZ   . TYR CC   1    14          CZ   . TYR CC    14    -2.238    -7.027   -19.032 1.000     15.830 .    14    TYR C    CZ   .  1
ATOM         986 O  OH   . TYR CC   1    14          OH   . TYR CC    14    -2.735    -6.844   -20.322 1.000     20.630 .    14    TYR C    OH   .  1
ATOM         987 H  HH   . TYR CC   1    14          HH   . TYR CC    14    -2.882    -6.048   -20.456 0.000     20.630 .    14    TYR C    HH   c  1
ATOM         988 C  CE2  . TYR CC   1    14          CE2  . TYR CC    14    -1.027    -7.590   -18.852 1.000     16.330 .    14    TYR C    CE2  .  1
ATOM         989 H  HE2  . TYR CC   1    14          HE2  . TYR CC    14    -0.528    -7.870   -19.585 1.000     16.330 .    14    TYR C    HE2  c  1
ATOM         990 C  CD2  . TYR CC   1    14          CD2  . TYR CC    14    -0.522    -7.753   -17.580 1.000     14.680 .    14    TYR C    CD2  .  1
ATOM         991 H  HD2  . TYR CC   1    14          HD2  . TYR CC    14     0.334    -8.099   -17.470 1.000     14.680 .    14    TYR C    HD2  c  1
ATOM         992 C  C    . TYR CC   1    14          C    . TYR CC    14    -0.979    -7.568   -12.610 1.000      7.710 .    14    TYR C    C    .  1
ATOM         993 O  O    . TYR CC   1    14          O    . TYR CC    14    -1.608    -8.467   -12.205 1.000      8.170 .    14    TYR C    O    .  1
ATOM         994 H  H    . TYR CC   1    14          H    . TYR CC    14    -0.283    -5.107   -14.462 1.000      7.840 .    14    TYR C    H    c  1
ATOM         995 N  N    . GLN CC   1    15          N    . GLN CC    15     0.060    -7.055   -11.972 1.000      7.720 .    15    GLN C    N    .  1
ATOM         996 C  CA   . GLN CC   1    15          CA   . GLN CC    15     0.411    -7.570   -10.631 1.000      7.430 .    15    GLN C    CA   .  1
ATOM         997 H  HA   . GLN CC   1    15          HA   . GLN CC    15     0.525    -8.543   -10.665 1.000      7.430 .    15    GLN C    HA   c  1
ATOM         998 C  CB   . GLN CC   1    15          CB   . GLN CC    15     1.792    -7.075   -10.190 1.000      8.390 .    15    GLN C    CB   .  1
ATOM         999 H  HB3  . GLN CC   1    15          HB3  . GLN CC    15     1.903    -7.252    -9.243 1.000      8.390 .    15    GLN C    HB3  c  1
ATOM        1000 H  HB2  . GLN CC   1    15          HB2  . GLN CC    15     1.845    -6.117   -10.335 1.000      8.390 .    15    GLN C    HB2  c  1
ATOM        1001 C  CG   . GLN CC   1    15          CG   . GLN CC    15     2.912    -7.764   -10.965 1.000      8.980 .    15    GLN C    CG   .  1
ATOM        1002 H  HG3  . GLN CC   1    15          HG3  . GLN CC    15     2.766    -7.633   -11.915 1.000      8.980 .    15    GLN C    HG3  c  1
ATOM        1003 H  HG2  . GLN CC   1    15          HG2  . GLN CC    15     2.907    -8.711   -10.753 1.000      8.980 .    15    GLN C    HG2  c  1
ATOM        1004 C  CD   . GLN CC   1    15          CD   . GLN CC    15     4.266    -7.212   -10.617 1.000     10.660 .    15    GLN C    CD   .  1
ATOM        1005 O  OE1  . GLN CC   1    15          OE1  . GLN CC    15     4.439    -5.991   -10.470 1.000     10.260 .    15    GLN C    OE1  .  1
ATOM        1006 N  NE2  . GLN CC   1    15          NE2  . GLN CC    15     5.238    -8.090   -10.397 1.000     11.400 .    15    GLN C    NE2  .  1
ATOM        1007 H  HE21 . GLN CC   1    15          HE21 . GLN CC    15     6.028    -7.816   -10.195 1.000     11.400 .    15    GLN C    HE21 c  1
ATOM        1008 H  HE22 . GLN CC   1    15          HE22 . GLN CC    15     5.078    -8.933   -10.456 1.000     11.400 .    15    GLN C    HE22 c  1
ATOM        1009 C  C    . GLN CC   1    15          C    . GLN CC    15    -0.696    -7.210    -9.643 1.000      7.190 .    15    GLN C    C    .  1
ATOM        1010 O  O    . GLN CC   1    15          O    . GLN CC    15    -1.072    -8.011    -8.783 1.000      7.380 .    15    GLN C    O    .  1
ATOM        1011 H  H    . GLN CC   1    15          H    . GLN CC    15     0.565    -6.323   -12.451 1.000      7.720 .    15    GLN C    H    c  1
ATOM        1012 N  N    . LEU CC   1    16          N    . LEU CC    16    -1.212    -5.987    -9.710 1.000      6.970 .    16    LEU C    N    .  1
ATOM        1013 C  CA   . LEU CC   1    16          CA   . LEU CC    16    -2.314    -5.569    -8.822 1.000      7.650 .    16    LEU C    CA   .  1
ATOM        1014 H  HA   . LEU CC   1    16          HA   . LEU CC    16    -2.062    -5.711    -7.886 1.000      7.650 .    16    LEU C    HA   c  1
ATOM        1015 C  CB   . LEU CC   1    16          CB   . LEU CC    16    -2.581    -4.053    -9.007 1.000      7.660 .    16    LEU C    CB   .  1
ATOM        1016 H  HB3  . LEU CC   1    16          HB3  . LEU CC    16    -2.646    -3.857    -9.955 1.000      7.660 .    16    LEU C    HB3  c  1
ATOM        1017 H  HB2  . LEU CC   1    16          HB2  . LEU CC    16    -1.814    -3.555    -8.682 1.000      7.660 .    16    LEU C    HB2  c  1
ATOM        1018 C  CG   . LEU CC   1    16          CG   . LEU CC    16    -3.788    -3.491    -8.351 1.000      8.780 .    16    LEU C    CG   .  1
ATOM        1019 H  HG   . LEU CC   1    16          HG   . LEU CC    16    -4.563    -4.011    -8.616 1.000      8.780 .    16    LEU C    HG   c  1
ATOM        1020 C  CD1  . LEU CC   1    16          CD1  . LEU CC    16    -3.640    -3.552    -6.860 1.000      9.490 .    16    LEU C    CD1  .  1
ATOM        1021 H  HD11 . LEU CC   1    16          HD11 . LEU CC    16    -3.531    -4.468    -6.594 1.000      9.490 .    16    LEU C    HD11 c  1
ATOM        1022 H  HD12 . LEU CC   1    16          HD12 . LEU CC    16    -4.429    -3.186    -6.452 1.000      9.490 .    16    LEU C    HD12 c  1
ATOM        1023 H  HD13 . LEU CC   1    16          HD13 . LEU CC    16    -2.870    -3.041    -6.601 1.000      9.490 .    16    LEU C    HD13 c  1
ATOM        1024 C  CD2  . LEU CC   1    16          CD2  . LEU CC    16    -3.965    -2.022    -8.839 1.000      9.530 .    16    LEU C    CD2  .  1
ATOM        1025 H  HD21 . LEU CC   1    16          HD21 . LEU CC    16    -3.187    -1.516    -8.595 1.000      9.530 .    16    LEU C    HD21 c  1
ATOM        1026 H  HD22 . LEU CC   1    16          HD22 . LEU CC    16    -4.743    -1.645    -8.421 1.000      9.530 .    16    LEU C    HD22 c  1
ATOM        1027 H  HD23 . LEU CC   1    16          HD23 . LEU CC    16    -4.072    -2.020    -9.793 1.000      9.530 .    16    LEU C    HD23 c  1
ATOM        1028 C  C    . LEU CC   1    16          C    . LEU CC    16    -3.541    -6.364    -9.149 1.000      7.840 .    16    LEU C    C    .  1
ATOM        1029 O  O    . LEU CC   1    16          O    . LEU CC    16    -4.194    -6.863    -8.242 1.000      7.700 .    16    LEU C    O    .  1
ATOM        1030 H  H    . LEU CC   1    16          H    . LEU CC    16    -0.787    -5.393   -10.408 1.000      6.970 .    16    LEU C    H    c  1
ATOM        1031 N  N    . GLU CC   1    17          N    . GLU CC    17    -3.864    -6.539   -10.429 1.000      7.110 .    17    GLU C    N    .  1
ATOM        1032 C  CA   . GLU CC   1    17          CA   . GLU CC    17    -5.043    -7.317   -10.861 1.000      8.040 .    17    GLU C    CA   .  1
ATOM        1033 H  HA   . GLU CC   1    17          HA   . GLU CC    17    -5.855    -6.947   -10.457 1.000      8.040 .    17    GLU C    HA   c  1
ATOM        1034 C  CB   . GLU CC   1    17          CB   . GLU CC    17    -5.203    -7.191   -12.372 1.000      8.420 .    17    GLU C    CB   .  1
ATOM        1035 H  HB3  . GLU CC   1    17          HB3  . GLU CC    17    -5.763    -7.916   -12.692 1.000      8.420 .    17    GLU C    HB3  c  1
ATOM        1036 H  HB2  . GLU CC   1    17          HB2  . GLU CC    17    -4.331    -7.266   -12.789 1.000      8.420 .    17    GLU C    HB2  c  1
ATOM        1037 C  CG   . GLU CC   1    17          CG   . GLU CC    17    -5.822    -5.890   -12.793 1.000      9.840 .    17    GLU C    CG   .  1
ATOM        1038 H  HG3  . GLU CC   1    17          HG3  . GLU CC    17    -5.272    -5.159   -12.469 1.000      9.840 .    17    GLU C    HG3  c  1
ATOM        1039 H  HG2  . GLU CC   1    17          HG2  . GLU CC    17    -6.715    -5.830   -12.419 1.000      9.840 .    17    GLU C    HG2  c  1
ATOM        1040 C  CD   . GLU CC   1    17          CD   . GLU CC    17    -5.937    -5.756   -14.311 1.000     11.300 .    17    GLU C    CD   .  1
ATOM        1041 O  OE1  . GLU CC   1    17          OE1  . GLU CC    17    -5.442    -6.612   -15.072 1.000     11.570 .    17    GLU C    OE1  .  1
ATOM        1042 O  OE2  . GLU CC   1    17          OE2  . GLU CC    17    -6.464    -4.685   -14.810 1.000     11.340 .    17    GLU C    OE2  .  1
ATOM        1043 C  C    . GLU CC   1    17          C    . GLU CC    17    -4.995    -8.820   -10.495 1.000      7.210 .    17    GLU C    C    .  1
ATOM        1044 O  O    . GLU CC   1    17          O    . GLU CC    17    -6.052    -9.459   -10.300 1.000      7.520 .    17    GLU C    O    .  1
ATOM        1045 H  H    . GLU CC   1    17          H    . GLU CC    17    -3.219    -6.085   -11.060 1.000      7.110 .    17    GLU C    H    c  1
ATOM        1046 N  N    . ASN CC   1    18          N    . ASN CC    18    -3.791    -9.310   -10.278 1.000      7.450 .    18    ASN C    N    .  1
ATOM        1047 C  CA   . ASN CC   1    18          CA   . ASN CC    18    -3.575   -10.708    -9.837 1.000      8.340 .    18    ASN C    CA   .  1
ATOM        1048 H  HA   . ASN CC   1    18          HA   . ASN CC    18    -3.943   -11.329   -10.500 1.000      8.340 .    18    ASN C    HA   c  1
ATOM        1049 C  CB   . ASN CC   1    18          CB   . ASN CC    18    -2.092   -11.011    -9.777 1.000      7.870 .    18    ASN C    CB   .  1
ATOM        1050 H  HB3  . ASN CC   1    18          HB3  . ASN CC    18    -1.720   -10.610    -8.976 1.000      7.870 .    18    ASN C    HB3  c  1
ATOM        1051 H  HB2  . ASN CC   1    18          HB2  . ASN CC    18    -1.663   -10.645   -10.566 1.000      7.870 .    18    ASN C    HB2  c  1
ATOM        1052 C  CG   . ASN CC   1    18          CG   . ASN CC    18    -1.819   -12.497    -9.735 1.000      8.820 .    18    ASN C    CG   .  1
ATOM        1053 O  OD1  . ASN CC   1    18          OD1  . ASN CC    18    -2.467   -13.324   -10.457 1.000      9.500 .    18    ASN C    OD1  .  1
ATOM        1054 N  ND2  . ASN CC   1    18          ND2  . ASN CC    18    -0.792   -12.836    -8.973 1.000      8.110 .    18    ASN C    ND2  .  1
ATOM        1055 H  HD21 . ASN CC   1    18          HD21 . ASN CC    18    -0.538   -13.779    -8.884 1.000      8.110 .    18    ASN C    HD21 c  1
ATOM        1056 H  HD22 . ASN CC   1    18          HD22 . ASN CC    18    -0.285   -12.145    -8.498 1.000      8.110 .    18    ASN C    HD22 c  1
ATOM        1057 C  C    . ASN CC   1    18          C    . ASN CC    18    -4.223   -10.969    -8.482 1.000      8.330 .    18    ASN C    C    .  1
ATOM        1058 O  O    . ASN CC   1    18          O    . ASN CC    18    -4.521   -12.135    -8.139 1.000      9.990 .    18    ASN C    O    .  1
ATOM        1059 H  H    . ASN CC   1    18          H    . ASN CC    18    -3.050    -8.644   -10.441 1.000      7.450 .    18    ASN C    H    c  1
ATOM        1060 N  N    . TYR CC   1    19          N    . TYR CC    19    -4.449    -9.920    -7.699 1.000      8.080 .    19    TYR C    N    .  1
ATOM        1061 C  CA   . TYR CC   1    19          CA   . TYR CC    19    -5.077   -10.018    -6.388 1.000      7.730 .    19    TYR C    CA   .  1
ATOM        1062 H  HA   . TYR CC   1    19          HA   . TYR CC    19    -4.754   -10.817    -5.921 1.000      7.730 .    19    TYR C    HA   c  1
ATOM        1063 C  CB   . TYR CC   1    19          CB   . TYR CC    19    -4.581    -8.887    -5.473 1.000      8.110 .    19    TYR C    CB   .  1
ATOM        1064 H  HB3  . TYR CC   1    19          HB3  . TYR CC    19    -5.160    -8.832    -4.697 1.000      8.110 .    19    TYR C    HB3  c  1
ATOM        1065 H  HB2  . TYR CC   1    19          HB2  . TYR CC    19    -4.625    -8.047    -5.957 1.000      8.110 .    19    TYR C    HB2  c  1
ATOM        1066 C  CG   . TYR CC   1    19          CG   . TYR CC    19    -3.170    -9.139    -5.031 1.000      7.690 .    19    TYR C    CG   .  1
ATOM        1067 C  CD1  . TYR CC   1    19          CD1  . TYR CC    19    -2.932    -9.975    -3.987 1.000      8.720 .    19    TYR C    CD1  .  1
ATOM        1068 H  HD1  . TYR CC   1    19          HD1  . TYR CC    19    -3.649   -10.367    -3.543 1.000      8.720 .    19    TYR C    HD1  c  1
ATOM        1069 C  CE1  . TYR CC   1    19          CE1  . TYR CC    19    -1.645   -10.254    -3.573 1.000      8.230 .    19    TYR C    CE1  .  1
ATOM        1070 H  HE1  . TYR CC   1    19          HE1  . TYR CC    19    -1.499   -10.793    -2.829 1.000      8.230 .    19    TYR C    HE1  c  1
ATOM        1071 C  CZ   . TYR CC   1    19          CZ   . TYR CC    19    -0.588    -9.750    -4.241 1.000      8.900 .    19    TYR C    CZ   .  1
ATOM        1072 O  OH   . TYR CC   1    19          OH   . TYR CC    19     0.700   -10.010    -3.922 1.000      7.900 .    19    TYR C    OH   .  1
ATOM        1073 H  HH   . TYR CC   1    19          HH   . TYR CC    19     0.844   -10.816    -3.972 0.000      7.900 .    19    TYR C    HH   c  1
ATOM        1074 C  CE2  . TYR CC   1    19          CE2  . TYR CC    19    -0.815    -8.929    -5.283 1.000      7.990 .    19    TYR C    CE2  .  1
ATOM        1075 H  HE2  . TYR CC   1    19          HE2  . TYR CC    19    -0.102    -8.560    -5.752 1.000      7.990 .    19    TYR C    HE2  c  1
ATOM        1076 C  CD2  . TYR CC   1    19          CD2  . TYR CC    19    -2.090    -8.616    -5.678 1.000      8.350 .    19    TYR C    CD2  .  1
ATOM        1077 H  HD2  . TYR CC   1    19          HD2  . TYR CC    19    -2.217    -8.039    -6.397 1.000      8.350 .    19    TYR C    HD2  c  1
ATOM        1078 C  C    . TYR CC   1    19          C    . TYR CC    19    -6.611   -10.100    -6.386 1.000      8.750 .    19    TYR C    C    .  1
ATOM        1079 O  O    . TYR CC   1    19          O    . TYR CC    19    -7.220   -10.437    -5.413 1.000      9.940 .    19    TYR C    O    .  1
