data_2yli_qFit
_cell.length_a                    53.266
_cell.length_b                    53.266
_cell.length_c                    180.731
_cell.angle_alpha                 90.000
_cell.angle_beta                  90.000
_cell.angle_gamma                 120.000
_cell.volume                      444082.276
_space_group.crystal_system       hexagonal
_space_group.IT_number            179
_space_group.name_H-M_alt         'P 65 2 2'
_space_group.name_Hall            ' P 65 2 (x,y,z+1/12)'
_symmetry.space_group_name_H-M    'P 65 2 2'
_symmetry.space_group_name_Hall   ' P 65 2 (x,y,z+1/12)'
_symmetry.Int_Tables_number       179
_reflns.B_iso_Wilson_estimate     17.85
_refine.pdbx_refine_id            'X-RAY DIFFRACTION'
_refine.ls_d_res_low              28.45
_refine.ls_d_res_high             1.40
_refine.pdbx_ls_sigma_F           1.30
_refine.ls_percent_reflns_obs     93.04
_refine.ls_number_reflns_obs      28708
_refine.ls_number_reflns_R_work   26714
_refine.ls_number_reflns_R_free   1994
_refine.ls_R_factor_obs           0.1639
_refine.ls_R_factor_R_work        0.1617
_refine.ls_R_factor_R_free        0.1924
_refine.ls_percent_reflns_R_free  6.95
_refine.solvent_model_details     'FLAT BULK SOLVENT MODEL'
_refine.pdbx_solvent_vdw_probe_radii 1.1000
_refine.pdbx_solvent_shrinkage_radii 0.9000
_refine.overall_SU_ML             0.1290
_refine.pdbx_overall_phase_error  22.2533
_refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2'
_refine.B_iso_mean                22.70
_refine.pdbx_ls_cross_valid_method 'FREE R-VALUE'
_exptl.method                     'X-RAY DIFFRACTION'
loop_
  _space_group_symop.id
  _space_group_symop.operation_xyz
   1 x,y,z
   2 x-y,x,z+5/6
   3 y,-x+y,z+1/6
   4 -y,x-y,z+2/3
   5 -x+y,-x,z+1/3
   6 x-y,-y,-z
   7 -x,-x+y,-z+1/3
   8 -x,-y,z+1/2
   9 y,x,-z+2/3
   10 -y,-x,-z+1/6
   11 -x+y,y,-z+1/2
   12 x,x-y,-z+5/6

loop_
  _software.pdbx_ordinal
  _software.name
  _software.version
  _software.type
  _software.contact_author
  _software.contact_author_email
  _software.location
  _software.classification
  _software.language
   1 Phenix 2.0_5824 program 'Paul D. Adams' pdadams@lbl.gov https://www.phenix-online.org/ refinement Python/C++

loop_
  _em_software.id
  _em_software.name
  _em_software.version
  _em_software.category
  _em_software.details
   1 Phenix 2.0_5824 'MODEL REFINEMENT' .

loop_
  _citation.id
  _citation.title
  _citation.journal_abbrev
  _citation.journal_volume
  _citation.page_first
  _citation.page_last
  _citation.year
  _citation.journal_id_ASTM
  _citation.journal_id_ISSN
  _citation.journal_id_CSD
  _citation.pdbx_database_id_PubMed
  _citation.pdbx_database_id_DOI
   1 'Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix' 'Acta Crystallogr., Sect. D: Biol. Crystallogr.' 75 861 877 2019 ABCRE6 0907-4449 0766 31588918 10.1107/S2059798319011471

loop_
  _citation_author.citation_id
  _citation_author.name
  _citation_author.ordinal
  _citation_author.identifier_ORCID
   1 'Liebschner, D.' 1 0000-0003-3921-3209
   1 'Afonine, P.V.' 2 0000-0002-5052-991X
   1 'Baker, M.L.' 3 ?
   1 'Bunkoczi, G.' 4 ?
   1 'Chen, V.B.' 5 0000-0003-2492-979X
   1 'Croll, T.I.' 6 ?
   1 'Hintze, B.' 7 0000-0002-4871-2096
   1 'Hung, L.W.' 8 0000-0001-6690-8458
   1 'Jain, S.' 9 ?
   1 'McCoy, A.J.' 10 ?
   1 'Moriarty, N.W.' 11 0000-0001-8857-9464
   1 'Oeffner, R.D.' 12 0000-0003-3107-2202
   1 'Poon, B.K.' 13 0000-0001-9633-6067
   1 'Prisant, M.G.' 14 ?
   1 'Read, R.J.' 15 0000-0001-8273-0047
   1 'Richardson, J.S.' 16 0000-0002-3311-2944
   1 'Richardson, D.C.' 17 ?
   1 'Sammito, M.D.' 18 0000-0002-8346-9247
   1 'Sobolev, O.V.' 19 0000-0002-0623-3214
   1 'Stockwell, D.H.' 20 ?
   1 'Terwilliger, T.C.' 21 0000-0001-6384-0320
   1 'Urzhumtsev, A.G.' 22 ?
   1 'Videau, L.L.' 23 ?
   1 'Williams, C.J.' 24 ?
   1 'Adams, P.D.' 25 0000-0001-9333-8219

loop_
  _refine_ls_restr.pdbx_refine_id
  _refine_ls_restr.type
  _refine_ls_restr.number
  _refine_ls_restr.dev_ideal
  _refine_ls_restr.weight
  _refine_ls_restr.pdbx_restraint_function
   'X-RAY DIFFRACTION' f_bond_d 1340 0.0215 ? ?
   'X-RAY DIFFRACTION' f_angle_d 1843 1.9109 ? ?
   'X-RAY DIFFRACTION' f_chiral_restr 185 0.1108 ? ?
   'X-RAY DIFFRACTION' f_plane_restr 245 0.0143 ? ?
   'X-RAY DIFFRACTION' f_dihedral_angle_d 505 14.5828 ? ?

loop_
  _refine_ls_shell.pdbx_refine_id
  _refine_ls_shell.d_res_high
  _refine_ls_shell.d_res_low
  _refine_ls_shell.number_reflns_R_work
  _refine_ls_shell.R_factor_R_work
  _refine_ls_shell.percent_reflns_obs
  _refine_ls_shell.R_factor_R_free
  _refine_ls_shell.number_reflns_R_free
   'X-RAY DIFFRACTION' 3.38 28.45 2255 0.1700 98.30 0.2002 169
   'X-RAY DIFFRACTION' 2.68 3.38 2073 0.1621 97.08 0.1937 154
   'X-RAY DIFFRACTION' 2.34 2.68 2036 0.1511 97.63 0.1686 152
   'X-RAY DIFFRACTION' 2.13 2.34 2007 0.1454 97.51 0.1678 149
   'X-RAY DIFFRACTION' 1.98 2.13 1960 0.1525 95.68 0.1844 145
   'X-RAY DIFFRACTION' 1.86 1.98 1919 0.1541 93.73 0.1806 144
   'X-RAY DIFFRACTION' 1.77 1.86 1884 0.1591 93.40 0.1817 140
   'X-RAY DIFFRACTION' 1.69 1.77 1917 0.1617 94.15 0.2093 143
   'X-RAY DIFFRACTION' 1.62 1.69 1868 0.1536 93.79 0.1909 141
   'X-RAY DIFFRACTION' 1.57 1.62 1881 0.1612 93.87 0.2092 139
   'X-RAY DIFFRACTION' 1.52 1.57 1878 0.1677 93.39 0.2291 142
   'X-RAY DIFFRACTION' 1.48 1.52 1862 0.1729 92.72 0.2392 139
   'X-RAY DIFFRACTION' 1.44 1.48 1806 0.2048 91.08 0.2329 135
   'X-RAY DIFFRACTION' 1.40 1.44 1368 0.2982 68.69 0.3661 102

loop_
  _struct_asym.id
   A
   B
   C
   D
   E
   F
   G
   H

loop_
  _struct_conn.id
  _struct_conn.conn_type_id
  _struct_conn.ptnr1_auth_comp_id
  _struct_conn.ptnr1_auth_asym_id
  _struct_conn.ptnr1_auth_seq_id
  _struct_conn.ptnr1_auth_atom_id
  _struct_conn.ptnr1_label_comp_id
  _struct_conn.ptnr1_label_asym_id
  _struct_conn.ptnr1_label_seq_id
  _struct_conn.ptnr1_label_atom_id
  _struct_conn.ptnr1_role
  _struct_conn.ptnr2_auth_comp_id
  _struct_conn.ptnr2_auth_asym_id
  _struct_conn.ptnr2_auth_seq_id
  _struct_conn.ptnr2_auth_atom_id
  _struct_conn.ptnr2_label_comp_id
  _struct_conn.ptnr2_label_asym_id
  _struct_conn.ptnr2_label_seq_id
  _struct_conn.ptnr2_label_atom_id
  _struct_conn.ptnr2_role
  _struct_conn.details
   C00001 covale PHE A 2 N PHE A 1 N . PCA A 1 C PCA A 127 C . 'Bond created based on atom type and distance.'
   C00002 covale CYS A 116 SG CYS A 115 SG . HEC A 128 CAB HEC B . CAB . 'Bond created based on atom type and distance.'
   C00003 covale CYS A 119 SG CYS A 118 SG . HEC A 128 CAC HEC B . CAC . 'Bond created based on atom type and distance.'
   C00004 covale HIS A 120 NE2 HIS A 119 NE2 . HEC A 128 FE HEC B . FE . 'Bond created based on atom type and distance.'

loop_
  _atom_type.symbol
  _atom_type.scat_dispersion_real
  _atom_type.scat_dispersion_imag
  _atom_type.scat_Cromer_Mann_a1
  _atom_type.scat_Cromer_Mann_a2
  _atom_type.scat_Cromer_Mann_a3
  _atom_type.scat_Cromer_Mann_a4
  _atom_type.scat_Cromer_Mann_b1
  _atom_type.scat_Cromer_Mann_b2
  _atom_type.scat_Cromer_Mann_b3
  _atom_type.scat_Cromer_Mann_b4
  _atom_type.scat_Cromer_Mann_c
  _atom_type.scat_source
  _atom_type.scat_dispersion_source
   C . . 3.54356 2.42580 . . 25.62398 1.50364 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   Fe . . 20.90327 4.99816 . . 2.55100 38.46870 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   H . . 0.51345 0.48472 . . 24.73122 6.32584 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   N . . 4.01032 2.96436 . . 19.97189 1.75589 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   O . . 4.49882 3.47563 . . 15.80542 1.70748 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   S . . 9.55732 6.39887 . . 1.23737 29.19336 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .

loop_
  _chem_comp.id
   ALA
   ARG
   ASN
   ASP
   CYS
   GLN
   GLU
   GLY
   HEC
   HIS
   HOH
   ILE
   LEU
   LYS
   MET
   PCA
   PHE
   PRO
   SER
   THR
   TRP
   TYR
   VAL

loop_
  _atom_site.group_PDB
  _atom_site.id
  _atom_site.label_atom_id
  _atom_site.label_alt_id
  _atom_site.label_comp_id
  _atom_site.auth_asym_id
  _atom_site.auth_seq_id
  _atom_site.pdbx_PDB_ins_code
  _atom_site.Cartn_x
  _atom_site.Cartn_y
  _atom_site.Cartn_z
  _atom_site.occupancy
  _atom_site.B_iso_or_equiv
  _atom_site.type_symbol
  _atom_site.pdbx_formal_charge
  _atom_site.label_asym_id
  _atom_site.label_entity_id
  _atom_site.label_seq_id
  _atom_site.auth_atom_id
  _atom_site.pdbx_PDB_model_num
   ATOM 1 N . PHE A 2 ? -3.29770 22.31590 27.31747 1.000 17.46014 N ? A ? 1 N 1
   ATOM 2 CA . PHE A 2 ? -1.89490 21.97969 26.99545 1.000 19.01324 C ? A ? 1 CA 1
   ATOM 3 C . PHE A 2 ? -1.58669 20.73101 27.80802 1.000 19.39233 C ? A ? 1 C 1
   ATOM 4 O . PHE A 2 ? -1.65559 20.74540 29.07928 1.000 20.76890 O ? A ? 1 O 1
   ATOM 5 CB . PHE A 2 ? -0.98149 23.15383 27.25666 1.000 20.14538 C ? A ? 1 CB 1
   ATOM 6 CG . PHE A 2 ? -1.36430 24.36692 26.45479 1.000 16.48185 C ? A ? 1 CG 1
   ATOM 7 CD1 . PHE A 2 ? -1.51080 24.29755 25.05042 1.000 16.68517 C ? A ? 1 CD1 1
   ATOM 8 CD2 . PHE A 2 ? -1.56229 25.58760 27.09109 1.000 18.47071 C ? A ? 1 CD2 1
   ATOM 9 CE1 . PHE A 2 ? -1.91921 25.42141 24.35701 1.000 17.91497 C ? A ? 1 CE1 1
   ATOM 10 CE2 . PHE A 2 ? -1.95795 26.70354 26.39923 1.000 17.22428 C ? A ? 1 CE2 1
   ATOM 11 CZ . PHE A 2 ? -2.08463 26.62332 24.99937 1.000 16.66154 C ? A ? 1 CZ 1
   ATOM 12 HA . PHE A 2 ? -1.73260 21.79466 26.05720 1.000 22.81588 H ? A ? 1 HA 1
   ATOM 13 HB2 . PHE A 2 ? -1.02609 23.38725 28.19710 1.000 24.17445 H ? A ? 1 HB2 1
   ATOM 14 HB3 . PHE A 2 ? -0.07375 22.90862 27.01838 1.000 24.17445 H ? A ? 1 HB3 1
   ATOM 15 HD1 . PHE A 2 ? -1.33432 23.50441 24.59800 1.000 20.02221 H ? A ? 1 HD1 1
   ATOM 16 HD2 . PHE A 2 ? -1.42290 25.64859 28.00856 1.000 22.16485 H ? A ? 1 HD2 1
   ATOM 17 HE1 . PHE A 2 ? -2.08404 25.36257 23.44363 1.000 21.49797 H ? A ? 1 HE1 1
   ATOM 18 HE2 . PHE A 2 ? -2.13922 27.49855 26.84643 1.000 20.66914 H ? A ? 1 HE2 1
   ATOM 19 HZ . PHE A 2 ? -2.28123 27.38786 24.50771 1.000 19.99385 H ? A ? 1 HZ 1
   ATOM 20 N . ALA A 3 ? -1.25122 19.63754 27.15339 1.000 21.02073 N ? A ? 2 N 1
   ATOM 21 CA . ALA A 3 ? -0.96536 18.42128 27.91194 1.000 23.12633 C ? A ? 2 CA 1
   ATOM 22 C . ALA A 3 ? 0.32205 18.52022 28.68868 1.000 29.93053 C ? A ? 2 C 1
   ATOM 23 O . ALA A 3 ? 0.39055 18.01034 29.83272 1.000 24.99902 O ? A ? 2 O 1
   ATOM 24 CB . ALA A 3 ? -0.94719 17.26969 26.93566 1.000 26.93917 C ? A ? 2 CB 1
   ATOM 25 H . ALA A 3 ? -1.18195 19.56720 26.29907 1.000 25.22488 H ? A ? 2 H 1
   ATOM 26 HA . ALA A 3 ? -1.65650 18.26223 28.57370 1.000 27.75160 H ? A ? 2 HA 1
   ATOM 27 HB1 . ALA A 3 ? -0.72866 16.45419 27.41326 1.000 32.32701 H ? A ? 2 HB1 1
   ATOM 28 HB2 . ALA A 3 ? -1.82290 17.18878 26.52640 1.000 32.32701 H ? A ? 2 HB2 1
   ATOM 29 HB3 . ALA A 3 ? -0.27862 17.44348 26.25470 1.000 32.32701 H ? A ? 2 HB3 1
   ATOM 30 N . LYS A 4 ? 1.32710 19.21937 28.16000 1.000 22.61441 N ? A ? 3 N 1
   ATOM 31 CA . LYS A 4 ? 2.60806 19.41393 28.77551 1.000 24.01194 C ? A ? 3 CA 1
   ATOM 32 C . LYS A 4 ? 3.00585 20.86507 28.59905 1.000 24.04225 C ? A ? 3 C 1
   ATOM 33 O . LYS A 4 ? 2.51369 21.55641 27.69292 1.000 21.37686 O ? A ? 3 O 1
   ATOM 34 CB . LYS A 4 ? 3.67339 18.49860 28.13236 1.000 23.92765 C ? A ? 3 CB 1
   ATOM 35 CG . LYS A 4 ? 3.38975 17.02912 28.28810 1.000 29.05265 C ? A ? 3 CG 1
   ATOM 36 CD . LYS A 4 ? 4.47205 16.19520 27.54690 1.000 49.24738 C ? A ? 3 CD 1
   ATOM 37 CE . LYS A 4 ? 4.18938 14.69453 27.56465 1.000 54.10142 C ? A ? 3 CE 1
   ATOM 38 NZ . LYS A 4 ? 5.14185 13.92449 26.67015 1.000 61.48346 N ? A ? 3 NZ 1
   ATOM 39 H . LYS A 4 ? 1.27239 19.60975 27.39567 1.000 27.13730 H ? A ? 3 H 1
   ATOM 40 HA . LYS A 4 ? 2.56041 19.21794 29.72431 1.000 28.81433 H ? A ? 3 HA 1
   ATOM 41 HB2 . LYS A 4 ? 3.71746 18.69196 27.18285 1.000 28.71318 H ? A ? 3 HB2 1
   ATOM 42 HB3 . LYS A 4 ? 4.53096 18.67961 28.54794 1.000 28.71318 H ? A ? 3 HB3 1
   ATOM 43 HG2 . LYS A 4 ? 3.40421 16.79146 29.22842 1.000 34.86318 H ? A ? 3 HG2 1
   ATOM 44 HG3 . LYS A 4 ? 2.52233 16.82161 27.90676 1.000 34.86318 H ? A ? 3 HG3 1
   ATOM 45 HD2 . LYS A 4 ? 4.50986 16.48034 26.62053 1.000 59.09686 H ? A ? 3 HD2 1
   ATOM 46 HD3 . LYS A 4 ? 5.33032 16.34181 27.97444 1.000 59.09686 H ? A ? 3 HD3 1
   ATOM 47 HE2 . LYS A 4 ? 4.28917 14.36189 28.47035 1.000 64.92170 H ? A ? 3 HE2 1
   ATOM 48 HE3 . LYS A 4 ? 3.28520 14.53658 27.25095 1.000 64.92170 H ? A ? 3 HE3 1
   ATOM 49 HZ1 . LYS A 4 ? 4.95087 13.05569 26.69860 1.000 73.78015 H ? A ? 3 HZ1 1
   ATOM 50 HZ2 . LYS A 4 ? 5.06782 14.20914 25.83016 1.000 73.78015 H ? A ? 3 HZ2 1
   ATOM 51 HZ3 . LYS A 4 ? 5.98034 14.04500 26.94312 1.000 73.78015 H ? A ? 3 HZ3 1
   ATOM 52 N . PRO A 5 ? 3.89849 21.34574 29.40411 1.000 22.01713 N ? A ? 4 N 1
   ATOM 53 CA . PRO A 5 ? 4.40931 22.69595 29.23049 1.000 23.58131 C ? A ? 4 CA 1
   ATOM 54 C . PRO A 5 ? 4.87104 22.94795 27.80813 1.000 21.54337 C ? A ? 4 C 1
   ATOM 55 O . PRO A 5 ? 4.71898 24.06222 27.30216 1.000 19.86022 O ? A ? 4 O 1
   ATOM 56 CB . PRO A 5 ? 5.51076 22.82011 30.29760 1.000 27.18105 C ? A ? 4 CB 1
   ATOM 57 CG . PRO A 5 ? 5.16300 21.76497 31.28334 1.000 33.69699 C ? A ? 4 CG 1
   ATOM 58 CD . PRO A 5 ? 4.41735 20.67617 30.62309 1.000 28.84398 C ? A ? 4 CD 1
   ATOM 59 HA . PRO A 5 ? 3.73881 23.35710 29.46333 1.000 28.29757 H ? A ? 4 HA 1
   ATOM 60 HB2 . PRO A 5 ? 6.38149 22.65897 29.90168 1.000 32.61726 H ? A ? 4 HB2 1
   ATOM 61 HB3 . PRO A 5 ? 5.48829 23.70135 30.70234 1.000 32.61726 H ? A ? 4 HB3 1
   ATOM 62 HG2 . PRO A 5 ? 5.98368 21.41545 31.66443 1.000 40.43639 H ? A ? 4 HG2 1
   ATOM 63 HG3 . PRO A 5 ? 4.61606 22.16082 31.97980 1.000 40.43639 H ? A ? 4 HG3 1
   ATOM 64 HD2 . PRO A 5 ? 5.00498 19.93931 30.39370 1.000 34.61278 H ? A ? 4 HD2 1
   ATOM 65 HD3 . PRO A 5 ? 3.69170 20.35971 31.18361 1.000 34.61278 H ? A ? 4 HD3 1
   ATOM 66 N A GLU A 6 ? 5.49194 21.96081 27.18791 0.703 19.21817 N ? A ? 5 N 1
   ATOM 67 CA A GLU A 6 ? 5.99877 22.14188 25.82690 0.703 20.20777 C ? A ? 5 CA 1
   ATOM 68 C A GLU A 6 ? 4.89519 22.55893 24.87425 0.703 19.03999 C ? A ? 5 C 1
   ATOM 69 O A GLU A 6 ? 5.15636 23.29238 23.91566 0.703 17.82435 O ? A ? 5 O 1
   ATOM 70 CB A GLU A 6 ? 6.62855 20.85051 25.33508 0.703 23.32155 C ? A ? 5 CB 1
   ATOM 71 CG A GLU A 6 ? 7.99114 20.59687 26.00923 0.703 22.05539 C ? A ? 5 CG 1
   ATOM 72 CD A GLU A 6 ? 7.98527 19.86270 27.28560 0.703 22.33772 C ? A ? 5 CD 1
   ATOM 73 OE1 A GLU A 6 ? 6.94391 19.74795 27.97631 0.703 21.08588 O ? A ? 5 OE1 1
   ATOM 74 OE2 A GLU A 6 ? 9.15114 19.42986 27.59244 0.703 25.92688 O ? A ? 5 OE2 1
   ATOM 75 H A GLU A 6 ? 5.63514 21.18163 27.52254 0.703 23.06181 H ? A ? 5 H 1
   ATOM 76 HA A GLU A 6 ? 6.67367 22.83843 25.84225 0.703 24.24932 H ? A ? 5 HA 1
   ATOM 77 HB2 A GLU A 6 ? 6.04097 20.10734 25.54328 0.703 27.98586 H ? A ? 5 HB2 1
   ATOM 78 HB3 A GLU A 6 ? 6.76682 20.90567 24.37657 0.703 27.98586 H ? A ? 5 HB3 1
   ATOM 79 HG2 A GLU A 6 ? 8.53835 20.08477 25.39344 0.703 26.46646 H ? A ? 5 HG2 1
   ATOM 80 HG3 A GLU A 6 ? 8.40350 21.45759 26.18248 0.703 26.46646 H ? A ? 5 HG3 1
   ATOM 81 N B GLU A 6 ? 5.47953 21.95614 27.16767 0.297 19.30299 N ? A ? 5 N 1
   ATOM 82 CA B GLU A 6 ? 5.99821 22.15772 25.81866 0.297 20.14791 C ? A ? 5 CA 1
   ATOM 83 C B GLU A 6 ? 4.89696 22.52957 24.83941 0.297 19.22465 C ? A ? 5 C 1
   ATOM 84 O B GLU A 6 ? 5.15893 23.22518 23.85354 0.297 18.04383 O ? A ? 5 O 1
   ATOM 85 CB B GLU A 6 ? 6.70670 20.89307 25.34767 0.297 23.20336 C ? A ? 5 CB 1
   ATOM 86 CG B GLU A 6 ? 8.08040 20.68767 26.00950 0.297 21.98121 C ? A ? 5 CG 1
   ATOM 87 CD B GLU A 6 ? 8.04595 19.88556 27.26570 0.297 22.39842 C ? A ? 5 CD 1
   ATOM 88 OE1 B GLU A 6 ? 6.94976 19.60221 27.77535 0.297 20.07512 O ? A ? 5 OE1 1
   ATOM 89 OE2 B GLU A 6 ? 9.15235 19.52162 27.73734 0.297 26.33068 O ? A ? 5 OE2 1
   ATOM 90 H B GLU A 6 ? 5.60424 21.16696 27.48585 0.297 23.16359 H ? A ? 5 H 1
   ATOM 91 HA B GLU A 6 ? 6.63985 22.88495 25.83725 0.297 24.17749 H ? A ? 5 HA 1
   ATOM 92 HB2 B GLU A 6 ? 6.15411 20.12512 25.56166 0.297 27.84403 H ? A ? 5 HB2 1
   ATOM 93 HB3 B GLU A 6 ? 6.84217 20.94742 24.38872 0.297 27.84403 H ? A ? 5 HB3 1
   ATOM 94 HG2 B GLU A 6 ? 8.65989 20.22622 25.38328 0.297 26.37746 H ? A ? 5 HG2 1
   ATOM 95 HG3 B GLU A 6 ? 8.45228 21.55672 26.22714 0.297 26.37746 H ? A ? 5 HG3 1
   ATOM 96 N . ASP A 7 ? 3.68634 22.04867 25.06008 1.000 19.37413 N ? A ? 6 N 1
   ATOM 97 CA . ASP A 7 ? 2.57109 22.40325 24.21719 1.000 16.77909 C ? A ? 6 CA 1
   ATOM 98 C . ASP A 7 ? 2.15446 23.85304 24.40113 1.000 18.46434 C ? A ? 6 C 1
   ATOM 99 O . ASP A 7 ? 1.80226 24.53942 23.43293 1.000 17.01071 O ? A ? 6 O 1
   ATOM 100 CB . ASP A 7 ? 1.40506 21.46851 24.58199 1.000 21.91715 C ? A ? 6 CB 1
   ATOM 101 CG . ASP A 7 ? 1.70263 20.03471 24.24877 1.000 20.34518 C ? A ? 6 CG 1
   ATOM 102 OD1 . ASP A 7 ? 2.24626 19.71979 23.18549 1.000 23.09215 O ? A ? 6 OD1 1
   ATOM 103 OD2 . ASP A 7 ? 1.49495 19.19392 25.17746 1.000 23.87221 O ? A ? 6 OD2 1
   ATOM 104 HA . ASP A 7 ? 2.81504 22.29543 23.28458 1.000 20.13491 H ? A ? 6 HA 1
   ATOM 105 HB2 . ASP A 7 ? 1.23515 21.52851 25.53511 1.000 26.30058 H ? A ? 6 HB2 1
   ATOM 106 HB3 . ASP A 7 ? 0.61527 21.73648 24.08669 1.000 26.30058 H ? A ? 6 HB3 1
   ATOM 107 H A ASP A 7 ? 3.48692 21.48584 25.67900 0.703 23.24896 H ? A ? 6 H 1
   ATOM 108 H B ASP A 7 ? 3.48464 21.50948 25.69898 0.297 23.24896 H ? A ? 6 H 1
   ATOM 109 N . ALA A 8 ? 2.20178 24.36638 25.62265 1.000 17.71350 N ? A ? 7 N 1
   ATOM 110 CA . ALA A 8 ? 1.97257 25.79252 25.85522 1.000 16.98495 C ? A ? 7 CA 1
   ATOM 111 C . ALA A 8 ? 3.03456 26.64931 25.17981 1.000 17.10889 C ? A ? 7 C 1
   ATOM 112 O . ALA A 8 ? 2.70859 27.66256 24.55237 1.000 16.11271 O ? A ? 7 O 1
   ATOM 113 CB . ALA A 8 ? 1.97067 26.06581 27.36380 1.000 19.39284 C ? A ? 7 CB 1
   ATOM 114 H . ALA A 8 ? 2.36415 23.91519 26.33656 1.000 21.25620 H ? A ? 7 H 1
   ATOM 115 HA . ALA A 8 ? 1.10963 26.03408 25.48391 1.000 20.38193 H ? A ? 7 HA 1
   ATOM 116 HB1 . ALA A 8 ? 1.87128 27.01927 27.51189 1.000 23.27141 H ? A ? 7 HB1 1
   ATOM 117 HB2 . ALA A 8 ? 1.23013 25.58899 27.77018 1.000 23.27141 H ? A ? 7 HB2 1
   ATOM 118 HB3 . ALA A 8 ? 2.80941 25.75805 27.74155 1.000 23.27141 H ? A ? 7 HB3 1
   ATOM 119 N . VAL A 9 ? 4.29393 26.23548 25.24190 1.000 16.48330 N ? A ? 8 N 1
   ATOM 120 CA . VAL A 9 ? 5.38726 26.93730 24.58766 1.000 17.72277 C ? A ? 8 CA 1
   ATOM 121 C . VAL A 9 ? 5.16441 26.94575 23.07824 1.000 17.76575 C ? A ? 8 C 1
   ATOM 122 O . VAL A 9 ? 5.28729 27.97555 22.41302 1.000 17.18962 O ? A ? 8 O 1
   ATOM 123 CB . VAL A 9 ? 6.74083 26.31937 24.94435 1.000 16.04284 C ? A ? 8 CB 1
   ATOM 124 CG1 . VAL A 9 ? 7.89948 26.97545 24.22578 1.000 19.57155 C ? A ? 8 CG1 1
   ATOM 125 CG2 . VAL A 9 ? 7.03051 26.36937 26.43798 1.000 18.32218 C ? A ? 8 CG2 1
   ATOM 126 H . VAL A 9 ? 4.54870 25.53291 25.66746 1.000 19.77996 H ? A ? 8 H 1
   ATOM 127 HA . VAL A 9 ? 5.39419 27.85227 24.90964 1.000 21.26732 H ? A ? 8 HA 1
   ATOM 128 HB . VAL A 9 ? 6.67162 25.39550 24.65701 1.000 19.25141 H ? A ? 8 HB 1
   ATOM 129 HG11 . VAL A 9 ? 8.72494 26.74170 24.67842 1.000 23.48586 H ? A ? 8 HG11 1
   ATOM 130 HG12 . VAL A 9 ? 7.92334 26.65804 23.30950 1.000 23.48586 H ? A ? 8 HG12 1
   ATOM 131 HG13 . VAL A 9 ? 7.77566 27.93742 24.23949 1.000 23.48586 H ? A ? 8 HG13 1
   ATOM 132 HG21 . VAL A 9 ? 7.89360 25.95987 26.60615 1.000 21.98662 H ? A ? 8 HG21 1
   ATOM 133 HG22 . VAL A 9 ? 7.04184 27.29535 26.72664 1.000 21.98662 H ? A ? 8 HG22 1
   ATOM 134 HG23 . VAL A 9 ? 6.33636 25.88399 26.91071 1.000 21.98662 H ? A ? 8 HG23 1
   ATOM 135 N A LYS A 10 ? 4.85984 25.78685 22.51482 0.290 16.59102 N ? A ? 9 N 1
   ATOM 136 CA A LYS A 10 ? 4.66332 25.75703 21.06848 0.290 16.46180 C ? A ? 9 CA 1
   ATOM 137 C A LYS A 10 ? 3.50924 26.67043 20.67362 0.290 17.23034 C ? A ? 9 C 1
   ATOM 138 O A LYS A 10 ? 3.58381 27.41965 19.68606 0.290 16.22296 O ? A ? 9 O 1
   ATOM 139 CB A LYS A 10 ? 4.36090 24.34008 20.64131 0.290 18.53240 C ? A ? 9 CB 1
   ATOM 140 CG A LYS A 10 ? 4.26017 24.25062 19.12654 0.290 18.18545 C ? A ? 9 CG 1
   ATOM 141 CD A LYS A 10 ? 4.19341 22.80769 18.68011 0.290 19.89546 C ? A ? 9 CD 1
   ATOM 142 CE A LYS A 10 ? 4.22591 22.66199 17.19708 0.290 22.43331 C ? A ? 9 CE 1
   ATOM 143 NZ A LYS A 10 ? 5.29270 23.53098 16.61875 0.290 23.78551 N ? A ? 9 NZ 1
   ATOM 144 H A LYS A 10 ? 4.76470 25.03662 22.92434 0.290 19.90923 H ? A ? 9 H 1
   ATOM 145 HA A LYS A 10 ? 5.46969 26.05706 20.62053 0.290 19.75415 H ? A ? 9 HA 1
   ATOM 146 HB2 A LYS A 10 ? 5.07258 23.75245 20.93981 0.290 22.23889 H ? A ? 9 HB2 1
   ATOM 147 HB3 A LYS A 10 ? 3.51561 24.05901 21.02523 0.290 22.23889 H ? A ? 9 HB3 1
   ATOM 148 HG2 A LYS A 10 ? 3.45608 24.70334 18.82758 0.290 21.82254 H ? A ? 9 HG2 1
   ATOM 149 HG3 A LYS A 10 ? 5.04135 24.66185 18.72462 0.290 21.82254 H ? A ? 9 HG3 1
   ATOM 150 HD2 A LYS A 10 ? 4.95326 22.32780 19.04513 0.290 23.87455 H ? A ? 9 HD2 1
   ATOM 151 HD3 A LYS A 10 ? 3.36706 22.41458 19.00184 0.290 23.87455 H ? A ? 9 HD3 1
   ATOM 152 HE2 A LYS A 10 ? 4.41589 21.73981 16.96388 0.290 26.91997 H ? A ? 9 HE2 1
   ATOM 153 HE3 A LYS A 10 ? 3.37128 22.92920 16.82413 0.290 26.91997 H ? A ? 9 HE3 1
   ATOM 154 HZ1 A LYS A 10 ? 5.55346 23.20937 15.83092 0.290 28.54261 H ? A ? 9 HZ1 1
   ATOM 155 HZ2 A LYS A 10 ? 4.98351 24.35778 16.50518 0.290 28.54261 H ? A ? 9 HZ2 1
   ATOM 156 HZ3 A LYS A 10 ? 5.99384 23.55747 17.16629 0.290 28.54261 H ? A ? 9 HZ3 1
   ATOM 157 N B LYS A 10 ? 4.84770 25.79564 22.51238 0.429 16.56397 N ? A ? 9 N 1
   ATOM 158 CA B LYS A 10 ? 4.65165 25.75637 21.05759 0.429 16.44449 C ? A ? 9 CA 1
   ATOM 159 C B LYS A 10 ? 3.49540 26.65860 20.66026 0.429 17.24672 C ? A ? 9 C 1
   ATOM 160 O B LYS A 10 ? 3.56357 27.41045 19.67443 0.429 16.18368 O ? A ? 9 O 1
   ATOM 161 CB B LYS A 10 ? 4.37613 24.31460 20.68813 0.429 18.50391 C ? A ? 9 CB 1
   ATOM 162 CG B LYS A 10 ? 5.62898 23.47443 20.73933 0.429 21.72117 C ? A ? 9 CG 1
   ATOM 163 CD B LYS A 10 ? 5.36892 21.96988 20.65038 0.429 28.47881 C ? A ? 9 CD 1
   ATOM 164 CE B LYS A 10 ? 6.68384 21.18935 20.92203 0.429 23.40800 C ? A ? 9 CE 1
   ATOM 165 NZ B LYS A 10 ? 6.48964 19.78130 21.00677 0.429 34.25417 N ? A ? 9 NZ 1
   ATOM 166 H B LYS A 10 ? 4.74213 25.04735 22.92289 0.429 19.87676 H ? A ? 9 H 1
   ATOM 167 HA B LYS A 10 ? 5.43665 26.06642 20.57952 0.429 19.73339 H ? A ? 9 HA 1
   ATOM 168 HB2 B LYS A 10 ? 3.73384 23.94201 21.31227 0.429 22.20469 H ? A ? 9 HB2 1
   ATOM 169 HB3 B LYS A 10 ? 4.02163 24.27814 19.78596 0.429 22.20469 H ? A ? 9 HB3 1
   ATOM 170 HG2 B LYS A 10 ? 6.19995 23.71948 19.99446 0.429 26.06541 H ? A ? 9 HG2 1
   ATOM 171 HG3 B LYS A 10 ? 6.08571 23.64561 21.57778 0.429 26.06541 H ? A ? 9 HG3 1
   ATOM 172 HD2 B LYS A 10 ? 4.71045 21.71162 21.31417 0.429 34.17458 H ? A ? 9 HD2 1
   ATOM 173 HD3 B LYS A 10 ? 5.05064 21.74458 19.76221 0.429 34.17458 H ? A ? 9 HD3 1
   ATOM 174 HE2 B LYS A 10 ? 7.30753 21.36157 20.19936 0.429 28.08960 H ? A ? 9 HE2 1
   ATOM 175 HE3 B LYS A 10 ? 7.06042 21.48980 21.76394 0.429 28.08960 H ? A ? 9 HE3 1
   ATOM 176 HZ1 B LYS A 10 ? 7.27440 19.37044 21.09309 0.429 41.10501 H ? A ? 9 HZ1 1
   ATOM 177 HZ2 B LYS A 10 ? 5.98224 19.58586 21.71136 0.429 41.10501 H ? A ? 9 HZ2 1
   ATOM 178 HZ3 B LYS A 10 ? 6.08774 19.48458 20.27020 0.429 41.10501 H ? A ? 9 HZ3 1
   ATOM 179 N C LYS A 10 ? 4.86393 25.78321 22.51168 0.281 16.61029 N ? A ? 9 N 1
   ATOM 180 CA C LYS A 10 ? 4.64949 25.72413 21.06772 0.281 16.47426 C ? A ? 9 CA 1
   ATOM 181 C C LYS A 10 ? 3.50029 26.63726 20.66242 0.281 17.21774 C ? A ? 9 C 1
   ATOM 182 O C LYS A 10 ? 3.57553 27.35328 19.65299 0.281 16.25386 O ? A ? 9 O 1
   ATOM 183 CB C LYS A 10 ? 4.33609 24.28886 20.68372 0.281 18.51563 C ? A ? 9 CB 1
   ATOM 184 CG C LYS A 10 ? 4.24274 24.04400 19.17783 0.281 18.61438 C ? A ? 9 CG 1
   ATOM 185 CD C LYS A 10 ? 4.17643 22.52323 18.93099 0.281 21.48033 C ? A ? 9 CD 1
   ATOM 186 CE C LYS A 10 ? 3.82210 22.15427 17.48728 0.281 18.15385 C ? A ? 9 CE 1
   ATOM 187 NZ C LYS A 10 ? 3.95196 20.68812 17.15374 0.281 16.70010 N ? A ? 9 NZ 1