ATOM        1080 H  H    . TYR CC   1    19          H    . TYR CC    19    -4.137    -9.055    -8.117 1.000      8.080 .    19    TYR C    H    c  1
ATOM        1081 N  N    . CYS CC   1    20          N    . CYS CC    20    -7.166    -9.901    -7.542 1.000      7.860 .    20    CYS C    N    .  1
ATOM        1082 C  CA   . CYS CC   1    20          CA   . CYS CC    20    -8.586   -10.071    -7.707 1.000      8.450 .    20    CYS C    CA   .  1
ATOM        1083 H  HA   . CYS CC   1    20          HA   . CYS CC    20    -9.063    -9.644    -6.965 1.000      8.450 .    20    CYS C    HA   c  1
ATOM        1084 C  CB   . CYS CC   1    20          CB   . CYS CC    20    -9.015    -9.453    -9.011 1.000      9.120 .    20    CYS C    CB   .  1
ATOM        1085 H  HB3  . CYS CC   1    20          HB3  . CYS CC    20    -9.976    -9.546    -9.103 1.000      9.120 .    20    CYS C    HB3  c  1
ATOM        1086 H  HB2  . CYS CC   1    20          HB2  . CYS CC    20    -8.592    -9.931    -9.741 1.000      9.120 .    20    CYS C    HB2  c  1
ATOM        1087 S  SG   . CYS CC   1    20          SG   . CYS CC    20    -8.633    -7.696    -9.242 1.000      9.050 .    20    CYS C    SG   .  1
ATOM        1088 C  C    . CYS CC   1    20          C    . CYS CC    20    -8.967   -11.539    -7.755 1.000      9.680 .    20    CYS C    C    .  1
ATOM        1089 O  O    . CYS CC   1    20          O    . CYS CC    20    -8.205   -12.392    -8.101 1.000     12.030 .    20    CYS C    O    .  1
ATOM        1090 H  H    . CYS CC   1    20          H    . CYS CC    20    -6.536    -9.628    -8.282 1.000      7.860 .    20    CYS C    H    c  1
ATOM        1091 N  N    . ASN CC   1    21          N    . ASN CC    21   -10.212   -11.791    -7.418 1.000     10.550 .    21    ASN C    N    .  1
ATOM        1092 C  CA   . ASN CC   1    21          CA   . ASN CC    21   -10.724   -13.114    -7.568 1.000     15.270 .    21    ASN C    CA   .  1
ATOM        1093 H  HA   . ASN CC   1    21          HA   . ASN CC    21   -10.037   -13.769    -7.326 1.000     15.270 .    21    ASN C    HA   c  1
ATOM        1094 C  CB   . ASN CC   1    21          CB   . ASN CC    21   -11.870   -13.290    -6.576 1.000     15.990 .    21    ASN C    CB   .  1
ATOM        1095 H  HB3  . ASN CC   1    21          HB3  . ASN CC    21   -12.691   -13.449    -7.067 1.000     15.990 .    21    ASN C    HB3  c  1
ATOM        1096 H  HB2  . ASN CC   1    21          HB2  . ASN CC    21   -11.950   -12.486    -6.040 1.000     15.990 .    21    ASN C    HB2  c  1
ATOM        1097 C  CG   . ASN CC   1    21          CG   . ASN CC    21   -11.635   -14.424    -5.682 1.000     17.630 .    21    ASN C    CG   .  1
ATOM        1098 O  OD1  . ASN CC   1    21          OD1  . ASN CC    21   -10.554   -14.522    -5.105 1.000     21.600 .    21    ASN C    OD1  .  1
ATOM        1099 N  ND2  . ASN CC   1    21          ND2  . ASN CC    21   -12.652   -15.180    -5.445 1.000     18.430 .    21    ASN C    ND2  .  1
ATOM        1100 H  HD21 . ASN CC   1    21          HD21 . ASN CC    21   -12.559   -15.956    -4.854 1.000     18.430 .    21    ASN C    HD21 c  1
ATOM        1101 H  HD22 . ASN CC   1    21          HD22 . ASN CC    21   -13.519   -14.979    -5.856 1.000     18.430 .    21    ASN C    HD22 c  1
ATOM        1102 C  C    . ASN CC   1    21          C    . ASN CC    21   -11.179   -13.386    -8.940 1.000     18.410 .    21    ASN C    C    .  1
ATOM        1103 O  O    . ASN CC   1    21          O    . ASN CC    21   -10.978   -12.666    -9.883 1.000     18.500 .    21    ASN C    O    .  1
ATOM        1104 H  H    . ASN CC   1    21          H    . ASN CC    21   -10.746   -11.011    -7.063 1.000     10.550 .    21    ASN C    H    c  1
ATOM        1105 O  OXT  . ASN CC   1    21          OXT  . ASN CC    21   -11.766   -14.474    -9.097 1.000     34.720 .    21    ASN C    OXT  .  1
ATOM        1106 N  N    . PHE DD   3     1          N    . PHE DD     1     6.249    14.804    -8.096 1.000     21.370 .     1    PHE D    N    .  1
ATOM        1107 C  CA   . PHE DD   3     1          CA   . PHE DD     1     5.716    13.737    -8.904 1.000     20.800 .     1    PHE D    CA   .  1
ATOM        1108 H  HA   . PHE DD   3     1          HA   . PHE DD     1     5.196    14.107    -9.647 1.000     20.800 .     1    PHE D    HA   c  1
ATOM        1109 C  CB   . PHE DD   3     1          CB   . PHE DD     1     6.898    12.923    -9.485 1.000     20.690 .     1    PHE D    CB   .  1
ATOM        1110 H  HB3  . PHE DD   3     1          HB3  . PHE DD     1     6.552    12.124    -9.912 1.000     20.690 .     1    PHE D    HB3  c  1
ATOM        1111 H  HB2  . PHE DD   3     1          HB2  . PHE DD     1     7.488    12.662    -8.761 1.000     20.690 .     1    PHE D    HB2  c  1
ATOM        1112 C  CG   . PHE DD   3     1          CG   . PHE DD     1     7.699    13.676   -10.488 1.000     20.640 .     1    PHE D    CG   .  1
ATOM        1113 C  CD1  . PHE DD   3     1          CD1  . PHE DD     1     8.433    14.751   -10.111 1.000     22.690 .     1    PHE D    CD1  .  1
ATOM        1114 H  HD1  . PHE DD   3     1          HD1  . PHE DD     1     8.446    15.009    -9.218 1.000     22.690 .     1    PHE D    HD1  c  1
ATOM        1115 C  CE1  . PHE DD   3     1          CE1  . PHE DD     1     9.157    15.463   -11.030 1.000     23.850 .     1    PHE D    CE1  .  1
ATOM        1116 H  HE1  . PHE DD   3     1          HE1  . PHE DD     1     9.665    16.193   -10.757 1.000     23.850 .     1    PHE D    HE1  c  1
ATOM        1117 C  CZ   . PHE DD   3     1          CZ   . PHE DD     1     9.127    15.092   -12.351 1.000     22.780 .     1    PHE D    CZ   .  1
ATOM        1118 H  HZ   . PHE DD   3     1          HZ   . PHE DD     1     9.600    15.584   -12.983 1.000     22.780 .     1    PHE D    HZ   c  1
ATOM        1119 C  CE2  . PHE DD   3     1          CE2  . PHE DD     1     8.408    14.008   -12.735 1.000     20.330 .     1    PHE D    CE2  .  1
ATOM        1120 H  HE2  . PHE DD   3     1          HE2  . PHE DD     1     8.400    13.748   -13.628 1.000     20.330 .     1    PHE D    HE2  c  1
ATOM        1121 C  CD2  . PHE DD   3     1          CD2  . PHE DD     1     7.705    13.313   -11.803 1.000     21.180 .     1    PHE D    CD2  .  1
ATOM        1122 H  HD2  . PHE DD   3     1          HD2  . PHE DD     1     7.212    12.568   -12.060 1.000     21.180 .     1    PHE D    HD2  c  1
ATOM        1123 C  C    . PHE DD   3     1          C    . PHE DD     1     4.816    12.870    -8.036 1.000     19.640 .     1    PHE D    C    .  1
ATOM        1124 O  O    . PHE DD   3     1          O    . PHE DD     1     5.113    12.750    -6.928 1.000     24.990 .     1    PHE D    O    .  1
ATOM        1125 H  H1   . PHE DD   3     1          H1   . PHE DD     1     7.208    14.751    -8.087 1.000     21.370 .     1    PHE D    H1   c  1
ATOM        1126 H  H2   . PHE DD   3     1          H2   . PHE DD     1     5.979    15.649    -8.463 1.000     21.370 .     1    PHE D    H2   c  1
ATOM        1127 H  H3   . PHE DD   3     1          H3   . PHE DD     1     5.916    14.724    -7.199 1.000     21.370 .     1    PHE D    H3   c  1
ATOM        1128 N  N    . VAL DD   3     2          N    . VAL DD     2     3.763    12.274    -8.568 1.000     19.160 .     2    VAL D    N    .  1
ATOM        1129 C  CA   . VAL DD   3     2          CA   . VAL DD     2     2.854    11.504    -7.707 1.000     20.310 .     2    VAL D    CA   .  1
ATOM        1130 H  HA   . VAL DD   3     2          HA   . VAL DD     2     2.442    12.094    -7.042 1.000     20.310 .     2    VAL D    HA   c  1
ATOM        1131 C  CB   . VAL DD   3     2          CB   . VAL DD     2     1.642    10.855    -8.454 1.000     23.690 .     2    VAL D    CB   .  1
ATOM        1132 H  HB   . VAL DD   3     2          HB   . VAL DD     2     1.091    11.565    -8.844 1.000     23.690 .     2    VAL D    HB   c  1
ATOM        1133 C  CG1  . VAL DD   3     2          CG1  . VAL DD     2     2.080     9.931    -9.565 1.000     24.110 .     2    VAL D    CG1  .  1
ATOM        1134 H  HG11 . VAL DD   3     2          HG11 . VAL DD     2     2.593    10.432   -10.204 1.000     24.110 .     2    VAL D    HG11 c  1
ATOM        1135 H  HG12 . VAL DD   3     2          HG12 . VAL DD     2     1.302     9.562    -9.990 1.000     24.110 .     2    VAL D    HG12 c  1
ATOM        1136 H  HG13 . VAL DD   3     2          HG13 . VAL DD     2     2.616     9.227    -9.193 1.000     24.110 .     2    VAL D    HG13 c  1
ATOM        1138 C  C    . VAL DD   3     2          C    . VAL DD     2     3.711    10.407    -7.034 1.000     19.330 .     2    VAL D    C    .  1
ATOM        1139 O  O    . VAL DD   3     2          O    . VAL DD     2     4.587     9.830    -7.648 1.000     18.950 .     2    VAL D    O    .  1
ATOM        1140 H  H    . VAL DD   3     2          H    . VAL DD     2     3.643    12.387    -9.564 1.000     19.160 .     2    VAL D    H    c  1
ATOM        1141 N  N    . ASN DD   3     3          N    . ASN DD     3     3.397    10.080    -5.791 1.000     18.810 .     3    ASN D    N    .  1
ATOM        1142 C  CA   . ASN DD   3     3          CA   . ASN DD     3     4.003     8.864    -5.204 1.000     17.230 .     3    ASN D    CA   .  1
ATOM        1143 H  HA   . ASN DD   3     3          HA   . ASN DD     3     4.970     8.861    -5.364 1.000     17.230 .     3    ASN D    HA   c  1
ATOM        1144 C  CB   . ASN DD   3     3          CB   . ASN DD     3     3.701     8.905    -3.712 1.000     18.950 .     3    ASN D    CB   .  1
ATOM        1145 H  HB3  . ASN DD   3     3          HB3  . ASN DD     3     2.751     9.057    -3.586 1.000     18.950 .     3    ASN D    HB3  c  1
ATOM        1146 H  HB2  . ASN DD   3     3          HB2  . ASN DD     3     4.212     9.623    -3.306 1.000     18.950 .     3    ASN D    HB2  c  1
ATOM        1147 C  CG   . ASN DD   3     3          CG   . ASN DD     3     4.055     7.627    -2.976 1.000     21.230 .     3    ASN D    CG   .  1
ATOM        1148 O  OD1  . ASN DD   3     3          OD1  . ASN DD     3     4.707     6.741    -3.487 1.000     15.290 .     3    ASN D    OD1  .  1
ATOM        1149 N  ND2  . ASN DD   3     3          ND2  . ASN DD     3     3.652     7.588    -1.703 1.000     23.700 .     3    ASN D    ND2  .  1
ATOM        1150 H  HD21 . ASN DD   3     3          HD21 . ASN DD     3     3.839     6.798    -1.154 1.000     23.700 .     3    ASN D    HD21 c  1
ATOM        1151 H  HD22 . ASN DD   3     3          HD22 . ASN DD     3     3.169     8.349    -1.318 1.000     23.700 .     3    ASN D    HD22 c  1
ATOM        1152 C  C    . ASN DD   3     3          C    . ASN DD     3     3.353     7.674    -5.824 1.000     16.630 .     3    ASN D    C    .  1
ATOM        1153 O  O    . ASN DD   3     3          O    . ASN DD     3     2.149     7.584    -5.687 1.000     19.180 .     3    ASN D    O    .  1
ATOM        1154 H  H    . ASN DD   3     3          H    . ASN DD     3     2.752    10.686    -5.304 1.000     18.810 .     3    ASN D    H    c  1
ATOM        1155 N  N    . GLN DD   3     4          N    . GLN DD     4     4.114     6.721    -6.430 1.000     14.160 .     4    GLN D    N    .  1
ATOM        1156 C  CA   . GLN DD   3     4          CA   . GLN DD     4     3.568     5.569    -7.168 1.000     13.380 .     4    GLN D    CA   .  1
ATOM        1157 H  HA   . GLN DD   3     4          HA   . GLN DD     4     2.723     5.817    -7.599 1.000     13.380 .     4    GLN D    HA   c  1
ATOM        1158 C  CB   . GLN DD   3     4          CB   . GLN DD     4     4.518     5.106    -8.185 1.000     14.260 .     4    GLN D    CB   .  1
ATOM        1159 H  HB3  . GLN DD   3     4          HB3  . GLN DD     4     4.198     4.270    -8.559 1.000     14.260 .     4    GLN D    HB3  c  1
ATOM        1160 H  HB2  . GLN DD   3     4          HB2  . GLN DD     4     5.378     4.948    -7.765 1.000     14.260 .     4    GLN D    HB2  c  1
ATOM        1161 C  CG   . GLN DD   3     4          CG   . GLN DD     4     4.694     6.157    -9.343 1.000     17.750 .     4    GLN D    CG   .  1
ATOM        1162 H  HG3  . GLN DD   3     4          HG3  . GLN DD     4     5.041     6.983    -8.970 1.000     17.750 .     4    GLN D    HG3  c  1
ATOM        1163 H  HG2  . GLN DD   3     4          HG2  . GLN DD     4     3.833     6.313    -9.761 1.000     17.750 .     4    GLN D    HG2  c  1
ATOM        1164 C  CD   . GLN DD   3     4          CD   . GLN DD     4     5.646     5.628   -10.349 1.000     21.420 .     4    GLN D    CD   .  1
ATOM        1165 O  OE1  . GLN DD   3     4          OE1  . GLN DD     4     5.390     4.660   -11.070 1.000     19.380 .     4    GLN D    OE1  .  1
ATOM        1166 N  NE2  . GLN DD   3     4          NE2  . GLN DD     4     6.845     6.216   -10.378 1.000     29.430 .     4    GLN D    NE2  .  1
ATOM        1167 H  HE21 . GLN DD   3     4          HE21 . GLN DD     4     7.440     5.952   -10.941 1.000     29.430 .     4    GLN D    HE21 c  1
ATOM        1168 H  HE22 . GLN DD   3     4          HE22 . GLN DD     4     7.022     6.858    -9.834 1.000     29.430 .     4    GLN D    HE22 c  1
ATOM        1169 C  C    . GLN DD   3     4          C    . GLN DD     4     3.321     4.381    -6.244 1.000     12.210 .     4    GLN D    C    .  1
ATOM        1170 O  O    . GLN DD   3     4          O    . GLN DD     4     2.804     3.374    -6.715 1.000     14.290 .     4    GLN D    O    .  1
ATOM        1171 H  H    . GLN DD   3     4          H    . GLN DD     4     5.100     6.904    -6.309 1.000     14.160 .     4    GLN D    H    c  1
ATOM        1172 N  N    . HIS DD   3     5          N    . HIS DD     5     3.689     4.484    -4.988 1.000     11.400 .     5    HIS D    N    .  1
ATOM        1173 C  CA   . HIS DD   3     5          CA   . HIS DD     5     3.363     3.423    -4.055 1.000      9.930 .     5    HIS D    CA   .  1
ATOM        1174 H  HA   . HIS DD   3     5          HA   . HIS DD     5     3.504     2.550    -4.478 1.000      9.930 .     5    HIS D    HA   c  1