   ATOM 188 H C LYS A 10 ? 4.78006 25.03433 22.92610 0.281 19.93235 H ? A ? 9 H 1
   ATOM 189 HA C LYS A 10 ? 5.44868 26.01165 20.59918 0.281 19.76911 H ? A ? 9 HA 1
   ATOM 190 HB2 C LYS A 10 ? 5.03715 23.71559 21.03126 0.281 22.21875 H ? A ? 9 HB2 1
   ATOM 191 HB3 C LYS A 10 ? 3.48278 24.04348 21.07430 0.281 22.21875 H ? A ? 9 HB3 1
   ATOM 192 HG2 C LYS A 10 ? 3.44068 24.45817 18.82278 0.281 22.33726 H ? A ? 9 HG2 1
   ATOM 193 HG3 C LYS A 10 ? 5.02638 24.40354 18.73337 0.281 22.33726 H ? A ? 9 HG3 1
   ATOM 194 HD2 C LYS A 10 ? 5.04210 22.13467 19.13235 0.281 25.77640 H ? A ? 9 HD2 1
   ATOM 195 HD3 C LYS A 10 ? 3.49840 22.14074 19.50967 0.281 25.77640 H ? A ? 9 HD3 1
   ATOM 196 HE2 C LYS A 10 ? 2.90088 22.40900 17.32183 0.281 21.78462 H ? A ? 9 HE2 1
   ATOM 197 HE3 C LYS A 10 ? 4.41298 22.64084 16.89146 0.281 21.78462 H ? A ? 9 HE3 1
   ATOM 198 HZ1 C LYS A 10 ? 3.75896 20.55293 16.29550 0.281 20.04012 H ? A ? 9 HZ1 1
   ATOM 199 HZ2 C LYS A 10 ? 4.78393 20.41304 17.30950 0.281 20.04012 H ? A ? 9 HZ2 1
   ATOM 200 HZ3 C LYS A 10 ? 3.39158 20.21125 17.65440 0.281 20.04012 H ? A ? 9 HZ3 1
   ATOM 201 N . TYR A 11 ? 2.43164 26.64478 21.46130 1.000 16.29992 N ? A ? 10 N 1
   ATOM 202 CA . TYR A 11 ? 1.26316 27.48940 21.17173 1.000 15.55539 C ? A ? 10 CA 1
   ATOM 203 C . TYR A 11 ? 1.65250 28.95039 21.20029 1.000 15.97919 C ? A ? 10 C 1
   ATOM 204 O . TYR A 11 ? 1.32034 29.72232 20.23896 1.000 15.75528 O ? A ? 10 O 1
   ATOM 205 CB . TYR A 11 ? 0.14414 27.16429 22.14246 1.000 16.19188 C ? A ? 10 CB 1
   ATOM 206 CG . TYR A 11 ? -1.07861 28.05034 21.92056 1.000 15.16367 C ? A ? 10 CG 1
   ATOM 207 CD1 . TYR A 11 ? -1.08087 29.37501 22.38211 1.000 14.43230 C ? A ? 10 CD1 1
   ATOM 208 CD2 . TYR A 11 ? -2.20891 27.59555 21.26969 1.000 14.30951 C ? A ? 10 CD2 1
   ATOM 209 CE1 . TYR A 11 ? -2.20224 30.17155 22.18485 1.000 14.55895 C ? A ? 10 CE1 1
   ATOM 210 CE2 . TYR A 11 ? -3.31206 28.38736 21.12010 1.000 15.33732 C ? A ? 10 CE2 1
   ATOM 211 CZ . TYR A 11 ? -3.30539 29.67829 21.55465 1.000 15.43081 C ? A ? 10 CZ 1
   ATOM 212 OH . TYR A 11 ? -4.39410 30.49067 21.41541 1.000 16.43316 O ? A ? 10 OH 1
   ATOM 213 HA . TYR A 11 ? 0.92353 27.30077 20.28293 1.000 18.66647 H ? A ? 10 HA 1
   ATOM 214 HB2 . TYR A 11 ? -0.12443 26.24009 22.02151 1.000 19.43026 H ? A ? 10 HB2 1
   ATOM 215 HB3 . TYR A 11 ? 0.45876 27.30236 23.04957 1.000 19.43026 H ? A ? 10 HB3 1
   ATOM 216 HD1 . TYR A 11 ? -0.33490 29.71872 22.81834 1.000 17.31876 H ? A ? 10 HD1 1
   ATOM 217 HD2 . TYR A 11 ? -2.21915 26.73152 20.92583 1.000 17.17141 H ? A ? 10 HD2 1
   ATOM 218 HE1 . TYR A 11 ? -2.19996 31.05133 22.48633 1.000 17.47073 H ? A ? 10 HE1 1
   ATOM 219 HE2 . TYR A 11 ? -4.07560 28.04138 20.71736 1.000 18.40479 H ? A ? 10 HE2 1
   ATOM 220 HH . TYR A 11 ? -4.77705 30.33505 20.68415 1.000 19.71979 H ? A ? 10 HH 1
   ATOM 221 H A TYR A 11 ? 2.34892 26.15395 22.16261 0.290 19.55990 H ? A ? 10 H 1
   ATOM 222 H B TYR A 11 ? 2.35686 26.16390 22.17036 0.429 19.55990 H ? A ? 10 H 1
   ATOM 223 H C TYR A 11 ? 2.35402 26.17300 22.17614 0.281 19.55990 H ? A ? 10 H 1
   ATOM 224 N . ARG A 12 ? 2.28513 29.41591 22.26263 1.000 16.10183 N ? A ? 11 N 1
   ATOM 225 CA . ARG A 12 ? 2.52477 30.84249 22.34363 1.000 15.56024 C ? A ? 11 CA 1
   ATOM 226 C . ARG A 12 ? 3.50216 31.28521 21.29835 1.000 15.70551 C ? A ? 11 C 1
   ATOM 227 O . ARG A 12 ? 3.34823 32.41053 20.76710 1.000 15.98499 O ? A ? 11 O 1
   ATOM 228 CB . ARG A 12 ? 2.99251 31.27618 23.74640 1.000 15.52494 C ? A ? 11 CB 1
   ATOM 229 CG . ARG A 12 ? 4.33861 30.83354 24.28910 1.000 17.32327 C ? A ? 11 CG 1
   ATOM 230 CD . ARG A 12 ? 4.26356 30.65859 25.81685 1.000 16.22439 C ? A ? 11 CD 1
   ATOM 231 NE . ARG A 12 ? 5.59105 30.32077 26.30614 1.000 16.92305 N ? A ? 11 NE 1
   ATOM 232 CZ . ARG A 12 ? 5.80454 29.78273 27.50087 1.000 18.82781 C ? A ? 11 CZ 1
   ATOM 233 NH1 . ARG A 12 ? 4.80919 29.41475 28.25704 1.000 17.91913 N ? A ? 11 NH1 1
   ATOM 234 NH2 . ARG A 12 ? 7.06616 29.60685 27.89376 1.000 18.14185 N ? A ? 11 NH2 1
   ATOM 235 H . ARG A 12 ? 2.57401 28.94679 22.92299 1.000 19.32219 H ? A ? 11 H 1
   ATOM 236 HA . ARG A 12 ? 1.67758 31.28891 22.18915 1.000 18.67229 H ? A ? 11 HA 1
   ATOM 237 HB2 . ARG A 12 ? 3.00994 32.24600 23.75264 1.000 18.62992 H ? A ? 11 HB2 1
   ATOM 238 HB3 . ARG A 12 ? 2.33209 30.95216 24.37866 1.000 18.62992 H ? A ? 11 HB3 1
   ATOM 239 HG2 . ARG A 12 ? 4.58774 29.98467 23.89129 1.000 20.78792 H ? A ? 11 HG2 1
   ATOM 240 HG3 . ARG A 12 ? 5.00900 31.50455 24.08604 1.000 20.78792 H ? A ? 11 HG3 1
   ATOM 241 HD2 . ARG A 12 ? 3.97226 31.48515 26.23259 1.000 19.46926 H ? A ? 11 HD2 1
   ATOM 242 HD3 . ARG A 12 ? 3.65030 29.94092 26.03993 1.000 19.46926 H ? A ? 11 HD3 1
   ATOM 243 HE . ARG A 12 ? 6.26781 30.47652 25.79885 1.000 20.30766 H ? A ? 11 HE 1
   ATOM 244 HH11 . ARG A 12 ? 4.00034 29.51918 27.98416 1.000 21.50296 H ? A ? 11 HH11 1
   ATOM 245 HH12 . ARG A 12 ? 4.96111 29.06745 29.02899 1.000 21.50296 H ? A ? 11 HH12 1
   ATOM 246 HH21 . ARG A 12 ? 7.71363 29.83982 27.37790 1.000 21.77022 H ? A ? 11 HH21 1
   ATOM 247 HH22 . ARG A 12 ? 7.23262 29.26042 28.66310 1.000 21.77022 H ? A ? 11 HH22 1
   ATOM 248 N . GLN A 13 ? 4.54882 30.51709 21.01825 1.000 15.38400 N ? A ? 12 N 1
   ATOM 249 CA . GLN A 13 ? 5.47834 30.86561 19.96600 1.000 15.39893 C ? A ? 12 CA 1
   ATOM 250 C . GLN A 13 ? 4.75374 30.96574 18.60012 1.000 15.54288 C ? A ? 12 C 1
   ATOM 251 O . GLN A 13 ? 5.04998 31.86569 17.81156 1.000 16.03173 O ? A ? 12 O 1
   ATOM 252 CB . GLN A 13 ? 6.61170 29.84215 19.92318 1.000 15.44668 C ? A ? 12 CB 1
   ATOM 253 CG . GLN A 13 ? 7.51950 29.93870 21.08259 1.000 15.95335 C ? A ? 12 CG 1
   ATOM 254 CD . GLN A 13 ? 8.64080 28.91974 21.08778 1.000 20.29977 C ? A ? 12 CD 1
   ATOM 255 OE1 . GLN A 13 ? 8.61750 27.96061 20.33849 1.000 20.55688 O ? A ? 12 OE1 1
   ATOM 256 NE2 . GLN A 13 ? 9.61626 29.08643 22.01481 1.000 19.54298 N ? A ? 12 NE2 1
   ATOM 257 H . GLN A 13 ? 4.74079 29.78544 21.42744 1.000 18.46080 H ? A ? 12 H 1
   ATOM 258 HA . GLN A 13 ? 5.87207 31.73234 20.15212 1.000 18.47871 H ? A ? 12 HA 1
   ATOM 259 HB2 . GLN A 13 ? 6.23031 28.95031 19.91499 1.000 18.53602 H ? A ? 12 HB2 1
   ATOM 260 HB3 . GLN A 13 ? 7.13576 29.98625 19.11976 1.000 18.53602 H ? A ? 12 HB3 1
   ATOM 261 HG2 . GLN A 13 ? 7.92482 30.81995 21.08583 1.000 19.14402 H ? A ? 12 HG2 1
   ATOM 262 HG3 . GLN A 13 ? 7.00200 29.80856 21.89262 1.000 19.14402 H ? A ? 12 HG3 1
   ATOM 263 HE21 . GLN A 13 ? 9.57919 29.74722 22.56397 1.000 23.45158 H ? A ? 12 HE21 1
   ATOM 264 HE22 . GLN A 13 ? 10.27200 28.53136 22.05360 1.000 23.45158 H ? A ? 12 HE22 1
   ATOM 265 N A SER A 14 ? 3.81621 30.07472 18.33021 0.523 14.51253 N ? A ? 13 N 1
   ATOM 266 CA A SER A 14 ? 3.05983 30.18209 17.08242 0.523 14.50098 C ? A ? 13 CA 1
   ATOM 267 C A SER A 14 ? 2.12442 31.36951 17.07942 0.523 14.76634 C ? A ? 13 C 1
   ATOM 268 O A SER A 14 ? 1.90897 31.98996 16.01239 0.523 14.29443 O ? A ? 13 O 1
   ATOM 269 CB A SER A 14 ? 2.31424 28.89084 16.80835 0.523 15.90350 C ? A ? 13 CB 1
   ATOM 270 OG A SER A 14 ? 3.15257 27.92092 16.18309 0.523 18.51173 O ? A ? 13 OG 1
   ATOM 271 H A SER A 14 ? 3.59870 29.41308 18.83472 0.523 17.41504 H ? A ? 13 H 1
   ATOM 272 HA A SER A 14 ? 3.68907 30.31909 16.35703 0.523 17.40117 H ? A ? 13 HA 1
   ATOM 273 HB2 A SER A 14 ? 1.99357 28.53057 17.64995 0.523 19.08419 H ? A ? 13 HB2 1
   ATOM 274 HB3 A SER A 14 ? 1.56529 29.08095 16.22199 0.523 19.08419 H ? A ? 13 HB3 1
   ATOM 275 HG A SER A 14 ? 2.71621 27.21952 16.03067 0.523 22.21408 H ? A ? 13 HG 1
   ATOM 276 N B SER A 14 ? 3.85694 30.03247 18.31850 0.477 14.51906 N ? A ? 13 N 1
   ATOM 277 CA B SER A 14 ? 3.05980 30.14625 17.10131 0.477 14.52436 C ? A ? 13 CA 1
   ATOM 278 C B SER A 14 ? 2.25591 31.42727 17.11229 0.477 14.59609 C ? A ? 13 C 1
   ATOM 279 O B SER A 14 ? 2.24935 32.17013 16.09194 0.477 14.65365 O ? A ? 13 O 1
   ATOM 280 CB B SER A 14 ? 2.15983 28.94164 16.94207 0.477 16.37591 C ? A ? 13 CB 1
   ATOM 281 OG B SER A 14 ? 2.89027 27.69805 16.96603 0.477 15.77787 O ? A ? 13 OG 1
   ATOM 282 H B SER A 14 ? 3.69209 29.33981 18.80084 0.477 17.42287 H ? A ? 13 H 1
   ATOM 283 HA B SER A 14 ? 3.65456 30.16439 16.33526 0.477 17.42923 H ? A ? 13 HA 1
   ATOM 284 HB2 B SER A 14 ? 1.51830 28.93708 17.66961 0.477 19.65109 H ? A ? 13 HB2 1
   ATOM 285 HB3 B SER A 14 ? 1.69731 29.01184 16.09234 0.477 19.65109 H ? A ? 13 HB3 1
   ATOM 286 HG B SER A 14 ? 3.55876 27.76717 17.46996 0.477 18.93345 H ? A ? 13 HG 1
   ATOM 287 N . ALA A 15 ? 1.49115 31.68482 18.19083 1.000 16.21308 N ? A ? 14 N 1
   ATOM 288 CA . ALA A 15 ? 0.67406 32.87806 18.23682 1.000 15.03078 C ? A ? 14 CA 1
   ATOM 289 C . ALA A 15 ? 1.51119 34.12297 18.00559 1.000 16.10211 C ? A ? 14 C 1
   ATOM 290 O . ALA A 15 ? 1.07802 35.06212 17.31567 1.000 16.13581 O ? A ? 14 O 1
   ATOM 291 CB . ALA A 15 ? -0.08686 32.98390 19.55838 1.000 16.95753 C ? A ? 14 CB 1
   ATOM 292 HA . ALA A 15 ? 0.01185 32.81308 17.53102 1.000 18.03694 H ? A ? 14 HA 1
   ATOM 293 HB1 . ALA A 15 ? -0.62041 33.79395 19.55159 1.000 20.34903 H ? A ? 14 HB1 1
   ATOM 294 HB2 . ALA A 15 ? -0.66277 32.20927 19.65411 1.000 20.34903 H ? A ? 14 HB2 1
   ATOM 295 HB3 . ALA A 15 ? 0.55102 33.01408 20.28852 1.000 20.34903 H ? A ? 14 HB3 1
   ATOM 296 H A ALA A 15 ? 1.51669 31.23255 18.92185 0.523 19.45569 H ? A ? 14 H 1
   ATOM 297 H B ALA A 15 ? 1.43817 31.18539 18.88894 0.477 19.45569 H ? A ? 14 H 1
   ATOM 298 N . LEU A 16 ? 2.67718 34.22526 18.66251 1.000 16.23878 N ? A ? 15 N 1
   ATOM 299 CA . LEU A 16 ? 3.51579 35.38859 18.56319 1.000 15.89925 C ? A ? 15 CA 1
   ATOM 300 C . LEU A 16 ? 4.08640 35.50856 17.14182 1.000 15.85175 C ? A ? 15 C 1
   ATOM 301 O . LEU A 16 ? 4.23669 36.61381 16.62815 1.000 16.38173 O ? A ? 15 O 1
   ATOM 302 CB . LEU A 16 ? 4.57299 35.26718 19.66907 1.000 15.96048 C ? A ? 15 CB 1
   ATOM 303 CG . LEU A 16 ? 3.94383 35.51442 21.05592 1.000 16.64068 C ? A ? 15 CG 1
   ATOM 304 CD1 . LEU A 16 ? 4.96735 34.96204 22.10418 1.000 17.02234 C ? A ? 15 CD1 1
   ATOM 305 CD2 . LEU A 16 ? 3.69353 36.95498 21.36942 1.000 15.78526 C ? A ? 15 CD2 1
   ATOM 306 H . LEU A 16 ? 2.99709 33.61532 19.17752 1.000 19.48653 H ? A ? 15 H 1
   ATOM 307 HA . LEU A 16 ? 3.03867 36.21981 18.71259 1.000 19.07910 H ? A ? 15 HA 1
   ATOM 308 HB2 . LEU A 16 ? 4.95262 34.37465 19.65614 1.000 19.15257 H ? A ? 15 HB2 1
   ATOM 309 HB3 . LEU A 16 ? 5.26968 35.92618 19.52338 1.000 19.15257 H ? A ? 15 HB3 1
   ATOM 310 HG . LEU A 16 ? 3.07642 35.08115 21.08386 1.000 19.96881 H ? A ? 15 HG 1
   ATOM 311 HD11 . LEU A 16 ? 4.72333 35.28651 22.98512 1.000 20.42681 H ? A ? 15 HD11 1
   ATOM 312 HD12 . LEU A 16 ? 4.94174 33.99248 22.08998 1.000 20.42681 H ? A ? 15 HD12 1
   ATOM 313 HD13 . LEU A 16 ? 5.85630 35.27288 21.87170 1.000 20.42681 H ? A ? 15 HD13 1
   ATOM 314 HD21 . LEU A 16 ? 3.30022 37.02205 22.25356 1.000 18.94231 H ? A ? 15 HD21 1
   ATOM 315 HD22 . LEU A 16 ? 4.53633 37.43454 21.34505 1.000 18.94231 H ? A ? 15 HD22 1
   ATOM 316 HD23 . LEU A 16 ? 3.08543 37.32102 20.70825 1.000 18.94231 H ? A ? 15 HD23 1
   ATOM 317 N . THR A 17 ? 4.39653 34.36985 16.50543 1.000 17.03823 N ? A ? 16 N 1
   ATOM 318 CA . THR A 17 ? 4.83987 34.39813 15.10332 1.000 15.31534 C ? A ? 16 CA 1
   ATOM 319 C . THR A 17 ? 3.75169 34.98726 14.21185 1.000 15.46862 C ? A ? 16 C 1
   ATOM 320 O . THR A 17 ? 4.05252 35.82827 13.33510 1.000 17.60086 O ? A ? 16 O 1
   ATOM 321 CB . THR A 17 ? 5.14358 32.99131 14.65368 1.000 15.26605 C ? A ? 16 CB 1
   ATOM 322 OG1 . THR A 17 ? 6.33818 32.56628 15.32979 1.000 18.97576 O ? A ? 16 OG1 1
   ATOM 323 CG2 . THR A 17 ? 5.41825 32.90888 13.15980 1.000 17.11959 C ? A ? 16 CG2 1
   ATOM 324 H . THR A 17 ? 4.35986 33.58460 16.85418 1.000 20.44587 H ? A ? 16 H 1
   ATOM 325 HA . THR A 17 ? 5.64079 34.94006 15.02756 1.000 18.37840 H ? A ? 16 HA 1
   ATOM 326 HB . THR A 17 ? 4.37977 32.42660 14.85013 1.000 18.31926 H ? A ? 16 HB 1
   ATOM 327 HG1 . THR A 17 ? 6.31509 32.80885 16.13367 1.000 22.77091 H ? A ? 16 HG1 1
   ATOM 328 HG21 . THR A 17 ? 5.88448 32.08374 12.95323 1.000 20.54351 H ? A ? 16 HG21 1
   ATOM 329 HG22 . THR A 17 ? 4.58291 32.93027 12.66721 1.000 20.54351 H ? A ? 16 HG22 1
   ATOM 330 HG23 . THR A 17 ? 5.96709 33.65871 12.88152 1.000 20.54351 H ? A ? 16 HG23 1
   ATOM 331 N A LEU A 18 ? 2.50217 34.58407 14.41475 0.523 14.81087 N ? A ? 17 N 1
   ATOM 332 CA A LEU A 18 ? 1.41979 35.11201 13.58670 0.523 16.15880 C ? A ? 17 CA 1
   ATOM 333 C A LEU A 18 ? 1.15550 36.57212 13.87420 0.523 20.38629 C ? A ? 17 C 1
   ATOM 334 O A LEU A 18 ? 0.79620 37.33646 12.99784 0.523 16.41304 O ? A ? 17 O 1
   ATOM 335 CB A LEU A 18 ? 0.14282 34.33108 13.82186 0.523 17.63553 C ? A ? 17 CB 1
   ATOM 336 CG A LEU A 18 ? 0.13870 32.89733 13.38642 0.523 20.72825 C ? A ? 17 CG 1
   ATOM 337 CD1 A LEU A 18 ? -1.10135 32.14182 13.87365 0.523 18.28183 C ? A ? 17 CD1 1
   ATOM 338 CD2 A LEU A 18 ? 0.09594 32.84272 11.86576 0.523 16.34290 C ? A ? 17 CD2 1
   ATOM 339 H A LEU A 18 ? 2.25635 34.01703 15.01277 0.523 17.77304 H ? A ? 17 H 1
   ATOM 340 HA A LEU A 18 ? 1.68751 35.01431 12.65951 0.523 19.39056 H ? A ? 17 HA 1
   ATOM 341 HB2 A LEU A 18 ? -0.04195 34.33910 14.77406 0.523 21.16263 H ? A ? 17 HB2 1
   ATOM 342 HB3 A LEU A 18 ? -0.57285 34.77577 13.34128 0.523 21.16263 H ? A ? 17 HB3 1
   ATOM 343 HG A LEU A 18 ? 0.93344 32.48095 13.75507 0.523 24.87390 H ? A ? 17 HG 1
   ATOM 344 HD11 A LEU A 18 ? -1.04119 31.21740 13.58604 0.523 21.93819 H ? A ? 17 HD11 1
   ATOM 345 HD12 A LEU A 18 ? -1.13741 32.18529 14.84200 0.523 21.93819 H ? A ? 17 HD12 1
   ATOM 346 HD13 A LEU A 18 ? -1.89248 32.55546 13.49428 0.523 21.93819 H ? A ? 17 HD13 1
   ATOM 347 HD21 A LEU A 18 ? 0.03281 31.91649 11.58466 0.523 19.61148 H ? A ? 17 HD21 1
   ATOM 348 HD22 A LEU A 18 ? -0.67837 33.33663 11.55366 0.523 19.61148 H ? A ? 17 HD22 1
   ATOM 349 HD23 A LEU A 18 ? 0.90677 33.24106 11.51252 0.523 19.61148 H ? A ? 17 HD23 1
   ATOM 350 N C LEU A 18 ? 2.50741 34.56102 14.39517 0.477 14.85183 N ? A ? 17 N 1
   ATOM 351 CA C LEU A 18 ? 1.42743 35.11485 13.58173 0.477 16.17282 C ? A ? 17 CA 1
   ATOM 352 C C LEU A 18 ? 1.26324 36.59193 13.85863 0.477 20.37763 C ? A ? 17 C 1
   ATOM 353 O C LEU A 18 ? 1.19017 37.40865 12.95292 0.477 16.30316 O ? A ? 17 O 1
   ATOM 354 CB C LEU A 18 ? 0.12705 34.37363 13.82210 0.477 17.66125 C ? A ? 17 CB 1
   ATOM 355 CG C LEU A 18 ? -0.10722 33.02577 13.15163 0.477 21.65222 C ? A ? 17 CG 1
   ATOM 356 CD1 C LEU A 18 ? -1.63322 32.80887 12.85152 0.477 18.92187 C ? A ? 17 CD1 1
   ATOM 357 CD2 C LEU A 18 ? 0.74192 32.80261 11.90604 0.477 16.62477 C ? A ? 17 CD2 1
   ATOM 358 H C LEU A 18 ? 2.26534 33.96743 14.96845 0.477 17.82220 H ? A ? 17 H 1
   ATOM 359 HA C LEU A 18 ? 1.65239 34.99477 12.64585 0.477 19.40738 H ? A ? 17 HA 1
   ATOM 360 HB2 C LEU A 18 ? 0.05681 34.21755 14.77688 0.477 21.19350 H ? A ? 17 HB2 1
   ATOM 361 HB3 C LEU A 18 ? -0.59313 34.95239 13.52668 0.477 21.19350 H ? A ? 17 HB3 1
   ATOM 362 HG C LEU A 18 ? 0.18197 32.34633 13.78063 0.477 25.98266 H ? A ? 17 HG 1
   ATOM 363 HD11 C LEU A 18 ? -1.75199 31.94445 12.42777 0.477 22.70624 H ? A ? 17 HD11 1
   ATOM 364 HD12 C LEU A 18 ? -2.12657 32.83868 13.68616 0.477 22.70624 H ? A ? 17 HD12 1
   ATOM 365 HD13 C LEU A 18 ? -1.94180 33.51263 12.25957 0.477 22.70624 H ? A ? 17 HD13 1
   ATOM 366 HD21 C LEU A 18 ? 0.46431 31.97749 11.47825 0.477 19.94973 H ? A ? 17 HD21 1
   ATOM 367 HD22 C LEU A 18 ? 0.61485 33.54875 11.29937 0.477 19.94973 H ? A ? 17 HD22 1
   ATOM 368 HD23 C LEU A 18 ? 1.67449 32.74287 12.16611 0.477 19.94973 H ? A ? 17 HD23 1
   ATOM 369 N . MET A 19 ? 1.21587 36.99202 15.11394 1.000 18.45065 N ? A ? 18 N 1
   ATOM 370 CA . MET A 19 ? 1.14347 38.40302 15.43625 1.000 18.00483 C ? A ? 18 CA 1
   ATOM 371 C . MET A 19 ? 2.20612 39.20203 14.79321 1.000 19.03808 C ? A ? 18 C 1
   ATOM 372 O . MET A 19 ? 1.94384 40.30215 14.25293 1.000 20.85609 O ? A ? 18 O 1
   ATOM 373 HA . MET A 19 ? 0.25705 38.68527 15.16149 1.000 21.60580 H ? A ? 18 HA 1
   ATOM 374 CB A MET A 19 ? 1.26178 38.49610 16.98796 0.375 19.40099 C ? A ? 18 CB 1
   ATOM 375 CG A MET A 19 ? 0.31074 39.40909 17.76690 0.375 12.76590 C ? A ? 18 CG 1
   ATOM 376 SD A MET A 19 ? 0.61019 39.29981 19.53960 0.375 15.67401 S ? A ? 18 SD 1
   ATOM 377 CE A MET A 19 ? 2.22270 39.93381 19.75261 0.375 18.80396 C ? A ? 18 CE 1
   ATOM 378 H A MET A 19 ? 1.29965 36.47933 15.79931 0.523 22.14078 H ? A ? 18 H 1
   ATOM 379 HB2 A MET A 19 ? 1.12934 37.60265 17.34166 0.375 23.28119 H ? A ? 18 HB2 1
   ATOM 380 HB3 A MET A 19 ? 2.15901 38.80370 17.19110 0.375 23.28119 H ? A ? 18 HB3 1
   ATOM 381 HG2 A MET A 19 ? 0.44698 40.32838 17.48899 0.375 15.31908 H ? A ? 18 HG2 1
   ATOM 382 HG3 A MET A 19 ? -0.60569 39.14249 17.59371 0.375 15.31908 H ? A ? 18 HG3 1
   ATOM 383 HE1 A MET A 19 ? 2.43335 39.94951 20.69933 0.375 22.56475 H ? A ? 18 HE1 1
   ATOM 384 HE2 A MET A 19 ? 2.85103 39.36293 19.28335 0.375 22.56475 H ? A ? 18 HE2 1
   ATOM 385 HE3 A MET A 19 ? 2.25883 40.83306 19.39074 0.375 22.56475 H ? A ? 18 HE3 1
   ATOM 386 CB B MET A 19 ? 1.43633 38.61258 16.94118 0.625 19.71670 C ? A ? 18 CB 1
   ATOM 387 CG B MET A 19 ? 0.34611 38.22898 17.63055 0.625 14.68925 C ? A ? 18 CG 1
   ATOM 388 SD B MET A 19 ? 0.59580 38.11638 19.50252 0.625 16.95532 S ? A ? 18 SD 1
   ATOM 389 CE B MET A 19 ? 1.29042 39.79261 19.76737 0.625 16.17196 C ? A ? 18 CE 1
   ATOM 390 HB2 B MET A 19 ? 2.19442 38.07181 17.21279 0.625 23.66004 H ? A ? 18 HB2 1
   ATOM 391 HB3 B MET A 19 ? 1.61582 39.54896 17.11970 0.625 23.66004 H ? A ? 18 HB3 1
   ATOM 392 HG2 B MET A 19 ? -0.36315 38.87059 17.46872 0.625 17.62710 H ? A ? 18 HG2 1
   ATOM 393 HG3 B MET A 19 ? 0.07667 37.35090 17.31864 0.625 17.62710 H ? A ? 18 HG3 1
   ATOM 394 HE1 B MET A 19 ? 1.36420 39.95690 20.72050 0.625 19.40635 H ? A ? 18 HE1 1
   ATOM 395 HE2 B MET A 19 ? 2.16698 39.84003 19.35471 0.625 19.40635 H ? A ? 18 HE2 1
   ATOM 396 HE3 B MET A 19 ? 0.69896 40.44694 19.36373 0.625 19.40635 H ? A ? 18 HE3 1
   ATOM 397 H C MET A 19 ? 1.22418 36.46953 15.79698 0.477 22.14078 H ? A ? 18 H 1
   ATOM 398 N . ALA A 20 ? 3.44734 38.75148 14.80452 1.000 18.31520 N ? A ? 19 N 1
   ATOM 399 CA . ALA A 20 ? 4.52485 39.47112 14.22334 1.000 18.67895 C ? A ? 19 CA 1
   ATOM 400 C . ALA A 20 ? 4.25173 39.66683 12.75184 1.000 19.37825 C ? A ? 19 C 1
   ATOM 401 O . ALA A 20 ? 4.64435 40.66820 12.17278 1.000 20.86454 O ? A ? 19 O 1
   ATOM 402 CB . ALA A 20 ? 5.83926 38.73857 14.46143 1.000 21.92164 C ? A ? 19 CB 1
   ATOM 403 H . ALA A 20 ? 3.68671 38.00480 15.15775 1.000 21.97823 H ? A ? 19 H 1
   ATOM 404 HA . ALA A 20 ? 4.61779 40.34108 14.64218 1.000 22.41474 H ? A ? 19 HA 1
   ATOM 405 HB1 . ALA A 20 ? 6.56832 39.27823 14.11772 1.000 26.30596 H ? A ? 19 HB1 1
   ATOM 406 HB2 . ALA A 20 ? 5.95351 38.59645 15.41414 1.000 26.30596 H ? A ? 19 HB2 1
   ATOM 407 HB3 . ALA A 20 ? 5.81334 37.88547 14.00050 1.000 26.30596 H ? A ? 19 HB3 1
   ATOM 408 N . SER A 21 ? 3.69586 38.63942 12.10074 1.000 17.95971 N ? A ? 20 N 1
   ATOM 409 CA . SER A 21 ? 3.45126 38.76843 10.65410 1.000 17.06878 C ? A ? 20 CA 1
   ATOM 410 C . SER A 21 ? 2.36568 39.77733 10.38699 1.000 16.32598 C ? A ? 20 C 1
   ATOM 411 O . SER A 21 ? 2.42671 40.55570 9.39034 1.000 17.01397 O ? A ? 20 O 1
   ATOM 412 CB . SER A 21 ? 3.12388 37.40758 10.07591 1.000 16.55893 C ? A ? 20 CB 1
   ATOM 413 OG . SER A 21 ? 2.80474 37.54075 8.65188 1.000 17.51079 O ? A ? 20 OG 1
   ATOM 414 H . SER A 21 ? 3.46100 37.89096 12.45323 1.000 21.55165 H ? A ? 20 H 1
   ATOM 415 HA . SER A 21 ? 4.25157 39.08593 10.20733 1.000 20.48253 H ? A ? 20 HA 1
   ATOM 416 HB2 . SER A 21 ? 3.89073 36.82261 10.17913 1.000 19.87072 H ? A ? 20 HB2 1
   ATOM 417 HB3 . SER A 21 ? 2.35858 37.03680 10.54254 1.000 19.87072 H ? A ? 20 HB3 1
   ATOM 418 HG . SER A 21 ? 2.90305 38.33878 8.40883 1.000 21.01295 H ? A ? 20 HG 1
   ATOM 419 N . HIS A 22 ? 1.27611 39.70778 11.11203 1.000 14.97729 N ? A ? 21 N 1
   ATOM 420 CA . HIS A 22 ? 0.13969 40.61073 10.94393 1.000 15.24066 C ? A ? 21 CA 1
   ATOM 421 C . HIS A 22 ? 0.50265 42.03610 11.31285 1.000 16.71342 C ? A ? 21 C 1
   ATOM 422 O . HIS A 22 ? -0.03916 42.98899 10.73356 1.000 17.45886 O ? A ? 21 O 1
   ATOM 423 CB . HIS A 22 ? -1.15900 40.10381 11.54932 1.000 17.43319 C ? A ? 21 CB 1
   ATOM 424 CG . HIS A 22 ? -1.70945 38.97861 10.75539 1.000 15.18785 C ? A ? 21 CG 1
   ATOM 425 ND1 . HIS A 22 ? -2.50467 39.21815 9.66897 1.000 16.01022 N ? A ? 21 ND1 1
   ATOM 426 CD2 . HIS A 22 ? -1.47033 37.67208 10.78134 1.000 15.74659 C ? A ? 21 CD2 1
   ATOM 427 CE1 . HIS A 22 ? -2.74580 38.05410 9.06865 1.000 16.84905 C ? A ? 21 CE1 1
   ATOM 428 NE2 . HIS A 22 ? -2.15482 37.08757 9.74987 1.000 17.22213 N ? A ? 21 NE2 1
   ATOM 429 H . HIS A 22 ? 1.15263 39.12853 11.73559 1.000 17.97274 H ? A ? 21 H 1
   ATOM 430 HA . HIS A 22 ? -0.09030 40.62186 10.00166 1.000 18.28880 H ? A ? 21 HA 1
   ATOM 431 HB2 . HIS A 22 ? -0.99381 39.79160 12.45272 1.000 20.91983 H ? A ? 21 HB2 1
   ATOM 432 HB3 . HIS A 22 ? -1.81168 40.82130 11.56041 1.000 20.91983 H ? A ? 21 HB3 1
   ATOM 433 HD1 . HIS A 22 ? -2.79789 39.98645 9.41732 1.000 19.21226 H ? A ? 21 HD1 1
   ATOM 434 HD2 . HIS A 22 ? -0.92996 37.22985 11.39561 1.000 18.89591 H ? A ? 21 HD2 1
   ATOM 435 HE1 . HIS A 22 ? -3.24888 37.93963 8.29489 1.000 20.21886 H ? A ? 21 HE1 1
   ATOM 436 N . PHE A 23 ? 1.44349 42.22777 12.21958 1.000 18.36754 N ? A ? 22 N 1
   ATOM 437 CA . PHE A 23 ? 1.88610 43.56849 12.56083 1.000 17.37260 C ? A ? 22 CA 1
   ATOM 438 C . PHE A 23 ? 2.91220 44.02775 11.55630 1.000 16.93747 C ? A ? 22 C 1
   ATOM 439 O . PHE A 23 ? 2.72566 45.09235 10.89839 1.000 16.15029 O ? A ? 22 O 1
   ATOM 440 H . PHE A 23 ? 1.84233 41.60064 12.65229 1.000 22.04105 H ? A ? 22 H 1
   ATOM 441 HA . PHE A 23 ? 1.13654 44.18412 12.55417 1.000 20.84712 H ? A ? 22 HA 1
   ATOM 442 CB A PHE A 23 ? 2.47975 43.57035 13.98210 0.564 17.37379 C ? A ? 22 CB 1
   ATOM 443 CG A PHE A 23 ? 2.92227 44.91618 14.42151 0.564 14.57937 C ? A ? 22 CG 1
   ATOM 444 CD1 A PHE A 23 ? 4.25038 45.16148 14.57616 0.564 14.36711 C ? A ? 22 CD1 1
   ATOM 445 CD2 A PHE A 23 ? 1.99645 45.93185 14.71222 0.564 18.46475 C ? A ? 22 CD2 1
   ATOM 446 CE1 A PHE A 23 ? 4.71011 46.39803 14.95370 0.564 16.86673 C ? A ? 22 CE1 1
   ATOM 447 CE2 A PHE A 23 ? 2.43878 47.16922 15.10368 0.564 16.00527 C ? A ? 22 CE2 1
   ATOM 448 CZ A PHE A 23 ? 3.81708 47.41996 15.17187 0.564 14.09622 C ? A ? 22 CZ 1
   ATOM 449 HB2 A PHE A 23 ? 1.80545 43.25826 14.60565 0.564 20.84854 H ? A ? 22 HB2 1
   ATOM 450 HB3 A PHE A 23 ? 3.24935 42.98028 14.00292 0.564 20.84854 H ? A ? 22 HB3 1
   ATOM 451 HD1 A PHE A 23 ? 4.86049 44.47653 14.42280 0.564 17.24054 H ? A ? 22 HD1 1
   ATOM 452 HD2 A PHE A 23 ? 1.08443 45.76517 14.63924 0.564 22.15770 H ? A ? 22 HD2 1
   ATOM 453 HE1 A PHE A 23 ? 5.62222 46.54409 15.06152 0.564 20.24007 H ? A ? 22 HE1 1
   ATOM 454 HE2 A PHE A 23 ? 1.82962 47.83708 15.32229 0.564 19.20632 H ? A ? 22 HE2 1
   ATOM 455 HZ A PHE A 23 ? 4.12611 48.27575 15.36427 0.564 16.91546 H ? A ? 22 HZ 1
   ATOM 456 CB B PHE A 23 ? 2.56175 43.53715 13.94184 0.436 17.30949 C ? A ? 22 CB 1
   ATOM 457 CG B PHE A 23 ? 3.30574 44.80457 14.31110 0.436 14.37405 C ? A ? 22 CG 1
   ATOM 458 CD1 B PHE A 23 ? 2.61976 45.90520 14.78403 0.436 18.15751 C ? A ? 22 CD1 1
   ATOM 459 CD2 B PHE A 23 ? 4.69367 44.88275 14.19771 0.436 17.08465 C ? A ? 22 CD2 1
   ATOM 460 CE1 B PHE A 23 ? 3.24881 47.06969 15.10634 0.436 16.67180 C ? A ? 22 CE1 1
   ATOM 461 CE2 B PHE A 23 ? 5.35154 46.08858 14.52851 0.436 16.59028 C ? A ? 22 CE2 1
   ATOM 462 CZ B PHE A 23 ? 4.61581 47.16769 15.01098 0.436 14.28973 C ? A ? 22 CZ 1
   ATOM 463 HB2 B PHE A 23 ? 1.87929 43.39217 14.61573 0.436 20.77139 H ? A ? 22 HB2 1
   ATOM 464 HB3 B PHE A 23 ? 3.20165 42.80828 13.95553 0.436 20.77139 H ? A ? 22 HB3 1
   ATOM 465 HD1 B PHE A 23 ? 1.69703 45.84981 14.88604 0.436 21.78902 H ? A ? 22 HD1 1
   ATOM 466 HD2 B PHE A 23 ? 5.18227 44.14693 13.90663 0.436 20.50158 H ? A ? 22 HD2 1
   ATOM 467 HE1 B PHE A 23 ? 2.75087 47.80133 15.39210 0.436 20.00616 H ? A ? 22 HE1 1
   ATOM 468 HE2 B PHE A 23 ? 6.27282 46.16126 14.42434 0.436 19.90833 H ? A ? 22 HE2 1
   ATOM 469 HZ B PHE A 23 ? 5.04742 47.95057 15.26731 0.436 17.14768 H ? A ? 22 HZ 1
   ATOM 470 N . GLY A 24 ? 3.95430 43.24191 11.34629 1.000 17.29855 N ? A ? 23 N 1
   ATOM 471 CA . GLY A 24 ? 5.04958 43.65588 10.53215 1.000 16.90378 C ? A ? 23 CA 1
   ATOM 472 C . GLY A 24 ? 4.67138 43.84067 9.05421 1.000 17.10122 C ? A ? 23 C 1
   ATOM 473 O . GLY A 24 ? 5.30694 44.67324 8.34880 1.000 18.20315 O ? A ? 23 O 1
   ATOM 474 H . GLY A 24 ? 4.04293 42.45197 11.67451 1.000 20.75826 H ? A ? 23 H 1
   ATOM 475 HA2 . GLY A 24 ? 5.39069 44.50085 10.86466 1.000 20.28453 H ? A ? 23 HA2 1
   ATOM 476 HA3 . GLY A 24 ? 5.75261 42.98950 10.58308 1.000 20.28453 H ? A ? 23 HA3 1
   ATOM 477 N . ARG A 25 ? 3.68230 43.07823 8.55088 1.000 16.18043 N ? A ? 24 N 1
   ATOM 478 CA . ARG A 25 ? 3.34813 43.26664 7.10976 1.000 17.31062 C ? A ? 24 CA 1
   ATOM 479 C . ARG A 25 ? 2.79591 44.65274 6.85006 1.000 18.98846 C ? A ? 24 C 1
   ATOM 480 O . ARG A 25 ? 2.66007 45.01619 5.68881 1.000 16.70184 O ? A ? 24 O 1
   ATOM 481 CB . ARG A 25 ? 2.31938 42.24866 6.69334 1.000 15.06946 C ? A ? 24 CB 1
   ATOM 482 CG . ARG A 25 ? 0.98930 42.42409 7.26065 1.000 16.01487 C ? A ? 24 CG 1
   ATOM 483 CD . ARG A 25 ? 0.01742 41.33386 6.83363 1.000 17.92963 C ? A ? 24 CD 1
   ATOM 484 NE . ARG A 25 ? 0.46377 39.98097 7.19508 1.000 15.90603 N ? A ? 24 NE 1
   ATOM 485 CZ . ARG A 25 ? -0.07003 38.88154 6.67196 1.000 16.27161 C ? A ? 24 CZ 1
   ATOM 486 NH1 . ARG A 25 ? -1.08558 38.91993 5.84711 1.000 16.22073 N ? A ? 24 NH1 1
   ATOM 487 NH2 . ARG A 25 ? 0.42558 37.70129 6.98757 1.000 16.33188 N ? A ? 24 NH2 1
   ATOM 488 H . ARG A 25 ? 3.22354 42.49170 8.98113 1.000 19.41651 H ? A ? 24 H 1
   ATOM 489 HA . ARG A 25 ? 4.14468 43.13406 6.57233 1.000 20.77274 H ? A ? 24 HA 1
   ATOM 490 HB2 . ARG A 25 ? 2.22768 42.28635 5.72842 1.000 18.08335 H ? A ? 24 HB2 1
   ATOM 491 HB3 . ARG A 25 ? 2.63346 41.37135 6.96272 1.000 18.08335 H ? A ? 24 HB3 1
   ATOM 492 HG2 . ARG A 25 ? 1.05325 42.40581 8.22837 1.000 19.21784 H ? A ? 24 HG2 1
   ATOM 493 HG3 . ARG A 25 ? 0.63045 43.27641 6.96792 1.000 19.21784 H ? A ? 24 HG3 1
   ATOM 494 HD2 . ARG A 25 ? -0.83785 41.48951 7.26397 1.000 21.51555 H ? A ? 24 HD2 1
   ATOM 495 HD3 . ARG A 25 ? -0.08568 41.36514 5.86963 1.000 21.51555 H ? A ? 24 HD3 1
   ATOM 496 HE . ARG A 25 ? 1.09783 39.89693 7.76998 1.000 19.08723 H ? A ? 24 HE 1
   ATOM 497 HH11 . ARG A 25 ? -1.43135 39.67557 5.62566 1.000 19.46487 H ? A ? 24 HH11 1
   ATOM 498 HH12 . ARG A 25 ? -1.40707 38.18950 5.52659 1.000 19.46487 H ? A ? 24 HH12 1
   ATOM 499 HH21 . ARG A 25 ? 1.09102 37.64529 7.52946 1.000 19.59826 H ? A ? 24 HH21 1
   ATOM 500 HH22 . ARG A 25 ? 0.08342 36.98742 6.65155 1.000 19.59826 H ? A ? 24 HH22 1
   ATOM 501 N . MET A 26 ? 2.42276 45.43612 7.81224 1.000 16.85328 N ? A ? 25 N 1
   ATOM 502 CA . MET A 26 ? 1.96098 46.79525 7.64959 1.000 16.24268 C ? A ? 25 CA 1
   ATOM 503 C . MET A 26 ? 3.04517 47.81926 7.61815 1.000 16.91668 C ? A ? 25 C 1
   ATOM 504 O . MET A 26 ? 2.77827 48.99062 7.25054 1.000 16.58022 O ? A ? 25 O 1
   ATOM 505 CB . MET A 26 ? 0.89066 47.18762 8.63845 1.000 16.56094 C ? A ? 25 CB 1
   ATOM 506 CG . MET A 26 ? -0.30765 46.28947 8.71195 1.000 17.35359 C ? A ? 25 CG 1
   ATOM 507 SD . MET A 26 ? -1.69223 46.90168 9.74651 1.000 17.27420 S ? A ? 25 SD 1
   ATOM 508 CE . MET A 26 ? -1.01335 46.33880 11.33342 1.000 17.45125 C ? A ? 25 CE 1
   ATOM 509 H . MET A 26 ? 2.42401 45.19491 8.63772 1.000 20.22393 H ? A ? 25 H 1
   ATOM 510 HA . MET A 26 ? 1.51562 46.81169 6.78803 1.000 19.49122 H ? A ? 25 HA 1
   ATOM 511 HB2 . MET A 26 ? 1.28861 47.20511 9.52289 1.000 19.87313 H ? A ? 25 HB2 1
   ATOM 512 HB3 . MET A 26 ? 0.57015 48.07189 8.40132 1.000 19.87313 H ? A ? 25 HB3 1
   ATOM 513 HG2 . MET A 26 ? -0.65208 46.16585 7.81363 1.000 20.82431 H ? A ? 25 HG2 1
   ATOM 514 HG3 . MET A 26 ? -0.02797 45.43682 9.08028 1.000 20.82431 H ? A ? 25 HG3 1
   ATOM 515 HE1 . MET A 26 ? -1.64585 46.54641 12.03893 1.000 20.94150 H ? A ? 25 HE1 1
   ATOM 516 HE2 . MET A 26 ? -0.86656 45.38086 11.29213 1.000 20.94150 H ? A ? 25 HE2 1
   ATOM 517 HE3 . MET A 26 ? -0.17337 46.79539 11.49732 1.000 20.94150 H ? A ? 25 HE3 1
   ATOM 518 N A THR A 27 ? 4.28412 47.43732 7.93898 0.288 16.45282 N ? A ? 26 N 1
   ATOM 519 CA A THR A 27 ? 5.40094 48.37212 7.90529 0.288 17.23264 C ? A ? 26 CA 1
   ATOM 520 C A THR A 27 ? 5.50605 49.13225 6.58103 0.288 16.63898 C ? A ? 26 C 1
   ATOM 521 O A THR A 27 ? 5.70378 50.35227 6.60834 0.288 17.19670 O ? A ? 26 O 1
   ATOM 522 CB A THR A 27 ? 6.71258 47.63753 8.23734 0.288 17.61974 C ? A ? 26 CB 1
   ATOM 523 OG1 A THR A 27 ? 6.70203 47.24598 9.62106 0.288 19.82479 O ? A ? 26 OG1 1
   ATOM 524 CG2 A THR A 27 ? 7.94145 48.50185 7.99580 0.288 22.53295 C ? A ? 26 CG2 1
   ATOM 525 H A THR A 27 ? 4.50091 46.64057 8.17937 0.288 19.74339 H ? A ? 26 H 1
   ATOM 526 HA A THR A 27 ? 5.25117 49.02687 8.60513 0.288 20.67916 H ? A ? 26 HA 1
   ATOM 527 HB A THR A 27 ? 6.77750 46.86350 7.65634 0.288 21.14369 H ? A ? 26 HB 1
   ATOM 528 HG1 A THR A 27 ? 6.06065 46.72353 9.76692 0.288 23.78975 H ? A ? 26 HG1 1
   ATOM 529 HG21 A THR A 27 ? 8.71863 48.09727 8.41199 0.288 27.03953 H ? A ? 26 HG21 1
   ATOM 530 HG22 A THR A 27 ? 8.10385 48.58890 7.04346 0.288 27.03953 H ? A ? 26 HG22 1
   ATOM 531 HG23 A THR A 27 ? 7.80564 49.38471 8.37398 0.288 27.03953 H ? A ? 26 HG23 1
   ATOM 532 N B THR A 27 ? 4.28258 47.46583 7.96859 0.712 16.45808 N ? A ? 26 N 1
   ATOM 533 CA B THR A 27 ? 5.35278 48.44131 7.96153 0.712 17.12136 C ? A ? 26 CA 1
   ATOM 534 C B THR A 27 ? 5.43260 49.18366 6.60871 0.712 16.59745 C ? A ? 26 C 1
   ATOM 535 O B THR A 27 ? 5.51750 50.40878 6.60196 0.712 17.42537 O ? A ? 26 O 1
   ATOM 536 CB B THR A 27 ? 6.71475 47.80944 8.33757 0.712 17.13313 C ? A ? 26 CB 1
   ATOM 537 OG1 B THR A 27 ? 6.58458 47.06477 9.57142 0.712 19.95322 O ? A ? 26 OG1 1
   ATOM 538 CG2 B THR A 27 ? 7.77867 48.79857 8.58528 0.712 21.08236 C ? A ? 26 CG2 1
   ATOM 539 H B THR A 27 ? 4.51847 46.67500 8.21053 0.712 19.74969 H ? A ? 26 H 1
   ATOM 540 HA B THR A 27 ? 5.16116 49.07870 8.66716 0.712 20.54564 H ? A ? 26 HA 1
   ATOM 541 HB B THR A 27 ? 6.96971 47.25451 7.58394 0.712 20.55976 H ? A ? 26 HB 1
   ATOM 542 HG1 B THR A 27 ? 5.99754 46.46986 9.48737 0.712 23.94386 H ? A ? 26 HG1 1
   ATOM 543 HG21 B THR A 27 ? 8.51584 48.38153 9.05811 0.712 25.29883 H ? A ? 26 HG21 1
   ATOM 544 HG22 B THR A 27 ? 8.10492 49.15280 7.74327 0.712 25.29883 H ? A ? 26 HG22 1
   ATOM 545 HG23 B THR A 27 ? 7.43381 49.52942 9.12178 0.712 25.29883 H ? A ? 26 HG23 1
   ATOM 546 N A PRO A 28 ? 5.44262 48.49719 5.41750 0.288 17.45498 N ? A ? 27 N 1
   ATOM 547 CA A PRO A 28 ? 5.54100 49.29386 4.19065 0.288 17.77502 C ? A ? 27 CA 1
   ATOM 548 C A PRO A 28 ? 4.40064 50.27029 4.00320 0.288 17.91044 C ? A ? 27 C 1
   ATOM 549 O A PRO A 28 ? 4.58859 51.31491 3.36580 0.288 17.25759 O ? A ? 27 O 1
   ATOM 550 CB A PRO A 28 ? 5.57381 48.22675 3.08288 0.288 18.37192 C ? A ? 27 CB 1
   ATOM 551 CG A PRO A 28 ? 5.99475 46.96276 3.76623 0.288 19.68080 C ? A ? 27 CG 1
   ATOM 552 CD A PRO A 28 ? 5.39908 47.05149 5.14342 0.288 18.02523 C ? A ? 27 CD 1
   ATOM 553 HA A PRO A 28 ? 6.37696 49.78582 4.18479 0.288 21.33003 H ? A ? 27 HA 1
   ATOM 554 HB2 A PRO A 28 ? 4.69144 48.13143 2.69145 0.288 22.04630 H ? A ? 27 HB2 1
   ATOM 555 HB3 A PRO A 28 ? 6.21404 48.48088 2.39992 0.288 22.04630 H ? A ? 27 HB3 1
   ATOM 556 HG2 A PRO A 28 ? 5.64651 46.19513 3.28626 0.288 23.61696 H ? A ? 27 HG2 1
   ATOM 557 HG3 A PRO A 28 ? 6.96268 46.91609 3.80909 0.288 23.61696 H ? A ? 27 HG3 1
   ATOM 558 HD2 A PRO A 28 ? 4.48632 46.72326 5.14977 0.288 21.63028 H ? A ? 27 HD2 1
   ATOM 559 HD3 A PRO A 28 ? 5.93320 46.55904 5.78616 0.288 21.63028 H ? A ? 27 HD3 1
   ATOM 560 N B PRO A 28 ? 5.45735 48.52777 5.46542 0.712 17.47096 N ? A ? 27 N 1
   ATOM 561 CA B PRO A 28 ? 5.54175 49.32420 4.25295 0.712 17.57050 C ? A ? 27 CA 1
   ATOM 562 C B PRO A 28 ? 4.41646 50.28236 4.04986 0.712 17.98429 C ? A ? 27 C 1
   ATOM 563 O B PRO A 28 ? 4.63036 51.30634 3.37776 0.712 17.10456 O ? A ? 27 O 1
   ATOM 564 CB B PRO A 28 ? 5.55922 48.24955 3.14195 0.712 18.23535 C ? A ? 27 CB 1
   ATOM 565 CG B PRO A 28 ? 6.03983 47.01641 3.80212 0.712 19.55755 C ? A ? 27 CG 1
   ATOM 566 CD B PRO A 28 ? 5.48078 47.08729 5.19400 0.712 18.01616 C ? A ? 27 CD 1
   ATOM 567 HA B PRO A 28 ? 6.37395 49.82248 4.26097 0.712 21.08460 H ? A ? 27 HA 1
   ATOM 568 HB2 B PRO A 28 ? 4.66430 48.12688 2.78843 0.712 21.88242 H ? A ? 27 HB2 1
   ATOM 569 HB3 B PRO A 28 ? 6.16226 48.51983 2.43189 0.712 21.88242 H ? A ? 27 HB3 1
   ATOM 570 HG2 B PRO A 28 ? 5.70545 46.23645 3.33227 0.712 23.46906 H ? A ? 27 HG2 1
   ATOM 571 HG3 B PRO A 28 ? 7.00964 47.00426 3.81700 0.712 23.46906 H ? A ? 27 HG3 1
   ATOM 572 HD2 B PRO A 28 ? 4.58625 46.71369 5.22764 0.712 21.61939 H ? A ? 27 HD2 1
   ATOM 573 HD3 B PRO A 28 ? 6.05707 46.62545 5.82289 0.712 21.61939 H ? A ? 27 HD3 1
   ATOM 574 N . VAL A 29 ? 3.20899 49.94861 4.51022 1.000 17.53527 N ? A ? 28 N 1
   ATOM 575 CA . VAL A 29 ? 2.07209 50.82039 4.42327 1.000 14.98695 C ? A ? 28 CA 1
   ATOM 576 C . VAL A 29 ? 2.25380 52.02737 5.31408 1.000 18.51887 C ? A ? 28 C 1
   ATOM 577 O . VAL A 29 ? 2.08696 53.17682 4.86996 1.000 18.78183 O ? A ? 28 O 1
   ATOM 578 CB . VAL A 29 ? 0.76715 50.05755 4.67656 1.000 18.84140 C ? A ? 28 CB 1
   ATOM 579 CG1 . VAL A 29 ? -0.44059 50.95136 4.66331 1.000 19.02758 C ? A ? 28 CG1 1
   ATOM 580 CG2 . VAL A 29 ? 0.59030 48.90586 3.71122 1.000 19.50684 C ? A ? 28 CG2 1
   ATOM 581 HA . VAL A 29 ? 2.01098 51.15703 3.51561 1.000 17.98434 H ? A ? 28 HA 1
   ATOM 582 HB . VAL A 29 ? 0.83691 49.68918 5.57117 1.000 22.60968 H ? A ? 28 HB 1
   ATOM 583 HG11 . VAL A 29 ? -1.24003 50.40199 4.66123 1.000 22.83309 H ? A ? 28 HG11 1
   ATOM 584 HG12 . VAL A 29 ? -0.42690 51.51249 5.45441 1.000 22.83309 H ? A ? 28 HG12 1
   ATOM 585 HG13 . VAL A 29 ? -0.41637 51.50316 3.86592 1.000 22.83309 H ? A ? 28 HG13 1
   ATOM 586 HG21 . VAL A 29 ? -0.26102 48.47509 3.88610 1.000 23.40821 H ? A ? 28 HG21 1
   ATOM 587 HG22 . VAL A 29 ? 0.60732 49.24876 2.80401 1.000 23.40821 H ? A ? 28 HG22 1
   ATOM 588 HG23 . VAL A 29 ? 1.31388 48.27263 3.83912 1.000 23.40821 H ? A ? 28 HG23 1
   ATOM 589 H A VAL A 29 ? 3.04187 49.20969 4.91723 0.288 21.04232 H ? A ? 28 H 1
   ATOM 590 H B VAL A 29 ? 3.02980 49.19650 4.88681 0.712 21.04232 H ? A ? 28 H 1
   ATOM 591 N . VAL A 30 ? 2.67113 51.82554 6.57162 1.000 18.54761 N ? A ? 29 N 1
   ATOM 592 CA . VAL A 30 ? 2.87820 52.99860 7.40949 1.000 17.69212 C ? A ? 29 CA 1
   ATOM 593 C . VAL A 30 ? 3.96504 53.90112 6.90938 1.000 20.81651 C ? A ? 29 C 1
   ATOM 594 O . VAL A 30 ? 3.84581 55.12859 7.01870 1.000 23.11412 O ? A ? 29 O 1
   ATOM 595 CB . VAL A 30 ? 3.10856 52.57044 8.88172 1.000 22.80462 C ? A ? 29 CB 1
   ATOM 596 CG1 . VAL A 30 ? 1.95037 51.79463 9.42210 1.000 24.89711 C ? A ? 29 CG1 1
   ATOM 597 CG2 . VAL A 30 ? 4.34735 51.85977 9.07844 1.000 29.56486 C ? A ? 29 CG2 1
   ATOM 598 H . VAL A 30 ? 2.83034 51.06307 6.93617 1.000 22.25713 H ? A ? 29 H 1
   ATOM 599 HA . VAL A 30 ? 2.06367 53.52339 7.36424 1.000 21.23055 H ? A ? 29 HA 1
   ATOM 600 HB . VAL A 30 ? 3.18121 53.39093 9.39399 1.000 27.36554 H ? A ? 29 HB 1
   ATOM 601 HG11 . VAL A 30 ? 2.13561 51.55055 10.34243 1.000 29.87653 H ? A ? 29 HG11 1
   ATOM 602 HG12 . VAL A 30 ? 1.15362 52.34628 9.38013 1.000 29.87653 H ? A ? 29 HG12 1
   ATOM 603 HG13 . VAL A 30 ? 1.82798 50.99546 8.88615 1.000 29.87653 H ? A ? 29 HG13 1
   ATOM 604 HG21 . VAL A 30 ? 4.43394 51.62982 10.01680 1.000 35.47783 H ? A ? 29 HG21 1
   ATOM 605 HG22 . VAL A 30 ? 4.33768 51.05317 8.53974 1.000 35.47783 H ? A ? 29 HG22 1
   ATOM 606 HG23 . VAL A 30 ? 5.08453 52.42930 8.80805 1.000 35.47783 H ? A ? 29 HG23 1
   ATOM 607 N . LYS A 31 ? 4.97201 53.35482 6.21388 1.000 16.48462 N ? A ? 30 N 1
   ATOM 608 CA . LYS A 31 ? 6.04111 54.14924 5.61949 1.000 19.18582 C ? A ? 30 CA 1
   ATOM 609 C . LYS A 31 ? 5.70838 54.74870 4.26100 1.000 19.07790 C ? A ? 30 C 1
   ATOM 610 O . LYS A 31 ? 6.52198 55.52870 3.76233 1.000 21.41585 O ? A ? 30 O 1
   ATOM 611 CB . LYS A 31 ? 7.30791 53.25041 5.51015 1.000 20.44492 C ? A ? 30 CB 1
   ATOM 612 CG . LYS A 31 ? 7.89878 52.88383 6.82680 1.000 22.31363 C ? A ? 30 CG 1
   ATOM 613 CD . LYS A 31 ? 8.99780 51.95490 6.55171 1.000 27.29843 C ? A ? 30 CD 1
   ATOM 614 CE . LYS A 31 ? 9.92128 52.03669 7.73570 1.000 50.07891 C ? A ? 30 CE 1
   ATOM 615 NZ . LYS A 31 ? 11.00547 51.05853 7.47064 1.000 48.05581 N ? A ? 30 NZ 1
   ATOM 616 H . LYS A 31 ? 5.05521 52.51058 6.07269 1.000 19.78155 H ? A ? 30 H 1
   ATOM 617 HA . LYS A 31 ? 6.22775 54.90588 6.19703 1.000 23.02298 H ? A ? 30 HA 1
   ATOM 618 HB2 . LYS A 31 ? 7.06866 52.42858 5.05380 1.000 24.53391 H ? A ? 30 HB2 1
   ATOM 619 HB3 . LYS A 31 ? 7.98492 53.72604 5.00386 1.000 24.53391 H ? A ? 30 HB3 1
   ATOM 620 HG2 . LYS A 31 ? 8.24412 53.67176 7.27490 1.000 26.77635 H ? A ? 30 HG2 1
   ATOM 621 HG3 . LYS A 31 ? 7.23709 52.44744 7.38594 1.000 26.77635 H ? A ? 30 HG3 1
   ATOM 622 HD2 . LYS A 31 ? 8.66395 51.04885 6.45944 1.000 32.75812 H ? A ? 30 HD2 1
   ATOM 623 HD3 . LYS A 31 ? 9.47303 52.21685 5.74770 1.000 32.75812 H ? A ? 30 HD3 1
   ATOM 624 HE2 . LYS A 31 ? 10.29547 52.92788 7.81739 1.000 60.09469 H ? A ? 30 HE2 1
   ATOM 625 HE3 . LYS A 31 ? 9.45449 51.79682 8.55147 1.000 60.09469 H ? A ? 30 HE3 1
   ATOM 626 HZ1 . LYS A 31 ? 11.68565 51.19983 8.02697 1.000 57.66697 H ? A ? 30 HZ1 1
   ATOM 627 HZ2 . LYS A 31 ? 10.70326 50.22976 7.58857 1.000 57.66697 H ? A ? 30 HZ2 1
   ATOM 628 HZ3 . LYS A 31 ? 11.29464 51.14410 6.63329 1.000 57.66697 H ? A ? 30 HZ3 1
   ATOM 629 N . GLY A 32 ? 4.57263 54.38663 3.67535 1.000 19.01066 N ? A ? 31 N 1
   ATOM 630 CA . GLY A 32 ? 4.23297 54.90951 2.36500 1.000 18.05117 C ? A ? 31 CA 1
   ATOM 631 C . GLY A 32 ? 4.86070 54.15437 1.24630 1.000 16.80878 C ? A ? 31 C 1
   ATOM 632 O . GLY A 32 ? 4.64512 54.57096 0.08274 1.000 17.43591 O ? A ? 31 O 1
   ATOM 633 H . GLY A 32 ? 3.99377 53.84804 4.01363 1.000 22.81279 H ? A ? 31 H 1
   ATOM 634 HA2 . GLY A 32 ? 3.27039 54.87477 2.25037 1.000 21.66141 H ? A ? 31 HA2 1
   ATOM 635 HA3 . GLY A 32 ? 4.52473 55.83281 2.30753 1.000 21.66141 H ? A ? 31 HA3 1
   ATOM 636 N B GLN A 33 ? 5.63073 53.12583 1.50203 0.511 17.13464 N ? A ? 32 N 1
   ATOM 637 CA B GLN A 33 ? 6.29442 52.35288 0.45619 0.511 16.73107 C ? A ? 32 CA 1
   ATOM 638 C B GLN A 33 ? 5.30881 51.49695 -0.31532 0.511 17.30971 C ? A ? 32 C 1
   ATOM 639 O B GLN A 33 ? 5.52787 51.23081 -1.52356 0.511 16.18840 O ? A ? 32 O 1
   ATOM 640 CB B GLN A 33 ? 7.39936 51.46575 1.02936 0.511 19.20586 C ? A ? 32 CB 1
   ATOM 641 CG B GLN A 33 ? 8.48207 52.25905 1.74825 0.511 23.75994 C ? A ? 32 CG 1
   ATOM 642 CD B GLN A 33 ? 9.44253 51.39182 2.61798 0.511 21.63113 C ? A ? 32 CD 1
   ATOM 643 OE1 B GLN A 33 ? 9.04938 50.39786 3.27559 0.511 29.02984 O ? A ? 32 OE1 1
   ATOM 644 NE2 B GLN A 33 ? 10.71290 51.75913 2.59016 0.511 28.88116 N ? A ? 32 NE2 1
   ATOM 645 H B GLN A 33 ? 5.79829 52.83596 2.29417 0.511 20.56156 H ? A ? 32 H 1
   ATOM 646 HA B GLN A 33 ? 6.71144 52.98356 -0.15146 0.511 20.07729 H ? A ? 32 HA 1
   ATOM 647 HB2 B GLN A 33 ? 7.00841 50.84694 1.66586 0.511 23.04703 H ? A ? 32 HB2 1
   ATOM 648 HB3 B GLN A 33 ? 7.81799 50.97569 0.30446 0.511 23.04703 H ? A ? 32 HB3 1
   ATOM 649 HG2 B GLN A 33 ? 9.02106 52.71898 1.08579 0.511 28.51193 H ? A ? 32 HG2 1
   ATOM 650 HG3 B GLN A 33 ? 8.05637 52.90349 2.33509 0.511 28.51193 H ? A ? 32 HG3 1
   ATOM 651 HE21 B GLN A 33 ? 10.95522 52.43352 2.11468 0.511 34.65739 H ? A ? 32 HE21 1
   ATOM 652 HE22 B GLN A 33 ? 11.29657 51.32356 3.04755 0.511 34.65739 H ? A ? 32 HE22 1
   ATOM 653 N C GLN A 33 ? 5.62007 53.11443 1.47904 0.489 17.05718 N ? A ? 32 N 1
   ATOM 654 CA C GLN A 33 ? 6.27973 52.32375 0.43594 0.489 16.72764 C ? A ? 32 CA 1
   ATOM 655 C C GLN A 33 ? 5.34215 51.32664 -0.21926 0.489 16.98015 C ? A ? 32 C 1
   ATOM 656 O C GLN A 33 ? 5.70488 50.73892 -1.27580 0.489 17.31263 O ? A ? 32 O 1
   ATOM 657 CB C GLN A 33 ? 7.51836 51.61569 0.98494 0.489 19.47249 C ? A ? 32 CB 1
   ATOM 658 CG C GLN A 33 ? 8.58235 52.59392 1.50855 0.489 19.95336 C ? A ? 32 CG 1
   ATOM 659 CD C GLN A 33 ? 9.59880 51.89084 2.40016 0.489 27.29240 C ? A ? 32 CD 1
   ATOM 660 OE1 C GLN A 33 ? 9.84026 50.68921 2.26685 0.489 28.74130 O ? A ? 32 OE1 1
   ATOM 661 NE2 C GLN A 33 ? 10.19271 52.64097 3.30761 0.489 34.94850 N ? A ? 32 NE2 1
   ATOM 662 H C GLN A 33 ? 5.78696 52.81897 2.26927 0.489 20.46861 H ? A ? 32 H 1
   ATOM 663 HA C GLN A 33 ? 6.59601 52.92708 -0.25461 0.489 20.07317 H ? A ? 32 HA 1
   ATOM 664 HB2 C GLN A 33 ? 7.25296 51.03997 1.71910 0.489 23.36699 H ? A ? 32 HB2 1
   ATOM 665 HB3 C GLN A 33 ? 7.91914 51.08726 0.27710 0.489 23.36699 H ? A ? 32 HB3 1
   ATOM 666 HG2 C GLN A 33 ? 9.05489 52.98592 0.75759 0.489 23.94404 H ? A ? 32 HG2 1
   ATOM 667 HG3 C GLN A 33 ? 8.15028 53.28963 2.02836 0.489 23.94404 H ? A ? 32 HG3 1
   ATOM 668 HE21 C GLN A 33 ? 9.99764 53.47626 3.36966 0.489 41.93820 H ? A ? 32 HE21 1
   ATOM 669 HE22 C GLN A 33 ? 10.77511 52.29490 3.83737 0.489 41.93820 H ? A ? 32 HE22 1
   ATOM 670 N B ALA A 34 ? 4.24831 51.02825 0.31940 0.511 16.01194 N ? A ? 33 N 1
   ATOM 671 CA B ALA A 34 ? 3.12304 50.36139 -0.30484 0.511 16.31726 C ? A ? 33 CA 1
   ATOM 672 C B ALA A 34 ? 1.89576 51.21539 -0.10079 0.511 17.16902 C ? A ? 33 C 1
   ATOM 673 O B ALA A 34 ? 1.84519 52.01205 0.83543 0.511 17.65321 O ? A ? 33 O 1
   ATOM 674 CB B ALA A 34 ? 2.93729 48.99843 0.39261 0.511 19.06274 C ? A ? 33 CB 1
   ATOM 675 H B ALA A 34 ? 4.15111 51.08904 1.17172 0.511 19.21433 H ? A ? 33 H 1
   ATOM 676 HA B ALA A 34 ? 3.24353 50.22213 -1.25720 0.511 19.58071 H ? A ? 33 HA 1
   ATOM 677 HB1 B ALA A 34 ? 2.18792 48.53540 -0.01351 0.511 22.87529 H ? A ? 33 HB1 1
   ATOM 678 HB2 B ALA A 34 ? 3.74709 48.47549 0.28466 0.511 22.87529 H ? A ? 33 HB2 1
   ATOM 679 HB3 B ALA A 34 ? 2.76276 49.14717 1.33512 0.511 22.87529 H ? A ? 33 HB3 1
   ATOM 680 N C ALA A 34 ? 4.13747 51.18172 0.31138 0.489 16.11370 N ? A ? 33 N 1
   ATOM 681 CA C ALA A 34 ? 3.04531 50.40397 -0.24894 0.489 16.23566 C ? A ? 33 CA 1
   ATOM 682 C C ALA A 34 ? 1.78341 51.21825 -0.10231 0.489 17.30132 C ? A ? 33 C 1
   ATOM 683 O C ALA A 34 ? 1.67943 52.05939 0.79428 0.489 17.57062 O ? A ? 33 O 1
   ATOM 684 CB C ALA A 34 ? 2.92055 49.07630 0.52380 0.489 19.08652 C ? A ? 33 CB 1
   ATOM 685 H C ALA A 34 ? 3.91164 51.55334 1.05333 0.489 19.33644 H ? A ? 33 H 1
   ATOM 686 HA C ALA A 34 ? 3.17215 50.20975 -1.19079 0.489 19.48279 H ? A ? 33 HA 1
   ATOM 687 HB1 C ALA A 34 ? 2.19727 48.55515 0.14148 0.489 22.90382 H ? A ? 33 HB1 1
   ATOM 688 HB2 C ALA A 34 ? 3.75535 48.58795 0.44941 0.489 22.90382 H ? A ? 33 HB2 1
   ATOM 689 HB3 C ALA A 34 ? 2.73234 49.26966 1.45551 0.489 22.90382 H ? A ? 33 HB3 1
   ATOM 690 N B PRO A 35 ? 0.91956 51.13290 -1.00110 0.511 16.85847 N ? A ? 34 N 1
   ATOM 691 CA B PRO A 35 ? -0.27670 51.96854 -0.85440 0.511 17.19161 C ? A ? 34 CA 1
   ATOM 692 C B PRO A 35 ? -1.14078 51.61337 0.35038 0.511 17.57057 C ? A ? 34 C 1
   ATOM 693 O B PRO A 35 ? -1.07091 50.51542 0.92840 0.511 18.84671 O ? A ? 34 O 1
   ATOM 694 CB B PRO A 35 ? -1.05913 51.71417 -2.15219 0.511 19.67176 C ? A ? 34 CB 1
   ATOM 695 CG B PRO A 35 ? -0.51024 50.50852 -2.69323 0.511 17.65277 C ? A ? 34 CG 1
   ATOM 696 CD B PRO A 35 ? 0.86928 50.23631 -2.15274 0.511 18.63859 C ? A ? 34 CD 1
   ATOM 697 HA B PRO A 35 ? -0.00025 52.89558 -0.78325 0.511 20.62993 H ? A ? 34 HA 1
   ATOM 698 HB2 B PRO A 35 ? -2.00205 51.60587 -1.95203 0.511 23.60611 H ? A ? 34 HB2 1
   ATOM 699 HB3 B PRO A 35 ? -0.93287 52.45673 -2.76339 0.511 23.60611 H ? A ? 34 HB3 1
   ATOM 700 HG2 B PRO A 35 ? -1.09917 49.77468 -2.45755 0.511 21.18333 H ? A ? 34 HG2 1
   ATOM 701 HG3 B PRO A 35 ? -0.46578 50.60161 -3.65772 0.511 21.18333 H ? A ? 34 HG3 1
   ATOM 702 HD2 B PRO A 35 ? 0.96337 49.30996 -1.88087 0.511 22.36630 H ? A ? 34 HD2 1
   ATOM 703 HD3 B PRO A 35 ? 1.55220 50.46207 -2.80354 0.511 22.36630 H ? A ? 34 HD3 1
   ATOM 704 N C PRO A 35 ? 0.82431 51.04122 -1.00725 0.489 16.89178 N ? A ? 34 N 1
   ATOM 705 CA C PRO A 35 ? -0.39840 51.84221 -0.93822 0.489 17.18368 C ? A ? 34 CA 1
   ATOM 706 C C PRO A 35 ? -1.24319 51.55486 0.29597 0.489 17.68182 C ? A ? 34 C 1
   ATOM 707 O C PRO A 35 ? -1.20039 50.45915 0.88986 0.489 18.95841 O ? A ? 34 O 1
   ATOM 708 CB C PRO A 35 ? -1.15472 51.44587 -2.22436 0.489 18.60782 C ? A ? 34 CB 1
   ATOM 709 CG C PRO A 35 ? -0.60008 50.16199 -2.61203 0.489 20.32293 C ? A ? 34 CG 1
   ATOM 710 CD C PRO A 35 ? 0.81426 50.04509 -2.07799 0.489 18.50535 C ? A ? 34 CD 1
   ATOM 711 HA C PRO A 35 ? -0.16669 52.78410 -0.94599 0.489 20.62041 H ? A ? 34 HA 1
   ATOM 712 HB2 C PRO A 35 ? -2.10381 51.37124 -2.03847 0.489 22.32939 H ? A ? 34 HB2 1
   ATOM 713 HB3 C PRO A 35 ? -1.00299 52.11111 -2.91380 0.489 22.32939 H ? A ? 34 HB3 1
   ATOM 714 HG2 C PRO A 35 ? -1.15324 49.45712 -2.24044 0.489 24.38752 H ? A ? 34 HG2 1
   ATOM 715 HG3 C PRO A 35 ? -0.59394 50.10330 -3.58024 0.489 24.38752 H ? A ? 34 HG3 1
   ATOM 716 HD2 C PRO A 35 ? 0.98360 49.15587 -1.72940 0.489 22.20642 H ? A ? 34 HD2 1
   ATOM 717 HD3 C PRO A 35 ? 1.46545 50.26235 -2.76330 0.489 22.20642 H ? A ? 34 HD3 1
   ATOM 718 N . TYR A 36 ? -1.95979 52.56662 0.71472 1.000 17.29317 N ? A ? 35 N 1
   ATOM 719 CA . TYR A 36 ? -2.89012 52.47114 1.83976 1.000 19.70906 C ? A ? 35 CA 1
   ATOM 720 C . TYR A 36 ? -4.29062 52.22225 1.32327 1.000 19.25309 C ? A ? 35 C 1
   ATOM 721 O . TYR A 36 ? -4.90605 53.11669 0.69952 1.000 20.02129 O ? A ? 35 O 1
   ATOM 722 CB . TYR A 36 ? -2.84237 53.69370 2.73318 1.000 20.57799 C ? A ? 35 CB 1
   ATOM 723 CG . TYR A 36 ? -3.89851 53.67031 3.84081 1.000 18.82513 C ? A ? 35 CG 1
   ATOM 724 CD1 . TYR A 36 ? -4.02396 52.58268 4.70513 1.000 16.84842 C ? A ? 35 CD1 1
   ATOM 725 CD2 . TYR A 36 ? -4.72198 54.75874 4.06323 1.000 21.11232 C ? A ? 35 CD2 1
   ATOM 726 CE1 . TYR A 36 ? -4.97565 52.61257 5.71955 1.000 18.50432 C ? A ? 35 CE1 1
   ATOM 727 CE2 . TYR A 36 ? -5.68110 54.76879 5.04824 1.000 19.56824 C ? A ? 35 CE2 1
   ATOM 728 CZ . TYR A 36 ? -5.74744 53.69746 5.91191 1.000 18.34456 C ? A ? 35 CZ 1
   ATOM 729 OH . TYR A 36 ? -6.69350 53.63282 6.87882 1.000 20.21831 O ? A ? 35 OH 1
   ATOM 730 HA . TYR A 36 ? -2.62535 51.70647 2.37460 1.000 23.65087 H ? A ? 35 HA 1
   ATOM 731 HB2 . TYR A 36 ? -1.96953 53.74188 3.15357 1.000 24.69359 H ? A ? 35 HB2 1
   ATOM 732 HB3 . TYR A 36 ? -2.99417 54.48443 2.19224 1.000 24.69359 H ? A ? 35 HB3 1
   ATOM 733 HD1 . TYR A 36 ? -3.47333 51.84011 4.60366 1.000 20.21811 H ? A ? 35 HD1 1
   ATOM 734 HD2 . TYR A 36 ? -4.62335 55.51188 3.52662 1.000 25.33479 H ? A ? 35 HD2 1
   ATOM 735 HE1 . TYR A 36 ? -5.07973 51.87207 6.27246 1.000 22.20518 H ? A ? 35 HE1 1
   ATOM 736 HE2 . TYR A 36 ? -6.27168 55.48257 5.12967 1.000 23.48189 H ? A ? 35 HE2 1
   ATOM 737 HH . TYR A 36 ? -6.93417 54.40731 7.09752 1.000 24.26197 H ? A ? 35 HH 1
   ATOM 738 H B TYR A 36 ? -2.00746 53.32488 0.31176 0.511 20.75181 H ? A ? 35 H 1
   ATOM 739 H C TYR A 36 ? -1.93269 53.34960 0.36004 0.489 20.75181 H ? A ? 35 H 1
   ATOM 740 N . ASP A 37 ? -4.84506 51.02103 1.57452 1.000 18.93173 N ? A ? 36 N 1
   ATOM 741 CA . ASP A 37 ? -6.23154 50.62601 1.28103 1.000 18.13343 C ? A ? 36 CA 1
   ATOM 742 C . ASP A 37 ? -6.88613 50.45624 2.62520 1.000 17.13542 C ? A ? 36 C 1
   ATOM 743 O . ASP A 37 ? -6.51451 49.53853 3.42997 1.000 17.60697 O ? A ? 36 O 1
   ATOM 744 H . ASP A 37 ? -4.40573 50.37781 1.93902 1.000 22.71807 H ? A ? 36 H 1
   ATOM 745 HA . ASP A 37 ? -6.74931 51.28528 0.79301 1.000 21.76012 H ? A ? 36 HA 1
   ATOM 746 CB A ASP A 37 ? -6.39461 49.37392 0.39982 0.413 17.84472 C ? A ? 36 CB 1
   ATOM 747 CG A ASP A 37 ? -7.77648 49.34960 -0.40982 0.413 20.47430 C ? A ? 36 CG 1
   ATOM 748 OD1 A ASP A 37 ? -8.55544 50.28369 -0.39051 0.413 25.89010 O ? A ? 36 OD1 1