ATOM        1175 C  CB   . HIS DD   3     5          CB   . HIS DD     5     4.287     3.463    -2.828 1.000     10.350 .     5    HIS D    CB   .  1
ATOM        1176 H  HB3  . HIS DD   3     5          HB3  . HIS DD     5     4.080     2.710    -2.252 1.000     10.350 .     5    HIS D    HB3  c  1
ATOM        1177 H  HB2  . HIS DD   3     5          HB2  . HIS DD     5     4.128     4.286    -2.340 1.000     10.350 .     5    HIS D    HB2  c  1
ATOM        1178 C  CG   . HIS DD   3     5          CG   . HIS DD     5     5.728     3.400    -3.176 1.000     11.910 .     5    HIS D    CG   .  1
ATOM        1179 N  ND1  . HIS DD   3     5          ND1  . HIS DD     5     6.422     2.227    -3.285 1.000     13.670 .     5    HIS D    ND1  .  1
ATOM        1180 H  HD1  . HIS DD   3     5          HD1  . HIS DD     5     6.094     1.441    -3.164 1.000     13.670 .     5    HIS D    HD1  c  1
ATOM        1181 C  CE1  . HIS DD   3     5          CE1  . HIS DD     5     7.677     2.478    -3.605 1.000     13.800 .     5    HIS D    CE1  .  1
ATOM        1182 H  HE1  . HIS DD   3     5          HE1  . HIS DD     5     8.343     1.842    -3.735 1.000     13.800 .     5    HIS D    HE1  c  1
ATOM        1183 N  NE2  . HIS DD   3     5          NE2  . HIS DD     5     7.813     3.775    -3.706 1.000     15.890 .     5    HIS D    NE2  .  1
ATOM        1184 H  HE2  . HIS DD   3     5          HE2  . HIS DD     5     8.540     4.186    -3.910 1.000     15.890 .     5    HIS D    HE2  c  1
ATOM        1185 C  CD2  . HIS DD   3     5          CD2  . HIS DD     5     6.611     4.375    -3.434 1.000     14.370 .     5    HIS D    CD2  .  1
ATOM        1186 H  HD2  . HIS DD   3     5          HD2  . HIS DD     5     6.439     5.289    -3.429 1.000     14.370 .     5    HIS D    HD2  c  1
ATOM        1187 C  C    . HIS DD   3     5          C    . HIS DD     5     1.927     3.526    -3.599 1.000     10.930 .     5    HIS D    C    .  1
ATOM        1188 O  O    . HIS DD   3     5          O    . HIS DD     5     1.486     4.573    -3.301 1.000     12.250 .     5    HIS D    O    .  1
ATOM        1189 H  H    . HIS DD   3     5          H    . HIS DD     5     4.193     5.324    -4.741 1.000     11.400 .     5    HIS D    H    c  1
ATOM        1190 N  N    . LEU DD   3     6          N    . LEU DD     6     1.258     2.383    -3.520 1.000      9.850 .     6    LEU D    N    .  1
ATOM        1191 C  CA   . LEU DD   3     6          CA   . LEU DD     6    -0.158     2.267    -3.145 1.000     10.270 .     6    LEU D    CA   .  1
ATOM        1192 H  HA   . LEU DD   3     6          HA   . LEU DD     6    -0.584     3.150    -3.166 1.000     10.270 .     6    LEU D    HA   c  1
ATOM        1193 C  CB   . LEU DD   3     6          CB   . LEU DD     6    -0.951     1.323    -4.049 1.000     11.890 .     6    LEU D    CB   .  1
ATOM        1194 H  HB3  . LEU DD   3     6          HB3  . LEU DD     6    -1.866     1.274    -3.730 1.000     11.890 .     6    LEU D    HB3  c  1
ATOM        1195 H  HB2  . LEU DD   3     6          HB2  . LEU DD     6    -0.589     0.427    -3.965 1.000     11.890 .     6    LEU D    HB2  c  1
ATOM        1196 C  CG   . LEU DD   3     6          CG   . LEU DD     6    -0.981     1.686    -5.520 1.000     12.120 .     6    LEU D    CG   .  1
ATOM        1197 H  HG   . LEU DD   3     6          HG   . LEU DD     6    -0.074     1.841    -5.826 1.000     12.120 .     6    LEU D    HG   c  1
ATOM        1198 C  CD1  . LEU DD   3     6          CD1  . LEU DD     6    -1.666     0.533    -6.287 1.000     11.190 .     6    LEU D    CD1  .  1
ATOM        1199 H  HD11 . LEU DD   3     6          HD11 . LEU DD     6    -1.163    -0.274    -6.154 1.000     11.190 .     6    LEU D    HD11 c  1
ATOM        1200 H  HD12 . LEU DD   3     6          HD12 . LEU DD     6    -1.690     0.750    -7.222 1.000     11.190 .     6    LEU D    HD12 c  1
ATOM        1201 H  HD13 . LEU DD   3     6          HD13 . LEU DD     6    -2.559     0.422    -5.952 1.000     11.190 .     6    LEU D    HD13 c  1
ATOM        1202 C  CD2  . LEU DD   3     6          CD2  . LEU DD     6    -1.774     2.948    -5.688 1.000     14.440 .     6    LEU D    CD2  .  1
ATOM        1203 H  HD21 . LEU DD   3     6          HD21 . LEU DD     6    -2.667     2.801    -5.368 1.000     14.440 .     6    LEU D    HD21 c  1
ATOM        1204 H  HD22 . LEU DD   3     6          HD22 . LEU DD     6    -1.797     3.181    -6.619 1.000     14.440 .     6    LEU D    HD22 c  1
ATOM        1205 H  HD23 . LEU DD   3     6          HD23 . LEU DD     6    -1.355     3.650    -5.184 1.000     14.440 .     6    LEU D    HD23 c  1
ATOM        1206 C  C    . LEU DD   3     6          C    . LEU DD     6    -0.270     1.681    -1.766 1.000     11.530 .     6    LEU D    C    .  1
ATOM        1207 O  O    . LEU DD   3     6          O    . LEU DD     6     0.068     0.502    -1.572 1.000     11.640 .     6    LEU D    O    .  1
ATOM        1208 H  H    . LEU DD   3     6          H    . LEU DD     6     1.851     1.599    -3.752 1.000      9.850 .     6    LEU D    H    c  1
ATOM        1209 N  N    . CYS DD   3     7          N    . CYS DD     7    -0.585     2.534    -0.828 1.000     11.680 .     7    CYS D    N    .  1
ATOM        1210 C  CA   . CYS DD   3     7          CA   . CYS DD     7    -0.550     2.108     0.540 1.000     15.790 .     7    CYS D    CA   .  1
ATOM        1211 H  HA   . CYS DD   3     7          HA   . CYS DD     7    -0.376     1.145     0.587 1.000     15.790 .     7    CYS D    HA   c  1
ATOM        1212 C  CB   . CYS DD   3     7          CB   . CYS DD     7     0.610     2.744     1.259 1.000     17.890 .     7    CYS D    CB   .  1
ATOM        1213 H  HB3  . CYS DD   3     7          HB3  . CYS DD     7     0.632     2.418     2.172 1.000     17.890 .     7    CYS D    HB3  c  1
ATOM        1214 H  HB2  . CYS DD   3     7          HB2  . CYS DD     7     0.479     3.705     1.282 1.000     17.890 .     7    CYS D    HB2  c  1
ATOM        1215 S  SG   . CYS DD   3     7          SG   . CYS DD     7     2.238     2.426     0.519 1.000     17.830 .     7    CYS D    SG   .  1
ATOM        1216 C  C    . CYS DD   3     7          C    . CYS DD     7    -1.821     2.374     1.299 1.000     14.670 .     7    CYS D    C    .  1
ATOM        1217 O  O    . CYS DD   3     7          O    . CYS DD     7    -2.643     3.283     0.999 1.000     13.170 .     7    CYS D    O    .  1
ATOM        1218 H  H    . CYS DD   3     7          H    . CYS DD     7    -0.840     3.464    -1.128 1.000     11.680 .     7    CYS D    H    c  1
ATOM        1219 N  N    . GLY DD   3     8          N    . GLY DD     8    -2.007     1.548     2.293 1.000     14.920 .     8    GLY D    N    .  1
ATOM        1220 C  CA   . GLY DD   3     8          CA   . GLY DD     8    -3.122     1.757     3.195 1.000     16.160 .     8    GLY D    CA   .  1
ATOM        1221 H  HA3  . GLY DD   3     8          HA3  . GLY DD     8    -3.039     2.620     3.630 1.000     16.160 .     8    GLY D    HA3  c  1
ATOM        1222 H  HA2  . GLY DD   3     8          HA2  . GLY DD     8    -3.104     1.095     3.904 1.000     16.160 .     8    GLY D    HA2  c  1
ATOM        1223 C  C    . GLY DD   3     8          C    . GLY DD     8    -4.458     1.697     2.544 1.000     13.360 .     8    GLY D    C    .  1
ATOM        1224 O  O    . GLY DD   3     8          O    . GLY DD     8    -4.724     0.846     1.719 1.000     13.700 .     8    GLY D    O    .  1
ATOM        1225 H  H    . GLY DD   3     8          H    . GLY DD     8    -1.343     0.792     2.375 1.000     14.920 .     8    GLY D    H    c  1
ATOM        1226 N  N    . SER DD   3     9          N    . SER DD     9    -5.351     2.622     2.942 1.000     12.030 .     9    SER D    N    .  1
ATOM        1227 C  CA   . SER DD   3     9          CA   . SER DD     9    -6.680     2.707     2.282 1.000     11.840 .     9    SER D    CA   .  1
ATOM        1228 H  HA   . SER DD   3     9          HA   . SER DD     9    -7.196     1.893     2.460 1.000     11.840 .     9    SER D    HA   c  1
ATOM        1229 C  CB   . SER DD   3     9          CB   . SER DD     9    -7.526     3.871     2.844 1.000     14.500 .     9    SER D    CB   .  1
ATOM        1230 H  HB3  . SER DD   3     9          HB3  . SER DD     9    -7.671     3.727     3.792 1.000     14.500 .     9    SER D    HB3  c  1
ATOM        1231 H  HB2  . SER DD   3     9          HB2  . SER DD     9    -8.379     3.893     2.382 1.000     14.500 .     9    SER D    HB2  c  1
ATOM        1232 O  OG   . SER DD   3     9          OG   . SER DD     9    -6.901     5.110     2.676 1.000     16.780 .     9    SER D    OG   .  1
ATOM        1233 H  HG   . SER DD   3     9          HG   . SER DD     9    -7.373     5.706     2.983 0.000     16.780 .     9    SER D    HG   c  1
ATOM        1234 C  C    . SER DD   3     9          C    . SER DD     9    -6.601     2.887     0.747 1.000     11.120 .     9    SER D    C    .  1
ATOM        1235 O  O    . SER DD   3     9          O    . SER DD     9    -7.513     2.471     0.014 1.000     12.150 .     9    SER D    O    .  1
ATOM        1236 H  H    . SER DD   3     9          H    . SER DD     9    -5.050     3.224     3.695 1.000     12.030 .     9    SER D    H    c  1
ATOM        1237 N  N    . HIS DD   3    10          N    . HIS DD    10    -5.498     3.417     0.270 1.000     11.220 .    10    HIS D    N    .  1
ATOM        1238 C  CA   . HIS DD   3    10          CA   . HIS DD    10    -5.370     3.634    -1.166 1.000     12.400 .    10    HIS D    CA   .  1
ATOM        1239 H  HA   . HIS DD   3    10          HA   . HIS DD    10    -6.149     4.125    -1.501 1.000     12.400 .    10    HIS D    HA   c  1
ATOM        1240 C  CB   . HIS DD   3    10          CB   . HIS DD    10    -4.186     4.530    -1.503 1.000     13.130 .    10    HIS D    CB   .  1
ATOM        1241 H  HB3  . HIS DD   3    10          HB3  . HIS DD    10    -4.209     4.741    -2.450 1.000     13.130 .    10    HIS D    HB3  c  1
ATOM        1242 H  HB2  . HIS DD   3    10          HB2  . HIS DD    10    -3.364     4.054    -1.306 1.000     13.130 .    10    HIS D    HB2  c  1
ATOM        1243 C  CG   . HIS DD   3    10          CG   . HIS DD    10    -4.196     5.790    -0.739 1.000     18.520 .    10    HIS D    CG   .  1
ATOM        1244 N  ND1  . HIS DD   3    10          ND1  . HIS DD    10    -5.041     6.822    -1.033 1.000     22.050 .    10    HIS D    ND1  .  1
ATOM        1245 H  HD1  . HIS DD   3    10          HD1  . HIS DD    10    -5.609     6.832    -1.679 1.000     22.050 .    10    HIS D    HD1  c  1
ATOM        1246 C  CE1  . HIS DD   3    10          CE1  . HIS DD    10    -4.855     7.797    -0.181 1.000     20.620 .    10    HIS D    CE1  .  1
ATOM        1247 H  HE1  . HIS DD   3    10          HE1  . HIS DD    10    -5.295     8.616    -0.187 1.000     20.620 .    10    HIS D    HE1  c  1
ATOM        1248 N  NE2  . HIS DD   3    10          NE2  . HIS DD    10    -3.946     7.429     0.682 1.000     25.960 .    10    HIS D    NE2  .  1
ATOM        1249 H  HE2  . HIS DD   3    10          HE2  . HIS DD    10    -3.661     7.903     1.340 1.000     25.960 .    10    HIS D    HE2  c  1
ATOM        1250 C  CD2  . HIS DD   3    10          CD2  . HIS DD    10    -3.523     6.165     0.365 1.000     21.700 .    10    HIS D    CD2  .  1
ATOM        1251 H  HD2  . HIS DD   3    10          HD2  . HIS DD    10    -2.891     5.663     0.826 1.000     21.700 .    10    HIS D    HD2  c  1
ATOM        1252 C  C    . HIS DD   3    10          C    . HIS DD    10    -5.258     2.339    -1.916 1.000     11.800 .    10    HIS D    C    .  1
ATOM        1253 O  O    . HIS DD   3    10          O    . HIS DD    10    -5.697     2.229    -3.014 1.000     12.050 .    10    HIS D    O    .  1
ATOM        1254 H  H    . HIS DD   3    10          H    . HIS DD    10    -4.785     3.649     0.946 1.000     11.220 .    10    HIS D    H    c  1
ATOM        1255 N  N    . LEU DD   3    11          N    . LEU DD    11    -4.700     1.360    -1.241 1.000     11.710 .    11    LEU D    N    .  1
ATOM        1256 C  CA   . LEU DD   3    11          CA   . LEU DD    11    -4.536     0.029    -1.818 1.000     12.540 .    11    LEU D    CA   .  1
ATOM        1257 H  HA   . LEU DD   3    11          HA   . LEU DD    11    -4.117     0.096    -2.701 1.000     12.540 .    11    LEU D    HA   c  1
ATOM        1258 C  CB   . LEU DD   3    11          CB   . LEU DD    11    -3.505    -0.725    -1.000 1.000     15.530 .    11    LEU D    CB   .  1
ATOM        1259 H  HB3  . LEU DD   3    11          HB3  . LEU DD    11    -3.875    -0.916    -0.124 1.000     15.530 .    11    LEU D    HB3  c  1
ATOM        1260 H  HB2  . LEU DD   3    11          HB2  . LEU DD    11    -2.739    -0.149    -0.848 1.000     15.530 .    11    LEU D    HB2  c  1
ATOM        1261 C  CG   . LEU DD   3    11          CG   . LEU DD    11    -2.972    -2.016    -1.531 1.000     16.110 .    11    LEU D    CG   .  1
ATOM        1262 H  HG   . LEU DD   3    11          HG   . LEU DD    11    -3.682    -2.677    -1.524 1.000     16.110 .    11    LEU D    HG   c  1
ATOM        1263 C  CD1  . LEU DD   3    11          CD1  . LEU DD    11    -2.564    -1.994    -3.004 1.000     16.060 .    11    LEU D    CD1  .  1
ATOM        1264 H  HD11 . LEU DD   3    11          HD11 . LEU DD    11    -3.330    -1.771    -3.537 1.000     16.060 .    11    LEU D    HD11 c  1
ATOM        1265 H  HD12 . LEU DD   3    11          HD12 . LEU DD    11    -2.238    -2.862    -3.251 1.000     16.060 .    11    LEU D    HD12 c  1
ATOM        1266 H  HD13 . LEU DD   3    11          HD13 . LEU DD    11    -1.875    -1.337    -3.128 1.000     16.060 .    11    LEU D    HD13 c  1
ATOM        1267 C  CD2  . LEU DD   3    11          CD2  . LEU DD    11    -1.849    -2.444    -0.587 1.000     19.890 .    11    LEU D    CD2  .  1
ATOM        1268 H  HD21 . LEU DD   3    11          HD21 . LEU DD    11    -1.169    -1.766    -0.582 1.000     19.890 .    11    LEU D    HD21 c  1