   ATOM 749 OD2 A ASP A 37 ? -8.06491 48.45796 -1.20740 0.413 21.24249 O ? A ? 36 OD2 1
   ATOM 750 HB2 A ASP A 37 ? -5.67052 49.34656 -0.24504 0.413 21.41366 H ? A ? 36 HB2 1
   ATOM 751 HB3 A ASP A 37 ? -6.36586 48.58580 0.96458 0.413 21.41366 H ? A ? 36 HB3 1
   ATOM 752 CB B ASP A 37 ? -6.18973 49.35354 0.40843 0.587 17.73751 C ? A ? 36 CB 1
   ATOM 753 CG B ASP A 37 ? -7.53968 48.54852 0.28421 0.587 15.18799 C ? A ? 36 CG 1
   ATOM 754 OD1 B ASP A 37 ? -8.45728 48.50503 0.97153 0.587 15.73302 O ? A ? 36 OD1 1
   ATOM 755 OD2 B ASP A 37 ? -7.57784 47.59716 -0.45199 0.587 42.10862 O ? A ? 36 OD2 1
   ATOM 756 HB2 B ASP A 37 ? -5.92776 49.61083 -0.48939 0.587 21.28501 H ? A ? 36 HB2 1
   ATOM 757 HB3 B ASP A 37 ? -5.53137 48.74936 0.78582 0.587 21.28501 H ? A ? 36 HB3 1
   ATOM 758 N . ALA A 38 ? -7.78774 51.35208 2.93248 1.000 16.51311 N ? A ? 37 N 1
   ATOM 759 CA . ALA A 38 ? -8.31579 51.42573 4.30140 1.000 16.56821 C ? A ? 37 CA 1
   ATOM 760 C . ALA A 38 ? -9.02857 50.16043 4.66734 1.000 17.20817 C ? A ? 37 C 1
   ATOM 761 O . ALA A 38 ? -8.83659 49.64899 5.78661 1.000 18.17163 O ? A ? 37 O 1
   ATOM 762 CB . ALA A 38 ? -9.27799 52.61185 4.43196 1.000 18.81463 C ? A ? 37 CB 1
   ATOM 763 H . ALA A 38 ? -8.11732 51.92922 2.38669 1.000 19.81573 H ? A ? 37 H 1
   ATOM 764 HA . ALA A 38 ? -7.57471 51.55911 4.91289 1.000 19.88185 H ? A ? 37 HA 1
   ATOM 765 HB1 . ALA A 38 ? -9.62835 52.63624 5.33614 1.000 22.57756 H ? A ? 37 HB1 1
   ATOM 766 HB2 . ALA A 38 ? -8.79604 53.43188 4.24173 1.000 22.57756 H ? A ? 37 HB2 1
   ATOM 767 HB3 . ALA A 38 ? -10.00426 52.50052 3.79868 1.000 22.57756 H ? A ? 37 HB3 1
   ATOM 768 N . ALA A 39 ? -9.76000 49.54229 3.76701 1.000 16.72796 N ? A ? 38 N 1
   ATOM 769 CA . ALA A 39 ? -10.46016 48.29854 4.05601 1.000 16.34208 C ? A ? 38 CA 1
   ATOM 770 C . ALA A 39 ? -9.47000 47.16856 4.25989 1.000 17.22692 C ? A ? 38 C 1
   ATOM 771 O . ALA A 39 ? -9.70138 46.33129 5.14489 1.000 18.62014 O ? A ? 38 O 1
   ATOM 772 CB . ALA A 39 ? -11.43648 47.98361 2.87241 1.000 17.91182 C ? A ? 38 CB 1
   ATOM 773 H . ALA A 39 ? -9.87462 49.82171 2.96178 1.000 20.07355 H ? A ? 38 H 1
   ATOM 774 HA . ALA A 39 ? -10.98291 48.38620 4.86838 1.000 19.61049 H ? A ? 38 HA 1
   ATOM 775 HB1 . ALA A 39 ? -11.87811 47.13719 3.04400 1.000 21.49419 H ? A ? 38 HB1 1
   ATOM 776 HB2 . ALA A 39 ? -12.09473 48.69321 2.80867 1.000 21.49419 H ? A ? 38 HB2 1
   ATOM 777 HB3 . ALA A 39 ? -10.92714 47.92993 2.04864 1.000 21.49419 H ? A ? 38 HB3 1
   ATOM 778 N . GLN A 40 ? -8.41745 47.04902 3.45445 1.000 17.82947 N ? A ? 39 N 1
   ATOM 779 CA . GLN A 40 ? -7.39842 46.00732 3.64157 1.000 16.35209 C ? A ? 39 CA 1
   ATOM 780 C . GLN A 40 ? -6.82726 46.11022 5.05180 1.000 17.05027 C ? A ? 39 C 1
   ATOM 781 O . GLN A 40 ? -6.68943 45.10287 5.75061 1.000 18.34668 O ? A ? 39 O 1
   ATOM 782 CB . GLN A 40 ? -6.27248 46.16149 2.59115 1.000 19.51960 C ? A ? 39 CB 1
   ATOM 783 CG . GLN A 40 ? -5.12004 45.20159 2.74042 1.000 21.98095 C ? A ? 39 CG 1
   ATOM 784 CD . GLN A 40 ? -3.94671 45.50311 1.81738 1.000 24.23260 C ? A ? 39 CD 1
   ATOM 785 OE1 . GLN A 40 ? -3.68292 46.68509 1.48190 1.000 25.66035 O ? A ? 39 OE1 1
   ATOM 786 NE2 . GLN A 40 ? -3.24880 44.46596 1.35848 1.000 25.12397 N ? A ? 39 NE2 1
   ATOM 787 H . GLN A 40 ? -8.26300 47.56232 2.78194 1.000 21.39536 H ? A ? 39 H 1
   ATOM 788 HA . GLN A 40 ? -7.79730 45.13233 3.51433 1.000 19.62251 H ? A ? 39 HA 1
   ATOM 789 HB2 . GLN A 40 ? -6.65412 46.02172 1.71041 1.000 23.42352 H ? A ? 39 HB2 1
   ATOM 790 HB3 . GLN A 40 ? -5.91230 47.05966 2.65792 1.000 23.42352 H ? A ? 39 HB3 1
   ATOM 791 HG2 . GLN A 40 ? -4.79586 45.24255 3.65372 1.000 26.37714 H ? A ? 39 HG2 1
   ATOM 792 HG3 . GLN A 40 ? -5.43200 44.30548 2.53899 1.000 26.37714 H ? A ? 39 HG3 1
   ATOM 793 HE21 . GLN A 40 ? -3.46772 43.66596 1.58581 1.000 30.14876 H ? A ? 39 HE21 1
   ATOM 794 HE22 . GLN A 40 ? -2.57918 44.59616 0.83480 1.000 30.14876 H ? A ? 39 HE22 1
   ATOM 795 N A ILE A 41 ? -6.49350 47.31556 5.46658 0.565 17.90772 N ? A ? 40 N 1
   ATOM 796 CA A ILE A 41 ? -5.89612 47.48367 6.79245 0.565 16.83504 C ? A ? 40 CA 1
   ATOM 797 C A ILE A 41 ? -6.94323 47.24568 7.87932 0.565 15.24416 C ? A ? 40 C 1
   ATOM 798 O A ILE A 41 ? -6.68445 46.55619 8.87437 0.565 14.81348 O ? A ? 40 O 1
   ATOM 799 CB A ILE A 41 ? -5.28273 48.88429 6.87905 0.565 15.26095 C ? A ? 40 CB 1
   ATOM 800 CG1 A ILE A 41 ? -4.06291 49.02392 5.97784 0.565 15.29689 C ? A ? 40 CG1 1
   ATOM 801 CG2 A ILE A 41 ? -4.80000 49.21955 8.25512 0.565 16.52957 C ? A ? 40 CG2 1
   ATOM 802 CD1 A ILE A 41 ? -2.86954 48.07637 6.14883 0.565 17.56647 C ? A ? 40 CD1 1
   ATOM 803 H A ILE A 41 ? -6.59619 48.04160 5.01722 0.565 21.48926 H ? A ? 40 H 1
   ATOM 804 HA A ILE A 41 ? -5.19347 46.82805 6.92417 0.565 20.20205 H ? A ? 40 HA 1
   ATOM 805 HB A ILE A 41 ? -6.00186 49.47631 6.60839 0.565 18.31314 H ? A ? 40 HB 1
   ATOM 806 HG12 A ILE A 41 ? -4.36682 48.91099 5.06363 0.565 18.35627 H ? A ? 40 HG12 1
   ATOM 807 HG13 A ILE A 41 ? -3.71430 49.92038 6.10323 0.565 18.35627 H ? A ? 40 HG13 1
   ATOM 808 HG21 A ILE A 41 ? -4.18553 49.96812 8.20059 0.565 19.83549 H ? A ? 40 HG21 1
   ATOM 809 HG22 A ILE A 41 ? -5.56118 49.45601 8.80793 0.565 19.83549 H ? A ? 40 HG22 1
   ATOM 810 HG23 A ILE A 41 ? -4.34765 48.44678 8.62811 0.565 19.83549 H ? A ? 40 HG23 1
   ATOM 811 HD11 A ILE A 41 ? -2.14096 48.38131 5.58572 0.565 21.07977 H ? A ? 40 HD11 1
   ATOM 812 HD12 A ILE A 41 ? -2.59326 48.08107 7.07864 0.565 21.07977 H ? A ? 40 HD12 1
   ATOM 813 HD13 A ILE A 41 ? -3.13706 47.18129 5.88776 0.565 21.07977 H ? A ? 40 HD13 1
   ATOM 814 N B ILE A 41 ? -6.41671 47.31517 5.41428 0.435 17.89044 N ? A ? 40 N 1
   ATOM 815 CA B ILE A 41 ? -5.70732 47.47356 6.67722 0.435 16.15583 C ? A ? 40 CA 1
   ATOM 816 C B ILE A 41 ? -6.65910 47.24836 7.84253 0.435 15.06368 C ? A ? 40 C 1
   ATOM 817 O B ILE A 41 ? -6.24998 46.69183 8.87396 0.435 13.51118 O ? A ? 40 O 1
   ATOM 818 CB B ILE A 41 ? -5.05304 48.85990 6.74557 0.435 15.25681 C ? A ? 40 CB 1
   ATOM 819 CG1 B ILE A 41 ? -3.77844 48.89002 5.91704 0.435 14.14806 C ? A ? 40 CG1 1
   ATOM 820 CG2 B ILE A 41 ? -4.73621 49.25721 8.17750 0.435 16.42213 C ? A ? 40 CG2 1
   ATOM 821 CD1 B ILE A 41 ? -2.64796 47.94996 6.27079 0.435 17.45134 C ? A ? 40 CD1 1
   ATOM 822 H B ILE A 41 ? -6.53127 48.03800 4.96263 0.435 21.46853 H ? A ? 40 H 1
   ATOM 823 HA B ILE A 41 ? -5.00225 46.80936 6.72833 0.435 19.38700 H ? A ? 40 HA 1
   ATOM 824 HB B ILE A 41 ? -5.69015 49.49490 6.38257 0.435 18.30817 H ? A ? 40 HB 1
   ATOM 825 HG12 B ILE A 41 ? -4.02290 48.68965 4.99998 0.435 16.97767 H ? A ? 40 HG12 1
   ATOM 826 HG13 B ILE A 41 ? -3.41506 49.78752 5.97498 0.435 16.97767 H ? A ? 40 HG13 1
   ATOM 827 HG21 B ILE A 41 ? -4.08342 49.97463 8.16910 0.435 19.70656 H ? A ? 40 HG21 1
   ATOM 828 HG22 B ILE A 41 ? -5.55126 49.55666 8.60984 0.435 19.70656 H ? A ? 40 HG22 1
   ATOM 829 HG23 B ILE A 41 ? -4.37640 48.48807 8.64639 0.435 19.70656 H ? A ? 40 HG23 1
   ATOM 830 HD11 B ILE A 41 ? -1.84466 48.23335 5.80679 0.435 20.94161 H ? A ? 40 HD11 1
   ATOM 831 HD12 B ILE A 41 ? -2.50311 47.97694 7.22954 0.435 20.94161 H ? A ? 40 HD12 1
   ATOM 832 HD13 B ILE A 41 ? -2.88788 47.05066 5.99768 0.435 20.94161 H ? A ? 40 HD13 1
   ATOM 833 N A LYS A 42 ? -8.15541 47.74927 7.72417 0.565 15.48972 N ? A ? 41 N 1
   ATOM 834 CA A LYS A 42 ? -9.18587 47.51094 8.72661 0.565 16.06508 C ? A ? 41 CA 1
   ATOM 835 C A LYS A 42 ? -9.37038 46.01982 8.99482 0.565 14.97350 C ? A ? 41 C 1
   ATOM 836 O A LYS A 42 ? -9.44011 45.56857 10.16124 0.565 16.04555 O ? A ? 41 O 1
   ATOM 837 CB A LYS A 42 ? -10.51292 48.15189 8.33152 0.565 17.21038 C ? A ? 41 CB 1
   ATOM 838 CG A LYS A 42 ? -11.63632 47.91878 9.30086 0.565 17.20796 C ? A ? 41 CG 1
   ATOM 839 CD A LYS A 42 ? -12.88180 48.66588 8.86324 0.565 18.62433 C ? A ? 41 CD 1
   ATOM 840 CE A LYS A 42 ? -14.02021 48.37221 9.81946 0.565 23.92117 C ? A ? 41 CE 1
   ATOM 841 NZ A LYS A 42 ? -15.29864 48.86296 9.29097 0.565 29.95428 N ? A ? 41 NZ 1
   ATOM 842 H A LYS A 42 ? -8.40824 48.22790 7.05589 0.565 18.58766 H ? A ? 41 H 1
   ATOM 843 HA A LYS A 42 ? -8.89604 47.93800 9.54790 0.565 19.27810 H ? A ? 41 HA 1
   ATOM 844 HB2 A LYS A 42 ? -10.38289 49.11049 8.26027 0.565 20.65245 H ? A ? 41 HB2 1
   ATOM 845 HB3 A LYS A 42 ? -10.78689 47.78964 7.47442 0.565 20.65245 H ? A ? 41 HB3 1
   ATOM 846 HG2 A LYS A 42 ? -11.84171 46.97151 9.33832 0.565 20.64955 H ? A ? 41 HG2 1
   ATOM 847 HG3 A LYS A 42 ? -11.37815 48.23728 10.17995 0.565 20.64955 H ? A ? 41 HG3 1
   ATOM 848 HD2 A LYS A 42 ? -12.70959 49.62046 8.86722 0.565 22.34919 H ? A ? 41 HD2 1
   ATOM 849 HD3 A LYS A 42 ? -13.14017 48.37908 7.97336 0.565 22.34919 H ? A ? 41 HD3 1
   ATOM 850 HE2 A LYS A 42 ? -14.09109 47.41382 9.95122 0.565 28.70541 H ? A ? 41 HE2 1
   ATOM 851 HE3 A LYS A 42 ? -13.85037 48.81198 10.66720 0.565 28.70541 H ? A ? 41 HE3 1
   ATOM 852 HZ1 A LYS A 42 ? -15.64419 49.46872 9.84391 0.565 35.94514 H ? A ? 41 HZ1 1
   ATOM 853 HZ2 A LYS A 42 ? -15.17457 49.23755 8.49323 0.565 35.94514 H ? A ? 41 HZ2 1
   ATOM 854 HZ3 A LYS A 42 ? -15.87254 48.18791 9.20697 0.565 35.94514 H ? A ? 41 HZ3 1
   ATOM 855 N B LYS A 42 ? -7.93158 47.65015 7.72316 0.435 15.10491 N ? A ? 41 N 1
   ATOM 856 CA B LYS A 42 ? -8.94471 47.33903 8.73076 0.435 16.78030 C ? A ? 41 CA 1
   ATOM 857 C B LYS A 42 ? -9.01994 45.83601 8.97323 0.435 15.85585 C ? A ? 41 C 1
   ATOM 858 O B LYS A 42 ? -8.97888 45.38532 10.12773 0.435 14.83776 O ? A ? 41 O 1
   ATOM 859 CB B LYS A 42 ? -10.32111 47.90587 8.38240 0.435 16.35193 C ? A ? 41 CB 1
   ATOM 860 CG B LYS A 42 ? -11.47715 47.53428 9.35035 0.435 17.96015 C ? A ? 41 CG 1
   ATOM 861 CD B LYS A 42 ? -12.77505 48.27235 8.99543 0.435 21.63159 C ? A ? 41 CD 1
   ATOM 862 CE B LYS A 42 ? -13.88313 47.88187 9.96671 0.435 26.02713 C ? A ? 41 CE 1
   ATOM 863 NZ B LYS A 42 ? -15.15512 48.53127 9.64807 0.435 28.33610 N ? A ? 41 NZ 1
   ATOM 864 H B LYS A 42 ? -8.23413 48.10827 7.06121 0.435 18.12589 H ? A ? 41 H 1
   ATOM 865 HA B LYS A 42 ? -8.67951 47.78235 9.55176 0.435 20.13636 H ? A ? 41 HA 1
   ATOM 866 HB2 B LYS A 42 ? -10.25627 48.87364 8.37221 0.435 19.62231 H ? A ? 41 HB2 1
   ATOM 867 HB3 B LYS A 42 ? -10.56869 47.58067 7.50271 0.435 19.62231 H ? A ? 41 HB3 1
   ATOM 868 HG2 B LYS A 42 ? -11.64565 46.58052 9.29699 0.435 21.55218 H ? A ? 41 HG2 1
   ATOM 869 HG3 B LYS A 42 ? -11.22747 47.77692 10.25572 0.435 21.55218 H ? A ? 41 HG3 1
   ATOM 870 HD2 B LYS A 42 ? -12.63287 49.23001 9.05520 0.435 25.95791 H ? A ? 41 HD2 1
   ATOM 871 HD3 B LYS A 42 ? -13.05126 48.03341 8.09681 0.435 25.95791 H ? A ? 41 HD3 1
   ATOM 872 HE2 B LYS A 42 ? -14.01648 46.92187 9.92781 0.435 31.23256 H ? A ? 41 HE2 1
   ATOM 873 HE3 B LYS A 42 ? -13.62660 48.14507 10.86438 0.435 31.23256 H ? A ? 41 HE3 1
   ATOM 874 HZ1 B LYS A 42 ? -15.17291 49.35153 9.99296 0.435 34.00332 H ? A ? 41 HZ1 1
   ATOM 875 HZ2 B LYS A 42 ? -15.25589 48.58676 8.76554 0.435 34.00332 H ? A ? 41 HZ2 1
   ATOM 876 HZ3 B LYS A 42 ? -15.83037 48.06078 9.98687 0.435 34.00332 H ? A ? 41 HZ3 1
   ATOM 877 N A ALA A 43 ? -9.46678 45.23277 7.93428 0.565 16.15561 N ? A ? 42 N 1
   ATOM 878 CA A ALA A 43 ? -9.59915 43.79271 8.07436 0.565 17.07814 C ? A ? 42 CA 1
   ATOM 879 C A ALA A 43 ? -8.35739 43.16981 8.66250 0.565 16.92732 C ? A ? 42 C 1
   ATOM 880 O A ALA A 43 ? -8.47553 42.27163 9.49765 0.565 16.37618 O ? A ? 42 O 1
   ATOM 881 CB A ALA A 43 ? -9.93751 43.16669 6.71198 0.565 17.17429 C ? A ? 42 CB 1
   ATOM 882 H A ALA A 43 ? -9.45821 45.50748 7.11939 0.565 19.38674 H ? A ? 42 H 1
   ATOM 883 HA A ALA A 43 ? -10.33067 43.60474 8.68300 0.565 20.49377 H ? A ? 42 HA 1
   ATOM 884 HB1 A ALA A 43 ? -10.03486 42.20771 6.82053 0.565 20.60914 H ? A ? 42 HB1 1
   ATOM 885 HB2 A ALA A 43 ? -10.76754 43.54866 6.38632 0.565 20.60914 H ? A ? 42 HB2 1
   ATOM 886 HB3 A ALA A 43 ? -9.21870 43.35782 6.08934 0.565 20.60914 H ? A ? 42 HB3 1
   ATOM 887 N B ALA A 43 ? -9.17542 45.04570 7.92019 0.435 16.54565 N ? A ? 42 N 1
   ATOM 888 CA B ALA A 43 ? -9.29553 43.60379 8.07802 0.435 17.06980 C ? A ? 42 CA 1
   ATOM 889 C B ALA A 43 ? -8.04368 43.03188 8.70285 0.435 17.06174 C ? A ? 42 C 1
   ATOM 890 O B ALA A 43 ? -8.12126 42.13505 9.54366 0.435 17.31440 O ? A ? 42 O 1
   ATOM 891 CB B ALA A 43 ? -9.59505 42.94956 6.71992 0.435 17.24152 C ? A ? 42 CB 1
   ATOM 892 H B ALA A 43 ? -9.21460 45.31716 7.10509 0.435 19.85478 H ? A ? 42 H 1
   ATOM 893 HA B ALA A 43 ? -10.04056 43.40142 8.66528 0.435 20.48376 H ? A ? 42 HA 1
   ATOM 894 HB1 B ALA A 43 ? -9.64099 41.98763 6.83606 0.435 20.68982 H ? A ? 42 HB1 1
   ATOM 895 HB2 B ALA A 43 ? -10.44333 43.28363 6.38869 0.435 20.68982 H ? A ? 42 HB2 1
   ATOM 896 HB3 B ALA A 43 ? -8.88547 43.17412 6.09786 0.435 20.68982 H ? A ? 42 HB3 1
   ATOM 897 N A ASN A 44 ? -7.17244 43.58540 8.21829 0.565 16.54494 N ? A ? 43 N 1
   ATOM 898 CA A ASN A 44 ? -5.93687 43.03704 8.78457 0.565 16.48845 C ? A ? 43 CA 1
   ATOM 899 C A ASN A 44 ? -5.86902 43.28912 10.29689 0.565 14.83719 C ? A ? 43 C 1
   ATOM 900 O A ASN A 44 ? -5.56201 42.38232 11.10241 0.565 14.61583 O ? A ? 43 O 1
   ATOM 901 CB A ASN A 44 ? -4.69545 43.64881 8.16158 0.565 16.47695 C ? A ? 43 CB 1
   ATOM 902 CG A ASN A 44 ? -3.41446 42.95468 8.68072 0.565 16.85723 C ? A ? 43 CG 1
   ATOM 903 OD1 A ASN A 44 ? -3.30138 41.73821 8.51051 0.565 16.74056 O ? A ? 43 OD1 1
   ATOM 904 ND2 A ASN A 44 ? -2.47743 43.70617 9.27704 0.565 16.34308 N ? A ? 43 ND2 1
   ATOM 905 H A ASN A 44 ? -7.05549 44.17298 7.60130 0.565 19.85392 H ? A ? 43 H 1
   ATOM 906 HA A ASN A 44 ? -5.94532 42.08717 8.58814 0.565 19.78614 H ? A ? 43 HA 1
   ATOM 907 HB2 A ASN A 44 ? -4.73275 43.54391 7.19799 0.565 19.77235 H ? A ? 43 HB2 1
   ATOM 908 HB3 A ASN A 44 ? -4.64946 44.59009 8.39130 0.565 19.77235 H ? A ? 43 HB3 1
   ATOM 909 HD21 A ASN A 44 ? -1.75740 43.34077 9.57310 0.565 19.61170 H ? A ? 43 HD21 1
   ATOM 910 HD22 A ASN A 44 ? -2.59653 44.55349 9.36340 0.565 19.61170 H ? A ? 43 HD22 1
   ATOM 911 N B ASN A 44 ? -6.87694 43.51666 8.30497 0.435 17.56154 N ? A ? 43 N 1
   ATOM 912 CA B ASN A 44 ? -5.65344 42.96594 8.85678 0.435 16.70705 C ? A ? 43 CA 1
   ATOM 913 C B ASN A 44 ? -5.48693 43.31172 10.33553 0.435 15.96668 C ? A ? 43 C 1
   ATOM 914 O B ASN A 44 ? -4.97150 42.49334 11.11797 0.435 13.31538 O ? A ? 43 O 1
   ATOM 915 CB B ASN A 44 ? -4.43084 43.44379 8.09160 0.435 16.66181 C ? A ? 43 CB 1
   ATOM 916 CG B ASN A 44 ? -3.15380 42.80560 8.63904 0.435 14.99183 C ? A ? 43 CG 1
   ATOM 917 OD1 B ASN A 44 ? -2.91348 41.63162 8.40774 0.435 16.19147 O ? A ? 43 OD1 1
   ATOM 918 ND2 B ASN A 44 ? -2.34174 43.58000 9.32158 0.435 16.40027 N ? A ? 43 ND2 1
   ATOM 919 H B ASN A 44 ? -6.76954 44.14826 7.73126 0.435 21.07385 H ? A ? 43 H 1
   ATOM 920 HA B ASN A 44 ? -5.71297 42.00244 8.76181 0.435 20.04846 H ? A ? 43 HA 1
   ATOM 921 HB2 B ASN A 44 ? -4.51965 43.19949 7.15708 0.435 19.99417 H ? A ? 43 HB2 1
   ATOM 922 HB3 B ASN A 44 ? -4.35338 44.40693 8.17681 0.435 19.99417 H ? A ? 43 HB3 1
   ATOM 923 HD21 B ASN A 44 ? -1.61296 43.25892 9.64621 0.435 19.68032 H ? A ? 43 HD21 1
   ATOM 924 HD22 B ASN A 44 ? -2.53879 44.40814 9.44387 0.435 19.68032 H ? A ? 43 HD22 1
   ATOM 925 N A VAL A 45 ? -6.18644 44.49854 10.70869 0.565 15.88038 N ? A ? 44 N 1
   ATOM 926 CA A VAL A 45 ? -6.12163 44.81522 12.13162 0.565 15.82557 C ? A ? 44 CA 1
   ATOM 927 C A VAL A 45 ? -7.15452 44.02510 12.90600 0.565 14.82851 C ? A ? 44 C 1
   ATOM 928 O A VAL A 45 ? -6.94081 43.69737 14.07558 0.565 14.82747 O ? A ? 44 O 1
   ATOM 929 CB A VAL A 45 ? -6.19976 46.33441 12.36093 0.565 14.62663 C ? A ? 44 CB 1
   ATOM 930 CG1 A VAL A 45 ? -6.29559 46.63933 13.82046 0.565 15.78021 C ? A ? 44 CG1 1
   ATOM 931 CG2 A VAL A 45 ? -4.98636 46.97965 11.73118 0.565 15.77374 C ? A ? 44 CG2 1
   ATOM 932 H A VAL A 45 ? -6.43818 45.14588 10.20155 0.565 19.05645 H ? A ? 44 H 1
   ATOM 933 HA A VAL A 45 ? -5.25646 44.54083 12.47382 0.565 18.99068 H ? A ? 44 HA 1
   ATOM 934 HB A VAL A 45 ? -6.99667 46.70111 11.94697 0.565 17.55195 H ? A ? 44 HB 1
   ATOM 935 HG11 A VAL A 45 ? -6.11837 47.58299 13.95824 0.565 18.93625 H ? A ? 44 HG11 1
   ATOM 936 HG12 A VAL A 45 ? -7.18856 46.42174 14.13057 0.565 18.93625 H ? A ? 44 HG12 1
   ATOM 937 HG13 A VAL A 45 ? -5.64061 46.10658 14.29805 0.565 18.93625 H ? A ? 44 HG13 1
   ATOM 938 HG21 A VAL A 45 ? -5.01498 47.93498 11.89678 0.565 18.92849 H ? A ? 44 HG21 1
   ATOM 939 HG22 A VAL A 45 ? -4.18595 46.59938 12.12571 0.565 18.92849 H ? A ? 44 HG22 1
   ATOM 940 HG23 A VAL A 45 ? -4.99768 46.80895 10.77639 0.565 18.92849 H ? A ? 44 HG23 1
   ATOM 941 N B VAL A 45 ? -5.83326 44.52638 10.72453 0.435 15.43209 N ? A ? 44 N 1
   ATOM 942 CA B VAL A 45 ? -5.71254 44.90068 12.12464 0.435 16.14218 C ? A ? 44 CA 1
   ATOM 943 C B VAL A 45 ? -6.69683 44.11020 12.96028 0.435 15.00248 C ? A ? 44 C 1
   ATOM 944 O B VAL A 45 ? -6.41474 43.78892 14.13175 0.435 15.92990 O ? A ? 44 O 1
   ATOM 945 CB B VAL A 45 ? -5.82111 46.42492 12.32663 0.435 13.24582 C ? A ? 44 CB 1
   ATOM 946 CG1 B VAL A 45 ? -5.90275 46.78350 13.80426 0.435 14.71075 C ? A ? 44 CG1 1
   ATOM 947 CG2 B VAL A 45 ? -4.62447 47.08791 11.68852 0.435 15.65930 C ? A ? 44 CG2 1
   ATOM 948 H B VAL A 45 ? -6.13621 45.14416 10.20862 0.435 18.51851 H ? A ? 44 H 1
   ATOM 949 HA B VAL A 45 ? -4.82046 44.66989 12.42766 0.435 19.37062 H ? A ? 44 HA 1
   ATOM 950 HB B VAL A 45 ? -6.63501 46.74739 11.90892 0.435 15.89499 H ? A ? 44 HB 1
   ATOM 951 HG11 B VAL A 45 ? -5.78817 47.74158 13.90353 0.435 17.65290 H ? A ? 44 HG11 1
   ATOM 952 HG12 B VAL A 45 ? -6.77035 46.51690 14.14646 0.435 17.65290 H ? A ? 44 HG12 1
   ATOM 953 HG13 B VAL A 45 ? -5.20052 46.31511 14.28216 0.435 17.65290 H ? A ? 44 HG13 1
   ATOM 954 HG21 B VAL A 45 ? -4.69517 48.04811 11.80650 0.435 18.79116 H ? A ? 44 HG21 1
   ATOM 955 HG22 B VAL A 45 ? -3.81721 46.76075 12.11537 0.435 18.79116 H ? A ? 44 HG22 1
   ATOM 956 HG23 B VAL A 45 ? -4.60999 46.87097 10.74320 0.435 18.79116 H ? A ? 44 HG23 1
   ATOM 957 N A GLU A 46 ? -8.29186 43.70385 12.34909 0.565 16.15784 N ? A ? 45 N 1
   ATOM 958 CA A GLU A 46 ? -9.19811 42.80256 13.02857 0.565 16.66287 C ? A ? 45 CA 1
   ATOM 959 C A GLU A 46 ? -8.54787 41.45900 13.28468 0.565 17.57909 C ? A ? 45 C 1
   ATOM 960 O A GLU A 46 ? -8.80513 40.87756 14.36120 0.565 15.75110 O ? A ? 45 O 1
   ATOM 961 CB A GLU A 46 ? -10.44748 42.69584 12.16151 0.565 17.25549 C ? A ? 45 CB 1
   ATOM 962 CG A GLU A 46 ? -11.33430 43.87393 12.29162 0.565 15.76938 C ? A ? 45 CG 1
   ATOM 963 CD A GLU A 46 ? -12.31701 43.95613 11.10565 0.565 24.41131 C ? A ? 45 CD 1
   ATOM 964 OE1 A GLU A 46 ? -12.36030 43.00882 10.30522 0.565 31.75459 O ? A ? 45 OE1 1
   ATOM 965 OE2 A GLU A 46 ? -13.11237 44.90257 11.05875 0.565 28.38160 O ? A ? 45 OE2 1
   ATOM 966 H A GLU A 46 ? -8.56706 43.98753 11.58529 0.565 19.38941 H ? A ? 45 H 1
   ATOM 967 HA A GLU A 46 ? -9.45056 43.13895 13.90265 0.565 19.99544 H ? A ? 45 HA 1
   ATOM 968 HB2 A GLU A 46 ? -10.18142 42.62084 11.23173 0.565 20.70659 H ? A ? 45 HB2 1
   ATOM 969 HB3 A GLU A 46 ? -10.95031 41.91002 12.42712 0.565 20.70659 H ? A ? 45 HB3 1
   ATOM 970 HG2 A GLU A 46 ? -11.84709 43.80349 13.11197 0.565 18.92325 H ? A ? 45 HG2 1
   ATOM 971 HG3 A GLU A 46 ? -10.79826 44.68227 12.30381 0.565 18.92325 H ? A ? 45 HG3 1
   ATOM 972 N B GLU A 46 ? -7.88501 43.81815 12.42897 0.435 14.22089 N ? A ? 45 N 1
   ATOM 973 CA B GLU A 46 ? -8.85572 42.96107 13.10098 0.435 15.70145 C ? A ? 45 CA 1
   ATOM 974 C B GLU A 46 ? -8.25606 41.59453 13.37453 0.435 16.98180 C ? A ? 45 C 1
   ATOM 975 O B GLU A 46 ? -8.31596 41.09727 14.51152 0.435 16.25482 O ? A ? 45 O 1
   ATOM 976 CB B GLU A 46 ? -10.14134 42.84652 12.25253 0.435 19.12234 C ? A ? 45 CB 1
   ATOM 977 CG B GLU A 46 ? -11.25907 42.05288 12.98108 0.435 22.51268 C ? A ? 45 CG 1
   ATOM 978 CD B GLU A 46 ? -12.43456 42.92769 13.40232 0.435 39.74889 C ? A ? 45 CD 1
   ATOM 979 OE1 B GLU A 46 ? -12.80985 43.85007 12.63419 0.435 47.01918 O ? A ? 45 OE1 1
   ATOM 980 OE2 B GLU A 46 ? -12.96630 42.67881 14.49158 0.435 43.92927 O ? A ? 45 OE2 1
   ATOM 981 H B GLU A 46 ? -8.15720 44.10933 11.66692 0.435 17.06507 H ? A ? 45 H 1
   ATOM 982 HA B GLU A 46 ? -9.10256 43.35967 13.95015 0.435 18.84174 H ? A ? 45 HA 1
   ATOM 983 HB2 B GLU A 46 ? -10.47698 43.73666 12.06305 0.435 22.94681 H ? A ? 45 HB2 1
   ATOM 984 HB3 B GLU A 46 ? -9.93488 42.38646 11.42390 0.435 22.94681 H ? A ? 45 HB3 1
   ATOM 985 HG2 B GLU A 46 ? -11.59655 41.36548 12.38570 0.435 27.01522 H ? A ? 45 HG2 1
   ATOM 986 HG3 B GLU A 46 ? -10.88759 41.64681 13.77984 0.435 27.01522 H ? A ? 45 HG3 1
   ATOM 987 N . VAL A 47 ? -7.70540 40.95199 12.36268 1.000 17.29482 N ? A ? 46 N 1
   ATOM 988 CA . VAL A 47 ? -6.96913 39.70323 12.59554 1.000 17.72288 C ? A ? 46 CA 1
   ATOM 989 C . VAL A 47 ? -5.93957 39.87876 13.67741 1.000 15.96414 C ? A ? 46 C 1
   ATOM 990 O . VAL A 47 ? -5.87721 39.07526 14.66872 1.000 16.79082 O ? A ? 46 O 1
   ATOM 991 CB . VAL A 47 ? -6.29326 39.21303 11.29451 1.000 17.02615 C ? A ? 46 CB 1
   ATOM 992 CG1 . VAL A 47 ? -5.45294 38.00903 11.66952 1.000 18.38901 C ? A ? 46 CG1 1
   ATOM 993 CG2 . VAL A 47 ? -7.38191 38.82707 10.25048 1.000 17.75109 C ? A ? 46 CG2 1
   ATOM 994 HA . VAL A 47 ? -7.61269 39.03780 12.88525 1.000 21.26746 H ? A ? 46 HA 1
   ATOM 995 HB . VAL A 47 ? -5.73829 39.89920 10.89193 1.000 20.43138 H ? A ? 46 HB 1
   ATOM 996 HG11 . VAL A 47 ? -5.26524 37.49342 10.86964 1.000 22.06681 H ? A ? 46 HG11 1
   ATOM 997 HG12 . VAL A 47 ? -4.62323 38.31483 12.06823 1.000 22.06681 H ? A ? 46 HG12 1
   ATOM 998 HG13 . VAL A 47 ? -5.94499 37.46611 12.30516 1.000 22.06681 H ? A ? 46 HG13 1
   ATOM 999 HG21 . VAL A 47 ? -6.94716 38.50976 9.44350 1.000 21.30131 H ? A ? 46 HG21 1
   ATOM 1000 HG22 . VAL A 47 ? -7.94152 38.12717 10.62180 1.000 21.30131 H ? A ? 46 HG22 1
   ATOM 1001 HG23 . VAL A 47 ? -7.91947 39.60942 10.05085 1.000 21.30131 H ? A ? 46 HG23 1
   ATOM 1002 H A VAL A 47 ? -7.54596 41.31327 11.59870 0.565 20.75378 H ? A ? 46 H 1
   ATOM 1003 H B VAL A 47 ? -7.73696 41.20487 11.54130 0.435 20.75378 H ? A ? 46 H 1
   ATOM 1004 N . LEU A 48 ? -5.16672 40.94221 13.63460 1.000 15.84506 N ? A ? 47 N 1
   ATOM 1005 CA . LEU A 48 ? -4.14798 41.21470 14.63849 1.000 17.06137 C ? A ? 47 CA 1
   ATOM 1006 C . LEU A 48 ? -4.79053 41.34934 16.03519 1.000 16.84471 C ? A ? 47 C 1
   ATOM 1007 O . LEU A 48 ? -4.20014 40.89954 17.05765 1.000 17.98638 O ? A ? 47 O 1
   ATOM 1008 CB . LEU A 48 ? -3.39527 42.44697 14.29124 1.000 16.63587 C ? A ? 47 CB 1
   ATOM 1009 CG . LEU A 48 ? -2.25410 42.84032 15.22048 1.000 15.79594 C ? A ? 47 CG 1
   ATOM 1010 CD1 . LEU A 48 ? -1.25328 41.78754 15.38888 1.000 16.10853 C ? A ? 47 CD1 1
   ATOM 1011 CD2 . LEU A 48 ? -1.62652 44.15067 14.73056 1.000 19.06086 C ? A ? 47 CD2 1
   ATOM 1012 H . LEU A 48 ? -5.20734 41.54283 13.02043 1.000 19.01407 H ? A ? 47 H 1
   ATOM 1013 HA . LEU A 48 ? -3.51503 40.47987 14.65577 1.000 20.47365 H ? A ? 47 HA 1
   ATOM 1014 HB2 . LEU A 48 ? -3.01280 42.32503 13.40821 1.000 19.96305 H ? A ? 47 HB2 1
   ATOM 1015 HB3 . LEU A 48 ? -4.02168 43.18754 14.28208 1.000 19.96305 H ? A ? 47 HB3 1
   ATOM 1016 HG . LEU A 48 ? -2.61888 42.97692 16.10883 1.000 18.95513 H ? A ? 47 HG 1
   ATOM 1017 HD11 . LEU A 48 ? -0.54930 42.11145 15.97232 1.000 19.33024 H ? A ? 47 HD11 1
   ATOM 1018 HD12 . LEU A 48 ? -1.67714 41.00894 15.78263 1.000 19.33024 H ? A ? 47 HD12 1
   ATOM 1019 HD13 . LEU A 48 ? -0.88499 41.56014 14.52081 1.000 19.33024 H ? A ? 47 HD13 1
   ATOM 1020 HD21 . LEU A 48 ? -0.99140 44.46385 15.39346 1.000 22.87303 H ? A ? 47 HD21 1
   ATOM 1021 HD22 . LEU A 48 ? -1.17290 43.98819 13.88870 1.000 22.87303 H ? A ? 47 HD22 1
   ATOM 1022 HD23 . LEU A 48 ? -2.32747 44.80964 14.60680 1.000 22.87303 H ? A ? 47 HD23 1
   ATOM 1023 N A LYS A 49 ? -5.98239 41.91339 16.11701 0.317 14.94197 N ? A ? 48 N 1
   ATOM 1024 CA A LYS A 49 ? -6.67270 42.05782 17.39478 0.317 17.63017 C ? A ? 48 CA 1
   ATOM 1025 C A LYS A 49 ? -6.99562 40.70053 17.98550 0.317 16.90818 C ? A ? 48 C 1
   ATOM 1026 O A LYS A 49 ? -6.81880 40.47030 19.19535 0.317 17.16893 O ? A ? 48 O 1
   ATOM 1027 CB A LYS A 49 ? -7.92847 42.88712 17.21063 0.317 16.35867 C ? A ? 48 CB 1
   ATOM 1028 CG A LYS A 49 ? -8.74965 43.01999 18.50325 0.317 20.61314 C ? A ? 48 CG 1
   ATOM 1029 CD A LYS A 49 ? -10.04282 43.77616 18.24102 0.317 22.63508 C ? A ? 48 CD 1
   ATOM 1030 CE A LYS A 49 ? -10.78757 44.06886 19.56532 0.317 28.63073 C ? A ? 48 CE 1
   ATOM 1031 NZ A LYS A 49 ? -11.14957 42.80496 20.30361 0.317 24.89441 N ? A ? 48 NZ 1
   ATOM 1032 H A LYS A 49 ? -6.42094 42.22480 15.44596 0.317 17.93037 H ? A ? 48 H 1
   ATOM 1033 HA A LYS A 49 ? -6.09768 42.52683 18.01949 0.317 21.15620 H ? A ? 48 HA 1
   ATOM 1034 HB2 A LYS A 49 ? -7.67826 43.77841 16.92100 0.317 19.63040 H ? A ? 48 HB2 1
   ATOM 1035 HB3 A LYS A 49 ? -8.48932 42.46580 16.54067 0.317 19.63040 H ? A ? 48 HB3 1
   ATOM 1036 HG2 A LYS A 49 ? -8.97103 42.13743 18.83938 0.317 24.73577 H ? A ? 48 HG2 1
   ATOM 1037 HG3 A LYS A 49 ? -8.23577 43.50797 19.16560 0.317 24.73577 H ? A ? 48 HG3 1
   ATOM 1038 HD2 A LYS A 49 ? -9.84205 44.62054 17.80787 0.317 27.16210 H ? A ? 48 HD2 1
   ATOM 1039 HD3 A LYS A 49 ? -10.62114 43.24191 17.67444 0.317 27.16210 H ? A ? 48 HD3 1
   ATOM 1040 HE2 A LYS A 49 ? -10.21735 44.60252 20.14061 0.317 34.35687 H ? A ? 48 HE2 1
   ATOM 1041 HE3 A LYS A 49 ? -11.60661 44.55074 19.37076 0.317 34.35687 H ? A ? 48 HE3 1
   ATOM 1042 HZ1 A LYS A 49 ? -11.99190 42.84896 20.58760 0.317 29.87329 H ? A ? 48 HZ1 1
   ATOM 1043 HZ2 A LYS A 49 ? -11.06285 42.10210 19.76456 0.317 29.87329 H ? A ? 48 HZ2 1
   ATOM 1044 HZ3 A LYS A 49 ? -10.61322 42.69835 21.00579 0.317 29.87329 H ? A ? 48 HZ3 1
   ATOM 1045 N B LYS A 49 ? -5.92783 41.99136 16.13590 0.683 14.78965 N ? A ? 48 N 1
   ATOM 1046 CA B LYS A 49 ? -6.63379 42.12595 17.40848 0.683 17.70396 C ? A ? 48 CA 1
   ATOM 1047 C B LYS A 49 ? -6.92040 40.77465 17.99610 0.683 16.75812 C ? A ? 48 C 1
   ATOM 1048 O B LYS A 49 ? -6.64080 40.52030 19.18831 0.683 17.14826 O ? A ? 48 O 1
   ATOM 1049 CB B LYS A 49 ? -7.87847 42.94985 17.21092 0.683 16.15116 C ? A ? 48 CB 1
   ATOM 1050 CG B LYS A 49 ? -8.75012 43.01931 18.50230 0.683 20.74893 C ? A ? 48 CG 1
   ATOM 1051 CD B LYS A 49 ? -10.06498 43.73757 18.21603 0.683 22.57648 C ? A ? 48 CD 1
   ATOM 1052 CE B LYS A 49 ? -10.98925 43.72236 19.49100 0.683 29.03203 C ? A ? 48 CE 1
   ATOM 1053 NZ B LYS A 49 ? -12.39401 44.15029 19.18676 0.683 38.89369 N ? A ? 48 NZ 1
   ATOM 1054 H B LYS A 49 ? -6.33023 42.37002 15.47690 0.683 17.74758 H ? A ? 48 H 1
   ATOM 1055 HA B LYS A 49 ? -6.08265 42.60165 18.04946 0.683 21.24475 H ? A ? 48 HA 1
   ATOM 1056 HB2 B LYS A 49 ? -7.62572 43.85408 16.96724 0.683 19.38139 H ? A ? 48 HB2 1
   ATOM 1057 HB3 B LYS A 49 ? -8.41341 42.55339 16.50553 0.683 19.38139 H ? A ? 48 HB3 1
   ATOM 1058 HG2 B LYS A 49 ? -8.94843 42.12110 18.81018 0.683 24.89872 H ? A ? 48 HG2 1
   ATOM 1059 HG3 B LYS A 49 ? -8.27350 43.50846 19.19112 0.683 24.89872 H ? A ? 48 HG3 1
   ATOM 1060 HD2 B LYS A 49 ? -9.88599 44.65989 17.97480 0.683 27.09177 H ? A ? 48 HD2 1
   ATOM 1061 HD3 B LYS A 49 ? -10.52950 43.28943 17.49195 0.683 27.09177 H ? A ? 48 HD3 1
   ATOM 1062 HE2 B LYS A 49 ? -11.02021 42.82165 19.84972 0.683 34.83844 H ? A ? 48 HE2 1
   ATOM 1063 HE3 B LYS A 49 ? -10.62620 44.33095 20.15335 0.683 34.83844 H ? A ? 48 HE3 1
   ATOM 1064 HZ1 B LYS A 49 ? -12.96963 43.66462 19.66099 0.683 46.67242 H ? A ? 48 HZ1 1
   ATOM 1065 HZ2 B LYS A 49 ? -12.50204 45.00924 19.39324 0.683 46.67242 H ? A ? 48 HZ2 1
   ATOM 1066 HZ3 B LYS A 49 ? -12.56576 44.03758 18.32080 0.683 46.67242 H ? A ? 48 HZ3 1
   ATOM 1067 N A THR A 50 ? -7.51616 39.78858 17.16153 0.317 16.08227 N ? A ? 49 N 1
   ATOM 1068 CA A THR A 50 ? -7.81739 38.44960 17.64368 0.317 16.68770 C ? A ? 49 CA 1
   ATOM 1069 C A THR A 50 ? -6.55499 37.71746 18.06331 0.317 15.50688 C ? A ? 49 C 1
   ATOM 1070 O A THR A 50 ? -6.55609 37.02104 19.10050 0.317 14.98615 O ? A ? 49 O 1
   ATOM 1071 CB A THR A 50 ? -8.54224 37.65751 16.54854 0.317 18.95501 C ? A ? 49 CB 1
   ATOM 1072 OG1 A THR A 50 ? -9.80564 38.27004 16.26704 0.317 20.64009 O ? A ? 49 OG1 1
   ATOM 1073 CG2 A THR A 50 ? -8.76678 36.22159 16.95911 0.317 18.45508 C ? A ? 49 CG2 1
   ATOM 1074 H A THR A 50 ? -7.70022 39.92137 16.33202 0.317 19.29872 H ? A ? 49 H 1
   ATOM 1075 HA A THR A 50 ? -8.39981 38.51918 18.41624 0.317 20.02524 H ? A ? 49 HA 1
   ATOM 1076 HB A THR A 50 ? -7.99169 37.65520 15.74993 0.317 22.74601 H ? A ? 49 HB 1
   ATOM 1077 HG1 A THR A 50 ? -9.69020 39.06069 16.00790 0.317 24.76810 H ? A ? 49 HG1 1
   ATOM 1078 HG21 A THR A 50 ? -9.44811 35.81885 16.39832 0.317 22.14610 H ? A ? 49 HG21 1
   ATOM 1079 HG22 A THR A 50 ? -7.94352 35.71720 16.86564 0.317 22.14610 H ? A ? 49 HG22 1
   ATOM 1080 HG23 A THR A 50 ? -9.05668 36.18243 17.88395 0.317 22.14610 H ? A ? 49 HG23 1
   ATOM 1081 N B THR A 50 ? -7.54320 39.88414 17.22757 0.683 15.95033 N ? A ? 49 N 1
   ATOM 1082 CA B THR A 50 ? -7.75130 38.52532 17.70238 0.683 16.53287 C ? A ? 49 CA 1
   ATOM 1083 C B THR A 50 ? -6.45293 37.88950 18.13893 0.683 15.15825 C ? A ? 49 C 1
   ATOM 1084 O B THR A 50 ? -6.34976 37.35105 19.26689 0.683 15.63288 O ? A ? 49 O 1
   ATOM 1085 CB B THR A 50 ? -8.44975 37.73283 16.56697 0.683 19.07689 C ? A ? 49 CB 1
   ATOM 1086 OG1 B THR A 50 ? -9.72075 38.34528 16.26683 0.683 20.64849 O ? A ? 49 OG1 1
   ATOM 1087 CG2 B THR A 50 ? -8.64198 36.28927 16.87070 0.683 18.39881 C ? A ? 49 CG2 1
   ATOM 1088 H B THR A 50 ? -7.84951 40.04107 16.43944 0.683 19.14039 H ? A ? 49 H 1
   ATOM 1089 HA B THR A 50 ? -8.32537 38.51591 18.48420 0.683 19.83945 H ? A ? 49 HA 1
   ATOM 1090 HB B THR A 50 ? -7.86856 37.76007 15.79084 0.683 22.89226 H ? A ? 49 HB 1
   ATOM 1091 HG1 B THR A 50 ? -10.22231 38.31083 16.93977 0.683 24.77819 H ? A ? 49 HG1 1
   ATOM 1092 HG21 B THR A 50 ? -9.31506 35.91317 16.28213 0.683 22.07858 H ? A ? 49 HG21 1
   ATOM 1093 HG22 B THR A 50 ? -7.80863 35.80955 16.74305 0.683 22.07858 H ? A ? 49 HG22 1
   ATOM 1094 HG23 B THR A 50 ? -8.93086 36.17930 17.79013 0.683 22.07858 H ? A ? 49 HG23 1
   ATOM 1095 N . LEU A 51 ? -5.46157 37.83892 17.29028 1.000 15.97907 N ? A ? 50 N 1
   ATOM 1096 CA . LEU A 51 ? -4.23499 37.16003 17.57478 1.000 15.88914 C ? A ? 50 CA 1
   ATOM 1097 C . LEU A 51 ? -3.57634 37.72159 18.85574 1.000 15.54993 C ? A ? 50 C 1
   ATOM 1098 O . LEU A 51 ? -3.01520 36.96727 19.64946 1.000 17.00079 O ? A ? 50 O 1
   ATOM 1099 CB . LEU A 51 ? -3.24682 37.27824 16.41319 1.000 18.33611 C ? A ? 50 CB 1
   ATOM 1100 CG . LEU A 51 ? -3.71880 36.51545 15.19997 1.000 17.72020 C ? A ? 50 CG 1
   ATOM 1101 CD1 . LEU A 51 ? -2.73517 36.91812 14.02613 1.000 19.30368 C ? A ? 50 CD1 1
   ATOM 1102 CD2 . LEU A 51 ? -3.77320 35.06799 15.37581 1.000 18.76851 C ? A ? 50 CD2 1
   ATOM 1103 HA . LEU A 51 ? -4.44324 36.22061 17.69736 1.000 19.06697 H ? A ? 50 HA 1
   ATOM 1104 HB2 . LEU A 51 ? -3.15158 38.21214 16.16894 1.000 22.00333 H ? A ? 50 HB2 1
   ATOM 1105 HB3 . LEU A 51 ? -2.38875 36.91753 16.68613 1.000 22.00333 H ? A ? 50 HB3 1
   ATOM 1106 HG . LEU A 51 ? -4.63993 36.74784 15.00394 1.000 21.26424 H ? A ? 50 HG 1
   ATOM 1107 HD11 . LEU A 51 ? -2.98864 36.43724 13.22275 1.000 23.16441 H ? A ? 50 HD11 1
   ATOM 1108 HD12 . LEU A 51 ? -2.79982 37.87390 13.87380 1.000 23.16441 H ? A ? 50 HD12 1
   ATOM 1109 HD13 . LEU A 51 ? -1.82857 36.68413 14.27954 1.000 23.16441 H ? A ? 50 HD13 1
   ATOM 1110 HD21 . LEU A 51 ? -4.00869 34.65574 14.52994 1.000 22.52222 H ? A ? 50 HD21 1
   ATOM 1111 HD22 . LEU A 51 ? -2.90340 34.75231 15.66683 1.000 22.52222 H ? A ? 50 HD22 1
   ATOM 1112 HD23 . LEU A 51 ? -4.44283 34.85609 16.04483 1.000 22.52222 H ? A ? 50 HD23 1
   ATOM 1113 H A LEU A 51 ? -5.42391 38.32548 16.58214 0.317 19.17489 H ? A ? 50 H 1
   ATOM 1114 H B LEU A 51 ? -5.47470 38.20428 16.51185 0.683 19.17489 H ? A ? 50 H 1
   ATOM 1115 N . SER A 52 ? -3.62408 39.03035 19.05698 1.000 16.48242 N ? A ? 51 N 1
   ATOM 1116 CA . SER A 52 ? -2.91305 39.68196 20.14446 1.000 16.62782 C ? A ? 51 CA 1
   ATOM 1117 C . SER A 52 ? -3.49103 39.37126 21.48720 1.000 16.90048 C ? A ? 51 C 1
   ATOM 1118 O . SER A 52 ? -2.83227 39.70460 22.49658 1.000 17.67483 O ? A ? 51 O 1
   ATOM 1119 CB . SER A 52 ? -2.88923 41.17939 19.90672 1.000 17.51466 C ? A ? 51 CB 1
   ATOM 1120 OG . SER A 52 ? -2.07916 41.51156 18.80769 1.000 22.14723 O ? A ? 51 OG 1
   ATOM 1121 H . SER A 52 ? -4.07184 39.57638 18.56610 1.000 19.77891 H ? A ? 51 H 1
   ATOM 1122 HA . SER A 52 ? -1.99459 39.37020 20.15580 1.000 19.95338 H ? A ? 51 HA 1
   ATOM 1123 HB2 . SER A 52 ? -3.79371 41.48359 19.73276 1.000 21.01760 H ? A ? 51 HB2 1
   ATOM 1124 HB3 . SER A 52 ? -2.53852 41.61691 20.69822 1.000 21.01760 H ? A ? 51 HB3 1
   ATOM 1125 HG . SER A 52 ? -2.08589 42.34276 18.68663 1.000 26.57668 H ? A ? 51 HG 1
   ATOM 1126 N . ALA A 53 ? -4.68788 38.82345 21.57161 1.000 14.03749 N ? A ? 52 N 1
   ATOM 1127 CA . ALA A 53 ? -5.26891 38.33200 22.80055 1.000 16.38077 C ? A ? 52 CA 1
   ATOM 1128 C . ALA A 53 ? -4.82798 36.92656 23.14391 1.000 18.36369 C ? A ? 52 C 1
   ATOM 1129 O . ALA A 53 ? -5.15918 36.45542 24.27773 1.000 21.10887 O ? A ? 52 O 1
   ATOM 1130 CB . ALA A 53 ? -6.79435 38.38270 22.69350 1.000 18.75645 C ? A ? 52 CB 1
   ATOM 1131 H . ALA A 53 ? -5.20907 38.72024 20.89536 1.000 16.84499 H ? A ? 52 H 1
   ATOM 1132 HA . ALA A 53 ? -4.99708 38.90480 23.53465 1.000 19.65692 H ? A ? 52 HA 1
   ATOM 1133 HB1 . ALA A 53 ? -7.17950 38.12262 23.54493 1.000 22.50774 H ? A ? 52 HB1 1
   ATOM 1134 HB2 . ALA A 53 ? -7.06538 39.28691 22.47026 1.000 22.50774 H ? A ? 52 HB2 1
   ATOM 1135 HB3 . ALA A 53 ? -7.08273 37.76995 21.99904 1.000 22.50774 H ? A ? 52 HB3 1
   ATOM 1136 N . LEU A 54 ? -4.18086 36.18575 22.23368 1.000 15.36497 N ? A ? 53 N 1
   ATOM 1137 CA . LEU A 54 ? -3.98629 34.77779 22.43338 1.000 17.76499 C ? A ? 53 CA 1
   ATOM 1138 C . LEU A 54 ? -2.74651 34.30569 23.15413 1.000 16.62003 C ? A ? 53 C 1
   ATOM 1139 O . LEU A 54 ? -2.85290 33.30089 23.91081 1.000 17.06848 O ? A ? 53 O 1
   ATOM 1140 CB . LEU A 54 ? -4.03166 34.02222 21.10470 1.000 17.13444 C ? A ? 53 CB 1
   ATOM 1141 CG . LEU A 54 ? -5.27226 34.17895 20.18196 1.000 21.34399 C ? A ? 53 CG 1
   ATOM 1142 CD1 . LEU A 54 ? -5.16323 33.29552 19.00755 1.000 18.74007 C ? A ? 53 CD1 1
   ATOM 1143 CD2 . LEU A 54 ? -6.50355 33.75226 21.00112 1.000 19.37403 C ? A ? 53 CD2 1
   ATOM 1144 H . LEU A 54 ? -3.85241 36.49069 21.49970 1.000 18.43797 H ? A ? 53 H 1
   ATOM 1145 HA . LEU A 54 ? -4.71780 34.57126 23.03600 1.000 21.31799 H ? A ? 53 HA 1
   ATOM 1146 HB2 . LEU A 54 ? -3.26574 34.30852 20.58287 1.000 20.56133 H ? A ? 53 HB2 1
   ATOM 1147 HB3 . LEU A 54 ? -3.96021 33.07631 21.30729 1.000 20.56133 H ? A ? 53 HB3 1
   ATOM 1148 HG . LEU A 54 ? -5.34750 35.09389 19.86871 1.000 25.61279 H ? A ? 53 HG 1
   ATOM 1149 HD11 . LEU A 54 ? -5.97579 33.36638 18.48255 1.000 22.48809 H ? A ? 53 HD11 1
   ATOM 1150 HD12 . LEU A 54 ? -4.40042 33.57056 18.47521 1.000 22.48809 H ? A ? 53 HD12 1
   ATOM 1151 HD13 . LEU A 54 ? -5.04337 32.38165 19.30985 1.000 22.48809 H ? A ? 53 HD13 1
   ATOM 1152 HD21 . LEU A 54 ? -7.27187 33.69819 20.41148 1.000 23.24883 H ? A ? 53 HD21 1
   ATOM 1153 HD22 . LEU A 54 ? -6.33186 32.88537 21.40104 1.000 23.24883 H ? A ? 53 HD22 1
   ATOM 1154 HD23 . LEU A 54 ? -6.66481 34.41057 21.69504 1.000 23.24883 H ? A ? 53 HD23 1
   ATOM 1155 N . PRO A 55 ? -1.61138 34.98334 23.13363 1.000 16.18457 N ? A ? 54 N 1
   ATOM 1156 CA . PRO A 55 ? -0.43703 34.36039 23.76041 1.000 16.48532 C ? A ? 54 CA 1
   ATOM 1157 C . PRO A 55 ? -0.54956 34.22173 25.25809 1.000 15.88754 C ? A ? 54 C 1
   ATOM 1158 O . PRO A 55 ? 0.04126 33.29533 25.83018 1.000 16.22790 O ? A ? 54 O 1
   ATOM 1159 CB . PRO A 55 ? 0.69274 35.28818 23.39939 1.000 16.93343 C ? A ? 54 CB 1
   ATOM 1160 CG . PRO A 55 ? 0.19461 35.97462 22.10947 1.000 15.34862 C ? A ? 54 CG 1
   ATOM 1161 CD . PRO A 55 ? -1.24658 36.13480 22.25179 1.000 16.13491 C ? A ? 54 CD 1
   ATOM 1162 HA . PRO A 55 ? -0.28974 33.48872 23.36116 1.000 19.78239 H ? A ? 54 HA 1
   ATOM 1163 HB2 . PRO A 55 ? 0.83807 35.93344 24.10892 1.000 20.32011 H ? A ? 54 HB2 1
   ATOM 1164 HB3 . PRO A 55 ? 1.50502 34.78282 23.23905 1.000 20.32011 H ? A ? 54 HB3 1
   ATOM 1165 HG2 . PRO A 55 ? 0.62566 36.83844 22.01503 1.000 18.41834 H ? A ? 54 HG2 1
   ATOM 1166 HG3 . PRO A 55 ? 0.40126 35.41532 21.34437 1.000 18.41834 H ? A ? 54 HG3 1
   ATOM 1167 HD2 . PRO A 55 ? -1.46340 36.98037 22.67477 1.000 19.36189 H ? A ? 54 HD2 1
   ATOM 1168 HD3 . PRO A 55 ? -1.69122 36.07024 21.39212 1.000 19.36189 H ? A ? 54 HD3 1
   ATOM 1169 N . TRP A 56 ? -1.27060 35.12358 25.90250 1.000 17.54452 N ? A ? 55 N 1
   ATOM 1170 CA . TRP A 56 ? -1.09501 35.31993 27.34872 1.000 15.95368 C ? A ? 55 CA 1
   ATOM 1171 C . TRP A 56 ? -1.57998 34.07330 28.10047 1.000 16.94841 C ? A ? 55 C 1
   ATOM 1172 O . TRP A 56 ? -0.92393 33.66007 29.09706 1.000 21.45606 O ? A ? 55 O 1
   ATOM 1173 CB . TRP A 56 ? -1.66500 36.70592 27.81694 1.000 18.36128 C ? A ? 55 CB 1
   ATOM 1174 CG . TRP A 56 ? -1.39660 37.67814 26.76665 1.000 18.12598 C ? A ? 55 CG 1
   ATOM 1175 CD1 . TRP A 56 ? -2.33708 38.30208 25.98280 1.000 18.14395 C ? A ? 55 CD1 1
   ATOM 1176 CD2 . TRP A 56 ? -0.11307 38.00019 26.17634 1.000 14.61907 C ? A ? 55 CD2 1
   ATOM 1177 NE1 . TRP A 56 ? -1.74020 39.01932 25.05651 1.000 18.41840 N ? A ? 55 NE1 1
   ATOM 1178 CE2 . TRP A 56 ? -0.37784 38.77940 25.03911 1.000 16.97827 C ? A ? 55 CE2 1
   ATOM 1179 CE3 . TRP A 56 ? 1.23151 37.66337 26.45699 1.000 15.25818 C ? A ? 55 CE3 1
   ATOM 1180 CZ2 . TRP A 56 ? 0.61175 39.26608 24.29607 1.000 15.08580 C ? A ? 55 CZ2 1
   ATOM 1181 CZ3 . TRP A 56 ? 2.22100 38.08207 25.58810 1.000 17.47382 C ? A ? 55 CZ3 1
   ATOM 1182 CH2 . TRP A 56 ? 1.88775 38.85315 24.47377 1.000 17.98483 C ? A ? 55 CH2 1
   ATOM 1183 H . TRP A 56 ? -1.86205 35.63224 25.54048 1.000 21.05342 H ? A ? 55 H 1
   ATOM 1184 HA . TRP A 56 ? -0.15913 35.40999 27.58733 1.000 19.14442 H ? A ? 55 HA 1
   ATOM 1185 HB2 . TRP A 56 ? -2.62257 36.64302 27.95832 1.000 22.03354 H ? A ? 55 HB2 1
   ATOM 1186 HB3 . TRP A 56 ? -1.22674 36.98852 28.63485 1.000 22.03354 H ? A ? 55 HB3 1
   ATOM 1187 HD1 . TRP A 56 ? -3.25777 38.22811 26.09123 1.000 21.77274 H ? A ? 55 HD1 1
   ATOM 1188 HE1 . TRP A 56 ? -2.14410 39.56637 24.53001 1.000 22.10209 H ? A ? 55 HE1 1
   ATOM 1189 HE3 . TRP A 56 ? 1.44630 37.16801 27.21422 1.000 18.30981 H ? A ? 55 HE3 1
   ATOM 1190 HZ2 . TRP A 56 ? 0.42350 39.90107 23.64319 1.000 18.10296 H ? A ? 55 HZ2 1
   ATOM 1191 HZ3 . TRP A 56 ? 3.10777 37.85033 25.74571 1.000 20.96858 H ? A ? 55 HZ3 1
   ATOM 1192 HH2 . TRP A 56 ? 2.54201 39.08288 23.85404 1.000 21.58180 H ? A ? 55 HH2 1
   ATOM 1193 N . ALA A 57 ? -2.66809 33.46748 27.67952 1.000 16.33443 N ? A ? 56 N 1
   ATOM 1194 CA . ALA A 57 ? -3.19121 32.26081 28.33187 1.000 17.77699 C ? A ? 56 CA 1
   ATOM 1195 C . ALA A 57 ? -2.31202 31.06254 28.20190 1.000 18.06815 C ? A ? 56 C 1
   ATOM 1196 O . ALA A 57 ? -2.53024 30.06401 28.89933 1.000 18.96411 O ? A ? 56 O 1
   ATOM 1197 CB . ALA A 57 ? -4.55807 31.95280 27.70795 1.000 22.25715 C ? A ? 56 CB 1
   ATOM 1198 H . ALA A 57 ? -3.13830 33.72927 27.00872 1.000 19.60131 H ? A ? 56 H 1
   ATOM 1199 HA . ALA A 57 ? -3.28047 32.42992 29.28284 1.000 21.33239 H ? A ? 56 HA 1
   ATOM 1200 HB1 . ALA A 57 ? -4.92940 31.16459 28.13425 1.000 26.70858 H ? A ? 56 HB1 1
   ATOM 1201 HB2 . ALA A 57 ? -5.14637 32.71161 27.84586 1.000 26.70858 H ? A ? 56 HB2 1
   ATOM 1202 HB3 . ALA A 57 ? -4.44273 31.79196 26.75836 1.000 26.70858 H ? A ? 56 HB3 1
   ATOM 1203 N . ALA A 58 ? -1.26692 31.12614 27.38644 1.000 17.31175 N ? A ? 57 N 1
   ATOM 1204 CA . ALA A 58 ? -0.27417 30.05613 27.24773 1.000 15.74880 C ? A ? 57 CA 1
   ATOM 1205 C . ALA A 58 ? 1.01129 30.33507 27.97637 1.000 16.64187 C ? A ? 57 C 1
   ATOM 1206 O . ALA A 58 ? 1.98136 29.61539 27.77883 1.000 16.02547 O ? A ? 57 O 1
   ATOM 1207 CB . ALA A 58 ? -0.05835 29.83110 25.71652 1.000 17.21935 C ? A ? 57 CB 1
   ATOM 1208 H . ALA A 58 ? -1.10102 31.80269 26.88210 1.000 20.77411 H ? A ? 57 H 1
   ATOM 1209 HA . ALA A 58 ? -0.59920 29.23302 27.64492 1.000 18.89856 H ? A ? 57 HA 1
   ATOM 1210 HB1 . ALA A 58 ? 0.65424 29.18535 25.58958 1.000 20.66322 H ? A ? 57 HB1 1
   ATOM 1211 HB2 . ALA A 58 ? -0.88139 29.49623 25.32745 1.000 20.66322 H ? A ? 57 HB2 1
   ATOM 1212 HB3 . ALA A 58 ? 0.18294 30.67529 25.30419 1.000 20.66322 H ? A ? 57 HB3 1
   ATOM 1213 N . PHE A 59 ? 0.99118 31.29708 28.88915 1.000 18.36807 N ? A ? 58 N 1
   ATOM 1214 CA . PHE A 59 ? 2.01798 31.42315 29.95991 1.000 18.39615 C ? A ? 58 CA 1
   ATOM 1215 C . PHE A 59 ? 1.40933 31.10051 31.29054 1.000 20.24827 C ? A ? 58 C 1
   ATOM 1216 O . PHE A 59 ? 1.73263 31.77587 32.28091 1.000 19.94446 O ? A ? 58 O 1
   ATOM 1217 CB . PHE A 59 ? 2.54948 32.83534 29.91893 1.000 17.00684 C ? A ? 58 CB 1
   ATOM 1218 CG . PHE A 59 ? 3.30707 33.25788 28.68238 1.000 18.07210 C ? A ? 58 CG 1
   ATOM 1219 CD1 . PHE A 59 ? 4.68811 33.12464 28.55897 1.000 18.78812 C ? A ? 58 CD1 1
   ATOM 1220 CD2 . PHE A 59 ? 2.65697 33.84139 27.63204 1.000 16.23742 C ? A ? 58 CD2 1
   ATOM 1221 CE1 . PHE A 59 ? 5.38755 33.57131 27.50722 1.000 16.97201 C ? A ? 58 CE1 1
   ATOM 1222 CE2 . PHE A 59 ? 3.35851 34.28289 26.50122 1.000 19.08299 C ? A ? 58 CE2 1
   ATOM 1223 CZ . PHE A 59 ? 4.71795 34.16466 26.40890 1.000 17.61036 C ? A ? 58 CZ 1
   ATOM 1224 H . PHE A 59 ? 0.38726 31.90841 28.92301 1.000 22.04168 H ? A ? 58 H 1
   ATOM 1225 HA . PHE A 59 ? 2.75579 30.80744 29.82792 1.000 22.07537 H ? A ? 58 HA 1
   ATOM 1226 HB2 . PHE A 59 ? 1.79571 33.43962 30.00592 1.000 20.40821 H ? A ? 58 HB2 1
   ATOM 1227 HB3 . PHE A 59 ? 3.15331 32.94792 30.66966 1.000 20.40821 H ? A ? 58 HB3 1
   ATOM 1228 HD1 . PHE A 59 ? 5.15097 32.70155 29.24574 1.000 22.54574 H ? A ? 58 HD1 1
   ATOM 1229 HD2 . PHE A 59 ? 1.73373 33.94754 27.66768 1.000 19.48490 H ? A ? 58 HD2 1
   ATOM 1230 HE1 . PHE A 59 ? 6.31410 33.49171 27.49818 1.000 20.36641 H ? A ? 58 HE1 1
   ATOM 1231 HE2 . PHE A 59 ? 2.88775 34.66565 25.79640 1.000 22.89959 H ? A ? 58 HE2 1
   ATOM 1232 HZ . PHE A 59 ? 5.18175 34.46041 25.65901 1.000 21.13243 H ? A ? 58 HZ 1
   ATOM 1233 N . GLY A 60 ? 0.60458 30.05516 31.39154 1.000 19.41579 N ? A ? 59 N 1
   ATOM 1234 CA . GLY A 60 ? 0.01092 29.60497 32.65659 1.000 22.46791 C ? A ? 59 CA 1
   ATOM 1235 C . GLY A 60 ? 1.10545 29.11184 33.57558 1.000 23.58881 C ? A ? 59 C 1
   ATOM 1236 O . GLY A 60 ? 2.26085 28.95682 33.20756 1.000 22.32634 O ? A ? 59 O 1
   ATOM 1237 H . GLY A 60 ? 0.37376 29.56706 30.72215 1.000 23.29895 H ? A ? 59 H 1
   ATOM 1238 HA2 . GLY A 60 ? -0.45754 30.33883 33.08425 1.000 26.96149 H ? A ? 59 HA2 1
   ATOM 1239 HA3 . GLY A 60 ? -0.61598 28.88332 32.49193 1.000 26.96149 H ? A ? 59 HA3 1
   ATOM 1240 N . PRO A 61 ? 0.80775 29.04594 34.86703 1.000 24.52681 N ? A ? 60 N 1
   ATOM 1241 CA . PRO A 61 ? 1.84761 28.69882 35.80234 1.000 24.10207 C ? A ? 60 CA 1
   ATOM 1242 C . PRO A 61 ? 2.48159 27.34959 35.45301 1.000 20.48207 C ? A ? 60 C 1
   ATOM 1243 O . PRO A 61 ? 1.81619 26.43269 35.04789 1.000 25.46349 O ? A ? 60 O 1
   ATOM 1244 CB . PRO A 61 ? 1.10399 28.74032 37.14889 1.000 26.23303 C ? A ? 60 CB 1
   ATOM 1245 CG . PRO A 61 ? -0.40094 28.55917 36.75281 1.000 30.22123 C ? A ? 60 CG 1
   ATOM 1246 CD . PRO A 61 ? -0.52363 29.25680 35.43038 1.000 30.88282 C ? A ? 60 CD 1
   ATOM 1247 HA . PRO A 61 ? 2.56200 29.35433 35.83144 1.000 28.92248 H ? A ? 60 HA 1
   ATOM 1248 HB2 . PRO A 61 ? 1.40619 28.01727 37.72052 1.000 31.47964 H ? A ? 60 HB2 1
   ATOM 1249 HB3 . PRO A 61 ? 1.25173 29.59322 37.58665 1.000 31.47964 H ? A ? 60 HB3 1
   ATOM 1250 HG2 . PRO A 61 ? -0.61286 27.61615 36.67098 1.000 36.26548 H ? A ? 60 HG2 1
   ATOM 1251 HG3 . PRO A 61 ? -0.97288 28.97113 37.41919 1.000 36.26548 H ? A ? 60 HG3 1
   ATOM 1252 HD2 . PRO A 61 ? -1.20848 28.84774 34.87852 1.000 37.05938 H ? A ? 60 HD2 1
   ATOM 1253 HD3 . PRO A 61 ? -0.71146 30.20134 35.54648 1.000 37.05938 H ? A ? 60 HD3 1
   ATOM 1254 N . GLY A 62 ? 3.82434 27.27549 35.60689 1.000 23.22560 N ? A ? 61 N 1
   ATOM 1255 CA . GLY A 62 ? 4.58505 26.07662 35.34841 1.000 25.59280 C ? A ? 61 CA 1
   ATOM 1256 C . GLY A 62 ? 5.00089 25.88431 33.92747 1.000 24.37393 C ? A ? 61 C 1
   ATOM 1257 O . GLY A 62 ? 5.51948 24.81049 33.58880 1.000 26.51836 O ? A ? 61 O 1
   ATOM 1258 H . GLY A 62 ? 4.31136 27.93459 35.86767 1.000 27.87072 H ? A ? 61 H 1
   ATOM 1259 HA2 . GLY A 62 ? 5.38907 26.09722 35.89066 1.000 30.71136 H ? A ? 61 HA2 1
   ATOM 1260 HA3 . GLY A 62 ? 4.05033 25.30924 35.60552 1.000 30.71136 H ? A ? 61 HA3 1
   ATOM 1261 N . THR A 63 ? 4.60304 26.80917 33.05006 1.000 22.80745 N ? A ? 62 N 1
   ATOM 1262 CA . THR A 63 ? 4.88056 26.70414 31.60582 1.000 22.25156 C ? A ? 62 CA 1
   ATOM 1263 C . THR A 63 ? 6.18314 27.36791 31.25297 1.000 21.80334 C ? A ? 62 C 1
   ATOM 1264 O . THR A 63 ? 6.32226 27.81964 30.07858 1.000 20.09873 O ? A ? 62 O 1
   ATOM 1265 CB . THR A 63 ? 3.72454 27.21318 30.72230 1.000 20.67735 C ? A ? 62 CB 1
   ATOM 1266 OG1 . THR A 63 ? 3.50259 28.60451 30.87118 1.000 18.52598 O ? A ? 62 OG1 1
   ATOM 1267 CG2 . THR A 63 ? 2.47912 26.40447 30.89352 1.000 26.14034 C ? A ? 62 CG2 1
   ATOM 1268 H . THR A 63 ? 4.16498 27.51715 33.26561 1.000 27.36894 H ? A ? 62 H 1
   ATOM 1269 HA . THR A 63 ? 4.93925 25.76126 31.38571 1.000 26.70187 H ? A ? 62 HA 1
   ATOM 1270 HB . THR A 63 ? 3.98762 27.08997 29.79682 1.000 24.81282 H ? A ? 62 HB 1
   ATOM 1271 HG1 . THR A 63 ? 2.75068 28.81058 30.55850 1.000 22.23118 H ? A ? 62 HG1 1
   ATOM 1272 HG21 . THR A 63 ? 1.79828 26.70837 30.27303 1.000 31.36841 H ? A ? 62 HG21 1
   ATOM 1273 HG22 . THR A 63 ? 2.66549 25.46803 30.72249 1.000 31.36841 H ? A ? 62 HG22 1
   ATOM 1274 HG23 . THR A 63 ? 2.14434 26.49853 31.79904 1.000 31.36841 H ? A ? 62 HG23 1
   ATOM 1275 N . GLU A 64 ? 7.11074 27.49202 32.18851 1.000 19.79416 N ? A ? 63 N 1
   ATOM 1276 CA . GLU A 64 ? 8.46015 27.83858 31.91273 1.000 19.87951 C ? A ? 63 CA 1
   ATOM 1277 C . GLU A 64 ? 8.91267 27.08122 30.67832 1.000 18.84496 C ? A ? 63 C 1
   ATOM 1278 O . GLU A 64 ? 8.61161 25.87358 30.50331 1.000 19.79384 O ? A ? 63 O 1
   ATOM 1279 CB . GLU A 64 ? 9.38267 27.51704 33.10241 1.000 24.13103 C ? A ? 63 CB 1
   ATOM 1280 CG . GLU A 64 ? 9.20382 28.50707 34.23537 1.000 22.58480 C ? A ? 63 CG 1
   ATOM 1281 CD . GLU A 64 ? 8.05578 28.19189 35.14324 1.000 22.09610 C ? A ? 63 CD 1
   ATOM 1282 OE1 . GLU A 64 ? 7.20026 27.26850 34.91727 1.000 23.96355 O ? A ? 63 OE1 1
   ATOM 1283 OE2 . GLU A 64 ? 8.04965 29.00050 36.14974 1.000 21.69029 O ? A ? 63 OE2 1
   ATOM 1284 H . GLU A 64 ? 6.96111 27.37167 33.02680 1.000 23.75300 H ? A ? 63 H 1
   ATOM 1285 HA . GLU A 64 ? 8.52958 28.79462 31.76420 1.000 23.85541 H ? A ? 63 HA 1
   ATOM 1286 HB2 . GLU A 64 ? 9.17534 26.63050 33.43700 1.000 28.95724 H ? A ? 63 HB2 1
   ATOM 1287 HB3 . GLU A 64 ? 10.30658 27.55330 32.80920 1.000 28.95724 H ? A ? 63 HB3 1
   ATOM 1288 HG2 . GLU A 64 ? 10.01124 28.51439 34.77288 1.000 27.10177 H ? A ? 63 HG2 1
   ATOM 1289 HG3 . GLU A 64 ? 9.04835 29.38713 33.85824 1.000 27.10177 H ? A ? 63 HG3 1
   ATOM 1290 N . GLY A 65 ? 9.74275 27.74374 29.89352 1.000 20.31556 N ? A ? 64 N 1
   ATOM 1291 CA . GLY A 65 ? 10.27348 27.15507 28.69011 1.000 22.20391 C ? A ? 64 CA 1
   ATOM 1292 C . GLY A 65 ? 10.45562 28.17661 27.58617 1.000 21.99720 C ? A ? 64 C 1
   ATOM 1293 O . GLY A 65 ? 10.09909 29.36461 27.72553 1.000 20.65833 O ? A ? 64 O 1
   ATOM 1294 H . GLY A 65 ? 10.01502 28.54596 30.04152 1.000 24.37868 H ? A ? 64 H 1
   ATOM 1295 HA2 . GLY A 65 ? 11.13561 26.75342 28.88067 1.000 26.64469 H ? A ? 64 HA2 1
   ATOM 1296 HA3 . GLY A 65 ? 9.66761 26.46695 28.37338 1.000 26.64469 H ? A ? 64 HA3 1
   ATOM 1297 N . GLY A 66 ? 11.02986 27.69833 26.47707 1.000 21.53755 N ? A ? 65 N 1
   ATOM 1298 CA . GLY A 66 ? 11.21441 28.54779 25.32957 1.000 22.71457 C ? A ? 65 CA 1
   ATOM 1299 C . GLY A 66 ? 12.19804 29.64816 25.70162 1.000 26.34086 C ? A ? 65 C 1
   ATOM 1300 O . GLY A 66 ? 13.18001 29.42017 26.40721 1.000 25.30782 O ? A ? 65 O 1