ATOM        1269 H  HD22 . LEU DD   3    11          HD22 . LEU DD    11    -1.479    -3.274    -0.898 1.000     19.890 .    11    LEU D    HD22 c  1
ATOM        1270 H  HD23 . LEU DD   3    11          HD23 . LEU DD    11    -2.208    -2.555     0.296 1.000     19.890 .    11    LEU D    HD23 c  1
ATOM        1271 C  C    . LEU DD   3    11          C    . LEU DD    11    -5.883    -0.685    -1.960 1.000     11.240 .    11    LEU D    C    .  1
ATOM        1272 O  O    . LEU DD   3    11          O    . LEU DD    11    -6.241    -1.321    -2.956 1.000     11.110 .    11    LEU D    O    .  1
ATOM        1273 H  H    . LEU DD   3    11          H    . LEU DD    11    -4.405     1.617    -0.310 1.000     11.710 .    11    LEU D    H    c  1
ATOM        1274 N  N    . VAL DD   3    12          N    . VAL DD    12    -6.735    -0.558    -0.930 1.000     11.780 .    12    VAL D    N    .  1
ATOM        1275 C  CA   . VAL DD   3    12          CA   . VAL DD    12    -8.069    -1.075    -0.989 1.000     12.140 .    12    VAL D    CA   .  1
ATOM        1276 H  HA   . VAL DD   3    12          HA   . VAL DD    12    -8.048    -2.034    -1.192 1.000     12.140 .    12    VAL D    HA   c  1
ATOM        1277 C  CB   . VAL DD   3    12          CB   . VAL DD    12    -8.730    -0.997     0.409 1.000     16.070 .    12    VAL D    CB   .  1
ATOM        1278 H  HB   . VAL DD   3    12          HB   . VAL DD    12    -8.579    -0.104     0.784 1.000     16.070 .    12    VAL D    HB   c  1
ATOM        1279 C  CG1  . VAL DD   3    12          CG1  . VAL DD    12   -10.163    -1.341     0.248 1.000     17.820 .    12    VAL D    CG1  .  1
ATOM        1280 H  HG11 . VAL DD   3    12          HG11 . VAL DD    12   -10.570    -0.712    -0.353 1.000     17.820 .    12    VAL D    HG11 c  1
ATOM        1281 H  HG12 . VAL DD   3    12          HG12 . VAL DD    12   -10.593    -1.297     1.105 1.000     17.820 .    12    VAL D    HG12 c  1
ATOM        1282 H  HG13 . VAL DD   3    12          HG13 . VAL DD    12   -10.233    -2.229    -0.110 1.000     17.820 .    12    VAL D    HG13 c  1
ATOM        1283 C  CG2  . VAL DD   3    12          CG2  . VAL DD    12    -8.066    -2.020     1.278 1.000     16.840 .    12    VAL D    CG2  .  1
ATOM        1284 H  HG21 . VAL DD   3    12          HG21 . VAL DD    12    -8.194    -2.889     0.891 1.000     16.840 .    12    VAL D    HG21 c  1
ATOM        1285 H  HG22 . VAL DD   3    12          HG22 . VAL DD    12    -8.461    -1.991     2.152 1.000     16.840 .    12    VAL D    HG22 c  1
ATOM        1286 H  HG23 . VAL DD   3    12          HG23 . VAL DD    12    -7.129    -1.821     1.335 1.000     16.840 .    12    VAL D    HG23 c  1
ATOM        1287 C  C    . VAL DD   3    12          C    . VAL DD    12    -8.943    -0.388    -2.049 1.000     11.000 .    12    VAL D    C    .  1
ATOM        1288 O  O    . VAL DD   3    12          O    . VAL DD    12    -9.752    -1.038    -2.742 1.000     11.030 .    12    VAL D    O    .  1
ATOM        1289 H  H    . VAL DD   3    12          H    . VAL DD    12    -6.347    -0.074    -0.133 1.000     11.780 .    12    VAL D    H    c  1
ATOM        1290 N  N    . GLU DD   3    13          N    . GLU DD    13    -8.833     0.913    -2.185 1.000      9.690 .    13    GLU D    N    .  1
ATOM        1291 C  CA   . GLU DD   3    13          CA   . GLU DD    13    -9.550     1.645    -3.205 1.000      9.270 .    13    GLU D    CA   .  1
ATOM        1292 H  HA   . GLU DD   3    13          HA   . GLU DD    13   -10.515     1.509    -3.099 1.000      9.270 .    13    GLU D    HA   c  1
ATOM        1293 C  CB   . GLU DD   3    13          CB   . GLU DD    13    -9.408     3.155    -3.020 1.000     12.060 .    13    GLU D    CB   .  1
ATOM        1294 H  HB3  . GLU DD   3    13          HB3  . GLU DD    13    -9.788     3.605    -3.791 1.000     12.060 .    13    GLU D    HB3  c  1
ATOM        1295 H  HB2  . GLU DD   3    13          HB2  . GLU DD    13    -8.466     3.379    -2.964 1.000     12.060 .    13    GLU D    HB2  c  1
ATOM        1296 C  CG   . GLU DD   3    13          CG   . GLU DD    13   -10.109     3.649    -1.766 1.000     13.780 .    13    GLU D    CG   .  1
ATOM        1297 H  HG3  . GLU DD   3    13          HG3  . GLU DD    13    -9.719     3.211    -0.993 0.000     13.780 .    13    GLU D    HG3  c  1
ATOM        1298 H  HG2  . GLU DD   3    13          HG2  . GLU DD    13   -11.054     3.439    -1.829 1.000     13.780 .    13    GLU D    HG2  c  1
ATOM        1302 C  C    . GLU DD   3    13          C    . GLU DD    13    -9.108     1.166    -4.615 1.000      9.430 .    13    GLU D    C    .  1
ATOM        1303 O  O    . GLU DD   3    13          O    . GLU DD    13    -9.906     1.075    -5.557 1.000      8.540 .    13    GLU D    O    .  1
ATOM        1304 H  H    . GLU DD   3    13          H    . GLU DD    13    -8.207     1.336    -1.515 1.000      9.690 .    13    GLU D    H    c  1
ATOM        1305 N  N    . ALA DD   3    14          N    . ALA DD    14    -7.811     0.939    -4.760 1.000      8.190 .    14    ALA D    N    .  1
ATOM        1306 C  CA   . ALA DD   3    14          CA   . ALA DD    14    -7.301     0.413    -6.044 1.000      8.690 .    14    ALA D    CA   .  1
ATOM        1307 H  HA   . ALA DD   3    14          HA   . ALA DD    14    -7.511     1.038    -6.769 1.000      8.690 .    14    ALA D    HA   c  1
ATOM        1308 C  CB   . ALA DD   3    14          CB   . ALA DD    14    -5.810     0.356    -6.009 1.000      9.420 .    14    ALA D    CB   .  1
ATOM        1309 H  HB1  . ALA DD   3    14          HB1  . ALA DD    14    -5.467     1.241    -5.866 1.000      9.420 .    14    ALA D    HB1  c  1
ATOM        1310 H  HB2  . ALA DD   3    14          HB2  . ALA DD    14    -5.491     0.014    -6.847 1.000      9.420 .    14    ALA D    HB2  c  1
ATOM        1311 H  HB3  . ALA DD   3    14          HB3  . ALA DD    14    -5.536    -0.222    -5.293 1.000      9.420 .    14    ALA D    HB3  c  1
ATOM        1312 C  C    . ALA DD   3    14          C    . ALA DD    14    -7.879    -0.927    -6.403 1.000      9.150 .    14    ALA D    C    .  1
ATOM        1313 O  O    . ALA DD   3    14          O    . ALA DD    14    -8.273    -1.160    -7.546 1.000      8.880 .    14    ALA D    O    .  1
ATOM        1314 H  H    . ALA DD   3    14          H    . ALA DD    14    -7.231     1.146    -3.959 1.000      8.190 .    14    ALA D    H    c  1
ATOM        1315 N  N    . LEU DD   3    15          N    . LEU DD    15    -7.955    -1.862    -5.471 1.000      8.550 .    15    LEU D    N    .  1
ATOM        1316 C  CA   . LEU DD   3    15          CA   . LEU DD    15    -8.617    -3.140    -5.743 1.000      8.560 .    15    LEU D    CA   .  1
ATOM        1317 H  HA   . LEU DD   3    15          HA   . LEU DD    15    -8.205    -3.572    -6.520 1.000      8.560 .    15    LEU D    HA   c  1
ATOM        1318 C  CB   . LEU DD   3    15          CB   . LEU DD    15    -8.475    -4.094    -4.517 1.000      9.620 .    15    LEU D    CB   .  1
ATOM        1319 H  HB3  . LEU DD   3    15          HB3  . LEU DD    15    -9.095    -4.833    -4.618 1.000      9.620 .    15    LEU D    HB3  c  1
ATOM        1320 H  HB2  . LEU DD   3    15          HB2  . LEU DD    15    -8.749    -3.621    -3.716 1.000      9.620 .    15    LEU D    HB2  c  1
ATOM        1321 C  CG   . LEU DD   3    15          CG   . LEU DD    15    -7.099    -4.643    -4.308 1.000     10.470 .    15    LEU D    CG   .  1
ATOM        1322 H  HG   . LEU DD   3    15          HG   . LEU DD    15    -6.464    -3.910    -4.299 1.000     10.470 .    15    LEU D    HG   c  1
ATOM        1323 C  CD1  . LEU DD   3    15          CD1  . LEU DD    15    -7.012    -5.356    -2.955 1.000     11.470 .    15    LEU D    CD1  .  1
ATOM        1324 H  HD11 . LEU DD   3    15          HD11 . LEU DD    15    -7.211    -4.728    -2.257 1.000     11.470 .    15    LEU D    HD11 c  1
ATOM        1325 H  HD12 . LEU DD   3    15          HD12 . LEU DD    15    -6.123    -5.700    -2.839 1.000     11.470 .    15    LEU D    HD12 c  1
ATOM        1326 H  HD13 . LEU DD   3    15          HD13 . LEU DD    15    -7.647    -6.076    -2.940 1.000     11.470 .    15    LEU D    HD13 c  1
ATOM        1327 C  CD2  . LEU DD   3    15          CD2  . LEU DD    15    -6.679    -5.587    -5.423 1.000      9.810 .    15    LEU D    CD2  .  1
ATOM        1328 H  HD21 . LEU DD   3    15          HD21 . LEU DD    15    -7.294    -6.323    -5.457 1.000      9.810 .    15    LEU D    HD21 c  1
ATOM        1329 H  HD22 . LEU DD   3    15          HD22 . LEU DD    15    -5.794    -5.911    -5.242 1.000      9.810 .    15    LEU D    HD22 c  1
ATOM        1330 H  HD23 . LEU DD   3    15          HD23 . LEU DD    15    -6.690    -5.111    -6.256 1.000      9.810 .    15    LEU D    HD23 c  1
ATOM        1331 C  C    . LEU DD   3    15          C    . LEU DD    15   -10.107    -3.001    -6.022 1.000      7.920 .    15    LEU D    C    .  1
ATOM        1332 O  O    . LEU DD   3    15          O    . LEU DD    15   -10.610    -3.651    -6.896 1.000      7.920 .    15    LEU D    O    .  1
ATOM        1333 H  H    . LEU DD   3    15          H    . LEU DD    15    -7.529    -1.618    -4.588 1.000      8.550 .    15    LEU D    H    c  1
ATOM        1334 N  N    . TYR DD   3    16          N    . TYR DD    16   -10.791    -2.129    -5.305 1.000      7.660 .    16    TYR D    N    .  1
ATOM        1335 C  CA   . TYR DD   3    16          CA   . TYR DD    16   -12.164    -1.917    -5.581 1.000      8.580 .    16    TYR D    CA   .  1
ATOM        1336 H  HA   . TYR DD   3    16          HA   . TYR DD    16   -12.675    -2.729    -5.381 1.000      8.580 .    16    TYR D    HA   c  1
ATOM        1337 C  CB   . TYR DD   3    16          CB   . TYR DD    16   -12.697    -0.816    -4.618 1.000      9.570 .    16    TYR D    CB   .  1
ATOM        1338 H  HB3  . TYR DD   3    16          HB3  . TYR DD    16   -12.174    -0.008    -4.741 1.000      9.570 .    16    TYR D    HB3  c  1
ATOM        1339 H  HB2  . TYR DD   3    16          HB2  . TYR DD    16   -12.593    -1.120    -3.703 1.000      9.570 .    16    TYR D    HB2  c  1
ATOM        1340 C  CG   . TYR DD   3    16          CG   . TYR DD    16   -14.171    -0.406    -4.774 1.000     11.550 .    16    TYR D    CG   .  1
ATOM        1341 C  CD1  . TYR DD   3    16          CD1  . TYR DD    16   -14.555     0.580    -5.631 1.000     14.240 .    16    TYR D    CD1  .  1
ATOM        1342 H  HD1  . TYR DD   3    16          HD1  . TYR DD    16   -13.911     1.026    -6.132 1.000     14.240 .    16    TYR D    HD1  c  1
ATOM        1343 C  CE1  . TYR DD   3    16          CE1  . TYR DD    16   -15.860     0.951    -5.792 1.000     15.410 .    16    TYR D    CE1  .  1
ATOM        1344 H  HE1  . TYR DD   3    16          HE1  . TYR DD    16   -16.084     1.623    -6.395 1.000     15.410 .    16    TYR D    HE1  c  1
ATOM        1345 C  CZ   . TYR DD   3    16          CZ   . TYR DD    16   -16.831     0.342    -5.074 1.000     15.020 .    16    TYR D    CZ   .  1
ATOM        1346 O  OH   . TYR DD   3    16          OH   . TYR DD    16   -18.140     0.715    -5.206 1.000     14.400 .    16    TYR D    OH   .  1
ATOM        1347 H  HH   . TYR DD   3    16          HH   . TYR DD    16   -18.386     0.607    -5.981 0.000     14.400 .    16    TYR D    HH   c  1
ATOM        1348 C  CE2  . TYR DD   3    16          CE2  . TYR DD    16   -16.466    -0.643    -4.187 1.000     13.720 .    16    TYR D    CE2  .  1
ATOM        1349 H  HE2  . TYR DD   3    16          HE2  . TYR DD    16   -17.111    -1.073    -3.674 1.000     13.720 .    16    TYR D    HE2  c  1
ATOM        1350 C  CD2  . TYR DD   3    16          CD2  . TYR DD    16   -15.147    -1.003    -4.049 1.000     13.760 .    16    TYR D    CD2  .  1
ATOM        1351 H  HD2  . TYR DD   3    16          HD2  . TYR DD    16   -14.917    -1.671    -3.445 1.000     13.760 .    16    TYR D    HD2  c  1
ATOM        1352 C  C    . TYR DD   3    16          C    . TYR DD    16   -12.375    -1.538    -7.057 1.000      8.520 .    16    TYR D    C    .  1
ATOM        1353 O  O    . TYR DD   3    16          O    . TYR DD    16   -13.238    -1.991    -7.705 1.000      9.440 .    16    TYR D    O    .  1
ATOM        1354 H  H    . TYR DD   3    16          H    . TYR DD    16   -10.276    -1.651    -4.580 1.000      7.660 .    16    TYR D    H    c  1
ATOM        1355 N  N    . LEU DD   3    17          N    . LEU DD    17   -11.521    -0.675    -7.512 1.000      8.350 .    17    LEU D    N    .  1
ATOM        1356 C  CA   . LEU DD   3    17          CA   . LEU DD    17   -11.574    -0.206    -8.858 1.000      8.220 .    17    LEU D    CA   .  1
ATOM        1357 H  HA   . LEU DD   3    17          HA   . LEU DD    17   -12.477     0.111    -9.067 1.000      8.220 .    17    LEU D    HA   c  1
ATOM        1358 C  CB   . LEU DD   3    17          CB   . LEU DD    17   -10.633     0.999    -9.040 1.000      7.510 .    17    LEU D    CB   .  1
ATOM        1359 H  HB3  . LEU DD   3    17          HB3  . LEU DD    17    -9.747     0.758    -8.728 1.000      7.510 .    17    LEU D    HB3  c  1
ATOM        1360 H  HB2  . LEU DD   3    17          HB2  . LEU DD    17   -10.932     1.722    -8.467 1.000      7.510 .    17    LEU D    HB2  c  1
ATOM        1361 C  CG   . LEU DD   3    17          CG   . LEU DD    17   -10.474     1.585   -10.480 1.000      7.640 .    17    LEU D    CG   .  1
ATOM        1362 H  HG   . LEU DD   3    17          HG   . LEU DD    17   -10.143     0.889   -11.069 1.000      7.640 .    17    LEU D    HG   c  1
ATOM        1363 C  CD1  . LEU DD   3    17          CD1  . LEU DD    17   -11.802     2.075   -11.042 1.000      8.390 .    17    LEU D    CD1  .  1
ATOM        1364 H  HD11 . LEU DD   3    17          HD11 . LEU DD    17   -12.416     1.338   -11.080 1.000      8.390 .    17    LEU D    HD11 c  1
ATOM        1365 H  HD12 . LEU DD   3    17          HD12 . LEU DD    17   -11.658     2.424   -11.925 1.000      8.390 .    17    LEU D    HD12 c  1
ATOM        1366 H  HD13 . LEU DD   3    17          HD13 . LEU DD    17   -12.149     2.763   -10.469 1.000      8.390 .    17    LEU D    HD13 c  1