   ATOM 1301 H . GLY A 66 ? 11.31408 26.89289 26.37659 1.000 25.84506 H ? A ? 65 H 1
   ATOM 1302 HA2 . GLY A 66 ? 11.56887 28.03650 24.58537 1.000 27.25748 H ? A ? 65 HA2 1
   ATOM 1303 HA3 . GLY A 66 ? 10.37007 28.94572 25.06565 1.000 27.25748 H ? A ? 65 HA3 1
   ATOM 1304 N . ASP A 67 ? 11.92150 30.85076 25.22795 1.000 19.90316 N ? A ? 66 N 1
   ATOM 1305 CA . ASP A 67 ? 12.68330 32.07637 25.49051 1.000 19.38718 C ? A ? 66 CA 1
   ATOM 1306 C . ASP A 67 ? 11.93539 32.94802 26.51168 1.000 21.89074 C ? A ? 66 C 1
   ATOM 1307 O . ASP A 67 ? 12.22080 34.14522 26.65249 1.000 23.42439 O ? A ? 66 O 1
   ATOM 1308 CB . ASP A 67 ? 13.08324 32.78527 24.18317 1.000 19.72635 C ? A ? 66 CB 1
   ATOM 1309 CG . ASP A 67 ? 14.20695 32.08217 23.46263 1.000 30.72816 C ? A ? 66 CG 1
   ATOM 1310 OD1 . ASP A 67 ? 14.81869 31.16037 24.00248 1.000 32.28805 O ? A ? 66 OD1 1
   ATOM 1311 OD2 . ASP A 67 ? 14.44780 32.41317 22.30034 1.000 29.76009 O ? A ? 66 OD2 1
   ATOM 1312 H . ASP A 67 ? 11.24928 31.00168 24.71322 1.000 23.88379 H ? A ? 66 H 1
   ATOM 1313 HA . ASP A 67 ? 13.54723 31.87640 25.88361 1.000 23.26462 H ? A ? 66 HA 1
   ATOM 1314 HB2 . ASP A 67 ? 12.31618 32.81219 23.59005 1.000 23.67162 H ? A ? 66 HB2 1
   ATOM 1315 HB3 . ASP A 67 ? 13.37560 33.68707 24.38855 1.000 23.67162 H ? A ? 66 HB3 1
   ATOM 1316 N C ALA A 68 ? 11.01726 32.37231 27.27225 0.420 19.13303 N ? A ? 67 N 1
   ATOM 1317 CA C ALA A 68 ? 10.30247 33.10915 28.31557 0.420 18.33566 C ? A ? 67 CA 1
   ATOM 1318 C C ALA A 68 ? 11.09433 33.26078 29.64058 0.420 18.45072 C ? A ? 67 C 1
   ATOM 1319 O C ALA A 68 ? 11.33604 32.29492 30.38094 0.420 17.43869 O ? A ? 67 O 1
   ATOM 1320 CB C ALA A 68 ? 8.98593 32.42237 28.64742 0.420 19.96286 C ? A ? 67 CB 1
   ATOM 1321 H C ALA A 68 ? 10.78378 31.54716 27.20723 0.420 22.95963 H ? A ? 67 H 1
   ATOM 1322 HA C ALA A 68 ? 10.16844 33.99727 27.94927 0.420 22.00279 H ? A ? 67 HA 1
   ATOM 1323 HB1 C ALA A 68 ? 8.53318 32.92614 29.34177 0.420 23.95544 H ? A ? 67 HB1 1
   ATOM 1324 HB2 C ALA A 68 ? 8.43585 32.39147 27.84907 0.420 23.95544 H ? A ? 67 HB2 1
   ATOM 1325 HB3 C ALA A 68 ? 9.16900 31.52187 28.95803 0.420 23.95544 H ? A ? 67 HB3 1
   ATOM 1326 N D ALA A 68 ? 10.95458 32.39500 27.17811 0.580 19.03565 N ? A ? 67 N 1
   ATOM 1327 CA D ALA A 68 ? 10.31904 33.11461 28.26754 0.580 18.28093 C ? A ? 67 CA 1
   ATOM 1328 C D ALA A 68 ? 11.30555 33.25130 29.41994 0.580 18.97449 C ? A ? 67 C 1
   ATOM 1329 O D ALA A 68 ? 11.98018 32.27524 29.77077 0.580 18.38533 O ? A ? 67 O 1
   ATOM 1330 CB D ALA A 68 ? 9.05162 32.40878 28.70771 0.580 19.92385 C ? A ? 67 CB 1
   ATOM 1331 H D ALA A 68 ? 10.63519 31.61099 27.02670 0.580 22.84278 H ? A ? 67 H 1
   ATOM 1332 HA D ALA A 68 ? 10.06016 34.00278 27.97591 0.580 21.93711 H ? A ? 67 HA 1
   ATOM 1333 HB1 D ALA A 68 ? 8.65507 32.90127 29.44331 0.580 23.90862 H ? A ? 67 HB1 1
   ATOM 1334 HB2 D ALA A 68 ? 8.43343 32.37485 27.96099 0.580 23.90862 H ? A ? 67 HB2 1
   ATOM 1335 HB3 D ALA A 68 ? 9.27430 31.50911 28.99391 0.580 23.90862 H ? A ? 67 HB3 1
   ATOM 1336 N C ARG A 69 ? 11.36253 34.49008 30.00564 0.420 19.12410 N ? A ? 68 N 1
   ATOM 1337 CA C ARG A 69 ? 12.05921 34.68939 31.27512 0.420 21.47870 C ? A ? 68 CA 1
   ATOM 1338 C C ARG A 69 ? 11.20709 34.27716 32.46520 0.420 21.77462 C ? A ? 68 C 1
   ATOM 1339 O C ARG A 69 ? 9.98239 34.42650 32.47976 0.420 19.85238 O ? A ? 68 O 1
   ATOM 1340 CB C ARG A 69 ? 12.49283 36.15091 31.38498 0.420 20.16628 C ? A ? 68 CB 1
   ATOM 1341 CG C ARG A 69 ? 13.65158 36.51715 30.51439 0.420 22.73368 C ? A ? 68 CG 1
   ATOM 1342 CD C ARG A 69 ? 14.12450 37.93294 30.85001 0.420 25.46870 C ? A ? 68 CD 1
   ATOM 1343 NE C ARG A 69 ? 15.18830 38.42803 29.99439 0.420 26.14899 N ? A ? 68 NE 1
   ATOM 1344 CZ C ARG A 69 ? 16.47072 38.10585 30.08276 0.420 33.67901 C ? A ? 68 CZ 1
   ATOM 1345 NH1 C ARG A 69 ? 16.90707 37.20041 30.94961 0.420 39.99092 N ? A ? 68 NH1 1
   ATOM 1346 NH2 C ARG A 69 ? 17.34127 38.72473 29.29802 0.420 36.60897 N ? A ? 68 NH2 1
   ATOM 1347 H C ARG A 69 ? 11.16579 35.20179 29.56477 0.420 22.94893 H ? A ? 68 H 1
   ATOM 1348 HA C ARG A 69 ? 12.84778 34.12559 31.30950 0.420 25.77444 H ? A ? 68 HA 1
   ATOM 1349 HB2 C ARG A 69 ? 11.74559 36.71529 31.13199 0.420 24.19953 H ? A ? 68 HB2 1
   ATOM 1350 HB3 C ARG A 69 ? 12.74767 36.32991 32.30363 0.420 24.19953 H ? A ? 68 HB3 1
   ATOM 1351 HG2 C ARG A 69 ? 14.38383 35.89937 30.66625 0.420 27.28041 H ? A ? 68 HG2 1
   ATOM 1352 HG3 C ARG A 69 ? 13.38290 36.49057 29.58272 0.420 27.28041 H ? A ? 68 HG3 1
   ATOM 1353 HD2 C ARG A 69 ? 13.37266 38.53968 30.76335 0.420 30.56243 H ? A ? 68 HD2 1
   ATOM 1354 HD3 C ARG A 69 ? 14.45436 37.94159 31.76216 0.420 30.56243 H ? A ? 68 HD3 1
   ATOM 1355 HE C ARG A 69 ? 14.96585 38.98048 29.37398 0.420 31.37879 H ? A ? 68 HE 1
   ATOM 1356 HH11 C ARG A 69 ? 16.35210 36.80470 31.47404 0.420 47.98910 H ? A ? 68 HH11 1
   ATOM 1357 HH12 C ARG A 69 ? 17.74477 37.00943 30.98685 0.420 47.98910 H ? A ? 68 HH12 1
   ATOM 1358 HH21 C ARG A 69 ? 17.07035 39.32388 28.74373 0.420 43.93076 H ? A ? 68 HH21 1
   ATOM 1359 HH22 C ARG A 69 ? 18.17705 38.52715 29.34311 0.420 43.93076 H ? A ? 68 HH22 1
   ATOM 1360 N D ARG A 69 ? 11.38028 34.48249 29.98789 0.580 19.08236 N ? A ? 68 N 1
   ATOM 1361 CA D ARG A 69 ? 12.08992 34.66959 31.25651 0.580 21.49338 C ? A ? 68 CA 1
   ATOM 1362 C D ARG A 69 ? 11.22203 34.30196 32.45651 0.580 21.77098 C ? A ? 68 C 1
   ATOM 1363 O D ARG A 69 ? 10.01047 34.53458 32.48724 0.580 19.92179 O ? A ? 68 O 1
   ATOM 1364 CB D ARG A 69 ? 12.55615 36.12848 31.34813 0.580 20.02243 C ? A ? 68 CB 1
   ATOM 1365 CG D ARG A 69 ? 13.70461 36.49072 30.46115 0.580 22.80282 C ? A ? 68 CG 1
   ATOM 1366 CD D ARG A 69 ? 14.03938 38.01776 30.55337 0.580 21.47896 C ? A ? 68 CD 1
   ATOM 1367 NE D ARG A 69 ? 14.51337 38.35174 31.90440 0.580 26.81841 N ? A ? 68 NE 1
   ATOM 1368 CZ D ARG A 69 ? 15.11666 39.49807 32.18517 0.580 28.86242 C ? A ? 68 CZ 1
   ATOM 1369 NH1 D ARG A 69 ? 15.29541 40.42122 31.26347 0.580 25.90883 N ? A ? 68 NH1 1
   ATOM 1370 NH2 D ARG A 69 ? 15.58400 39.71396 33.41956 0.580 29.02349 N ? A ? 68 NH2 1
   ATOM 1371 H D ARG A 69 ? 11.03469 35.19818 29.65933 0.580 22.89884 H ? A ? 68 H 1
   ATOM 1372 HA D ARG A 69 ? 12.86231 34.08420 31.29690 0.580 25.79205 H ? A ? 68 HA 1
   ATOM 1373 HB2 D ARG A 69 ? 11.81235 36.70268 31.10738 0.580 24.02691 H ? A ? 68 HB2 1
   ATOM 1374 HB3 D ARG A 69 ? 12.82941 36.30515 32.26192 0.580 24.02691 H ? A ? 68 HB3 1
   ATOM 1375 HG2 D ARG A 69 ? 14.48991 35.98934 30.73098 0.580 27.36338 H ? A ? 68 HG2 1
   ATOM 1376 HG3 D ARG A 69 ? 13.47832 36.28297 29.54108 0.580 27.36338 H ? A ? 68 HG3 1
   ATOM 1377 HD2 D ARG A 69 ? 14.73681 38.23788 29.91616 0.580 25.77475 H ? A ? 68 HD2 1
   ATOM 1378 HD3 D ARG A 69 ? 13.24258 38.53829 30.36612 0.580 25.77475 H ? A ? 68 HD3 1
   ATOM 1379 HE D ARG A 69 ? 14.39462 37.78131 32.53695 0.580 32.18209 H ? A ? 68 HE 1
   ATOM 1380 HH11 D ARG A 69 ? 15.01850 40.28645 30.46050 0.580 31.09060 H ? A ? 68 HH11 1
   ATOM 1381 HH12 D ARG A 69 ? 15.68909 41.15894 31.46443 0.580 31.09060 H ? A ? 68 HH12 1
   ATOM 1382 HH21 D ARG A 69 ? 15.49225 39.11079 34.02568 0.580 34.82819 H ? A ? 68 HH21 1
   ATOM 1383 HH22 D ARG A 69 ? 15.97625 40.45594 33.60719 0.580 34.82819 H ? A ? 68 HH22 1
   ATOM 1384 N . PRO A 70 ? 11.85068 33.78894 33.55218 1.000 20.52363 N ? A ? 69 N 1
   ATOM 1385 CA . PRO A 70 ? 11.11539 33.42332 34.72567 1.000 22.39994 C ? A ? 69 CA 1
   ATOM 1386 C . PRO A 70 ? 10.43392 34.57959 35.44130 1.000 18.15209 C ? A ? 69 C 1
   ATOM 1387 O . PRO A 70 ? 9.44143 34.31374 36.02907 1.000 19.03590 O ? A ? 69 O 1
   ATOM 1388 CB . PRO A 70 ? 12.21039 32.78844 35.64331 1.000 21.20258 C ? A ? 69 CB 1
   ATOM 1389 CG . PRO A 70 ? 13.49450 33.25031 35.04649 1.000 24.10371 C ? A ? 69 CG 1
   ATOM 1390 CD . PRO A 70 ? 13.27469 33.46683 33.59259 1.000 19.62949 C ? A ? 69 CD 1
   ATOM 1391 HA . PRO A 70 ? 10.44640 32.76391 34.48376 1.000 26.87993 H ? A ? 69 HA 1
   ATOM 1392 HB2 . PRO A 70 ? 12.11105 33.10971 36.55315 1.000 25.44310 H ? A ? 69 HB2 1
   ATOM 1393 HB3 . PRO A 70 ? 12.14266 31.82100 35.62382 1.000 25.44310 H ? A ? 69 HB3 1
   ATOM 1394 HG2 . PRO A 70 ? 13.76322 34.07941 35.47227 1.000 28.92445 H ? A ? 69 HG2 1
   ATOM 1395 HG3 . PRO A 70 ? 14.17264 32.57088 35.18572 1.000 28.92445 H ? A ? 69 HG3 1
   ATOM 1396 HD2 . PRO A 70 ? 13.81107 34.20451 33.26240 1.000 23.55539 H ? A ? 69 HD2 1
   ATOM 1397 HD3 . PRO A 70 ? 13.46745 32.66315 33.08481 1.000 23.55539 H ? A ? 69 HD3 1
   ATOM 1398 N . GLU A 71 ? 10.83362 35.81397 35.17606 1.000 22.48447 N ? A ? 70 N 1
   ATOM 1399 CA . GLU A 71 ? 10.15416 36.94057 35.82302 1.000 27.19872 C ? A ? 70 CA 1
   ATOM 1400 C . GLU A 71 ? 8.67749 37.01464 35.42092 1.000 21.11497 C ? A ? 70 C 1
   ATOM 1401 O . GLU A 71 ? 7.86510 37.60942 36.11474 1.000 21.86006 O ? A ? 70 O 1
   ATOM 1402 CB . GLU A 71 ? 10.94941 38.16229 35.43908 1.000 27.41050 C ? A ? 70 CB 1
   ATOM 1403 CG . GLU A 71 ? 12.34559 38.31192 36.12505 1.000 28.80757 C ? A ? 70 CG 1
   ATOM 1404 CD . GLU A 71 ? 13.51374 37.67203 35.42853 1.000 34.66111 C ? A ? 70 CD 1
   ATOM 1405 OE1 . GLU A 71 ? 13.34158 36.75845 34.61979 1.000 28.20786 O ? A ? 70 OE1 1
   ATOM 1406 OE2 . GLU A 71 ? 14.70124 38.09106 35.66883 1.000 33.57158 O ? A ? 70 OE2 1
   ATOM 1407 H . GLU A 71 ? 11.47447 36.02654 34.64339 1.000 26.98136 H ? A ? 70 H 1
   ATOM 1408 HA . GLU A 71 ? 10.13523 36.87760 36.79079 1.000 32.63846 H ? A ? 70 HA 1
   ATOM 1409 HB2 . GLU A 71 ? 11.10158 38.13661 34.48144 1.000 32.89260 H ? A ? 70 HB2 1
   ATOM 1410 HB3 . GLU A 71 ? 10.42994 38.94780 35.67151 1.000 32.89260 H ? A ? 70 HB3 1
   ATOM 1411 HG2 . GLU A 71 ? 12.54432 39.25847 36.19889 1.000 34.56909 H ? A ? 70 HG2 1
   ATOM 1412 HG3 . GLU A 71 ? 12.29071 37.91456 37.00822 1.000 34.56909 H ? A ? 70 HG3 1
   ATOM 1413 N . ILE A 72 ? 8.30609 36.41731 34.25949 1.000 22.40107 N ? A ? 71 N 1
   ATOM 1414 CA . ILE A 72 ? 6.88207 36.38615 33.91610 1.000 21.16712 C ? A ? 71 CA 1
   ATOM 1415 C . ILE A 72 ? 6.04400 35.86659 35.06292 1.000 22.39612 C ? A ? 71 C 1
   ATOM 1416 O . ILE A 72 ? 4.94820 36.37759 35.36201 1.000 22.81821 O ? A ? 71 O 1
   ATOM 1417 CB . ILE A 72 ? 6.66822 35.53801 32.63733 1.000 19.67137 C ? A ? 71 CB 1
   ATOM 1418 CG1 . ILE A 72 ? 7.37894 36.23357 31.49320 1.000 20.14293 C ? A ? 71 CG1 1
   ATOM 1419 CG2 . ILE A 72 ? 5.23456 35.25643 32.42692 1.000 18.37097 C ? A ? 71 CG2 1
   ATOM 1420 CD1 . ILE A 72 ? 7.38053 35.38293 30.16255 1.000 17.79973 C ? A ? 71 CD1 1
   ATOM 1421 H . ILE A 72 ? 8.83679 36.04715 33.69297 1.000 26.88128 H ? A ? 71 H 1
   ATOM 1422 HA . ILE A 72 ? 6.59729 37.29680 33.74139 1.000 25.40055 H ? A ? 71 HA 1
   ATOM 1423 HB . ILE A 72 ? 7.06452 34.65631 32.71757 1.000 23.60565 H ? A ? 71 HB 1
   ATOM 1424 HG12 . ILE A 72 ? 6.93290 37.07528 31.31025 1.000 24.17152 H ? A ? 71 HG12 1
   ATOM 1425 HG13 . ILE A 72 ? 8.30120 36.39508 31.74671 1.000 24.17152 H ? A ? 71 HG13 1
   ATOM 1426 HG21 . ILE A 72 ? 5.10896 34.91128 31.52915 1.000 22.04516 H ? A ? 71 HG21 1
   ATOM 1427 HG22 . ILE A 72 ? 4.94300 34.59902 33.07785 1.000 22.04516 H ? A ? 71 HG22 1
   ATOM 1428 HG23 . ILE A 72 ? 4.73159 36.07827 32.53873 1.000 22.04516 H ? A ? 71 HG23 1
   ATOM 1429 HD11 . ILE A 72 ? 8.24324 35.47632 29.72907 1.000 21.35967 H ? A ? 71 HD11 1
   ATOM 1430 HD12 . ILE A 72 ? 7.21999 34.45198 30.38267 1.000 21.35967 H ? A ? 71 HD12 1
   ATOM 1431 HD13 . ILE A 72 ? 6.67931 35.71022 29.57768 1.000 21.35967 H ? A ? 71 HD13 1
   ATOM 1432 N A TRP A 73 ? 6.58307 34.86092 35.77091 0.549 22.20946 N ? A ? 72 N 1
   ATOM 1433 CA A TRP A 73 ? 5.86647 34.20946 36.85771 0.549 24.00304 C ? A ? 72 CA 1
   ATOM 1434 C A TRP A 73 ? 6.31785 34.64689 38.24042 0.549 21.52921 C ? A ? 72 C 1
   ATOM 1435 O A TRP A 73 ? 5.65446 34.29134 39.20498 0.549 24.89508 O ? A ? 72 O 1
   ATOM 1436 CB A TRP A 73 ? 6.02767 32.65813 36.81304 0.549 22.38424 C ? A ? 72 CB 1
   ATOM 1437 CG A TRP A 73 ? 5.43310 32.12066 35.53090 0.549 19.70160 C ? A ? 72 CG 1
   ATOM 1438 CD1 A TRP A 73 ? 4.13885 31.81526 35.35381 0.549 22.62122 C ? A ? 72 CD1 1
   ATOM 1439 CD2 A TRP A 73 ? 6.09601 31.86154 34.26372 0.549 18.70034 C ? A ? 72 CD2 1
   ATOM 1440 NE1 A TRP A 73 ? 3.91571 31.42470 34.05052 0.549 24.79417 N ? A ? 72 NE1 1
   ATOM 1441 CE2 A TRP A 73 ? 5.10831 31.40908 33.38315 0.549 18.83572 C ? A ? 72 CE2 1
   ATOM 1442 CE3 A TRP A 73 ? 7.40876 31.92251 33.83855 0.549 16.67624 C ? A ? 72 CE3 1
   ATOM 1443 CZ2 A TRP A 73 ? 5.38831 31.07063 32.03337 0.549 17.41752 C ? A ? 72 CZ2 1
   ATOM 1444 CZ3 A TRP A 73 ? 7.68383 31.61206 32.52430 0.549 19.03644 C ? A ? 72 CZ3 1
   ATOM 1445 CH2 A TRP A 73 ? 6.68434 31.14587 31.65284 0.549 19.90326 C ? A ? 72 CH2 1
   ATOM 1446 H A TRP A 73 ? 7.36962 34.54173 35.63286 0.549 26.65135 H ? A ? 72 H 1
   ATOM 1447 HA A TRP A 73 ? 4.93109 34.43306 36.73138 0.549 28.80365 H ? A ? 72 HA 1
   ATOM 1448 HB2 A TRP A 73 ? 6.96892 32.42567 36.84320 0.549 26.86109 H ? A ? 72 HB2 1
   ATOM 1449 HB3 A TRP A 73 ? 5.56306 32.25880 37.56509 0.549 26.86109 H ? A ? 72 HB3 1
   ATOM 1450 HD1 A TRP A 73 ? 3.48624 31.86048 36.01484 0.549 27.14547 H ? A ? 72 HD1 1
   ATOM 1451 HE1 A TRP A 73 ? 3.15085 31.22368 33.71263 0.549 29.75300 H ? A ? 72 HE1 1
   ATOM 1452 HE3 A TRP A 73 ? 8.08910 32.16662 34.42373 0.549 20.01149 H ? A ? 72 HE3 1
   ATOM 1453 HZ2 A TRP A 73 ? 4.71787 30.81149 31.44323 0.549 20.90102 H ? A ? 72 HZ2 1
   ATOM 1454 HZ3 A TRP A 73 ? 8.55185 31.71349 32.20627 0.549 22.84373 H ? A ? 72 HZ3 1
   ATOM 1455 HH2 A TRP A 73 ? 6.92004 30.88240 30.79264 0.549 23.88392 H ? A ? 72 HH2 1
   ATOM 1456 N B TRP A 73 ? 6.54062 34.83012 35.76435 0.451 22.25688 N ? A ? 72 N 1
   ATOM 1457 CA B TRP A 73 ? 5.71055 34.12887 36.75454 0.451 24.03669 C ? A ? 72 CA 1
   ATOM 1458 C B TRP A 73 ? 5.89156 34.62485 38.18182 0.451 25.12499 C ? A ? 72 C 1
   ATOM 1459 O B TRP A 73 ? 4.96899 34.51644 39.00227 0.451 25.35170 O ? A ? 72 O 1
   ATOM 1460 CB B TRP A 73 ? 6.04340 32.62203 36.75923 0.451 22.49988 C ? A ? 72 CB 1
   ATOM 1461 CG B TRP A 73 ? 5.61571 32.06045 35.43414 0.451 19.10437 C ? A ? 72 CG 1
   ATOM 1462 CD1 B TRP A 73 ? 4.37425 31.66097 35.13430 0.451 24.20730 C ? A ? 72 CD1 1
   ATOM 1463 CD2 B TRP A 73 ? 6.41344 31.89426 34.21752 0.451 15.88012 C ? A ? 72 CD2 1
   ATOM 1464 NE1 B TRP A 73 ? 4.30356 31.29735 33.80221 0.451 21.83961 N ? A ? 72 NE1 1
   ATOM 1465 CE2 B TRP A 73 ? 5.55383 31.37465 33.24704 0.451 20.81387 C ? A ? 72 CE2 1
   ATOM 1466 CE3 B TRP A 73 ? 7.75123 32.11506 33.88735 0.451 18.57134 C ? A ? 72 CE3 1
   ATOM 1467 CZ2 B TRP A 73 ? 5.98845 31.09927 31.93465 0.451 19.97573 C ? A ? 72 CZ2 1
   ATOM 1468 CZ3 B TRP A 73 ? 8.17705 31.81966 32.63707 0.451 21.46674 C ? A ? 72 CZ3 1
   ATOM 1469 CH2 B TRP A 73 ? 7.30675 31.32110 31.66201 0.451 20.41073 C ? A ? 72 CH2 1
   ATOM 1470 H B TRP A 73 ? 7.33969 34.52239 35.68446 0.451 26.70825 H ? A ? 72 H 1
   ATOM 1471 HA B TRP A 73 ? 4.78661 34.26619 36.49304 0.451 28.84403 H ? A ? 72 HA 1
   ATOM 1472 HB2 B TRP A 73 ? 6.99760 32.48937 36.87233 0.451 26.99985 H ? A ? 72 HB2 1
   ATOM 1473 HB3 B TRP A 73 ? 5.55952 32.17357 37.47032 0.451 26.99985 H ? A ? 72 HB3 1
   ATOM 1474 HD1 B TRP A 73 ? 3.66369 31.63217 35.73362 0.451 29.04876 H ? A ? 72 HD1 1
   ATOM 1475 HE1 B TRP A 73 ? 3.58825 31.06025 33.38781 0.451 26.20754 H ? A ? 72 HE1 1
   ATOM 1476 HE3 B TRP A 73 ? 8.34175 32.46027 34.51744 0.451 22.28560 H ? A ? 72 HE3 1
   ATOM 1477 HZ2 B TRP A 73 ? 5.40388 30.78124 31.28500 0.451 23.97088 H ? A ? 72 HZ2 1
   ATOM 1478 HZ3 B TRP A 73 ? 9.07181 31.95161 32.42051 0.451 25.76009 H ? A ? 72 HZ3 1
   ATOM 1479 HH2 B TRP A 73 ? 7.63329 31.13716 30.81087 0.451 24.49287 H ? A ? 72 HH2 1
   ATOM 1480 N A SER A 74 ? 7.40448 35.38429 38.35109 0.549 21.19260 N ? A ? 73 N 1
   ATOM 1481 CA A SER A 74 ? 7.80181 35.87268 39.68726 0.549 20.93941 C ? A ? 73 CA 1
   ATOM 1482 C A SER A 74 ? 7.18347 37.23802 39.95159 0.549 25.57932 C ? A ? 73 C 1
   ATOM 1483 O A SER A 74 ? 7.12275 37.69165 41.09230 0.549 29.09679 O ? A ? 73 O 1
   ATOM 1484 CB A SER A 74 ? 9.32256 35.84181 39.82190 0.549 21.16558 C ? A ? 73 CB 1
   ATOM 1485 OG A SER A 74 ? 9.98859 36.77190 38.97546 0.549 27.85316 O ? A ? 73 OG 1
   ATOM 1486 H A SER A 74 ? 7.91853 35.61457 37.70122 0.549 25.43112 H ? A ? 73 H 1
   ATOM 1487 HA A SER A 74 ? 7.49891 35.28981 40.40098 0.549 25.12729 H ? A ? 73 HA 1
   ATOM 1488 HB2 A SER A 74 ? 9.55122 36.04889 40.74153 0.549 25.39869 H ? A ? 73 HB2 1
   ATOM 1489 HB3 A SER A 74 ? 9.63031 34.95002 39.59627 0.549 25.39869 H ? A ? 73 HB3 1
   ATOM 1490 HG A SER A 74 ? 10.77656 36.88950 39.24169 0.549 33.42380 H ? A ? 73 HG 1
   ATOM 1491 N B SER A 74 ? 7.05468 35.13880 38.49450 0.451 19.87557 N ? A ? 73 N 1
   ATOM 1492 CA B SER A 74 ? 7.30703 35.62076 39.86141 0.451 21.10941 C ? A ? 73 CA 1
   ATOM 1493 C B SER A 74 ? 6.69169 36.99099 40.06932 0.451 24.15403 C ? A ? 73 C 1
   ATOM 1494 O B SER A 74 ? 6.18464 37.28155 41.15933 0.451 25.03835 O ? A ? 73 O 1
   ATOM 1495 CB B SER A 74 ? 8.80334 35.56256 40.16025 0.451 23.41464 C ? A ? 73 CB 1
   ATOM 1496 OG B SER A 74 ? 9.57024 36.41752 39.35810 0.451 25.27946 O ? A ? 73 OG 1
   ATOM 1497 H B SER A 74 ? 7.71704 35.22627 37.95299 0.451 23.85068 H ? A ? 73 H 1
   ATOM 1498 HA B SER A 74 ? 6.89748 35.04024 40.52183 0.451 25.33130 H ? A ? 73 HA 1
   ATOM 1499 HB2 B SER A 74 ? 8.93853 35.81257 41.08768 0.451 28.09757 H ? A ? 73 HB2 1
   ATOM 1500 HB3 B SER A 74 ? 9.10788 34.65330 40.01398 0.451 28.09757 H ? A ? 73 HB3 1
   ATOM 1501 HG B SER A 74 ? 9.24752 37.19289 39.37424 0.451 30.33536 H ? A ? 73 HG 1
   ATOM 1502 N A ASP A 75 ? 6.65391 37.91660 38.91345 0.549 26.95428 N ? A ? 74 N 1
   ATOM 1503 CA A ASP A 75 ? 5.81236 39.10186 39.12222 0.549 34.88795 C ? A ? 74 CA 1
   ATOM 1504 C A ASP A 75 ? 4.63518 38.98718 38.14714 0.549 24.28252 C ? A ? 74 C 1
   ATOM 1505 O A ASP A 75 ? 4.55390 39.66271 37.13260 0.549 26.42403 O ? A ? 74 O 1
   ATOM 1506 CB A ASP A 75 ? 6.52813 40.43134 38.96398 0.549 43.04093 C ? A ? 74 CB 1
   ATOM 1507 CG A ASP A 75 ? 5.70646 41.62844 39.54077 0.549 34.45853 C ? A ? 74 CG 1
   ATOM 1508 OD1 A ASP A 75 ? 4.45725 41.54889 39.67498 0.549 21.77167 O ? A ? 74 OD1 1
   ATOM 1509 OD2 A ASP A 75 ? 6.32433 42.67326 39.81930 0.549 47.30339 O ? A ? 74 OD2 1
   ATOM 1510 H A ASP A 75 ? 6.77044 37.70665 38.08765 0.549 32.34514 H ? A ? 74 H 1
   ATOM 1511 HA A ASP A 75 ? 5.49964 39.07144 40.03993 0.549 41.86554 H ? A ? 74 HA 1
   ATOM 1512 HB2 A ASP A 75 ? 7.37494 40.39314 39.43553 0.549 51.64912 H ? A ? 74 HB2 1
   ATOM 1513 HB3 A ASP A 75 ? 6.68088 40.59842 38.02077 0.549 51.64912 H ? A ? 74 HB3 1
   ATOM 1514 N B ASP A 75 ? 6.61308 37.81826 39.01799 0.451 26.47891 N ? A ? 74 N 1
   ATOM 1515 CA B ASP A 75 ? 5.86273 39.06104 39.09553 0.451 34.85762 C ? A ? 74 CA 1
   ATOM 1516 C B ASP A 75 ? 4.67081 38.96838 38.13350 0.451 24.31401 C ? A ? 74 C 1
   ATOM 1517 O B ASP A 75 ? 4.63150 39.65186 37.11320 0.451 26.60913 O ? A ? 74 O 1
   ATOM 1518 CB B ASP A 75 ? 6.65076 40.45110 38.88915 0.451 42.90244 C ? A ? 74 CB 1
   ATOM 1519 CG B ASP A 75 ? 7.94439 40.32495 38.11861 0.451 36.06508 C ? A ? 74 CG 1
   ATOM 1520 OD1 B ASP A 75 ? 8.74740 39.45778 38.48042 0.451 39.27555 O ? A ? 74 OD1 1
   ATOM 1521 OD2 B ASP A 75 ? 8.20296 41.14908 37.21285 0.451 36.78285 O ? A ? 74 OD2 1
   ATOM 1522 H B ASP A 75 ? 6.98709 37.67397 38.25714 0.451 31.77469 H ? A ? 74 H 1
   ATOM 1523 HA B ASP A 75 ? 5.58760 39.08469 40.02539 0.451 41.82915 H ? A ? 74 HA 1
   ATOM 1524 HB2 B ASP A 75 ? 6.07748 41.06302 38.40150 0.451 51.48293 H ? A ? 74 HB2 1
   ATOM 1525 HB3 B ASP A 75 ? 6.86348 40.81927 39.76099 0.451 51.48293 H ? A ? 74 HB3 1
   ATOM 1526 N . ALA A 76 ? 3.64623 38.19170 38.50946 1.000 29.05766 N ? A ? 75 N 1
   ATOM 1527 CA . ALA A 76 ? 2.48755 38.04669 37.62739 1.000 28.06101 C ? A ? 75 CA 1
   ATOM 1528 C . ALA A 76 ? 1.76998 39.38014 37.38271 1.000 30.45729 C ? A ? 75 C 1
   ATOM 1529 O . ALA A 76 ? 1.31479 39.64116 36.26881 1.000 26.29693 O ? A ? 75 O 1
   ATOM 1530 CB . ALA A 76 ? 1.54305 37.01346 38.21732 1.000 33.45003 C ? A ? 75 CB 1
   ATOM 1531 HA . ALA A 76 ? 2.78834 37.73428 36.75974 1.000 33.67322 H ? A ? 75 HA 1
   ATOM 1532 HB1 . ALA A 76 ? 0.79307 36.89057 37.61455 1.000 40.14003 H ? A ? 75 HB1 1
   ATOM 1533 HB2 . ALA A 76 ? 2.01989 36.17592 38.32707 1.000 40.14003 H ? A ? 75 HB2 1
   ATOM 1534 HB3 . ALA A 76 ? 1.22713 37.32950 39.07826 1.000 40.14003 H ? A ? 75 HB3 1
   ATOM 1535 H A ALA A 76 ? 3.61472 37.73484 39.23739 0.549 34.86919 H ? A ? 75 H 1
   ATOM 1536 H B ALA A 76 ? 3.60054 37.75248 39.24743 0.451 34.86919 H ? A ? 75 H 1
   ATOM 1537 N . ALA A 77 ? 1.59488 40.22613 38.39439 1.000 31.05146 N ? A ? 76 N 1
   ATOM 1538 CA . ALA A 77 ? 0.82313 41.44293 38.10858 1.000 26.64248 C ? A ? 76 CA 1
   ATOM 1539 C . ALA A 77 ? 1.56387 42.35258 37.15875 1.000 22.61686 C ? A ? 76 C 1
   ATOM 1540 O . ALA A 77 ? 0.96157 43.02830 36.26611 1.000 24.13463 O ? A ? 76 O 1
   ATOM 1541 CB . ALA A 77 ? 0.53294 42.19113 39.42133 1.000 27.71832 C ? A ? 76 CB 1
   ATOM 1542 H . ALA A 77 ? 1.88831 40.13095 39.19716 1.000 37.26175 H ? A ? 76 H 1
   ATOM 1543 HA . ALA A 77 ? -0.02056 41.19331 37.70021 1.000 31.97098 H ? A ? 76 HA 1
   ATOM 1544 HB1 . ALA A 77 ? 0.04751 43.00632 39.21954 1.000 33.26198 H ? A ? 76 HB1 1
   ATOM 1545 HB2 . ALA A 77 ? -0.00101 41.62225 39.99767 1.000 33.26198 H ? A ? 76 HB2 1
   ATOM 1546 HB3 . ALA A 77 ? 1.37364 42.40553 39.85511 1.000 33.26198 H ? A ? 76 HB3 1
   ATOM 1547 N . SER A 78 ? 2.86159 42.36728 37.22531 1.000 22.45463 N ? A ? 77 N 1
   ATOM 1548 CA . SER A 78 ? 3.61082 43.21326 36.32641 1.000 25.09805 C ? A ? 77 CA 1
   ATOM 1549 C . SER A 78 ? 3.54753 42.69479 34.87936 1.000 22.88686 C ? A ? 77 C 1
   ATOM 1550 O . SER A 78 ? 3.40559 43.48459 33.94319 1.000 23.17631 O ? A ? 77 O 1
   ATOM 1551 CB . SER A 78 ? 5.03696 43.24336 36.79005 1.000 25.32108 C ? A ? 77 CB 1
   ATOM 1552 OG . SER A 78 ? 5.17780 44.17735 37.88249 1.000 34.52744 O ? A ? 77 OG 1
   ATOM 1553 H . SER A 78 ? 3.33645 41.90483 37.77326 1.000 26.94555 H ? A ? 77 H 1
   ATOM 1554 HA . SER A 78 ? 3.23868 44.10895 36.33826 1.000 30.11766 H ? A ? 77 HA 1
   ATOM 1555 HB2 . SER A 78 ? 5.29398 42.35787 37.09131 1.000 30.38530 H ? A ? 77 HB2 1
   ATOM 1556 HB3 . SER A 78 ? 5.60608 43.52213 36.05569 1.000 30.38530 H ? A ? 77 HB3 1
   ATOM 1557 HG . SER A 78 ? 5.98714 44.25107 38.09492 1.000 41.43293 H ? A ? 77 HG 1
   ATOM 1558 N . PHE A 79 ? 3.59739 41.38587 34.71459 1.000 22.65644 N ? A ? 78 N 1
   ATOM 1559 CA . PHE A 79 ? 3.50372 40.82467 33.37356 1.000 23.47042 C ? A ? 78 CA 1
   ATOM 1560 C . PHE A 79 ? 2.11477 41.08001 32.82803 1.000 22.95577 C ? A ? 78 C 1
   ATOM 1561 O . PHE A 79 ? 1.97094 41.46968 31.64914 1.000 19.77868 O ? A ? 78 O 1
   ATOM 1562 CB . PHE A 79 ? 3.77267 39.31862 33.43128 1.000 19.10033 C ? A ? 78 CB 1
   ATOM 1563 CG . PHE A 79 ? 3.80624 38.73309 32.04018 1.000 19.51297 C ? A ? 78 CG 1
   ATOM 1564 CD1 . PHE A 79 ? 4.86474 38.96420 31.17564 1.000 18.88201 C ? A ? 78 CD1 1
   ATOM 1565 CD2 . PHE A 79 ? 2.76273 37.97411 31.64434 1.000 20.55337 C ? A ? 78 CD2 1
   ATOM 1566 CE1 . PHE A 79 ? 4.83482 38.44478 29.79027 1.000 21.06542 C ? A ? 78 CE1 1
   ATOM 1567 CE2 . PHE A 79 ? 2.71644 37.42968 30.34787 1.000 21.50096 C ? A ? 78 CE2 1
   ATOM 1568 CZ . PHE A 79 ? 3.75614 37.66827 29.42300 1.000 20.99419 C ? A ? 78 CZ 1
   ATOM 1569 H . PHE A 79 ? 3.68317 40.80877 35.34642 1.000 27.18773 H ? A ? 78 H 1
   ATOM 1570 HA . PHE A 79 ? 4.16529 41.22818 32.79011 1.000 28.16451 H ? A ? 78 HA 1
   ATOM 1571 HB2 . PHE A 79 ? 4.63015 39.15837 33.85547 1.000 22.92039 H ? A ? 78 HB2 1
   ATOM 1572 HB3 . PHE A 79 ? 3.06714 38.88225 33.93398 1.000 22.92039 H ? A ? 78 HB3 1
   ATOM 1573 HD1 . PHE A 79 ? 5.60110 39.45055 31.46913 1.000 22.65841 H ? A ? 78 HD1 1
   ATOM 1574 HD2 . PHE A 79 ? 2.06495 37.80880 32.23652 1.000 24.66404 H ? A ? 78 HD2 1
   ATOM 1575 HE1 . PHE A 79 ? 5.51855 38.63513 29.18929 1.000 25.27851 H ? A ? 78 HE1 1
   ATOM 1576 HE2 . PHE A 79 ? 1.99072 36.90521 30.09655 1.000 25.80115 H ? A ? 78 HE2 1
   ATOM 1577 HZ . PHE A 79 ? 3.71364 37.30290 28.56884 1.000 25.19302 H ? A ? 78 HZ 1
   ATOM 1578 N . LYS A 80 ? 1.08311 40.90093 33.62982 1.000 21.10195 N ? A ? 79 N 1
   ATOM 1579 CA . LYS A 80 ? -0.30021 41.17736 33.22036 1.000 22.29605 C ? A ? 79 CA 1
   ATOM 1580 C . LYS A 80 ? -0.44961 42.62792 32.78065 1.000 24.46808 C ? A ? 79 C 1
   ATOM 1581 O . LYS A 80 ? -1.13335 42.93044 31.78592 1.000 20.74418 O ? A ? 79 O 1
   ATOM 1582 CB . LYS A 80 ? -1.28194 40.85137 34.36857 1.000 24.83731 C ? A ? 79 CB 1
   ATOM 1583 CG . LYS A 80 ? -2.73501 40.98953 33.97387 1.000 22.22485 C ? A ? 79 CG 1
   ATOM 1584 CD . LYS A 80 ? -3.65800 40.42317 35.03855 1.000 32.52022 C ? A ? 79 CD 1
   ATOM 1585 CE . LYS A 80 ? -5.10741 40.55367 34.69082 1.000 43.33228 C ? A ? 79 CE 1
   ATOM 1586 NZ . LYS A 80 ? -6.00258 40.23442 35.85813 1.000 56.72377 N ? A ? 79 NZ 1
   ATOM 1587 H . LYS A 80 ? 1.14621 40.61364 34.43796 1.000 25.32234 H ? A ? 79 H 1
   ATOM 1588 HA . LYS A 80 ? -0.52453 40.60247 32.47198 1.000 26.75526 H ? A ? 79 HA 1
   ATOM 1589 HB2 . LYS A 80 ? -1.13685 39.93580 34.65417 1.000 29.80477 H ? A ? 79 HB2 1
   ATOM 1590 HB3 . LYS A 80 ? -1.11465 41.45929 35.10569 1.000 29.80477 H ? A ? 79 HB3 1
   ATOM 1591 HG2 . LYS A 80 ? -2.94752 41.92840 33.85441 1.000 26.66982 H ? A ? 79 HG2 1
   ATOM 1592 HG3 . LYS A 80 ? -2.89065 40.50637 33.14728 1.000 26.66982 H ? A ? 79 HG3 1
   ATOM 1593 HD2 . LYS A 80 ? -3.46338 39.48004 35.15482 1.000 39.02427 H ? A ? 79 HD2 1
   ATOM 1594 HD3 . LYS A 80 ? -3.50750 40.89804 35.87087 1.000 39.02427 H ? A ? 79 HD3 1
   ATOM 1595 HE2 . LYS A 80 ? -5.28739 41.46526 34.41241 1.000 51.99874 H ? A ? 79 HE2 1
   ATOM 1596 HE3 . LYS A 80 ? -5.31887 39.93900 33.97085 1.000 51.99874 H ? A ? 79 HE3 1
   ATOM 1597 HZ1 . LYS A 80 ? -6.85554 40.32991 35.62267 1.000 68.06853 H ? A ? 79 HZ1 1
   ATOM 1598 HZ2 . LYS A 80 ? -5.86852 39.39574 36.12410 1.000 68.06853 H ? A ? 79 HZ2 1
   ATOM 1599 HZ3 . LYS A 80 ? -5.82675 40.78393 36.53579 1.000 68.06853 H ? A ? 79 HZ3 1
   ATOM 1600 N . GLN A 81 ? 0.07042 43.57461 33.57033 1.000 22.00717 N ? A ? 80 N 1
   ATOM 1601 CA . GLN A 81 ? 0.07668 44.97282 33.16615 1.000 22.32069 C ? A ? 80 CA 1
   ATOM 1602 C . GLN A 81 ? 0.61984 45.12490 31.76294 1.000 22.21389 C ? A ? 80 C 1
   ATOM 1603 O . GLN A 81 ? 0.08875 45.91404 30.96345 1.000 20.32040 O ? A ? 80 O 1
   ATOM 1604 CB . GLN A 81 ? 0.85972 45.86404 34.17698 1.000 22.61294 C ? A ? 80 CB 1
   ATOM 1605 CG . GLN A 81 ? 0.09430 46.19701 35.43259 1.000 35.31610 C ? A ? 80 CG 1
   ATOM 1606 CD . GLN A 81 ? -1.15087 47.09411 35.25039 1.000 55.84339 C ? A ? 80 CD 1
   ATOM 1607 OE1 . GLN A 81 ? -1.13053 48.16081 34.57480 1.000 30.38380 O ? A ? 80 OE1 1
   ATOM 1608 NE2 . GLN A 81 ? -2.24348 46.66986 35.88715 1.000 50.60991 N ? A ? 80 NE2 1
   ATOM 1609 H . GLN A 81 ? 0.42314 43.42879 34.34100 1.000 26.40861 H ? A ? 80 H 1
   ATOM 1610 HA . GLN A 81 ? -0.83906 45.29249 33.17760 1.000 26.78483 H ? A ? 80 HA 1
   ATOM 1611 HB2 . GLN A 81 ? 1.66779 45.39669 34.44063 1.000 27.13552 H ? A ? 80 HB2 1
   ATOM 1612 HB3 . GLN A 81 ? 1.08728 46.70017 33.74108 1.000 27.13552 H ? A ? 80 HB3 1
   ATOM 1613 HG2 . GLN A 81 ? -0.20770 45.36672 35.83297 1.000 42.37932 H ? A ? 80 HG2 1
   ATOM 1614 HG3 . GLN A 81 ? 0.69336 46.65934 36.03946 1.000 42.37932 H ? A ? 80 HG3 1
   ATOM 1615 HE21 . GLN A 81 ? -2.21636 45.94761 36.35323 1.000 60.73190 H ? A ? 80 HE21 1
   ATOM 1616 HE22 . GLN A 81 ? -2.97503 47.11857 35.83162 1.000 60.73190 H ? A ? 80 HE22 1
   ATOM 1617 N . LYS A 82 ? 1.79719 44.52684 31.47649 1.000 20.84003 N ? A ? 81 N 1
   ATOM 1618 CA . LYS A 82 ? 2.44312 44.65995 30.18661 1.000 22.35928 C ? A ? 81 CA 1
   ATOM 1619 C . LYS A 82 ? 1.58020 44.11397 29.04492 1.000 17.63161 C ? A ? 81 C 1
   ATOM 1620 O . LYS A 82 ? 1.44855 44.80114 28.03237 1.000 19.51020 O ? A ? 81 O 1
   ATOM 1621 CB . LYS A 82 ? 3.88634 44.07936 30.19964 1.000 23.09335 C ? A ? 81 CB 1
   ATOM 1622 CG . LYS A 82 ? 4.94321 45.04166 30.85718 1.000 21.85647 C ? A ? 81 CG 1
   ATOM 1623 CD . LYS A 82 ? 6.23200 44.86050 30.10277 1.000 29.06366 C ? A ? 81 CD 1
   ATOM 1624 CE . LYS A 82 ? 7.05406 46.05531 29.97545 1.000 40.23627 C ? A ? 81 CE 1
   ATOM 1625 NZ . LYS A 82 ? 7.36164 46.57135 31.27872 1.000 28.13719 N ? A ? 81 NZ 1
   ATOM 1626 H . LYS A 82 ? 2.23616 44.03536 32.02908 1.000 25.00804 H ? A ? 81 H 1
   ATOM 1627 HA . LYS A 82 ? 2.55408 45.60654 30.00617 1.000 26.83114 H ? A ? 81 HA 1
   ATOM 1628 HB2 . LYS A 82 ? 3.88549 43.25021 30.70304 1.000 27.71202 H ? A ? 81 HB2 1
   ATOM 1629 HB3 . LYS A 82 ? 4.16461 43.91223 29.28556 1.000 27.71202 H ? A ? 81 HB3 1
   ATOM 1630 HG2 . LYS A 82 ? 4.65238 45.96414 30.78402 1.000 26.22777 H ? A ? 81 HG2 1
   ATOM 1631 HG3 . LYS A 82 ? 5.07845 44.80936 31.78920 1.000 26.22777 H ? A ? 81 HG3 1
   ATOM 1632 HD2 . LYS A 82 ? 6.76428 44.19199 30.56177 1.000 34.87639 H ? A ? 81 HD2 1
   ATOM 1633 HD3 . LYS A 82 ? 6.02176 44.55831 29.20534 1.000 34.87639 H ? A ? 81 HD3 1
   ATOM 1634 HE2 . LYS A 82 ? 7.88321 45.83625 29.52221 1.000 48.28353 H ? A ? 81 HE2 1
   ATOM 1635 HE3 . LYS A 82 ? 6.57228 46.73334 29.47639 1.000 48.28353 H ? A ? 81 HE3 1
   ATOM 1636 HZ1 . LYS A 82 ? 6.61192 46.69319 31.74260 1.000 33.76462 H ? A ? 81 HZ1 1
   ATOM 1637 HZ2 . LYS A 82 ? 7.88299 45.99887 31.71754 1.000 33.76462 H ? A ? 81 HZ2 1
   ATOM 1638 HZ3 . LYS A 82 ? 7.78574 47.35036 31.20536 1.000 33.76462 H ? A ? 81 HZ3 1
   ATOM 1639 N A GLN A 83 ? 0.97319 42.95190 29.21484 0.947 18.32262 N ? A ? 82 N 1
   ATOM 1640 CA A GLN A 83 ? 0.12801 42.40564 28.12082 0.947 19.25896 C ? A ? 82 CA 1
   ATOM 1641 C A GLN A 83 ? -1.13259 43.21076 27.97113 0.947 17.98958 C ? A ? 82 C 1
   ATOM 1642 O A GLN A 83 ? -1.60622 43.42150 26.83781 0.947 17.52207 O ? A ? 82 O 1
   ATOM 1643 CB A GLN A 83 ? -0.13866 40.88082 28.24430 0.947 18.03085 C ? A ? 82 CB 1
   ATOM 1644 CG A GLN A 83 ? -0.87888 40.36224 29.44804 0.947 19.23587 C ? A ? 82 CG 1
   ATOM 1645 CD A GLN A 83 ? -2.34870 40.22870 29.26711 0.947 19.49434 C ? A ? 82 CD 1
   ATOM 1646 OE1 A GLN A 83 ? -2.96926 40.85401 28.43631 0.947 20.32146 O ? A ? 82 OE1 1
   ATOM 1647 NE2 A GLN A 83 ? -2.94794 39.43344 30.15115 0.947 23.80113 N ? A ? 82 NE2 1
   ATOM 1648 H A GLN A 83 ? 1.02089 42.46356 29.92113 0.947 21.98715 H ? A ? 82 H 1
   ATOM 1649 HA A GLN A 83 ? 0.63239 42.47909 27.29553 0.947 23.11075 H ? A ? 82 HA 1
   ATOM 1650 HB2 A GLN A 83 ? -0.65615 40.61233 27.46905 0.947 21.63702 H ? A ? 82 HB2 1
   ATOM 1651 HB3 A GLN A 83 ? 0.72213 40.43369 28.23965 0.947 21.63702 H ? A ? 82 HB3 1
   ATOM 1652 HG2 A GLN A 83 ? -0.53167 39.48373 29.66841 0.947 23.08304 H ? A ? 82 HG2 1
   ATOM 1653 HG3 A GLN A 83 ? -0.73081 40.97252 30.18733 0.947 23.08304 H ? A ? 82 HG3 1
   ATOM 1654 HE21 A GLN A 83 ? -2.48526 39.04574 30.76370 0.947 28.56136 H ? A ? 82 HE21 1
   ATOM 1655 HE22 A GLN A 83 ? -3.79766 39.30750 30.10956 0.947 28.56136 H ? A ? 82 HE22 1
   ATOM 1656 N B GLN A 83 ? 0.96146 42.94708 29.20794 0.053 18.34885 N ? A ? 82 N 1
   ATOM 1657 CA B GLN A 83 ? 0.15239 42.40835 28.11927 0.053 19.06345 C ? A ? 82 CA 1
   ATOM 1658 C B GLN A 83 ? -1.15873 43.16712 27.97515 0.053 18.01121 C ? A ? 82 C 1
   ATOM 1659 O B GLN A 83 ? -1.68556 43.28117 26.86673 0.053 17.58758 O ? A ? 82 O 1
   ATOM 1660 CB B GLN A 83 ? -0.09990 40.92198 28.33994 0.053 18.17973 C ? A ? 82 CB 1
   ATOM 1661 CG B GLN A 83 ? -1.44544 40.61794 28.94416 0.053 19.46362 C ? A ? 82 CG 1
   ATOM 1662 CD B GLN A 83 ? -1.44964 39.29084 29.65085 0.053 20.46073 C ? A ? 82 CD 1
   ATOM 1663 OE1 B GLN A 83 ? -0.39934 38.66865 29.81769 0.053 18.75553 O ? A ? 82 OE1 1
   ATOM 1664 NE2 B GLN A 83 ? -2.62632 38.83841 30.06831 0.053 22.33794 N ? A ? 82 NE2 1
   ATOM 1665 H B GLN A 83 ? 0.99260 42.46178 29.91724 0.053 22.01862 H ? A ? 82 H 1
   ATOM 1666 HA B GLN A 83 ? 0.63997 42.49971 27.28571 0.053 22.87614 H ? A ? 82 HA 1
   ATOM 1667 HB2 B GLN A 83 ? -0.04967 40.46690 27.48479 0.053 21.81568 H ? A ? 82 HB2 1
   ATOM 1668 HB3 B GLN A 83 ? 0.57916 40.57623 28.94013 0.053 21.81568 H ? A ? 82 HB3 1
   ATOM 1669 HG2 B GLN A 83 ? -1.67007 41.30699 29.58888 0.053 23.35635 H ? A ? 82 HG2 1
   ATOM 1670 HG3 B GLN A 83 ? -2.11338 40.59080 28.24130 0.053 23.35635 H ? A ? 82 HG3 1
   ATOM 1671 HE21 B GLN A 83 ? -3.33840 39.30023 29.92957 0.053 26.80552 H ? A ? 82 HE21 1
   ATOM 1672 HE22 B GLN A 83 ? -2.67624 38.08359 30.47740 0.053 26.80552 H ? A ? 82 HE22 1
   ATOM 1673 N . GLN A 84 ? -1.70089 43.70159 29.07160 1.000 18.95100 N ? A ? 83 N 1
   ATOM 1674 CA . GLN A 84 ? -2.94167 44.45702 28.96389 1.000 18.74266 C ? A ? 83 CA 1
   ATOM 1675 C . GLN A 84 ? -2.67461 45.81236 28.36684 1.000 18.07591 C ? A ? 83 C 1
   ATOM 1676 O . GLN A 84 ? -3.49002 46.33162 27.58662 1.000 19.79287 O ? A ? 83 O 1
   ATOM 1677 CB . GLN A 84 ? -3.58676 44.66100 30.34834 1.000 19.74216 C ? A ? 83 CB 1
   ATOM 1678 CG . GLN A 84 ? -4.20026 43.46492 30.86358 1.000 20.55518 C ? A ? 83 CG 1
   ATOM 1679 CD . GLN A 84 ? -5.49985 43.14042 30.18080 1.000 27.78169 C ? A ? 83 CD 1
   ATOM 1680 OE1 . GLN A 84 ? -6.52339 43.85469 30.36323 1.000 30.45482 O ? A ? 83 OE1 1
   ATOM 1681 NE2 . GLN A 84 ? -5.48885 42.08502 29.34601 1.000 26.02309 N ? A ? 83 NE2 1
   ATOM 1682 HA . GLN A 84 ? -3.55390 43.95115 28.40696 1.000 22.49120 H ? A ? 83 HA 1
   ATOM 1683 HB2 . GLN A 84 ? -2.90262 44.94115 30.97632 1.000 23.69060 H ? A ? 83 HB2 1
   ATOM 1684 HB3 . GLN A 84 ? -4.27264 45.34336 30.27870 1.000 23.69060 H ? A ? 83 HB3 1
   ATOM 1685 HG2 . GLN A 84 ? -3.59656 42.71731 30.73124 1.000 24.66622 H ? A ? 83 HG2 1
   ATOM 1686 HG3 . GLN A 84 ? -4.37932 43.58333 31.80953 1.000 24.66622 H ? A ? 83 HG3 1
   ATOM 1687 HE21 . GLN A 84 ? -4.76386 41.63778 29.22783 1.000 31.22771 H ? A ? 83 HE21 1
   ATOM 1688 HE22 . GLN A 84 ? -6.20681 41.85777 28.93069 1.000 31.22771 H ? A ? 83 HE22 1
   ATOM 1689 H A GLN A 84 ? -1.39530 43.61283 29.87056 0.947 22.74120 H ? A ? 83 H 1
   ATOM 1690 H B GLN A 84 ? -1.37718 43.64148 29.86608 0.053 22.74120 H ? A ? 83 H 1
   ATOM 1691 N . ALA A 85 ? -1.54057 46.43569 28.67533 1.000 17.70533 N ? A ? 84 N 1
   ATOM 1692 CA . ALA A 85 ? -1.17684 47.67267 28.05431 1.000 19.12917 C ? A ? 84 CA 1
   ATOM 1693 C . ALA A 85 ? -0.98950 47.43949 26.58545 1.000 17.61571 C ? A ? 84 C 1
   ATOM 1694 O . ALA A 85 ? -1.36601 48.27961 25.76460 1.000 19.14809 O ? A ? 84 O 1
   ATOM 1695 CB . ALA A 85 ? 0.11162 48.25937 28.63750 1.000 22.87077 C ? A ? 84 CB 1
   ATOM 1696 H . ALA A 85 ? -0.96713 46.14952 29.24880 1.000 21.24640 H ? A ? 84 H 1
   ATOM 1697 HA . ALA A 85 ? -1.88126 48.31736 28.22479 1.000 22.95501 H ? A ? 84 HA 1
   ATOM 1698 HB1 . ALA A 85 ? 0.31966 49.08630 28.17511 1.000 27.44493 H ? A ? 84 HB1 1
   ATOM 1699 HB2 . ALA A 85 ? -0.01999 48.43302 29.58272 1.000 27.44493 H ? A ? 84 HB2 1
   ATOM 1700 HB3 . ALA A 85 ? 0.83242 47.62183 28.51554 1.000 27.44493 H ? A ? 84 HB3 1
   ATOM 1701 N . PHE A 86 ? -0.22494 46.42360 26.28139 1.000 19.13633 N ? A ? 85 N 1
   ATOM 1702 CA . PHE A 86 ? -0.04593 46.08686 24.85206 1.000 18.83609 C ? A ? 85 CA 1
   ATOM 1703 C . PHE A 86 ? -1.36808 45.93503 24.12294 1.000 17.51233 C ? A ? 85 C 1
   ATOM 1704 O . PHE A 86 ? -1.57134 46.52019 23.06969 1.000 17.01608 O ? A ? 85 O 1
   ATOM 1705 CB . PHE A 86 ? 0.80264 44.80385 24.72294 1.000 16.72590 C ? A ? 85 CB 1
   ATOM 1706 CG . PHE A 86 ? 0.70204 44.18528 23.35811 1.000 16.90278 C ? A ? 85 CG 1
   ATOM 1707 CD1 . PHE A 86 ? 1.30883 44.77644 22.26193 1.000 20.20776 C ? A ? 85 CD1 1
   ATOM 1708 CD2 . PHE A 86 ? -0.01780 43.00322 23.13543 1.000 18.63561 C ? A ? 85 CD2 1
   ATOM 1709 CE1 . PHE A 86 ? 1.13025 44.20550 21.00776 1.000 19.13195 C ? A ? 85 CE1 1
   ATOM 1710 CE2 . PHE A 86 ? -0.12780 42.39529 21.86105 1.000 19.95845 C ? A ? 85 CE2 1
   ATOM 1711 CZ . PHE A 86 ? 0.42725 43.05669 20.85527 1.000 16.55076 C ? A ? 85 CZ 1
   ATOM 1712 H . PHE A 86 ? 0.19225 45.92215 26.84184 1.000 22.96360 H ? A ? 85 H 1
   ATOM 1713 HA . PHE A 86 ? 0.42951 46.81711 24.42592 1.000 22.60331 H ? A ? 85 HA 1
   ATOM 1714 HB2 . PHE A 86 ? 1.73345 45.02149 24.88767 1.000 20.07108 H ? A ? 85 HB2 1
   ATOM 1715 HB3 . PHE A 86 ? 0.49411 44.15300 25.37264 1.000 20.07108 H ? A ? 85 HB3 1
   ATOM 1716 HD1 . PHE A 86 ? 1.82671 45.54216 22.36371 1.000 24.24931 H ? A ? 85 HD1 1
   ATOM 1717 HD2 . PHE A 86 ? -0.44261 42.59971 23.85766 1.000 22.36273 H ? A ? 85 HD2 1
   ATOM 1718 HE1 . PHE A 86 ? 1.49920 44.61845 20.26059 1.000 22.95834 H ? A ? 85 HE1 1
   ATOM 1719 HE2 . PHE A 86 ? -0.56248 41.58246 21.73752 1.000 23.95014 H ? A ? 85 HE2 1
   ATOM 1720 HZ . PHE A 86 ? 0.32878 42.71316 19.99667 1.000 19.86091 H ? A ? 85 HZ 1
   ATOM 1721 N A GLN A 87 ? -2.32087 45.20296 24.69665 0.786 16.56573 N ? A ? 86 N 1
   ATOM 1722 CA A GLN A 87 ? -3.60250 45.04288 24.03508 0.786 16.09013 C ? A ? 86 CA 1
   ATOM 1723 C A GLN A 87 ? -4.35151 46.35705 23.92873 0.786 17.50231 C ? A ? 86 C 1
   ATOM 1724 O A GLN A 87 ? -5.01796 46.58148 22.89281 0.786 16.88816 O ? A ? 86 O 1
   ATOM 1725 CB A GLN A 87 ? -4.45300 43.97755 24.71925 0.786 18.90156 C ? A ? 86 CB 1
   ATOM 1726 CG A GLN A 87 ? -3.88588 42.54956 24.56548 0.786 17.46373 C ? A ? 86 CG 1
   ATOM 1727 CD A GLN A 87 ? -4.89717 41.47745 24.87294 0.786 16.39766 C ? A ? 86 CD 1
   ATOM 1728 OE1 A GLN A 87 ? -5.82858 41.25619 24.14698 0.786 17.23612 O ? A ? 86 OE1 1
   ATOM 1729 NE2 A GLN A 87 ? -4.73914 40.79679 25.97899 0.786 16.10530 N ? A ? 86 NE2 1
   ATOM 1730 H A GLN A 87 ? -2.24844 44.79876 25.45228 0.786 19.87887 H ? A ? 86 H 1
   ATOM 1731 HA A GLN A 87 ? -3.43570 44.72560 23.13375 0.786 19.30816 H ? A ? 86 HA 1
   ATOM 1732 HB2 A GLN A 87 ? -4.50313 44.17765 25.66706 0.786 22.68187 H ? A ? 86 HB2 1
   ATOM 1733 HB3 A GLN A 87 ? -5.34157 43.98860 24.33039 0.786 22.68187 H ? A ? 86 HB3 1
   ATOM 1734 HG2 A GLN A 87 ? -3.58806 42.42574 23.65067 0.786 20.95647 H ? A ? 86 HG2 1
   ATOM 1735 HG3 A GLN A 87 ? -3.13944 42.43975 25.17513 0.786 20.95647 H ? A ? 86 HG3 1
   ATOM 1736 HE21 A GLN A 87 ? -4.07624 40.96924 26.49902 0.786 19.32636 H ? A ? 86 HE21 1
   ATOM 1737 HE22 A GLN A 87 ? -5.29815 40.17692 26.18602 0.786 19.32636 H ? A ? 86 HE22 1
   ATOM 1738 N B GLN A 87 ? -2.31799 45.20394 24.69628 0.214 16.69697 N ? A ? 86 N 1
   ATOM 1739 CA B GLN A 87 ? -3.60432 45.02967 24.03055 0.214 16.14893 C ? A ? 86 CA 1
   ATOM 1740 C B GLN A 87 ? -4.41978 46.31454 23.97863 0.214 17.34825 C ? A ? 86 C 1
   ATOM 1741 O B GLN A 87 ? -5.26709 46.44783 23.08424 0.214 18.84266 O ? A ? 86 O 1
   ATOM 1742 CB B GLN A 87 ? -4.37555 43.90027 24.70611 0.214 18.95336 C ? A ? 86 CB 1
   ATOM 1743 CG B GLN A 87 ? -3.70688 42.54369 24.52997 0.214 17.45665 C ? A ? 86 CG 1
   ATOM 1744 CD B GLN A 87 ? -4.44544 41.45430 25.25500 0.214 16.59161 C ? A ? 86 CD 1
   ATOM 1745 OE1 B GLN A 87 ? -5.48186 41.00147 24.78911 0.214 23.76012 O ? A ? 86 OE1 1
   ATOM 1746 NE2 B GLN A 87 ? -3.94888 41.07224 26.43051 0.214 19.39742 N ? A ? 86 NE2 1
   ATOM 1747 H B GLN A 87 ? -2.24525 44.80583 25.45511 0.214 20.03636 H ? A ? 86 H 1
   ATOM 1748 HA B GLN A 87 ? -3.45767 44.76797 23.10811 0.214 19.37871 H ? A ? 86 HA 1
   ATOM 1749 HB2 B GLN A 87 ? -4.43663 44.08404 25.65658 0.214 22.74404 H ? A ? 86 HB2 1
   ATOM 1750 HB3 B GLN A 87 ? -5.26405 43.84971 24.32022 0.214 22.74404 H ? A ? 86 HB3 1
   ATOM 1751 HG2 B GLN A 87 ? -3.68460 42.31901 23.58661 0.214 20.94798 H ? A ? 86 HG2 1
   ATOM 1752 HG3 B GLN A 87 ? -2.80420 42.58469 24.88265 0.214 20.94798 H ? A ? 86 HG3 1
   ATOM 1753 HE21 B GLN A 87 ? -3.23844 41.44593 26.73912 0.214 23.27691 H ? A ? 86 HE21 1
   ATOM 1754 HE22 B GLN A 87 ? -4.33873 40.45189 26.88083 0.214 23.27691 H ? A ? 86 HE22 1
   ATOM 1755 N . ASP A 88 ? -4.15401 47.27304 24.85360 1.000 16.74971 N ? A ? 87 N 1
   ATOM 1756 CA . ASP A 88 ? -4.72139 48.59936 24.76138 1.000 18.50942 C ? A ? 87 CA 1
   ATOM 1757 C . ASP A 88 ? -4.08680 49.43117 23.66666 1.000 17.94695 C ? A ? 87 C 1
   ATOM 1758 O . ASP A 88 ? -4.78508 50.18686 22.95268 1.000 18.82069 O ? A ? 87 O 1
   ATOM 1759 CB . ASP A 88 ? -4.72674 49.23658 26.14883 1.000 19.04310 C ? A ? 87 CB 1
   ATOM 1760 CG . ASP A 88 ? -5.92648 48.72617 26.99098 1.000 19.89324 C ? A ? 87 CG 1
   ATOM 1761 OD1 . ASP A 88 ? -6.92923 48.16238 26.41556 1.000 26.57624 O ? A ? 87 OD1 1
   ATOM 1762 OD2 . ASP A 88 ? -5.96075 49.06500 28.10332 1.000 26.06094 O ? A ? 87 OD2 1
   ATOM 1763 HA . ASP A 88 ? -5.65369 48.56283 24.49610 1.000 22.21130 H ? A ? 87 HA 1
   ATOM 1764 HB2 . ASP A 88 ? -3.90616 49.00731 26.61249 1.000 22.85173 H ? A ? 87 HB2 1
   ATOM 1765 HB3 . ASP A 88 ? -4.80036 50.19982 26.06136 1.000 22.85173 H ? A ? 87 HB3 1
   ATOM 1766 H A ASP A 88 ? -3.68363 47.15022 25.56301 0.786 20.09965 H ? A ? 87 H 1
   ATOM 1767 H B ASP A 88 ? -3.63164 47.17474 25.52967 0.214 20.09965 H ? A ? 87 H 1
   ATOM 1768 N . ASN A 89 ? -2.78612 49.24795 23.39539 1.000 18.34262 N ? A ? 88 N 1
   ATOM 1769 CA . ASN A 89 ? -2.17160 49.85704 22.24383 1.000 17.63396 C ? A ? 88 CA 1
   ATOM 1770 C . ASN A 89 ? -2.83282 49.31329 20.98160 1.000 18.51010 C ? A ? 88 C 1
   ATOM 1771 O . ASN A 89 ? -3.02910 50.03453 20.00075 1.000 19.73397 O ? A ? 88 O 1
   ATOM 1772 CB . ASN A 89 ? -0.64814 49.63144 22.21335 1.000 18.11684 C ? A ? 88 CB 1
   ATOM 1773 CG . ASN A 89 ? 0.17229 50.55317 23.29349 1.000 20.67174 C ? A ? 88 CG 1
   ATOM 1774 OD1 . ASN A 89 ? 0.82991 51.48864 22.86504 1.000 27.93071 O ? A ? 88 OD1 1
   ATOM 1775 ND2 . ASN A 89 ? 0.00457 50.36393 24.61079 1.000 24.38220 N ? A ? 88 ND2 1
   ATOM 1776 H . ASN A 89 ? -2.24954 48.77304 23.87095 1.000 22.01114 H ? A ? 88 H 1
   ATOM 1777 HA . ASN A 89 ? -2.28995 50.81864 22.29111 1.000 21.16075 H ? A ? 88 HA 1
   ATOM 1778 HB2 . ASN A 89 ? -0.46527 48.70109 22.41807 1.000 21.74021 H ? A ? 88 HB2 1
   ATOM 1779 HB3 . ASN A 89 ? -0.31732 49.84743 21.32746 1.000 21.74021 H ? A ? 88 HB3 1
   ATOM 1780 HD21 . ASN A 89 ? 0.43697 50.84973 25.17349 1.000 29.25864 H ? A ? 88 HD21 1
   ATOM 1781 HD22 . ASN A 89 ? -0.53537 49.75680 24.89267 1.000 29.25864 H ? A ? 88 HD22 1
   ATOM 1782 N . ILE A 90 ? -3.05498 47.99688 20.92552 1.000 16.40435 N ? A ? 89 N 1
   ATOM 1783 CA . ILE A 90 ? -3.76690 47.40106 19.77809 1.000 17.19283 C ? A ? 89 CA 1
   ATOM 1784 C . ILE A 90 ? -5.14808 48.00747 19.61832 1.000 16.80360 C ? A ? 89 C 1
   ATOM 1785 O . ILE A 90 ? -5.57195 48.25470 18.47164 1.000 18.40307 O ? A ? 89 O 1
   ATOM 1786 CB . ILE A 90 ? -3.78806 45.85992 19.89937 1.000 18.21917 C ? A ? 89 CB 1
   ATOM 1787 CG1 . ILE A 90 ? -2.41436 45.23418 19.83431 1.000 18.84637 C ? A ? 89 CG1 1
   ATOM 1788 CG2 . ILE A 90 ? -4.68251 45.24840 18.81638 1.000 17.98847 C ? A ? 89 CG2 1
   ATOM 1789 CD1 . ILE A 90 ? -1.77248 45.29396 18.43392 1.000 19.47184 C ? A ? 89 CD1 1
   ATOM 1790 H . ILE A 90 ? -2.81029 47.43152 21.52561 1.000 19.68522 H ? A ? 89 H 1
   ATOM 1791 HA . ILE A 90 ? -3.28020 47.61065 18.96563 1.000 20.63139 H ? A ? 89 HA 1
   ATOM 1792 HB . ILE A 90 ? -4.14726 45.66814 20.77977 1.000 21.86301 H ? A ? 89 HB 1
   ATOM 1793 HG12 . ILE A 90 ? -1.82843 45.70275 20.44915 1.000 22.61565 H ? A ? 89 HG12 1
   ATOM 1794 HG13 . ILE A 90 ? -2.48413 44.30075 20.08876 1.000 22.61565 H ? A ? 89 HG13 1
   ATOM 1795 HG21 . ILE A 90 ? -4.52443 44.29209 18.77909 1.000 21.58617 H ? A ? 89 HG21 1
   ATOM 1796 HG22 . ILE A 90 ? -5.61071 45.42182 19.03834 1.000 21.58617 H ? A ? 89 HG22 1
   ATOM 1797 HG23 . ILE A 90 ? -4.46554 45.65309 17.96195 1.000 21.58617 H ? A ? 89 HG23 1
   ATOM 1798 HD11 . ILE A 90 ? -0.88558 44.90341 18.47610 1.000 23.36621 H ? A ? 89 HD11 1
   ATOM 1799 HD12 . ILE A 90 ? -2.32452 44.79469 17.81192 1.000 23.36621 H ? A ? 89 HD12 1
   ATOM 1800 HD13 . ILE A 90 ? -1.71288 46.22052 18.15313 1.000 23.36621 H ? A ? 89 HD13 1
   ATOM 1801 N . VAL A 91 ? -5.83954 48.37696 20.69475 1.000 18.59585 N ? A ? 90 N 1
   ATOM 1802 CA . VAL A 91 ? -7.13603 49.00247 20.56136 1.000 20.21947 C ? A ? 90 CA 1
   ATOM 1803 C . VAL A 91 ? -6.98396 50.32628 19.81329 1.000 20.01469 C ? A ? 90 C 1
   ATOM 1804 O . VAL A 91 ? -7.82861 50.70010 18.98010 1.000 18.19264 O ? A ? 90 O 1
   ATOM 1805 CB . VAL A 91 ? -7.82425 49.16677 21.93015 1.000 17.57161 C ? A ? 90 CB 1
   ATOM 1806 CG1 . VAL A 91 ? -9.04758 49.96824 21.77132 1.000 18.72734 C ? A ? 90 CG1 1
   ATOM 1807 CG2 . VAL A 91 ? -8.22454 47.79255 22.57033 1.000 21.18402 C ? A ? 90 CG2 1
   ATOM 1808 H . VAL A 91 ? -5.57573 48.27423 21.50681 1.000 22.31501 H ? A ? 90 H 1
   ATOM 1809 HA . VAL A 91 ? -7.71341 48.42301 20.04006 1.000 24.26336 H ? A ? 90 HA 1
   ATOM 1810 HB . VAL A 91 ? -7.19068 49.60327 22.52087 1.000 21.08593 H ? A ? 90 HB 1
   ATOM 1811 HG11 . VAL A 91 ? -9.57827 49.89818 22.58025 1.000 22.47281 H ? A ? 90 HG11 1
   ATOM 1812 HG12 . VAL A 91 ? -8.80104 50.89353 21.61655 1.000 22.47281 H ? A ? 90 HG12 1
   ATOM 1813 HG13 . VAL A 91 ? -9.55128 49.62916 21.01487 1.000 22.47281 H ? A ? 90 HG13 1
   ATOM 1814 HG21 . VAL A 91 ? -8.46044 47.93425 23.50048 1.000 25.42082 H ? A ? 90 HG21 1
   ATOM 1815 HG22 . VAL A 91 ? -8.98362 47.42877 22.08829 1.000 25.42082 H ? A ? 90 HG22 1
   ATOM 1816 HG23 . VAL A 91 ? -7.47143 47.18430 22.50904 1.000 25.42082 H ? A ? 90 HG23 1
   ATOM 1817 N . LYS A 92 ? -5.93296 51.05228 20.11454 1.000 19.60264 N ? A ? 91 N 1
   ATOM 1818 CA . LYS A 92 ? -5.72899 52.34187 19.48246 1.000 17.39163 C ? A ? 91 CA 1
   ATOM 1819 C . LYS A 92 ? -5.48260 52.12993 18.00627 1.000 16.05221 C ? A ? 91 C 1
   ATOM 1820 O . LYS A 92 ? -5.98757 52.88879 17.14702 1.000 17.54661 O ? A ? 91 O 1
   ATOM 1821 CB . LYS A 92 ? -4.56662 53.10326 20.12586 1.000 16.83340 C ? A ? 91 CB 1
   ATOM 1822 CG . LYS A 92 ? -4.49917 54.53180 19.63751 1.000 21.60598 C ? A ? 91 CG 1
   ATOM 1823 CD . LYS A 92 ? -3.51613 55.46474 20.45861 1.000 21.56146 C ? A ? 91 CD 1
   ATOM 1824 CE . LYS A 92 ? -2.11651 55.23468 20.00925 1.000 29.06746 C ? A ? 91 CE 1
   ATOM 1825 NZ . LYS A 92 ? -1.11434 56.09781 20.81422 1.000 25.96282 N ? A ? 91 NZ 1
   ATOM 1826 H . LYS A 92 ? -5.32309 50.82755 20.67771 1.000 23.52316 H ? A ? 91 H 1
   ATOM 1827 HA . LYS A 92 ? -6.51571 52.89465 19.61052 1.000 20.86996 H ? A ? 91 HA 1
   ATOM 1828 HB2 . LYS A 92 ? -4.68546 53.11501 21.08848 1.000 20.20008 H ? A ? 91 HB2 1
   ATOM 1829 HB3 . LYS A 92 ? -3.73196 52.66370 19.89997 1.000 20.20008 H ? A ? 91 HB3 1
   ATOM 1830 HG2 . LYS A 92 ? -4.19706 54.52961 18.71576 1.000 25.92717 H ? A ? 91 HG2 1
   ATOM 1831 HG3 . LYS A 92 ? -5.38601 54.92052 19.69505 1.000 25.92717 H ? A ? 91 HG3 1
   ATOM 1832 HD2 . LYS A 92 ? -3.74399 56.39544 20.30766 1.000 25.87375 H ? A ? 91 HD2 1
   ATOM 1833 HD3 . LYS A 92 ? -3.57916 55.25687 21.40398 1.000 25.87375 H ? A ? 91 HD3 1
   ATOM 1834 HE2 . LYS A 92 ? -1.88716 54.30099 20.13771 1.000 34.88095 H ? A ? 91 HE2 1
   ATOM 1835 HE3 . LYS A 92 ? -2.03736 55.46977 19.07150 1.000 34.88095 H ? A ? 91 HE3 1
   ATOM 1836 HZ1 . LYS A 92 ? -0.31119 56.06786 20.43193 1.000 31.15538 H ? A ? 91 HZ1 1
   ATOM 1837 HZ2 . LYS A 92 ? -1.39145 56.94323 20.83823 1.000 31.15538 H ? A ? 91 HZ2 1
   ATOM 1838 HZ3 . LYS A 92 ? -1.04930 55.79141 21.64728 1.000 31.15538 H ? A ? 91 HZ3 1
   ATOM 1839 N . LEU A 93 ? -4.74635 51.07310 17.67032 1.000 17.24735 N ? A ? 92 N 1
   ATOM 1840 CA . LEU A 93 ? -4.49050 50.77351 16.25258 1.000 17.39470 C ? A ? 92 CA 1
   ATOM 1841 C . LEU A 93 ? -5.76291 50.35598 15.53547 1.000 17.94366 C ? A ? 92 C 1
   ATOM 1842 O . LEU A 93 ? -6.02565 50.83741 14.44605 1.000 19.21802 O ? A ? 92 O 1
   ATOM 1843 CB . LEU A 93 ? -3.43512 49.65733 16.19504 1.000 17.51378 C ? A ? 92 CB 1
   ATOM 1844 CG . LEU A 93 ? -2.95792 49.29591 14.76117 1.000 18.31189 C ? A ? 92 CG 1
   ATOM 1845 CD1 . LEU A 93 ? -2.11064 50.37969 14.18379 1.000 19.31717 C ? A ? 92 CD1 1
   ATOM 1846 CD2 . LEU A 93 ? -2.15836 48.02955 14.89331 1.000 20.69127 C ? A ? 92 CD2 1
   ATOM 1847 H . LEU A 93 ? -4.38893 50.52268 18.22610 1.000 20.69682 H ? A ? 92 H 1
   ATOM 1848 HA . LEU A 93 ? -4.15496 51.56048 15.79541 1.000 20.87364 H ? A ? 92 HA 1
   ATOM 1849 HB2 . LEU A 93 ? -2.65757 49.94180 16.70041 1.000 21.01654 H ? A ? 92 HB2 1
   ATOM 1850 HB3 . LEU A 93 ? -3.81232 48.85564 16.58989 1.000 21.01654 H ? A ? 92 HB3 1
   ATOM 1851 HG . LEU A 93 ? -3.70948 49.18252 14.15850 1.000 21.97427 H ? A ? 92 HG 1