ATOM        1367 C  CD2  . LEU DD   3    17          CD2  . LEU DD    17    -9.473     2.710   -10.449 1.000      8.670 .    17    LEU D    CD2  .  1
ATOM        1368 H  HD21 . LEU DD   3    17          HD21 . LEU DD    17    -9.789     3.393    -9.853 1.000      8.670 .    17    LEU D    HD21 c  1
ATOM        1369 H  HD22 . LEU DD   3    17          HD22 . LEU DD    17    -9.378     3.069   -11.335 1.000      8.670 .    17    LEU D    HD22 c  1
ATOM        1370 H  HD23 . LEU DD   3    17          HD23 . LEU DD    17    -8.630     2.370   -10.141 1.000      8.670 .    17    LEU D    HD23 c  1
ATOM        1371 C  C    . LEU DD   3    17          C    . LEU DD    17   -11.205    -1.259    -9.908 1.000      7.440 .    17    LEU D    C    .  1
ATOM        1372 O  O    . LEU DD   3    17          O    . LEU DD    17   -11.981    -1.527   -10.820 1.000      8.820 .    17    LEU D    O    .  1
ATOM        1373 H  H    . LEU DD   3    17          H    . LEU DD    17   -10.835    -0.379    -6.833 1.000      8.350 .    17    LEU D    H    c  1
ATOM        1374 N  N    . VAL DD   3    18          N    . VAL DD    18   -10.029    -1.853    -9.770 1.000      7.970 .    18    VAL D    N    .  1
ATOM        1375 C  CA   . VAL DD   3    18          CA   . VAL DD    18    -9.576    -2.737   -10.806 1.000      8.080 .    18    VAL D    CA   .  1
ATOM        1376 H  HA   . VAL DD   3    18          HA   . VAL DD    18    -9.710    -2.322   -11.684 1.000      8.080 .    18    VAL D    HA   c  1
ATOM        1377 C  CB   . VAL DD   3    18          CB   . VAL DD    18    -8.026    -2.868   -10.874 1.000      8.470 .    18    VAL D    CB   .  1
ATOM        1378 H  HB   . VAL DD   3    18          HB   . VAL DD    18    -7.781    -3.327   -11.705 1.000      8.470 .    18    VAL D    HB   c  1
ATOM        1379 C  CG1  . VAL DD   3    18          CG1  . VAL DD    18    -7.352    -1.507   -10.976 1.000      9.320 .    18    VAL D    CG1  .  1
ATOM        1380 H  HG11 . VAL DD   3    18          HG11 . VAL DD    18    -7.657    -1.066   -11.773 1.000      9.320 .    18    VAL D    HG11 c  1
ATOM        1381 H  HG12 . VAL DD   3    18          HG12 . VAL DD    18    -6.401    -1.631   -11.017 1.000      9.320 .    18    VAL D    HG12 c  1
ATOM        1382 H  HG13 . VAL DD   3    18          HG13 . VAL DD    18    -7.582    -0.986   -10.204 1.000      9.320 .    18    VAL D    HG13 c  1
ATOM        1383 C  CG2  . VAL DD   3    18          CG2  . VAL DD    18    -7.448    -3.653    -9.790 1.000      9.430 .    18    VAL D    CG2  .  1
ATOM        1384 H  HG21 . VAL DD   3    18          HG21 . VAL DD    18    -7.664    -3.236    -8.953 1.000      9.430 .    18    VAL D    HG21 c  1
ATOM        1385 H  HG22 . VAL DD   3    18          HG22 . VAL DD    18    -6.495    -3.686    -9.902 1.000      9.430 .    18    VAL D    HG22 c  1
ATOM        1386 H  HG23 . VAL DD   3    18          HG23 . VAL DD    18    -7.813    -4.541    -9.818 1.000      9.430 .    18    VAL D    HG23 c  1
ATOM        1387 C  C    . VAL DD   3    18          C    . VAL DD    18   -10.263    -4.067   -10.837 1.000      8.170 .    18    VAL D    C    .  1
ATOM        1388 O  O    . VAL DD   3    18          O    . VAL DD    18   -10.327    -4.734   -11.865 1.000      8.890 .    18    VAL D    O    .  1
ATOM        1389 H  H    . VAL DD   3    18          H    . VAL DD    18    -9.508    -1.647    -8.929 1.000      7.970 .    18    VAL D    H    c  1
ATOM        1390 N  N    . CYS DD   3    19          N    . CYS DD    19   -10.724    -4.533    -9.688 1.000      8.670 .    19    CYS D    N    .  1
ATOM        1391 C  CA   . CYS DD   3    19          CA   . CYS DD    19   -11.375    -5.820    -9.602 1.000      8.780 .    19    CYS D    CA   .  1
ATOM        1392 H  HA   . CYS DD   3    19          HA   . CYS DD    19   -10.908    -6.471   -10.167 1.000      8.780 .    19    CYS D    HA   c  1
ATOM        1393 C  CB   . CYS DD   3    19          CB   . CYS DD    19   -11.220    -6.479    -8.231 1.000      7.930 .    19    CYS D    CB   .  1
ATOM        1394 H  HB3  . CYS DD   3    19          HB3  . CYS DD    19   -11.647    -7.350    -8.249 1.000      7.930 .    19    CYS D    HB3  c  1
ATOM        1395 H  HB2  . CYS DD   3    19          HB2  . CYS DD    19   -11.669    -5.934    -7.566 1.000      7.930 .    19    CYS D    HB2  c  1
ATOM        1396 S  SG   . CYS DD   3    19          SG   . CYS DD    19    -9.501    -6.703    -7.712 1.000      8.050 .    19    CYS D    SG   .  1
ATOM        1397 C  C    . CYS DD   3    19          C    . CYS DD    19   -12.816    -5.804   -10.027 1.000      9.800 .    19    CYS D    C    .  1
ATOM        1398 O  O    . CYS DD   3    19          O    . CYS DD    19   -13.307    -6.765   -10.574 1.000     10.540 .    19    CYS D    O    .  1
ATOM        1399 H  H    . CYS DD   3    19          H    . CYS DD    19   -10.578    -3.915    -8.902 1.000      8.670 .    19    CYS D    H    c  1
ATOM        1400 N  N    . GLY DD   3    20          N    . GLY DD    20   -13.474    -4.705    -9.716 1.000      9.820 .    20    GLY D    N    .  1
ATOM        1401 C  CA   . GLY DD   3    20          CA   . GLY DD    20   -14.887    -4.555    -9.947 1.000     12.410 .    20    GLY D    CA   .  1
ATOM        1402 H  HA3  . GLY DD   3    20          HA3  . GLY DD    20   -15.056    -4.416   -10.892 1.000     12.410 .    20    GLY D    HA3  c  1
ATOM        1403 H  HA2  . GLY DD   3    20          HA2  . GLY DD    20   -15.215    -3.762    -9.495 1.000     12.410 .    20    GLY D    HA2  c  1
ATOM        1404 C  C    . GLY DD   3    20          C    . GLY DD    20   -15.651    -5.767    -9.467 1.000     11.260 .    20    GLY D    C    .  1
ATOM        1405 O  O    . GLY DD   3    20          O    . GLY DD    20   -15.352    -6.310    -8.396 1.000     11.920 .    20    GLY D    O    .  1
ATOM        1406 H  H    . GLY DD   3    20          H    . GLY DD    20   -12.886    -3.994    -9.305 1.000      9.820 .    20    GLY D    H    c  1
ATOM        1407 N  N    . GLU DD   3    21          N    . GLU DD    21   -16.531    -6.296   -10.325 1.000     12.900 .    21    GLU D    N    .  1
ATOM        1408 C  CA   . GLU DD   3    21          CA   . GLU DD    21   -17.374    -7.440    -9.941 1.000     13.150 .    21    GLU D    CA   .  1
ATOM        1409 H  HA   . GLU DD   3    21          HA   . GLU DD    21   -17.836    -7.248    -9.098 1.000     13.150 .    21    GLU D    HA   c  1
ATOM        1410 C  CB   . GLU DD   3    21          CB   . GLU DD    21   -18.535    -7.615   -10.972 1.000     16.600 .    21    GLU D    CB   .  1
ATOM        1411 H  HB3  . GLU DD   3    21          HB3  . GLU DD    21   -19.040    -8.412   -10.746 1.000     16.600 .    21    GLU D    HB3  c  1
ATOM        1412 H  HB2  . GLU DD   3    21          HB2  . GLU DD    21   -18.156    -7.729   -11.858 1.000     16.600 .    21    GLU D    HB2  c  1
ATOM        1413 C  CG   . GLU DD   3    21          CG   . GLU DD    21   -19.477    -6.426   -10.991 1.000     21.220 .    21    GLU D    CG   .  1
ATOM        1414 H  HG3  . GLU DD   3    21          HG3  . GLU DD    21   -18.957    -5.612   -11.075 1.000     21.220 .    21    GLU D    HG3  c  1
ATOM        1415 H  HG2  . GLU DD   3    21          HG2  . GLU DD    21   -19.987    -6.414   -10.166 1.000     21.220 .    21    GLU D    HG2  c  1
ATOM        1416 C  CD   . GLU DD   3    21          CD   . GLU DD    21   -20.462    -6.507   -12.179 1.000     29.370 .    21    GLU D    CD   .  1
ATOM        1417 O  OE1  . GLU DD   3    21          OE1  . GLU DD    21   -20.381    -7.469   -13.021 1.000     41.270 .    21    GLU D    OE1  .  1
ATOM        1418 O  OE2  . GLU DD   3    21          OE2  . GLU DD    21   -21.312    -5.574   -12.294 1.000     35.310 .    21    GLU D    OE2  .  1
ATOM        1419 C  C    . GLU DD   3    21          C    . GLU DD    21   -16.664    -8.745    -9.748 1.000     12.480 .    21    GLU D    C    .  1
ATOM        1420 O  O    . GLU DD   3    21          O    . GLU DD    21   -17.278    -9.737    -9.259 1.000     13.380 .    21    GLU D    O    .  1
ATOM        1421 H  H    . GLU DD   3    21          H    . GLU DD    21   -16.558    -5.848   -11.230 1.000     12.900 .    21    GLU D    H    c  1
ATOM        1422 N  N    . ARG DD   3    22          N    . ARG DD    22   -15.369    -8.846   -10.100 1.000     11.130 .    22    ARG D    N    .  1
ATOM        1423 C  CA   . ARG DD   3    22          CA   . ARG DD    22   -14.556   -10.047    -9.740 1.000     11.360 .    22    ARG D    CA   .  1
ATOM        1424 H  HA   . ARG DD   3    22          HA   . ARG DD    22   -14.969   -10.855   -10.111 1.000     11.360 .    22    ARG D    HA   c  1
ATOM        1425 C  CB   . ARG DD   3    22          CB   . ARG DD    22   -13.162   -10.002   -10.349 1.000     13.330 .    22    ARG D    CB   .  1
ATOM        1426 H  HB3  . ARG DD   3    22          HB3  . ARG DD    22   -12.662   -10.777   -10.050 1.000     13.330 .    22    ARG D    HB3  c  1
ATOM        1427 H  HB2  . ARG DD   3    22          HB2  . ARG DD    22   -12.708    -9.203   -10.040 1.000     13.330 .    22    ARG D    HB2  c  1
ATOM        1428 C  CG   . ARG DD   3    22          CG   . ARG DD    22   -13.152    -9.992   -11.858 1.000     19.230 .    22    ARG D    CG   .  1
ATOM        1429 H  HG3  . ARG DD   3    22          HG3  . ARG DD    22   -13.719    -9.270   -12.173 1.000     19.230 .    22    ARG D    HG3  c  1
ATOM        1430 H  HG2  . ARG DD   3    22          HG2  . ARG DD    22   -13.459   -10.853   -12.182 1.000     19.230 .    22    ARG D    HG2  c  1
ATOM        1431 C  CD   . ARG DD   3    22          CD   . ARG DD    22   -11.759    -9.761   -12.400 1.000     22.490 .    22    ARG D    CD   .  1
ATOM        1432 H  HD3  . ARG DD   3    22          HD3  . ARG DD    22   -11.216   -10.544   -12.218 1.000     22.490 .    22    ARG D    HD3  c  1
ATOM        1433 H  HD2  . ARG DD   3    22          HD2  . ARG DD    22   -11.383    -8.973   -11.978 1.000     22.490 .    22    ARG D    HD2  c  1
ATOM        1434 N  NE   . ARG DD   3    22          NE   . ARG DD    22   -11.843    -9.548   -13.852 1.000     30.930 .    22    ARG D    NE   .  1
ATOM        1435 H  HE   . ARG DD   3    22          HE   . ARG DD    22   -12.217    -8.710   -14.167 1.000     30.930 .    22    ARG D    HE   c  1
ATOM        1436 C  CZ   . ARG DD   3    22          CZ   . ARG DD    22   -11.450   -10.405   -14.793 1.000     31.030 .    22    ARG D    CZ   .  1
ATOM        1437 N  NH1  . ARG DD   3    22          NH1  . ARG DD    22   -10.828   -11.538   -14.477 1.000     35.800 .    22    ARG D    NH1  .  1
ATOM        1438 H  HH11 . ARG DD   3    22          HH11 . ARG DD    22   -10.673   -11.728   -13.653 1.000     35.800 .    22    ARG D    HH11 c  1
ATOM        1439 H  HH12 . ARG DD   3    22          HH12 . ARG DD    22   -10.581   -12.080   -15.097 1.000     35.800 .    22    ARG D    HH12 c  1
ATOM        1440 N  NH2  . ARG DD   3    22          NH2  . ARG DD    22   -11.617   -10.074   -16.072 1.000     38.660 .    22    ARG D    NH2  .  1
ATOM        1441 H  HH21 . ARG DD   3    22          HH21 . ARG DD    22   -11.973    -9.319   -16.278 1.000     38.660 .    22    ARG D    HH21 c  1
ATOM        1442 H  HH22 . ARG DD   3    22          HH22 . ARG DD    22   -11.369   -10.616   -16.692 1.000     38.660 .    22    ARG D    HH22 c  1
ATOM        1443 C  C    . ARG DD   3    22          C    . ARG DD    22   -14.434   -10.204    -8.242 1.000     11.340 .    22    ARG D    C    .  1
ATOM        1444 O  O    . ARG DD   3    22          O    . ARG DD    22   -14.257   -11.343    -7.777 1.000     12.210 .    22    ARG D    O    .  1
ATOM        1445 H  H    . ARG DD   3    22          H    . ARG DD    22   -15.015    -8.053   -10.615 1.000     11.130 .    22    ARG D    H    c  1
ATOM        1446 N  N    . GLY DD   3    23          N    . GLY DD    23   -14.408    -9.084    -7.539 1.000     10.560 .    23    GLY D    N    .  1
ATOM        1447 C  CA   . GLY DD   3    23          CA   . GLY DD    23   -14.199    -9.136    -6.081 1.000     10.760 .    23    GLY D    CA   .  1
ATOM        1448 H  HA3  . GLY DD   3    23          HA3  . GLY DD    23   -14.795    -9.790    -5.684 1.000     10.760 .    23    GLY D    HA3  c  1
ATOM        1449 H  HA2  . GLY DD   3    23          HA2  . GLY DD    23   -14.431    -8.283    -5.682 1.000     10.760 .    23    GLY D    HA2  c  1
ATOM        1450 C  C    . GLY DD   3    23          C    . GLY DD    23   -12.758    -9.485    -5.758 1.000     10.250 .    23    GLY D    C    .  1
ATOM        1451 O  O    . GLY DD   3    23          O    . GLY DD    23   -11.909    -9.634    -6.641 1.000      8.250 .    23    GLY D    O    .  1
ATOM        1452 H  H    . GLY DD   3    23          H    . GLY DD    23   -14.538    -8.232    -8.065 1.000     10.560 .    23    GLY D    H    c  1
ATOM        1453 N  N    . PHE DD   3    24          N    . PHE DD    24   -12.452    -9.495    -4.468 1.000      7.970 .    24    PHE D    N    .  1
ATOM        1454 C  CA   . PHE DD   3    24          CA   . PHE DD    24   -11.076    -9.664    -4.028 1.000      7.250 .    24    PHE D    CA   .  1
ATOM        1455 H  HA   . PHE DD   3    24          HA   . PHE DD    24   -10.648   -10.385    -4.536 1.000      7.250 .    24    PHE D    HA   c  1
ATOM        1456 C  CB   . PHE DD   3    24          CB   . PHE DD    24   -10.222    -8.381    -4.208 1.000      6.980 .    24    PHE D    CB   .  1
ATOM        1457 H  HB3  . PHE DD   3    24          HB3  . PHE DD    24   -10.116    -8.203    -5.156 1.000      6.980 .    24    PHE D    HB3  c  1
ATOM        1458 H  HB2  . PHE DD   3    24          HB2  . PHE DD    24    -9.347    -8.526    -3.815 1.000      6.980 .    24    PHE D    HB2  c  1
ATOM        1459 C  CG   . PHE DD   3    24          CG   . PHE DD    24   -10.809    -7.131    -3.569 1.000      7.680 .    24    PHE D    CG   .  1
ATOM        1460 C  CD1  . PHE DD   3    24          CD1  . PHE DD    24   -11.680    -6.346    -4.257 1.000      8.300 .    24    PHE D    CD1  .  1
ATOM        1461 H  HD1  . PHE DD   3    24          HD1  . PHE DD    24   -11.911    -6.570    -5.129 1.000      8.300 .    24    PHE D    HD1  c  1
ATOM        1462 C  CE1  . PHE DD   3    24          CE1  . PHE DD    24   -12.226    -5.239    -3.709 1.000      8.260 .    24    PHE D    CE1  .  1
ATOM        1463 H  HE1  . PHE DD   3    24          HE1  . PHE DD    24   -12.856    -4.747    -4.184 1.000      8.260 .    24    PHE D    HE1  c  1
ATOM        1464 C  CZ   . PHE DD   3    24          CZ   . PHE DD    24   -11.874    -4.840    -2.493 1.000      8.940 .    24    PHE D    CZ   .  1
ATOM        1465 H  HZ   . PHE DD   3    24          HZ   . PHE DD    24   -12.241    -4.065    -2.133 1.000      8.940 .    24    PHE D    HZ   c  1
ATOM        1466 C  CE2  . PHE DD   3    24          CE2  . PHE DD    24   -10.974    -5.574    -1.782 1.000      8.520 .    24    PHE D    CE2  .  1
ATOM        1467 H  HE2  . PHE DD   3    24          HE2  . PHE DD    24   -10.728    -5.306    -0.926 1.000      8.520 .    24    PHE D    HE2  c  1
ATOM        1468 C  CD2  . PHE DD   3    24          CD2  . PHE DD    24   -10.427    -6.711    -2.327 1.000      8.330 .    24    PHE D    CD2  .  1
ATOM        1469 H  HD2  . PHE DD   3    24          HD2  . PHE DD    24    -9.795    -7.194    -1.845 1.000      8.330 .    24    PHE D    HD2  c  1
ATOM        1470 C  C    . PHE DD   3    24          C    . PHE DD    24   -10.969    -9.995    -2.561 1.000      7.120 .    24    PHE D    C    .  1
ATOM        1471 O  O    . PHE DD   3    24          O    . PHE DD    24   -11.740    -9.553    -1.824 1.000      7.210 .    24    PHE D    O    .  1
ATOM        1472 H  H    . PHE DD   3    24          H    . PHE DD    24   -13.238    -9.378    -3.845 1.000      7.970 .    24    PHE D    H    c  1
ATOM        1473 N  N    . PHE DD   3    25          N    . PHE DD    25    -9.917   -10.708    -2.186 1.000      7.320 .    25    PHE D    N    .  1
ATOM        1474 C  CA   . PHE DD   3    25          CA   . PHE DD    25    -9.457   -10.767    -0.828 1.000      7.780 .    25    PHE D    CA   .  1
ATOM        1475 H  HA   . PHE DD   3    25          HA   . PHE DD    25   -10.213   -10.665    -0.213 1.000      7.780 .    25    PHE D    HA   c  1
ATOM        1476 C  CB   . PHE DD   3    25          CB   . PHE DD    25    -8.729   -12.104    -0.518 1.000      8.530 .    25    PHE D    CB   .  1
ATOM        1477 H  HB3  . PHE DD   3    25          HB3  . PHE DD    25    -8.286   -12.030     0.342 1.000      8.530 .    25    PHE D    HB3  c  1
ATOM        1478 H  HB2  . PHE DD   3    25          HB2  . PHE DD    25    -8.062   -12.267    -1.203 1.000      8.530 .    25    PHE D    HB2  c  1
ATOM        1479 C  CG   . PHE DD   3    25          CG   . PHE DD    25    -9.613   -13.317    -0.460 1.000      8.160 .    25    PHE D    CG   .  1
ATOM        1480 C  CD1  . PHE DD   3    25          CD1  . PHE DD    25    -9.862   -14.087    -1.565 1.000      8.370 .    25    PHE D    CD1  .  1
ATOM        1481 H  HD1  . PHE DD   3    25          HD1  . PHE DD    25    -9.466   -13.868    -2.377 1.000      8.370 .    25    PHE D    HD1  c  1
ATOM        1482 C  CE1  . PHE DD   3    25          CE1  . PHE DD    25   -10.679   -15.177    -1.522 1.000      9.670 .    25    PHE D    CE1  .  1
ATOM        1483 H  HE1  . PHE DD   3    25          HE1  . PHE DD    25   -10.839   -15.669    -2.295 1.000      9.670 .    25    PHE D    HE1  c  1
ATOM        1484 C  CZ   . PHE DD   3    25          CZ   . PHE DD    25   -11.248   -15.521    -0.327 1.000      9.850 .    25    PHE D    CZ   .  1
ATOM        1485 H  HZ   . PHE DD   3    25          HZ   . PHE DD    25   -11.819   -16.254    -0.277 1.000      9.850 .    25    PHE D    HZ   c  1
ATOM        1486 C  CE2  . PHE DD   3    25          CE2  . PHE DD    25   -10.975   -14.787     0.786 1.000     10.190 .    25    PHE D    CE2  .  1
ATOM        1487 H  HE2  . PHE DD   3    25          HE2  . PHE DD    25   -11.356   -15.020     1.602 1.000     10.190 .    25    PHE D    HE2  c  1
ATOM        1488 C  CD2  . PHE DD   3    25          CD2  . PHE DD    25   -10.140   -13.700     0.722 1.000     10.270 .    25    PHE D    CD2  .  1
ATOM        1489 H  HD2  . PHE DD   3    25          HD2  . PHE DD    25    -9.939   -13.228     1.498 1.000     10.270 .    25    PHE D    HD2  c  1
ATOM        1490 C  C    . PHE DD   3    25          C    . PHE DD    25    -8.437    -9.654    -0.590 1.000      8.380 .    25    PHE D    C    .  1
ATOM        1491 O  O    . PHE DD   3    25          O    . PHE DD    25    -7.564    -9.495    -1.360 1.000      8.060 .    25    PHE D    O    .  1
ATOM        1492 H  H    . PHE DD   3    25          H    . PHE DD    25    -9.483   -11.198    -2.956 1.000      7.320 .    25    PHE D    H    c  1
ATOM        1493 N  N    . PHE DD   3    26          N    . PHE DD    26    -8.598    -8.966     0.516 1.000      8.480 .    26    PHE D    N    .  1
ATOM        1494 C  CA   . PHE DD   3    26          CA   . PHE DD    26    -7.595    -8.047     1.004 1.000      8.830 .    26    PHE D    CA   .  1
ATOM        1495 H  HA   . PHE DD   3    26          HA   . PHE DD    26    -6.897    -7.923     0.328 1.000      8.830 .    26    PHE D    HA   c  1
ATOM        1496 C  CB   . PHE DD   3    26          CB   . PHE DD    26    -8.142    -6.652     1.268 1.000      8.550 .    26    PHE D    CB   .  1
ATOM        1497 H  HB3  . PHE DD   3    26          HB3  . PHE DD    26    -8.836    -6.708     1.943 1.000      8.550 .    26    PHE D    HB3  c  1
ATOM        1498 H  HB2  . PHE DD   3    26          HB2  . PHE DD    26    -8.527    -6.304     0.449 1.000      8.550 .    26    PHE D    HB2  c  1
ATOM        1499 C  CG   . PHE DD   3    26          CG   . PHE DD    26    -7.087    -5.683     1.748 1.000      9.090 .    26    PHE D    CG   .  1
ATOM        1500 C  CD1  . PHE DD   3    26          CD1  . PHE DD    26    -6.066    -5.274     0.907 1.000      9.840 .    26    PHE D    CD1  .  1
ATOM        1501 H  HD1  . PHE DD   3    26          HD1  . PHE DD    26    -6.043    -5.579     0.029 1.000      9.840 .    26    PHE D    HD1  c  1
ATOM        1502 C  CE1  . PHE DD   3    26          CE1  . PHE DD    26    -5.093    -4.431     1.346 1.000      9.700 .    26    PHE D    CE1  .  1
ATOM        1503 H  HE1  . PHE DD   3    26          HE1  . PHE DD    26    -4.423    -4.151     0.765 1.000      9.700 .    26    PHE D    HE1  c  1
ATOM        1504 C  CZ   . PHE DD   3    26          CZ   . PHE DD    26    -5.089    -3.999     2.609 1.000      9.720 .    26    PHE D    CZ   .  1
ATOM        1505 H  HZ   . PHE DD   3    26          HZ   . PHE DD    26    -4.417    -3.427     2.903 1.000      9.720 .    26    PHE D    HZ   c  1
ATOM        1506 C  CE2  . PHE DD   3    26          CE2  . PHE DD    26    -6.087    -4.410     3.466 1.000      9.900 .    26    PHE D    CE2  .  1
ATOM        1507 H  HE2  . PHE DD   3    26          HE2  . PHE DD    26    -6.091    -4.118     4.349 1.000      9.900 .    26    PHE D    HE2  c  1
ATOM        1508 C  CD2  . PHE DD   3    26          CD2  . PHE DD    26    -7.068    -5.246     3.017 1.000      9.130 .    26    PHE D    CD2  .  1
ATOM        1509 H  HD2  . PHE DD   3    26          HD2  . PHE DD    26    -7.739    -5.521     3.598 1.000      9.130 .    26    PHE D    HD2  c  1
ATOM        1510 C  C    . PHE DD   3    26          C    . PHE DD    26    -6.974    -8.569     2.273 1.000     10.200 .    26    PHE D    C    .  1
ATOM        1511 O  O    . PHE DD   3    26          O    . PHE DD    26    -7.642    -8.738     3.251 1.000      9.520 .    26    PHE D    O    .  1
ATOM        1512 H  H    . PHE DD   3    26          H    . PHE DD    26    -9.478    -9.145     0.977 1.000      8.480 .    26    PHE D    H    c  1
ATOM        1513 N  N    . THR DD   3    27          N    . THR DD    27    -5.651    -8.778     2.162 1.000     12.340 .    27    THR D    N    .  1
ATOM        1514 C  CA   . THR DD   3    27          CA   . THR DD    27    -4.884    -9.435     3.129 1.000     14.760 .    27    THR D    CA   .  1
ATOM        1515 H  HA   . THR DD   3    27          HA   . THR DD    27    -5.405    -9.547     3.951 1.000     14.760 .    27    THR D    HA   c  1
ATOM        1516 C  CB   . THR DD   3    27          CB   . THR DD    27    -4.489   -10.833     2.646 1.000     18.490 .    27    THR D    CB   .  1
ATOM        1517 H  HB   . THR DD   3    27          HB   . THR DD    27    -3.979   -10.751     1.825 1.000     18.490 .    27    THR D    HB   c  1
ATOM        1518 O  OG1  . THR DD   3    27          OG1  . THR DD    27    -5.698   -11.653     2.399 1.000     19.210 .    27    THR D    OG1  .  1
ATOM        1519 H  HG1  . THR DD   3    27          HG1  . THR DD    27    -5.482   -12.401     2.141 0.000     19.210 .    27    THR D    HG1  c  1
ATOM        1520 C  CG2  . THR DD   3    27          CG2  . THR DD    27    -3.596   -11.526     3.704 1.000     16.810 .    27    THR D    CG2  .  1
ATOM        1521 H  HG21 . THR DD   3    27          HG21 . THR DD    27    -2.799   -11.011     3.849 1.000     16.810 .    27    THR D    HG21 c  1
ATOM        1522 H  HG22 . THR DD   3    27          HG22 . THR DD    27    -3.347   -12.402     3.401 1.000     16.810 .    27    THR D    HG22 c  1
ATOM        1523 H  HG23 . THR DD   3    27          HG23 . THR DD    27    -4.072   -11.606     4.534 1.000     16.810 .    27    THR D    HG23 c  1
ATOM        1524 C  C    . THR DD   3    27          C    . THR DD    27    -3.647    -8.570     3.368 1.000     16.190 .    27    THR D    C    .  1
ATOM        1525 O  O    . THR DD   3    27          O    . THR DD    27    -2.683    -8.646     2.574 1.000     16.670 .    27    THR D    O    .  1
ATOM        1526 H  H    . THR DD   3    27          H    . THR DD    27    -5.281    -8.404     1.300 1.000     12.340 .    27    THR D    H    c  1
ATOM        1527 N  N    . PRO DD   3    28          N    . PRO DD    28    -3.758    -7.679     4.352 1.000     13.450 .    28    PRO D    N    .  1
ATOM        1528 C  CA   . PRO DD   3    28          CA   . PRO DD    28    -2.628    -6.861     4.728 1.000     14.970 .    28    PRO D    CA   .  1
ATOM        1529 H  HA   . PRO DD   3    28          HA   . PRO DD    28    -2.180    -6.519     3.926 1.000     14.970 .    28    PRO D    HA   c  1
ATOM        1530 C  CB   . PRO DD   3    28          CB   . PRO DD    28    -3.274    -5.761     5.500 1.000     15.230 .    28    PRO D    CB   .  1
ATOM        1531 H  HB3  . PRO DD   3    28          HB3  . PRO DD    28    -3.637    -5.110     4.879 1.000     15.230 .    28    PRO D    HB3  c  1
ATOM        1532 H  HB2  . PRO DD   3    28          HB2  . PRO DD    28    -2.629    -5.392     6.124 1.000     15.230 .    28    PRO D    HB2  c  1
ATOM        1533 C  CG   . PRO DD   3    28          CG   . PRO DD    28    -4.415    -6.477     6.262 1.000     14.390 .    28    PRO D    CG   .  1
ATOM        1534 H  HG3  . PRO DD   3    28          HG3  . PRO DD    28    -5.095    -5.826     6.497 1.000     14.390 .    28    PRO D    HG3  c  1
ATOM        1535 H  HG2  . PRO DD   3    28          HG2  . PRO DD    28    -4.044    -6.924     7.039 1.000     14.390 .    28    PRO D    HG2  c  1
ATOM        1536 C  CD   . PRO DD   3    28          CD   . PRO DD    28    -4.918    -7.458     5.252 1.000     17.380 .    28    PRO D    CD   .  1
ATOM        1537 H  HD3  . PRO DD   3    28          HD3  . PRO DD    28    -5.632    -7.047     4.741 1.000     17.380 .    28    PRO D    HD3  c  1
ATOM        1538 H  HD2  . PRO DD   3    28          HD2  . PRO DD    28    -5.126    -8.293     5.699 1.000     17.380 .    28    PRO D    HD2  c  1
ATOM        1539 C  C    . PRO DD   3    28          C    . PRO DD    28    -1.561    -7.601     5.587 1.000     14.500 .    28    PRO D    C    .  1
ATOM        1540 O  O    . PRO DD   3    28          O    . PRO DD    28    -1.639    -8.803     5.800 1.000     16.070 .    28    PRO D    O    .  1
ATOM        1541 N  N    . LYS DD   3    29          N    . LYS DD    29    -0.612    -6.793     6.012 1.000     17.340 .    29    LYS D    N    .  1
ATOM        1542 C  CA   . LYS DD   3    29          CA   . LYS DD    29     0.090    -6.802     7.284 1.000     26.400 .    29    LYS D    CA   .  1
ATOM        1543 H  HA   . LYS DD   3    29          HA   . LYS DD    29    -0.157    -6.012     7.809 1.000     26.400 .    29    LYS D    HA   c  1
ATOM        1544 C  CB   . LYS DD   3    29          CB   . LYS DD    29    -0.636    -7.600     8.409 1.000     19.980 .    29    LYS D    CB   .  1
ATOM        1545 H  HB3  . LYS DD   3    29          HB3  . LYS DD    29    -1.524    -7.843     8.102 1.000     19.980 .    29    LYS D    HB3  c  1
ATOM        1546 H  HB2  . LYS DD   3    29          HB2  . LYS DD    29    -0.723    -7.034     9.192 1.000     19.980 .    29    LYS D    HB2  c  1
ATOM        1547 C  CG   . LYS DD   3    29          CG   . LYS DD    29     0.082    -8.869     8.823 1.000     18.250 .    29    LYS D    CG   .  1
ATOM        1548 H  HG3  . LYS DD   3    29          HG3  . LYS DD    29     0.990    -8.648     9.084 1.000     18.250 .    29    LYS D    HG3  c  1
ATOM        1549 H  HG2  . LYS DD   3    29          HG2  . LYS DD    29     0.067    -9.496     8.083 1.000     18.250 .    29    LYS D    HG2  c  1
ATOM        1550 C  CD   . LYS DD   3    29          CD   . LYS DD    29    -0.670    -9.453    10.011 1.000     21.250 .    29    LYS D    CD   .  1
ATOM        1551 H  HD3  . LYS DD   3    29          HD3  . LYS DD    29    -1.620    -9.297     9.891 1.000     21.250 .    29    LYS D    HD3  c  1
ATOM        1552 H  HD2  . LYS DD   3    29          HD2  . LYS DD    29    -0.342    -9.042    10.826 1.000     21.250 .    29    LYS D    HD2  c  1
ATOM        1553 C  CE   . LYS DD   3    29          CE   . LYS DD    29    -0.503   -10.961    10.195 1.000     22.530 .    29    LYS D    CE   .  1
ATOM        1554 H  HE3  . LYS DD   3    29          HE3  . LYS DD    29    -0.716   -11.407     9.360 1.000     22.530 .    29    LYS D    HE3  c  1
ATOM        1555 H  HE2  . LYS DD   3    29          HE2  . LYS DD    29    -1.091   -11.259    10.907 1.000     22.530 .    29    LYS D    HE2  c  1
ATOM        1556 N  NZ   . LYS DD   3    29          NZ   . LYS DD    29     0.920   -11.232    10.566 1.000     22.670 .    29    LYS D    NZ   .  1
ATOM        1557 H  HZ1  . LYS DD   3    29          HZ1  . LYS DD    29     1.505   -10.923     9.871 1.000     22.670 .    29    LYS D    HZ1  c  1
ATOM        1558 H  HZ2  . LYS DD   3    29          HZ2  . LYS DD    29     1.054   -12.175    10.687 1.000     22.670 .    29    LYS D    HZ2  c  1
ATOM        1559 H  HZ3  . LYS DD   3    29          HZ3  . LYS DD    29     1.138   -10.778    11.383 1.000     22.670 .    29    LYS D    HZ3  c  1
ATOM        1560 C  C    . LYS DD   3    29          C    . LYS DD    29     1.608    -6.811     7.263 1.000     28.060 .    29    LYS D    C    .  1
ATOM        1561 O  O    . LYS DD   3    29          O    . LYS DD    29     2.232    -6.239     6.305 1.000     34.560 .    29    LYS D    O    .  1
ATOM        1562 H  H    . LYS DD   3    29          H    . LYS DD    29    -0.440    -6.128     5.271 1.000     17.340 .    29    LYS D    H    c  1
HETATM      1563 O  O    . HOH GG   4   .            O    . HOH GG     1     2.874    -8.296     2.229 1.000      4.540 .     1    HOH G    O    .  1
HETATM      1564 O  O    . HOH GG   4   .            O    . HOH GG     2    -7.341     4.028    -7.536 1.000      7.600 .     2    HOH G    O    .  1
HETATM      1565 O  O    . HOH GG   4   .            O    . HOH GG     3    -1.985    -9.848     0.028 1.000     10.380 .     3    HOH G    O    .  1
HETATM      1566 O  O    . HOH GG   4   .            O    . HOH GG     4     6.873     8.496   -21.444 1.000     10.540 .     4    HOH G    O    .  1
HETATM      1567 O  O    . HOH GG   4   .            O    . HOH GG     5     6.343    -4.136   -25.025 1.000     13.980 .     5    HOH G    O    .  1
HETATM      1568 O  O    . HOH GG   4   .            O    . HOH GG     6     2.987   -14.813     0.616 1.000     24.200 .     6    HOH G    O    .  1
HETATM      1569 O  O    . HOH GG   4   .            O    . HOH GG     7     2.482     0.480    -6.716 1.000      8.160 .     7    HOH G    O    .  1
HETATM      1570 O  O    . HOH GG   4   .            O    . HOH GG     8    -8.736   -12.382    -4.393 1.000      9.720 .     8    HOH G    O    .  1
HETATM      1571 O  O    . HOH GG   4   .            O    . HOH GG     9   -12.220     5.559   -11.835 1.000     12.370 .     9    HOH G    O    .  1
HETATM      1572 O  O    . HOH GG   4   .            O    . HOH GG    10    -1.831     1.393   -30.504 1.000     19.940 .    10    HOH G    O    .  1
HETATM      1573 O  O    . HOH GG   4   .            O    . HOH GG    11   -15.409    -0.760    -9.218 1.000     13.610 .    11    HOH G    O    .  1
HETATM      1574 O  O    . HOH GG   4   .            O    . HOH GG    12    -7.792    11.893   -21.156 1.000     10.830 .    12    HOH G    O    .  1
HETATM      1575 O  O    . HOH GG   4   .            O    . HOH GG    13     2.814    -1.635   -18.028 1.000      8.160 .    13    HOH G    O    .  1
HETATM      1576 O  O    . HOH GG   4   .            O    . HOH GG    14    10.095   -17.972   -18.545 1.000      9.090 .    14    HOH G    O    .  1
HETATM      1577 O  O    . HOH GG   4   .            O    . HOH GG    15    -6.467    11.993   -14.530 1.000     11.730 .    15    HOH G    O    .  1
HETATM      1578 O  O    . HOH GG   4   .            O    . HOH GG    16    -6.024   -11.015    -2.952 1.000      9.870 .    16    HOH G    O    .  1
HETATM      1579 O  O    . HOH GG   4   .            O    . HOH GG    17     1.093    -1.576   -15.751 1.000     10.380 .    17    HOH G    O    .  1
HETATM      1580 O  O    . HOH GG   4   .            O    . HOH GG    18   -14.342    -1.175   -11.907 1.000     10.940 .    18    HOH G    O    .  1
HETATM      1581 O  O    . HOH GG   4   .            O    . HOH GG    19    -5.032    10.147   -22.258 1.000     10.670 .    19    HOH G    O    .  1
HETATM      1582 O  O    . HOH GG   4   .            O    . HOH GG    20    -0.155    -7.824     2.037 1.000     13.280 .    20    HOH G    O    .  1
HETATM      1583 O  O    . HOH GG   4   .            O    . HOH GG    21    10.032     4.015   -22.542 1.000     16.660 .    21    HOH G    O    .  1
HETATM      1584 O  O    . HOH GG   4   .            O    . HOH GG    22     4.647     9.474   -20.007 1.000     12.470 .    22    HOH G    O    .  1
HETATM      1585 O  O    . HOH GG   4   .            O    . HOH GG    23   -14.226     1.012   -13.737 1.000     12.700 .    23    HOH G    O    .  1
HETATM      1586 O  O    . HOH GG   4   .            O    . HOH GG    24    -7.046    -4.736   -17.474 1.000     14.960 .    24    HOH G    O    .  1
HETATM      1587 O  O    . HOH GG   4   .            O    . HOH GG    25     8.691     6.419   -20.830 1.000     13.960 .    25    HOH G    O    .  1
HETATM      1588 O  O    . HOH GG   4   .            O    . HOH GG    26     4.735   -10.306    -2.170 1.000     12.460 .    26    HOH G    O    .  1
HETATM      1589 O  O    . HOH GG   4   .            O    . HOH GG    27     5.745     2.976     0.461 1.000     18.310 .    27    HOH G    O    .  1
HETATM      1590 O  O    . HOH GG   4   .            O    . HOH GG    28     0.484     0.351   -27.566 1.000     14.810 .    28    HOH G    O    .  1
HETATM      1591 O  O    . HOH GG   4   .            O    . HOH GG    29    -6.841   -12.169   -10.918 1.000     15.280 .    29    HOH G    O    .  1
HETATM      1592 O  O    . HOH GG   4   .            O    . HOH GG    30     7.058     6.998    -6.281 1.000     15.120 .    30    HOH G    O    .  1
HETATM      1593 O  O    . HOH GG   4   .            O    . HOH GG    31    12.088   -17.416   -16.624 1.000     11.940 .    31    HOH G    O    .  1
HETATM      1594 O  O    . HOH GG   4   .            O    . HOH GG    32     0.792     0.482    -9.063 1.000     10.300 .    32    HOH G    O    .  1
HETATM      1595 O  O    . HOH GG   4   .            O    . HOH GG    33     9.169     1.518    -0.007 1.000     14.600 .    33    HOH G    O    .  1
HETATM      1596 O  O    . HOH GG   4   .            O    . HOH GG    34    -0.384    -3.781     6.157 1.000     16.350 .    34    HOH G    O    .  1
HETATM      1597 O  O    . HOH GG   4   .            O    . HOH GG    35     7.030    -5.382     2.675 1.000     12.450 .    35    HOH G    O    .  1
HETATM      1598 O  O    . HOH GG   4   .            O    . HOH GG    36    -5.742    -4.508   -19.917 1.000     16.910 .    36    HOH G    O    .  1
HETATM      1599 O  O    . HOH GG   4   .            O    . HOH GG    37    -7.778   -15.012    -8.988 1.000     16.620 .    37    HOH G    O    .  1
HETATM      1600 O  O    . HOH GG   4   .            O    . HOH GG    38   -15.343     2.012    -9.401 1.000     13.520 .    38    HOH G    O    .  1
HETATM      1601 O  O    . HOH GG   4   .            O    . HOH GG    39   -11.797     3.135    -5.753 1.000     12.930 .    39    HOH G    O    .  1
HETATM      1602 O  O    . HOH GG   4   .            O    . HOH GG    40     7.574     3.489   -17.215 1.000     14.580 .    40    HOH G    O    .  1
HETATM      1603 O  O    . HOH GG   4   .            O    . HOH GG    41     0.619    -4.521   -16.288 1.000     13.080 .    41    HOH G    O    .  1
HETATM      1604 O  O    . HOH GG   4   .            O    . HOH GG    42    -6.221     4.366    -4.966 1.000     14.110 .    42    HOH G    O    .  1
HETATM      1605 O  O    . HOH GG   4   .            O    . HOH GG    43     9.242    -3.574   -24.154 1.000     17.820 .    43    HOH G    O    .  1
HETATM      1606 O  O    . HOH GG   4   .            O    . HOH GG    44     8.777     5.602   -18.252 1.000     16.200 .    44    HOH G    O    .  1
HETATM      1607 O  O    . HOH GG   4   .            O    . HOH GG    45   -14.849     0.706   -16.380 1.000     18.310 .    45    HOH G    O    .  1
HETATM      1608 O  O    . HOH GG   4   .            O    . HOH GG    46    12.393     5.012   -21.725 1.000     17.520 .    46    HOH G    O    .  1
HETATM      1609 O  O    . HOH GG   4   .            O    . HOH GG    47   -13.740     3.577    -7.713 1.000     13.020 .    47    HOH G    O    .  1
HETATM      1610 O  O    . HOH GG   4   .            O    . HOH GG    48    -1.290   -12.340     0.594 1.000     14.760 .    48    HOH G    O    .  1
HETATM      1611 O  O    . HOH GG   4   .            O    . HOH GG    49    -0.429     5.459    -1.504 1.000     18.910 .    49    HOH G    O    .  1
HETATM      1612 O  O    . HOH GG   4   .            O    . HOH GG    50    -0.127    -5.947   -23.674 1.000     14.990 .    50    HOH G    O    .  1
HETATM      1613 O  O    . HOH GG   4   .            O    . HOH GG    51   -14.269     3.993   -18.924 1.000     20.400 .    51    HOH G    O    .  1
HETATM      1614 O  O    . HOH GG   4   .            O    . HOH GG    52   -14.776    -3.406   -13.731 1.000     25.880 .    52    HOH G    O    .  1
HETATM      1615 O  O    . HOH GG   4   .            O    . HOH GG    53     0.442   -12.117     2.843 1.000     25.150 .    53    HOH G    O    .  1
HETATM      1616 O  O    . HOH GG   4   .            O    . HOH GG    54    -4.582    -9.013    -0.578 1.000     16.970 .    54    HOH G    O    .  1
HETATM      1617 O  O    . HOH GG   4   .            O    . HOH GG    55     7.296    -7.481   -18.439 1.000     15.660 .    55    HOH G    O    .  1
HETATM      1618 O  O    . HOH GG   4   .            O    . HOH GG    56   -15.102    -2.338   -16.193 1.000     17.800 .    56    HOH G    O    .  1
HETATM      1619 O  O    . HOH GG   4   .            O    . HOH GG    57    -0.359    -0.743     2.946 1.000     17.060 .    57    HOH G    O    .  1
HETATM      1620 O  O    . HOH GG   4   .            O    . HOH GG    58   -17.926     3.176    -9.044 1.000     20.380 .    58    HOH G    O    .  1
HETATM      1621 O  O    . HOH GG   4   .            O    . HOH GG    59    -4.607     4.624     4.974 1.000     23.730 .    59    HOH G    O    .  1
HETATM      1622 O  O    . HOH GG   4   .            O    . HOH GG    60     6.827    -7.709    -6.997 1.000     15.420 .    60    HOH G    O    .  1
HETATM      1623 O  O    . HOH GG   4   .            O    . HOH GG    61     6.630    -2.494   -11.560 1.000     21.490 .    61    HOH G    O    .  1
HETATM      1624 O  O    . HOH GG   4   .            O    . HOH GG    62     6.902     2.921   -28.045 1.000     19.930 .    62    HOH G    O    .  1
HETATM      1625 O  O    . HOH GG   4   .            O    . HOH GG    63    -3.853   -10.268     7.044 1.000     22.920 .    63    HOH G    O    .  1
HETATM      1626 O  O    . HOH GG   4   .            O    . HOH GG    64   -12.484    -5.620   -13.534 1.000     17.490 .    64    HOH G    O    .  1
HETATM      1627 O  O    . HOH GG   4   .            O    . HOH GG    65   -19.973   -10.091    -8.806 1.000     19.860 .    65    HOH G    O    .  1
HETATM      1628 O  O    . HOH GG   4   .            O    . HOH GG    66     7.339   -10.023   -15.557 1.000     17.030 .    66    HOH G    O    .  1
HETATM      1629 O  O    . HOH GG   4   .            O    . HOH GG    67   -15.030     5.458   -12.155 1.000     22.590 .    67    HOH G    O    .  1
HETATM      1630 O  O    . HOH GG   4   .            O    . HOH GG    68   -15.223     2.867   -12.017 1.000     20.460 .    68    HOH G    O    .  1
HETATM      1631 O  O    . HOH GG   4   .            O    . HOH GG    69     5.330     2.528     3.102 1.000     24.950 .    69    HOH G    O    .  1
HETATM      1632 O  O    . HOH GG   4   .            O    . HOH GG    70    -8.001    14.872   -16.182 1.000     25.010 .    70    HOH G    O    .  1
HETATM      1633 O  O    . HOH GG   4   .            O    . HOH GG    71   -15.136   -15.439    -6.611 1.000     27.140 .    71    HOH G    O    .  1
HETATM      1634 O  O    . HOH GG   4   .            O    . HOH GG    72     0.975     4.083    -8.750 1.000     19.660 .    72    HOH G    O    .  1
HETATM      1635 O  O    . HOH GG   4   .            O    . HOH GG    73     2.274   -12.692   -20.357 1.000     19.660 .    73    HOH G    O    .  1
HETATM      1636 O  O    . HOH GG   4   .            O    . HOH GG    74     5.248    -6.624   -24.868 1.000     23.010 .    74    HOH G    O    .  1
HETATM      1637 O  O    . HOH GG   4   .            O    . HOH GG    75    -3.988    12.622   -30.903 1.000     23.860 .    75    HOH G    O    .  1
HETATM      1638 O  O    . HOH GG   4   .            O    . HOH GG    76   -11.150    -3.583   -19.599 1.000     19.070 .    76    HOH G    O    .  1
HETATM      1639 O  O    . HOH GG   4   .            O    . HOH GG    77    11.188     3.182   -27.867 1.000     26.720 .    77    HOH G    O    .  1
HETATM      1640 O  O    . HOH GG   4   .            O    . HOH GG    78   -17.878     2.495   -13.636 1.000     29.880 .    78    HOH G    O    .  1
HETATM      1641 O  O    . HOH GG   4   .            O    . HOH GG    79    -0.053   -13.080    -1.818 1.000     13.950 .    79    HOH G    O    .  1
HETATM      1642 O  O    . HOH GG   4   .            O    . HOH GG    80    11.633     2.650    -0.861 1.000     20.890 .    80    HOH G    O    .  1
HETATM      1643 O  O    . HOH GG   4   .            O    . HOH GG    81     5.697     5.248   -28.849 1.000     19.080 .    81    HOH G    O    .  1
HETATM      1644 O  O    . HOH GG   4   .            O    . HOH GG    82    -3.270   -10.126   -14.031 1.000     15.860 .    82    HOH G    O    .  1
HETATM      1645 O  O    . HOH GG   4   .            O    . HOH GG    83   -16.715    -5.215   -13.127 1.000     20.070 .    83    HOH G    O    .  1
HETATM      1646 O  O    . HOH GG   4   .            O    . HOH GG    84     6.157    -4.975   -12.510 1.000     18.890 .    84    HOH G    O    .  1
HETATM      1647 O  O    . HOH GG   4   .            O    . HOH GG    85     8.089    -8.234    -4.891 1.000     21.230 .    85    HOH G    O    .  1
HETATM      1648 O  O    . HOH GG   4   .            O    . HOH GG    86     5.792    -5.307    -7.314 1.000     21.040 .    86    HOH G    O    .  1
HETATM      1649 O  O    . HOH GG   4   .            O    . HOH GG    87    -4.343     8.664    -3.699 1.000     31.500 .    87    HOH G    O    .  1
HETATM      1650 O  O    . HOH GG   4   .            O    . HOH GG    88     8.897   -11.094   -19.187 1.000     20.100 .    88    HOH G    O    .  1
HETATM      1651 O  O    . HOH GG   4   .            O    . HOH GG    89    -0.684     7.836   -33.275 1.000     22.960 .    89    HOH G    O    .  1
HETATM      1652 O  O    . HOH GG   4   .            O    . HOH GG    90     9.583    -1.234    -7.055 1.000     29.410 .    90    HOH G    O    .  1
HETATM      1653 O  O    . HOH GG   4   .            O    . HOH GG    91    10.293   -13.002   -20.514 1.000     23.560 .    91    HOH G    O    .  1
HETATM      1654 O  O    . HOH GG   4   .            O    . HOH GG    92     8.419    -8.856   -20.720 1.000     23.740 .    92    HOH G    O    .  1
HETATM      1655 O  O    . HOH GG   4   .            O    . HOH GG    93    10.005     0.781    -4.960 1.000     27.530 .    93    HOH G    O    .  1
HETATM      1656 O  O    . HOH GG   4   .            O    . HOH GG    94    11.404    -0.791    -3.346 1.000     22.770 .    94    HOH G    O    .  1
HETATM      1657 O  O    . HOH GG   4   .            O    . HOH GG    95    13.289     0.788    -1.981 1.000     24.800 .    95    HOH G    O    .  1
HETATM      1658 O  O    . HOH GG   4   .            O    . HOH GG    96     0.670   -10.378    -8.193 1.000      7.580 .    96    HOH G    O    .  1
HETATM      1659 O  O    . HOH GG   4   .            O    . HOH GG    97     8.093    -6.613   -13.236 1.000     23.250 .    97    HOH G    O    .  1
HETATM      1660 O  O    . HOH GG   4   .            O    . HOH GG    98     7.919    -9.737   -12.893 1.000     26.730 .    98    HOH G    O    .  1
HETATM      1661 O  O    . HOH GG   4   .            O    . HOH GG    99     1.305    -9.929   -15.913 1.000     26.470 .    99    HOH G    O    .  1
HETATM      1662 O  O    . HOH GG   4   .            O    . HOH GG   100    -0.489     7.461   -27.576 1.000     29.630 .   100    HOH G    O    .  1
HETATM      1663 O  O    . HOH GG   4   .            O    . HOH GG   101    -2.683     9.458   -23.659 1.000     18.780 .   101    HOH G    O    .  1
HETATM      1664 O  O    . HOH GG   4   .            O    . HOH GG   102     2.431    -0.239   -29.264 1.000     20.890 .   102    HOH G    O    .  1
HETATM      1665 O  O    . HOH GG   4   .            O    . HOH GG   103     5.878    -3.655   -27.817 1.000     20.900 .   103    HOH G    O    .  1
HETATM      1666 O  O    . HOH GG   4   .            O    . HOH GG   104     3.100    -3.029   -29.256 1.000     24.640 .   104    HOH G    O    .  1
HETATM      1667 O  O    . HOH GG   4   .            O    . HOH GG   105    -4.124    -4.616   -30.433 1.000     27.240 .   105    HOH G    O    .  1
HETATM      1668 O  O    . HOH GG   4   .            O    . HOH GG   106    -6.484    -4.947   -31.760 1.000     26.020 .   106    HOH G    O    .  1
HETATM      1669 O  O    . HOH GG   4   .            O    . HOH GG   107     1.413    -8.189   -21.441 1.000     23.540 .   107    HOH G    O    .  1
HETATM      1670 O  O    . HOH GG   4   .            O    . HOH GG   108    -5.059    16.379   -29.987 1.000     24.210 .   108    HOH G    O    .  1
HETATM      1671 O  O    . HOH GG   4   .            O    . HOH GG   109    -7.915    -8.132   -19.136 1.000     31.230 .   109    HOH G    O    .  1
HETATM      1672 O  O    . HOH GG   4   .            O    . HOH GG   110    -9.754    -5.335   -17.968 1.000     18.680 .   110    HOH G    O    .  1
HETATM      1673 O  O    . HOH GG   4   .            O    . HOH GG   111   -11.947    -5.810   -16.335 1.000     21.450 .   111    HOH G    O    .  1
HETATM      1674 O  O    . HOH GG   4   .            O    . HOH GG   112   -13.334    -3.779   -17.886 1.000     19.160 .   112    HOH G    O    .  1
HETATM      1675 O  O    . HOH GG   4   .            O    . HOH GG   113     6.166     9.670    -9.826 1.000     30.470 .   113    HOH G    O    .  1
HETATM      1676 O  O    . HOH GG   4   .            O    . HOH GG   114     4.537     5.571     0.196 1.000     27.270 .   114    HOH G    O    .  1
HETATM      1677 O  O    . HOH GG   4   .            O    . HOH GG   115    10.323     4.774    -4.697 1.000     33.510 .   115    HOH G    O    .  1
HETATM      1678 O  O    . HOH GG   4   .            O    . HOH GG   116    10.102    -0.693   -17.000 1.000     35.650 .   116    HOH G    O    .  1
HETATM      1679 O  O    . HOH GG   4   .            O    . HOH GG   117   -14.695    13.350   -16.574 1.000     27.880 .   117    HOH G    O    .  1
HETATM      1680 O  O    . HOH GG   4   .            O    . HOH GG   118     7.361     4.076   -14.741 1.000     23.690 .   118    HOH G    O    .  1
HETATM      1681 O  O    . HOH GG   4   .            O    . HOH GG   119    10.429    -2.682   -19.284 1.000     25.180 .   119    HOH G    O    .  1
HETATM      1682 O  O    . HOH GG   4   .            O    . HOH GG   120    -8.750   -16.073   -11.338 1.000     37.310 .   120    HOH G    O    .  1
HETATM      1683 O  O    . HOH GG   4   .            O    . HOH GG   121   -11.361   -17.662    -8.540 1.000     31.950 .   121    HOH G    O    .  1
HETATM      1684 O  O    . HOH GG   4   .            O    . HOH GG   122    -5.187    -6.993   -20.419 1.000     26.740 .   122    HOH G    O    .  1
HETATM      1685 O  O    . HOH GG   4   .            O    . HOH GG   123    12.219    -1.017   -22.934 1.000     27.130 .   123    HOH G    O    .  1
HETATM      1686 O  O    . HOH GG   4   .            O    . HOH GG   124     8.789    -7.625   -16.001 1.000     25.850 .   124    HOH G    O    .  1
HETATM      1687 O  O    . HOH GG   4   .            O    . HOH GG   125     5.120    -0.451   -12.374 1.000     20.370 .   125    HOH G    O    .  1
HETATM      1688 O  O    . HOH GG   4   .            O    . HOH GG   126     6.188    -0.846     3.274 1.000     33.130 .   126    HOH G    O    .  1
HETATM      1689 O  O    . HOH GG   4   .            O    . HOH GG   127     2.030    -2.332     6.468 1.000     22.550 .   127    HOH G    O    .  1
HETATM      1690 O  O    . HOH GG   4   .            O    . HOH GG   128    -2.530    -2.005     5.005 1.000     12.050 .   128    HOH G    O    .  1
HETATM      1691 O  O    . HOH GG   4   .            O    . HOH GG   129    -4.974    -2.850     7.281 1.000     31.360 .   129    HOH G    O    .  1
HETATM      1692 O  O    . HOH GG   4   .            O    . HOH GG   130    -1.515    -4.419     8.786 1.000     26.190 .   130    HOH G    O    .  1
HETATM      1693 O  O    . HOH GG   4   .            O    . HOH GG   131    -0.224    -3.676    10.624 1.000     43.640 .   131    HOH G    O    .  1
HETATM      1694 O  O    . HOH GG   4   .            O    . HOH GG   132    -3.801    -3.700     9.571 1.000     27.860 .   132    HOH G    O    .  1
HETATM      1695 O  O    . HOH GG   4   .            O    . HOH GG   133     1.852    -0.378     4.684 1.000     27.590 .   133    HOH G    O    .  1
HETATM      1696 O  O    . HOH GG   4   .            O    . HOH GG   134     1.814   -10.478     7.057 1.000     22.050 .   134    HOH G    O    .  1
HETATM      1697 O  O    . HOH GG   4   .            O    . HOH GG   135    -0.074   -11.075     5.167 1.000     23.140 .   135    HOH G    O    .  1
HETATM      1698 O  O    . HOH GG   4   .            O    . HOH GG   136     6.598     2.095   -12.701 1.000     30.560 .   136    HOH G    O    .  1
HETATM      1699 O  O    . HOH GG   4   .            O    . HOH GG   137    -0.257    -2.623   -31.910 1.000     31.580 .   137    HOH G    O    .  1
HETATM      1700 O  O    . HOH GG   4   .            O    . HOH GG   138    -3.144    -2.930   -32.200 1.000     25.080 .   138    HOH G    O    .  1
HETATM      1701 O  O    . HOH GG   4   .            O    . HOH GG   139     1.524    11.615    -4.206 1.000     32.760 .   139    HOH G    O    .  1
HETATM      1702 O  O    . HOH GG   4   .            O    . HOH GG   140     0.111     8.923    -4.064 1.000     24.940 .   140    HOH G    O    .  1
HETATM      1703 O  O    . HOH GG   4   .            O    . HOH GG   141   -12.683     5.555    -4.328 1.000     28.370 .   141    HOH G    O    .  1
HETATM      1704 O  O    . HOH GG   4   .            O    . HOH GG   142   -15.745     7.116   -10.049 1.000     33.350 .   142    HOH G    O    .  1
HETATM      1705 O  O    . HOH GG   4   .            O    . HOH GG   143     7.884     3.952     0.093 1.000     28.550 .   143    HOH G    O    .  1
HETATM      1706 O  O    . HOH GG   4   .            O    . HOH GG   144     7.869     7.626    -3.701 1.000     31.130 .   144    HOH G    O    .  1
HETATM      1707 O  O    . HOH GG   4   .            O    . HOH GG   145     7.611    -5.485   -28.972 1.000     31.160 .   145    HOH G    O    .  1
HETATM      1708 O  O    . HOH GG   4   .            O    . HOH GG   146    -8.332   -11.743     3.068 1.000     25.810 .   146    HOH G    O    .  1
HETATM      1709 O  O    . HOH GG   4   .            O    . HOH GG   147     5.055     0.697   -29.395 1.000     28.550 .   147    HOH G    O    .  1
HETATM      1710 O  O    . HOH GG   4   .            O    . HOH GG   148     6.559    -1.680   -29.122 1.000     34.150 .   148    HOH G    O    .  1
HETATM      1711 O  O    . HOH GG   4   .            O    . HOH GG   149    10.455    -5.783   -23.476 1.000     30.310 .   149    HOH G    O    .  1
HETATM      1712 O  O    . HOH GG   4   .            O    . HOH GG   150    -8.239    18.498   -17.429 1.000     32.700 .   150    HOH G    O    .  1
HETATM      1713 O  O    . HOH GG   4   .            O    . HOH GG   151    -7.635    -6.541   -22.932 1.000     44.730 .   151    HOH G    O    .  1
HETATM      1714 O  O    . HOH GG   4   .            O    . HOH GG   152   -15.677   -13.228    -7.628 1.000     32.190 .   152    HOH G    O    .  1
HETATM      1715 O  O    . HOH GG   4   .            O    . HOH GG   153    -1.669     7.806    -2.375 1.000     27.140 .   153    HOH G    O    .  1
HETATM      1716 O  O    . HOH GG   4   .            O    . HOH GG   154     9.158     0.828   -15.573 1.000     34.600 .   154    HOH G    O    .  1
HETATM      1717 O  O    . HOH GG   4   .            O    . HOH GG   155     2.920   -12.964     1.225 1.000     15.840 .   155    HOH G    O    .  1
HETATM      1718 O  O    . HOH GG   4   .            O    . HOH GG   156    -2.338   -12.854   -12.922 1.000     30.820 .   156    HOH G    O    .  1
HETATM      1719 O  O    . HOH GG   4   .            O    . HOH GG   157     2.363    10.549    -0.580 1.000     44.070 .   157    HOH G    O    .  1
HETATM      1720 O  O    . HOH GG   4   .            O    . HOH GG   158     5.200    11.150    -0.481 1.000     54.680 .   158    HOH G    O    .  1
HETATM      1721 O  O    . HOH GG   4   .            O    . HOH GG   159     8.406     6.500    -1.139 1.000     39.070 .   159    HOH G    O    .  1
HETATM      1722 O  O    . HOH GG   4   .            O    . HOH GG   160    -7.753     6.769    -2.981 1.000     31.890 .   160    HOH G    O    .  1
HETATM      1723 O  O    . HOH GG   4   .            O    . HOH GG   161    11.020    -9.728   -17.847 1.000     41.860 .   161    HOH G    O    .  1
HETATM      1724 O  O4   . SO4 EE   5   .            O4   . SO4 EE     1    -3.459   -13.494     0.944 1.000     29.620 .     1    SO4 E    O4   .  1
HETATM      1725 S  S    . SO4 EE   5   .            S    . SO4 EE     1    -3.810   -14.936     0.963 1.000     20.370 .     1    SO4 E    S    .  1
HETATM      1726 O  O1   . SO4 EE   5   .            O1   . SO4 EE     1    -2.335   -15.415     0.612 1.000     23.460 .     1    SO4 E    O1   .  1
HETATM      1727 O  O2   . SO4 EE   5   .            O2   . SO4 EE     1    -4.393   -15.545    -0.167 1.000     16.540 .     1    SO4 E    O2   .  1
HETATM      1728 O  O3   . SO4 EE   5   .            O3   . SO4 EE     1    -4.607   -15.379     2.180 1.000     25.490 .     1    SO4 E    O3   .  1
HETATM      1729 O  O4   . SO4 Ea   5   .            O4   . SO4 Ea     2    12.784   -13.441   -18.952 1.000     34.650 .     2    SO4 E    O4   .  1
HETATM      1730 S  S    . SO4 Ea   5   .            S    . SO4 Ea     2    13.320   -14.853   -18.819 1.000     44.120 .     2    SO4 E    S    .  1
HETATM      1731 O  O1   . SO4 Ea   5   .            O1   . SO4 Ea     2    14.663   -15.102   -19.486 1.000     37.340 .     2    SO4 E    O1   .  1
HETATM      1732 O  O2   . SO4 Ea   5   .            O2   . SO4 Ea     2    12.347   -15.700   -19.616 1.000     41.160 .     2    SO4 E    O2   .  1
HETATM      1733 O  O3   . SO4 Ea   5   .            O3   . SO4 Ea     2    13.356   -15.246   -17.331 1.000     31.930 .     2    SO4 E    O3   .  1
#
data_comp_list
loop_
   _chem_comp.id
   _chem_comp.three_letter_code
   _chem_comp.name
   _chem_comp.group
   _chem_comp.number_atoms_all
   _chem_comp.number_atoms_nh
SO4       SO4 'SULFATE ION'                        non-polymer        5    0
#
data_comp_SO4
loop_
   _chem_comp_atom.comp_id
   _chem_comp_atom.atom_id
   _chem_comp_atom.type_symbol
   _chem_comp_atom.type_energy
   _chem_comp_atom.partial_charge
   _chem_comp_atom.x
   _chem_comp_atom.y
   _chem_comp_atom.z
SO4       O4   O  OS    -1.000       0.000    0.000    0.000
SO4       S    S  ST     0.000      -1.427    0.000   -0.360
SO4       O1   O  OS     0.000      -1.733   -1.201   -1.153
SO4       O2   O  OS     0.000      -1.733    1.201   -1.153
SO4       O3   O  OS    -1.000      -2.241    0.000    0.865
#
loop_
   _chem_comp_bond.comp_id
   _chem_comp_bond.atom_id_1
   _chem_comp_bond.atom_id_2
   _chem_comp_bond.type
   _chem_comp_bond.value_dist
   _chem_comp_bond.value_dist_esd
SO4       O1   S    deloc    1.480   0.020
SO4       O2   S    deloc    1.480   0.020
SO4       O3   S    deloc    1.480   0.020
SO4       S    O4   deloc    1.480   0.020
#
#
loop_
   _chem_comp_angle.comp_id
   _chem_comp_angle.atom_id_1
   _chem_comp_angle.atom_id_2
   _chem_comp_angle.atom_id_3
   _chem_comp_angle.value_angle
   _chem_comp_angle.value_angle_esd
SO4       O4   S    O1    109.500   3.000
SO4       O4   S    O2    109.500   3.000
SO4       O4   S    O3    109.500   3.000
SO4       O1   S    O2    109.500   3.000
SO4       O1   S    O3    109.500   3.000
SO4       O2   S    O3    109.500   3.000