   ATOM 1852 HD11 . LEU A 93 ? -1.73906 50.07502 13.34117 1.000 23.18061 H ? A ? 92 HD11 1
   ATOM 1853 HD12 . LEU A 93 ? -2.65962 51.16602 14.03817 1.000 23.18061 H ? A ? 92 HD12 1
   ATOM 1854 HD13 . LEU A 93 ? -1.39520 50.58624 14.80538 1.000 23.18061 H ? A ? 92 HD13 1
   ATOM 1855 HD21 . LEU A 93 ? -1.81801 47.77843 14.02039 1.000 24.82952 H ? A ? 92 HD21 1
   ATOM 1856 HD22 . LEU A 93 ? -1.42075 48.18406 15.50402 1.000 24.82952 H ? A ? 92 HD22 1
   ATOM 1857 HD23 . LEU A 93 ? -2.73248 47.32818 15.23880 1.000 24.82952 H ? A ? 92 HD23 1
   ATOM 1858 N . SER A 94 ? -6.59258 49.57600 16.18257 1.000 16.86429 N ? A ? 93 N 1
   ATOM 1859 CA . SER A 94 ? -7.91121 49.24594 15.69167 1.000 14.71162 C ? A ? 93 CA 1
   ATOM 1860 C . SER A 94 ? -8.73941 50.45516 15.44682 1.000 15.75583 C ? A ? 93 C 1
   ATOM 1861 O . SER A 94 ? -9.45718 50.52721 14.41374 1.000 17.63269 O ? A ? 93 O 1
   ATOM 1862 CB . SER A 94 ? -8.64218 48.26061 16.61214 1.000 18.53596 C ? A ? 93 CB 1
   ATOM 1863 OG . SER A 94 ? -8.00979 47.02257 16.72351 1.000 20.46633 O ? A ? 93 OG 1
   ATOM 1864 H . SER A 94 ? -6.41356 49.20791 16.93891 1.000 20.23715 H ? A ? 93 H 1
   ATOM 1865 HA . SER A 94 ? -7.78388 48.79456 14.84259 1.000 17.65395 H ? A ? 93 HA 1
   ATOM 1866 HB2 . SER A 94 ? -8.69756 48.65458 17.49680 1.000 22.24316 H ? A ? 93 HB2 1
   ATOM 1867 HB3 . SER A 94 ? -9.53317 48.11621 16.25691 1.000 22.24316 H ? A ? 93 HB3 1
   ATOM 1868 HG . SER A 94 ? -7.21997 47.12634 16.99000 1.000 24.55959 H ? A ? 93 HG 1
   ATOM 1869 N . ALA A 95 ? -8.77911 51.39338 16.39448 1.000 18.32644 N ? A ? 94 N 1
   ATOM 1870 CA . ALA A 95 ? -9.57269 52.59302 16.21236 1.000 18.44564 C ? A ? 94 CA 1
   ATOM 1871 C . ALA A 95 ? -9.10407 53.38581 15.00530 1.000 17.79880 C ? A ? 94 C 1
   ATOM 1872 O . ALA A 95 ? -9.92712 53.87351 14.19053 1.000 19.54135 O ? A ? 94 O 1
   ATOM 1873 CB . ALA A 95 ? -9.55834 53.43470 17.51643 1.000 18.48908 C ? A ? 94 CB 1
   ATOM 1874 H . ALA A 95 ? -8.35759 51.35451 17.14308 1.000 21.99173 H ? A ? 94 H 1
   ATOM 1875 HA . ALA A 95 ? -10.49649 52.35083 16.04254 1.000 22.13476 H ? A ? 94 HA 1
   ATOM 1876 HB1 . ALA A 95 ? -10.11820 54.21721 17.39341 1.000 22.18689 H ? A ? 94 HB1 1
   ATOM 1877 HB2 . ALA A 95 ? -9.90115 52.89395 18.24510 1.000 22.18689 H ? A ? 94 HB2 1
   ATOM 1878 HB3 . ALA A 95 ? -8.64691 53.70668 17.70674 1.000 22.18689 H ? A ? 94 HB3 1
   ATOM 1879 N . ALA A 96 ? -7.81418 53.53431 14.84685 1.000 16.97502 N ? A ? 95 N 1
   ATOM 1880 CA . ALA A 96 ? -7.22886 54.19632 13.68319 1.000 18.25750 C ? A ? 95 CA 1
   ATOM 1881 C . ALA A 96 ? -7.60031 53.48554 12.38522 1.000 18.96527 C ? A ? 95 C 1
   ATOM 1882 O . ALA A 96 ? -8.04326 54.12327 11.41112 1.000 18.26267 O ? A ? 95 O 1
   ATOM 1883 CB . ALA A 96 ? -5.73262 54.22155 13.84451 1.000 19.59690 C ? A ? 95 CB 1
   ATOM 1884 H . ALA A 96 ? -7.22580 53.25642 15.40915 1.000 20.37002 H ? A ? 95 H 1
   ATOM 1885 HA . ALA A 96 ? -7.56784 55.10367 13.63109 1.000 21.90900 H ? A ? 95 HA 1
   ATOM 1886 HB1 . ALA A 96 ? -5.33344 54.57344 13.03351 1.000 23.51628 H ? A ? 95 HB1 1
   ATOM 1887 HB2 . ALA A 96 ? -5.50575 54.78881 14.59793 1.000 23.51628 H ? A ? 95 HB2 1
   ATOM 1888 HB3 . ALA A 96 ? -5.41687 53.31829 14.00364 1.000 23.51628 H ? A ? 95 HB3 1
   ATOM 1889 N . ALA A 97 ? -7.45526 52.17165 12.37114 1.000 17.70358 N ? A ? 96 N 1
   ATOM 1890 CA . ALA A 97 ? -7.77821 51.41818 11.15514 1.000 17.18057 C ? A ? 96 CA 1
   ATOM 1891 C . ALA A 97 ? -9.24571 51.47081 10.83286 1.000 17.85560 C ? A ? 96 C 1
   ATOM 1892 O . ALA A 97 ? -9.61133 51.67971 9.65640 1.000 19.37678 O ? A ? 96 O 1
   ATOM 1893 CB . ALA A 97 ? -7.35906 49.98570 11.32246 1.000 17.45981 C ? A ? 96 CB 1
   ATOM 1894 H . ALA A 97 ? -7.17881 51.69578 13.03199 1.000 21.24429 H ? A ? 96 H 1
   ATOM 1895 HA . ALA A 97 ? -7.28997 51.81456 10.41663 1.000 20.61668 H ? A ? 96 HA 1
   ATOM 1896 HB1 . ALA A 97 ? -7.52789 49.50855 10.49498 1.000 20.95177 H ? A ? 96 HB1 1
   ATOM 1897 HB2 . ALA A 97 ? -6.41291 49.95618 11.53419 1.000 20.95177 H ? A ? 96 HB2 1
   ATOM 1898 HB3 . ALA A 97 ? -7.87198 49.58876 12.04374 1.000 20.95177 H ? A ? 96 HB3 1
   ATOM 1899 N . ASP A 98 ? -10.10872 51.37638 11.84928 1.000 18.10531 N ? A ? 97 N 1
   ATOM 1900 CA . ASP A 98 ? -11.54941 51.43841 11.65653 1.000 18.47781 C ? A ? 97 CA 1
   ATOM 1901 C . ASP A 98 ? -11.96628 52.80515 11.13508 1.000 21.70497 C ? A ? 97 C 1
   ATOM 1902 O . ASP A 98 ? -12.96680 52.91991 10.38263 1.000 25.12105 O ? A ? 97 O 1
   ATOM 1903 CB . ASP A 98 ? -12.26003 51.12676 12.98056 1.000 20.02380 C ? A ? 97 CB 1
   ATOM 1904 CG . ASP A 98 ? -12.22642 49.66941 13.34118 1.000 22.47812 C ? A ? 97 CG 1
   ATOM 1905 OD1 . ASP A 98 ? -11.81065 48.80195 12.58758 1.000 21.07664 O ? A ? 97 OD1 1
   ATOM 1906 OD2 . ASP A 98 ? -12.69460 49.32644 14.49398 1.000 24.08137 O ? A ? 97 OD2 1
   ATOM 1907 H . ASP A 98 ? -9.87773 51.27446 12.67138 1.000 21.72637 H ? A ? 97 H 1
   ATOM 1908 HA . ASP A 98 ? -11.82120 50.77055 11.00768 1.000 22.17337 H ? A ? 97 HA 1
   ATOM 1909 HB2 . ASP A 98 ? -11.82622 51.62044 13.69400 1.000 24.02856 H ? A ? 97 HB2 1
   ATOM 1910 HB3 . ASP A 98 ? -13.18952 51.39480 12.90920 1.000 24.02856 H ? A ? 97 HB3 1
   ATOM 1911 N . ALA A 99 ? -11.24787 53.87222 11.51904 1.000 19.82412 N ? A ? 98 N 1
   ATOM 1912 CA . ALA A 99 ? -11.52271 55.21860 11.05393 1.000 20.98353 C ? A ? 98 CA 1
   ATOM 1913 C . ALA A 99 ? -10.97307 55.52933 9.66423 1.000 22.09182 C ? A ? 98 C 1
   ATOM 1914 O . ALA A 99 ? -11.30294 56.60551 9.07982 1.000 24.31505 O ? A ? 98 O 1
   ATOM 1915 CB . ALA A 99 ? -10.95487 56.23906 12.04202 1.000 24.06416 C ? A ? 98 CB 1
   ATOM 1916 H . ALA A 99 ? -10.58207 53.83060 12.06179 1.000 23.78894 H ? A ? 98 H 1
   ATOM 1917 HA . ALA A 99 ? -12.48671 55.31812 11.01268 1.000 25.18024 H ? A ? 98 HA 1
   ATOM 1918 HB1 . ALA A 99 ? -11.15619 57.13289 11.72352 1.000 28.87699 H ? A ? 98 HB1 1
   ATOM 1919 HB2 . ALA A 99 ? -11.36237 56.09792 12.91088 1.000 28.87699 H ? A ? 98 HB2 1
   ATOM 1920 HB3 . ALA A 99 ? -9.99438 56.11837 12.10360 1.000 28.87699 H ? A ? 98 HB3 1
   ATOM 1921 N . GLY A 100 ? -10.10620 54.65778 9.10363 1.000 19.03200 N ? A ? 99 N 1
   ATOM 1922 CA . GLY A 100 ? -9.39230 54.93078 7.87515 1.000 20.34341 C ? A ? 99 CA 1
   ATOM 1923 C . GLY A 100 ? -8.48113 56.12205 7.98414 1.000 22.50746 C ? A ? 99 C 1
   ATOM 1924 O . GLY A 100 ? -8.22184 56.82207 7.01778 1.000 23.21818 O ? A ? 99 O 1
   ATOM 1925 H . GLY A 100 ? -9.92043 53.88658 9.43582 1.000 22.83840 H ? A ? 99 H 1
   ATOM 1926 HA2 . GLY A 100 ? -8.85590 54.15781 7.63912 1.000 24.41209 H ? A ? 99 HA2 1
   ATOM 1927 HA3 . GLY A 100 ? -10.03143 55.10027 7.16544 1.000 24.41209 H ? A ? 99 HA3 1
   ATOM 1928 N . ASP A 101 ? -7.89428 56.33374 9.13992 1.000 22.81942 N ? A ? 100 N 1
   ATOM 1929 CA . ASP A 101 ? -7.05056 57.48186 9.38704 1.000 24.22964 C ? A ? 100 CA 1
   ATOM 1930 C . ASP A 101 ? -5.58877 57.05354 9.41886 1.000 25.55458 C ? A ? 100 C 1
   ATOM 1931 O . ASP A 101 ? -5.10903 56.50250 10.42127 1.000 21.75377 O ? A ? 100 O 1
   ATOM 1932 CB . ASP A 101 ? -7.50713 58.06835 10.72041 1.000 23.34224 C ? A ? 100 CB 1
   ATOM 1933 CG . ASP A 101 ? -6.83040 59.36997 11.10221 1.000 25.70619 C ? A ? 100 CG 1
   ATOM 1934 OD1 . ASP A 101 ? -5.70424 59.61628 10.66570 1.000 26.63458 O ? A ? 100 OD1 1
   ATOM 1935 OD2 . ASP A 101 ? -7.48661 60.14809 11.84312 1.000 35.35023 O ? A ? 100 OD2 1
   ATOM 1936 H . ASP A 101 ? -7.97130 55.81081 9.81830 1.000 27.38331 H ? A ? 100 H 1
   ATOM 1937 HA . ASP A 101 ? -7.11056 58.13587 8.67320 1.000 29.07557 H ? A ? 100 HA 1
   ATOM 1938 HB2 . ASP A 101 ? -8.46098 58.23809 10.67285 1.000 28.01068 H ? A ? 100 HB2 1
   ATOM 1939 HB3 . ASP A 101 ? -7.31922 57.42488 11.42151 1.000 28.01068 H ? A ? 100 HB3 1
   ATOM 1940 N . LEU A 102 ? -4.88631 57.35017 8.34909 1.000 22.53777 N ? A ? 101 N 1
   ATOM 1941 CA . LEU A 102 ? -3.51723 56.90800 8.20501 1.000 25.91863 C ? A ? 101 CA 1
   ATOM 1942 C . LEU A 102 ? -2.58023 57.58677 9.17613 1.000 22.41072 C ? A ? 101 C 1
   ATOM 1943 O . LEU A 102 ? -1.61086 56.94063 9.62569 1.000 21.11064 O ? A ? 101 O 1
   ATOM 1944 CB . LEU A 102 ? -3.03898 57.21126 6.77594 1.000 27.58621 C ? A ? 101 CB 1
   ATOM 1945 CG . LEU A 102 ? -1.61560 56.86570 6.41307 1.000 23.06375 C ? A ? 101 CG 1
   ATOM 1946 CD1 . LEU A 102 ? -1.31149 55.39410 6.59383 1.000 25.00141 C ? A ? 101 CD1 1
   ATOM 1947 CD2 . LEU A 102 ? -1.35813 57.30910 4.96464 1.000 25.04399 C ? A ? 101 CD2 1
   ATOM 1948 H . LEU A 102 ? -5.17910 57.81044 7.68423 1.000 27.04533 H ? A ? 101 H 1
   ATOM 1949 HA . LEU A 102 ? -3.49044 55.95339 8.37498 1.000 31.10236 H ? A ? 101 HA 1
   ATOM 1950 HB2 . LEU A 102 ? -3.60892 56.71895 6.16462 1.000 33.10346 H ? A ? 101 HB2 1
   ATOM 1951 HB3 . LEU A 102 ? -3.13969 58.16468 6.62844 1.000 33.10346 H ? A ? 101 HB3 1
   ATOM 1952 HG . LEU A 102 ? -1.01235 57.33270 7.01216 1.000 27.67650 H ? A ? 101 HG 1
   ATOM 1953 HD11 . LEU A 102 ? -0.40540 55.21979 6.29461 1.000 30.00169 H ? A ? 101 HD11 1
   ATOM 1954 HD12 . LEU A 102 ? -1.39937 55.16645 7.53263 1.000 30.00169 H ? A ? 101 HD12 1
   ATOM 1955 HD13 . LEU A 102 ? -1.93933 54.87489 6.06738 1.000 30.00169 H ? A ? 101 HD13 1
   ATOM 1956 HD21 . LEU A 102 ? -0.44745 57.08015 4.72142 1.000 30.05279 H ? A ? 101 HD21 1
   ATOM 1957 HD22 . LEU A 102 ? -1.98178 56.85211 4.37888 1.000 30.05279 H ? A ? 101 HD22 1
   ATOM 1958 HD23 . LEU A 102 ? -1.48639 58.26844 4.90051 1.000 30.05279 H ? A ? 101 HD23 1
   ATOM 1959 N . ASP A 103 ? -2.83068 58.84160 9.50926 1.000 22.76105 N ? A ? 102 N 1
   ATOM 1960 CA . ASP A 103 ? -1.98391 59.50143 10.51133 1.000 24.80792 C ? A ? 102 CA 1
   ATOM 1961 C . ASP A 103 ? -2.11273 58.82524 11.85721 1.000 25.45670 C ? A ? 102 C 1
   ATOM 1962 O . ASP A 103 ? -1.09707 58.55384 12.56057 1.000 22.40856 O ? A ? 102 O 1
   ATOM 1963 H . ASP A 103 ? -3.46297 59.32623 9.18531 1.000 27.31327 H ? A ? 102 H 1
   ATOM 1964 HA . ASP A 103 ? -1.05712 59.44823 10.23004 1.000 29.76951 H ? A ? 102 HA 1
   ATOM 1965 CB A ASP A 103 ? -2.39637 60.96537 10.67438 0.272 27.38863 C ? A ? 102 CB 1
   ATOM 1966 CG A ASP A 103 ? -1.82819 61.86019 9.60424 0.272 32.48069 C ? A ? 102 CG 1
   ATOM 1967 OD1 A ASP A 103 ? -1.03105 61.37766 8.77846 0.272 33.68622 O ? A ? 102 OD1 1
   ATOM 1968 OD2 A ASP A 103 ? -2.18430 63.05956 9.62701 0.272 31.29131 O ? A ? 102 OD2 1
   ATOM 1969 HB2 A ASP A 103 ? -3.36354 61.02673 10.63274 0.272 32.86636 H ? A ? 102 HB2 1
   ATOM 1970 HB3 A ASP A 103 ? -2.08012 61.28809 11.53271 0.272 32.86636 H ? A ? 102 HB3 1
   ATOM 1971 CB B ASP A 103 ? -2.38555 60.97001 10.62283 0.728 27.32853 C ? A ? 102 CB 1
   ATOM 1972 CG B ASP A 103 ? -2.08281 61.71624 9.36670 0.728 31.65481 C ? A ? 102 CG 1
   ATOM 1973 OD1 B ASP A 103 ? -0.89644 61.77102 9.09556 0.728 30.94783 O ? A ? 102 OD1 1
   ATOM 1974 OD2 B ASP A 103 ? -2.99579 62.14700 8.62594 0.728 32.67885 O ? A ? 102 OD2 1
   ATOM 1975 HB2 B ASP A 103 ? -3.33889 61.03014 10.79145 0.728 32.79424 H ? A ? 102 HB2 1
   ATOM 1976 HB3 B ASP A 103 ? -1.89341 61.38309 11.34951 0.728 32.79424 H ? A ? 102 HB3 1
   ATOM 1977 N A LYS A 104 ? -3.34367 58.55774 12.28787 0.347 21.59818 N ? A ? 103 N 1
   ATOM 1978 CA A LYS A 104 ? -3.52159 57.88887 13.56703 0.347 19.34038 C ? A ? 103 CA 1
   ATOM 1979 C A LYS A 104 ? -3.06639 56.43841 13.51970 0.347 19.07981 C ? A ? 103 C 1
   ATOM 1980 O A LYS A 104 ? -2.77418 55.85420 14.58832 0.347 18.47716 O ? A ? 103 O 1
   ATOM 1981 CB A LYS A 104 ? -4.97072 57.92806 14.02136 0.347 23.66384 C ? A ? 103 CB 1
   ATOM 1982 CG A LYS A 104 ? -5.32217 59.22109 14.74507 0.347 29.25371 C ? A ? 103 CG 1
   ATOM 1983 CD A LYS A 104 ? -5.15213 60.42511 13.84453 0.347 35.74992 C ? A ? 103 CD 1
   ATOM 1984 CE A LYS A 104 ? -5.98533 61.64008 14.32243 0.347 41.31817 C ? A ? 103 CE 1
   ATOM 1985 NZ A LYS A 104 ? -6.21696 62.59555 13.15774 0.347 26.47054 N ? A ? 103 NZ 1
   ATOM 1986 H A LYS A 104 ? -4.06983 58.74867 11.86855 0.347 25.91782 H ? A ? 103 H 1
   ATOM 1987 HA A LYS A 104 ? -2.99440 58.37194 14.22248 0.347 23.20846 H ? A ? 103 HA 1
   ATOM 1988 HB2 A LYS A 104 ? -5.54766 57.85093 13.24542 0.347 28.39661 H ? A ? 103 HB2 1
   ATOM 1989 HB3 A LYS A 104 ? -5.13170 57.18948 14.62921 0.347 28.39661 H ? A ? 103 HB3 1
   ATOM 1990 HG2 A LYS A 104 ? -6.24711 59.18567 15.03513 0.347 35.10446 H ? A ? 103 HG2 1
   ATOM 1991 HG3 A LYS A 104 ? -4.73794 59.32907 15.51182 0.347 35.10446 H ? A ? 103 HG3 1
   ATOM 1992 HD2 A LYS A 104 ? -4.21782 60.68561 13.83475 0.347 42.89990 H ? A ? 103 HD2 1
   ATOM 1993 HD3 A LYS A 104 ? -5.44181 60.19509 12.94783 0.347 42.89990 H ? A ? 103 HD3 1
   ATOM 1994 HE2 A LYS A 104 ? -6.84521 61.33776 14.65426 0.347 49.58181 H ? A ? 103 HE2 1
   ATOM 1995 HE3 A LYS A 104 ? -5.50654 62.11100 15.02236 0.347 49.58181 H ? A ? 103 HE3 1
   ATOM 1996 HZ1 A LYS A 104 ? -6.66843 63.31043 13.43563 0.347 31.76465 H ? A ? 103 HZ1 1
   ATOM 1997 HZ2 A LYS A 104 ? -5.43667 62.85969 12.82089 0.347 31.76465 H ? A ? 103 HZ2 1
   ATOM 1998 HZ3 A LYS A 104 ? -6.68458 62.18900 12.51887 0.347 31.76465 H ? A ? 103 HZ3 1
   ATOM 1999 N B LYS A 104 ? -3.34858 58.56478 12.29063 0.653 21.54813 N ? A ? 103 N 1
   ATOM 2000 CA B LYS A 104 ? -3.52006 57.84163 13.54097 0.653 19.13902 C ? A ? 103 CA 1
   ATOM 2001 C B LYS A 104 ? -2.91078 56.46130 13.41479 0.653 19.34435 C ? A ? 103 C 1
   ATOM 2002 O B LYS A 104 ? -2.24566 55.96893 14.35318 0.653 18.40065 O ? A ? 103 O 1
   ATOM 2003 CB B LYS A 104 ? -4.98459 57.73797 13.92186 0.653 22.94637 C ? A ? 103 CB 1
   ATOM 2004 CG B LYS A 104 ? -5.56436 59.07086 14.30708 0.653 30.57069 C ? A ? 103 CG 1
   ATOM 2005 CD B LYS A 104 ? -7.07986 58.95226 14.29474 0.653 37.01604 C ? A ? 103 CD 1
   ATOM 2006 CE B LYS A 104 ? -7.61015 57.91998 15.29547 0.653 48.59267 C ? A ? 103 CE 1
   ATOM 2007 NZ B LYS A 104 ? -7.49096 58.18377 16.79984 0.653 52.84526 N ? A ? 103 NZ 1
   ATOM 2008 H B LYS A 104 ? -4.07597 58.78958 11.89068 0.653 25.85776 H ? A ? 103 H 1
   ATOM 2009 HA B LYS A 104 ? -3.07990 58.33196 14.25282 0.653 22.96682 H ? A ? 103 HA 1
   ATOM 2010 HB2 B LYS A 104 ? -5.48666 57.39607 13.16560 0.653 27.53564 H ? A ? 103 HB2 1
   ATOM 2011 HB3 B LYS A 104 ? -5.07489 57.13791 14.67862 0.653 27.53564 H ? A ? 103 HB3 1
   ATOM 2012 HG2 B LYS A 104 ? -5.27148 59.31699 15.19845 0.653 36.68483 H ? A ? 103 HG2 1
   ATOM 2013 HG3 B LYS A 104 ? -5.29289 59.74956 13.66945 0.653 36.68483 H ? A ? 103 HG3 1
   ATOM 2014 HD2 B LYS A 104 ? -7.46525 59.81294 14.52189 0.653 44.41924 H ? A ? 103 HD2 1
   ATOM 2015 HD3 B LYS A 104 ? -7.36779 58.68337 13.40835 0.653 44.41924 H ? A ? 103 HD3 1
   ATOM 2016 HE2 B LYS A 104 ? -8.55663 57.80495 15.11703 0.653 58.31120 H ? A ? 103 HE2 1
   ATOM 2017 HE3 B LYS A 104 ? -7.13798 57.08894 15.13019 0.653 58.31120 H ? A ? 103 HE3 1
   ATOM 2018 HZ1 B LYS A 104 ? -7.49646 57.41333 17.24536 0.653 63.41431 H ? A ? 103 HZ1 1
   ATOM 2019 HZ2 B LYS A 104 ? -6.73104 58.61292 16.97436 0.653 63.41431 H ? A ? 103 HZ2 1
   ATOM 2020 HZ3 B LYS A 104 ? -8.17433 58.68232 17.07654 0.653 63.41431 H ? A ? 103 HZ3 1
   ATOM 2021 N A LEU A 105 ? -3.00606 55.85501 12.31194 0.347 19.55920 N ? A ? 104 N 1
   ATOM 2022 CA A LEU A 105 ? -2.48226 54.50497 12.13499 0.347 18.04631 C ? A ? 104 CA 1
   ATOM 2023 C A LEU A 105 ? -0.96824 54.49581 12.29834 0.347 18.51425 C ? A ? 104 C 1
   ATOM 2024 O A LEU A 105 ? -0.39983 53.59104 12.92014 0.347 17.87977 O ? A ? 104 O 1
   ATOM 2025 CB A LEU A 105 ? -2.89664 53.95945 10.77706 0.347 22.16602 C ? A ? 104 CB 1
   ATOM 2026 CG A LEU A 105 ? -2.76036 52.44507 10.60504 0.347 20.74023 C ? A ? 104 CG 1
   ATOM 2027 CD1 A LEU A 105 ? -3.93561 51.73381 11.24479 0.347 21.24862 C ? A ? 104 CD1 1
   ATOM 2028 CD2 A LEU A 105 ? -2.59981 52.10424 9.12177 0.347 23.07357 C ? A ? 104 CD2 1
   ATOM 2029 H A LEU A 105 ? -3.26430 56.22539 11.58001 0.347 23.47104 H ? A ? 104 H 1
   ATOM 2030 HA A LEU A 105 ? -2.86043 53.91768 12.80803 0.347 21.65557 H ? A ? 104 HA 1
   ATOM 2031 HB2 A LEU A 105 ? -3.82871 54.18445 10.63036 0.347 26.59922 H ? A ? 104 HB2 1
   ATOM 2032 HB3 A LEU A 105 ? -2.34355 54.37843 10.09924 0.347 26.59922 H ? A ? 104 HB3 1
   ATOM 2033 HG A LEU A 105 ? -1.96529 52.12345 11.05818 0.347 24.88828 H ? A ? 104 HG 1
   ATOM 2034 HD11 A LEU A 105 ? -3.83056 50.77731 11.12240 0.347 25.49834 H ? A ? 104 HD11 1
   ATOM 2035 HD12 A LEU A 105 ? -3.95606 51.94593 12.19109 0.347 25.49834 H ? A ? 104 HD12 1
   ATOM 2036 HD13 A LEU A 105 ? -4.75496 52.03352 10.82084 0.347 25.49834 H ? A ? 104 HD13 1
   ATOM 2037 HD21 A LEU A 105 ? -2.34130 51.17309 9.03788 0.347 27.68829 H ? A ? 104 HD21 1
   ATOM 2038 HD22 A LEU A 105 ? -3.44476 52.25495 8.66984 0.347 27.68829 H ? A ? 104 HD22 1
   ATOM 2039 HD23 A LEU A 105 ? -1.91396 52.67367 8.73933 0.347 27.68829 H ? A ? 104 HD23 1
   ATOM 2040 N B LEU A 105 ? -3.05666 55.84159 12.24770 0.653 19.61633 N ? A ? 104 N 1
   ATOM 2041 CA B LEU A 105 ? -2.49678 54.51664 12.02782 0.653 17.86197 C ? A ? 104 CA 1
   ATOM 2042 C B LEU A 105 ? -1.00394 54.53960 12.31719 0.653 18.40561 C ? A ? 104 C 1
   ATOM 2043 O B LEU A 105 ? -0.48530 53.69868 13.05010 0.653 18.13317 O ? A ? 104 O 1
   ATOM 2044 CB B LEU A 105 ? -2.81088 54.00244 10.63741 0.653 22.38033 C ? A ? 104 CB 1
   ATOM 2045 CG B LEU A 105 ? -2.46288 52.53262 10.41853 0.653 21.09959 C ? A ? 104 CG 1
   ATOM 2046 CD1 B LEU A 105 ? -3.55690 51.69167 10.97756 0.653 21.10384 C ? A ? 104 CD1 1
   ATOM 2047 CD2 B LEU A 105 ? -2.18913 52.25414 8.98357 0.653 24.74508 C ? A ? 104 CD2 1
   ATOM 2048 H B LEU A 105 ? -3.47429 56.16628 11.56964 0.653 23.53960 H ? A ? 104 H 1
   ATOM 2049 HA B LEU A 105 ? -2.91636 53.88414 12.63180 0.653 21.43437 H ? A ? 104 HA 1
   ATOM 2050 HB2 B LEU A 105 ? -3.76170 54.10717 10.47655 0.653 26.85640 H ? A ? 104 HB2 1
   ATOM 2051 HB3 B LEU A 105 ? -2.30611 54.52371 9.99368 0.653 26.85640 H ? A ? 104 HB3 1
   ATOM 2052 HG B LEU A 105 ? -1.64419 52.30124 10.88449 0.653 25.31950 H ? A ? 104 HG 1
   ATOM 2053 HD11 B LEU A 105 ? -3.34447 50.75705 10.82839 0.653 25.32460 H ? A ? 104 HD11 1
   ATOM 2054 HD12 B LEU A 105 ? -3.63432 51.86557 11.92869 0.653 25.32460 H ? A ? 104 HD12 1
   ATOM 2055 HD13 B LEU A 105 ? -4.38809 51.91726 10.53132 0.653 25.32460 H ? A ? 104 HD13 1
   ATOM 2056 HD21 B LEU A 105 ? -1.95056 51.31930 8.88322 0.653 29.69410 H ? A ? 104 HD21 1
   ATOM 2057 HD22 B LEU A 105 ? -2.98612 52.44949 8.46633 0.653 29.69410 H ? A ? 104 HD22 1
   ATOM 2058 HD23 B LEU A 105 ? -1.45631 52.81621 8.68700 0.653 29.69410 H ? A ? 104 HD23 1
   ATOM 2059 N . ARG A 106 ? -0.28752 55.47825 11.74315 1.000 18.67152 N ? A ? 105 N 1
   ATOM 2060 CA . ARG A 106 ? 1.15170 55.52204 11.85663 1.000 18.70653 C ? A ? 105 CA 1
   ATOM 2061 C . ARG A 106 ? 1.54363 55.68598 13.30119 1.000 18.30062 C ? A ? 105 C 1
   ATOM 2062 O . ARG A 106 ? 2.46506 55.01795 13.79212 1.000 19.56817 O ? A ? 105 O 1
   ATOM 2063 CB . ARG A 106 ? 1.71315 56.72725 11.06905 1.000 20.92404 C ? A ? 105 CB 1
   ATOM 2064 CG . ARG A 106 ? 1.71610 56.65918 9.59619 1.000 32.12907 C ? A ? 105 CG 1
   ATOM 2065 CD . ARG A 106 ? 2.81595 57.68056 8.98657 1.000 23.84955 C ? A ? 105 CD 1
   ATOM 2066 NE . ARG A 106 ? 2.83121 59.00597 9.59711 1.000 35.43288 N ? A ? 105 NE 1
   ATOM 2067 CZ . ARG A 106 ? 3.90992 59.78834 9.65289 1.000 24.70811 C ? A ? 105 CZ 1
   ATOM 2068 NH1 . ARG A 106 ? 5.05020 59.42609 9.07901 1.000 31.76784 N ? A ? 105 NH1 1
   ATOM 2069 NH2 . ARG A 106 ? 3.80188 61.00187 10.20778 1.000 27.97058 N ? A ? 105 NH2 1
   ATOM 2070 HA . ARG A 106 ? 1.51978 54.70245 11.49098 1.000 22.44784 H ? A ? 105 HA 1
   ATOM 2071 HB2 . ARG A 106 ? 1.18707 57.50612 11.30886 1.000 25.10885 H ? A ? 105 HB2 1
   ATOM 2072 HB3 . ARG A 106 ? 2.63544 56.85301 11.34195 1.000 25.10885 H ? A ? 105 HB3 1
   ATOM 2073 HG2 . ARG A 106 ? 1.93889 55.75880 9.31232 1.000 38.55488 H ? A ? 105 HG2 1
   ATOM 2074 HG3 . ARG A 106 ? 0.84181 56.90717 9.25704 1.000 38.55488 H ? A ? 105 HG3 1
   ATOM 2075 HD2 . ARG A 106 ? 3.69689 57.29386 9.11029 1.000 28.61946 H ? A ? 105 HD2 1
   ATOM 2076 HD3 . ARG A 106 ? 2.63532 57.79870 8.04089 1.000 28.61946 H ? A ? 105 HD3 1
   ATOM 2077 HE . ARG A 106 ? 2.10039 59.30038 9.94181 1.000 42.51946 H ? A ? 105 HE 1
   ATOM 2078 HH11 . ARG A 106 ? 5.10243 58.67565 8.66223 1.000 38.12141 H ? A ? 105 HH11 1
   ATOM 2079 HH12 . ARG A 106 ? 5.73698 59.94176 9.12386 1.000 38.12141 H ? A ? 105 HH12 1
   ATOM 2080 HH21 . ARG A 106 ? 3.04566 61.26566 10.52107 1.000 33.56470 H ? A ? 105 HH21 1
   ATOM 2081 HH22 . ARG A 106 ? 4.48869 61.51765 10.25095 1.000 33.56470 H ? A ? 105 HH22 1
   ATOM 2082 H A ARG A 106 ? -0.63298 56.12791 11.29796 0.347 22.40582 H ? A ? 105 H 1
   ATOM 2083 H B ARG A 106 ? -0.61554 56.11763 11.27071 0.653 22.40582 H ? A ? 105 H 1
   ATOM 2084 N . ALA A 107 ? 0.86471 56.57394 13.98515 1.000 18.76513 N ? A ? 106 N 1
   ATOM 2085 CA . ALA A 107 ? 1.19246 56.86764 15.37604 1.000 18.45426 C ? A ? 106 CA 1
   ATOM 2086 C . ALA A 107 ? 0.92950 55.65164 16.25753 1.000 19.62988 C ? A ? 106 C 1
   ATOM 2087 O . ALA A 107 ? 1.78490 55.26364 17.07975 1.000 19.62908 O ? A ? 106 O 1
   ATOM 2088 CB . ALA A 107 ? 0.40430 58.10517 15.79413 1.000 19.87993 C ? A ? 106 CB 1
   ATOM 2089 H . ALA A 107 ? 0.20387 57.02877 13.67527 1.000 22.51816 H ? A ? 106 H 1
   ATOM 2090 HA . ALA A 107 ? 2.13403 57.07342 15.48558 1.000 22.14511 H ? A ? 106 HA 1
   ATOM 2091 HB1 . ALA A 107 ? 0.66342 58.35522 16.69481 1.000 23.85592 H ? A ? 106 HB1 1
   ATOM 2092 HB2 . ALA A 107 ? 0.60341 58.82887 15.17970 1.000 23.85592 H ? A ? 106 HB2 1
   ATOM 2093 HB3 . ALA A 107 ? -0.54336 57.89993 15.76751 1.000 23.85592 H ? A ? 106 HB3 1
   ATOM 2094 N . ALA A 108 ? -0.23075 55.02835 16.07677 1.000 17.59617 N ? A ? 107 N 1
   ATOM 2095 CA . ALA A 108 ? -0.55066 53.85377 16.85154 1.000 17.36345 C ? A ? 107 CA 1
   ATOM 2096 C . ALA A 108 ? 0.41357 52.73241 16.56539 1.000 18.20706 C ? A ? 107 C 1
   ATOM 2097 O . ALA A 108 ? 0.73698 51.92622 17.45083 1.000 17.90240 O ? A ? 107 O 1
   ATOM 2098 CB . ALA A 108 ? -1.98177 53.44512 16.69557 1.000 17.87130 C ? A ? 107 CB 1
   ATOM 2099 H . ALA A 108 ? -0.83819 55.26763 15.51699 1.000 21.11540 H ? A ? 107 H 1
   ATOM 2100 HA . ALA A 108 ? -0.45964 54.07705 17.79109 1.000 20.83614 H ? A ? 107 HA 1
   ATOM 2101 HB1 . ALA A 108 ? -2.13843 52.63979 17.21306 1.000 21.44556 H ? A ? 107 HB1 1
   ATOM 2102 HB2 . ALA A 108 ? -2.55152 54.16116 17.01740 1.000 21.44556 H ? A ? 107 HB2 1
   ATOM 2103 HB3 . ALA A 108 ? -2.16138 53.27571 15.75752 1.000 21.44556 H ? A ? 107 HB3 1
   ATOM 2104 N . PHE A 109 ? 0.79944 52.54775 15.31555 1.000 17.43655 N ? A ? 108 N 1
   ATOM 2105 CA . PHE A 109 ? 1.71750 51.47748 14.95793 1.000 15.53821 C ? A ? 108 CA 1
   ATOM 2106 C . PHE A 109 ? 3.05213 51.60476 15.66137 1.000 17.49102 C ? A ? 108 C 1
   ATOM 2107 O . PHE A 109 ? 3.62680 50.60278 16.18740 1.000 18.17354 O ? A ? 108 O 1
   ATOM 2108 CB . PHE A 109 ? 1.90337 51.54413 13.44124 1.000 16.72661 C ? A ? 108 CB 1
   ATOM 2109 CG . PHE A 109 ? 2.73260 50.41800 12.87476 1.000 14.91377 C ? A ? 108 CG 1
   ATOM 2110 CD1 . PHE A 109 ? 2.11891 49.25237 12.48187 1.000 18.27351 C ? A ? 108 CD1 1
   ATOM 2111 CD2 . PHE A 109 ? 4.09263 50.53107 12.69411 1.000 17.08614 C ? A ? 108 CD2 1
   ATOM 2112 CE1 . PHE A 109 ? 2.85390 48.18331 11.94099 1.000 17.64695 C ? A ? 108 CE1 1
   ATOM 2113 CE2 . PHE A 109 ? 4.83934 49.41630 12.06772 1.000 18.63065 C ? A ? 108 CE2 1
   ATOM 2114 CZ . PHE A 109 ? 4.16989 48.30311 11.70253 1.000 17.64797 C ? A ? 108 CZ 1
   ATOM 2115 H . PHE A 109 ? 0.54496 53.02891 14.64973 1.000 20.92385 H ? A ? 108 H 1
   ATOM 2116 HA . PHE A 109 ? 1.35163 50.61901 15.22263 1.000 18.64585 H ? A ? 108 HA 1
   ATOM 2117 HB2 . PHE A 109 ? 1.03071 51.50921 13.01915 1.000 20.07193 H ? A ? 108 HB2 1
   ATOM 2118 HB3 . PHE A 109 ? 2.34648 52.37777 13.21856 1.000 20.07193 H ? A ? 108 HB3 1
   ATOM 2119 HD1 . PHE A 109 ? 1.19742 49.16933 12.57599 1.000 21.92822 H ? A ? 108 HD1 1
   ATOM 2120 HD2 . PHE A 109 ? 4.53883 51.30136 12.96331 1.000 20.50337 H ? A ? 108 HD2 1
   ATOM 2121 HE1 . PHE A 109 ? 2.42314 47.38256 11.74572 1.000 21.17634 H ? A ? 108 HE1 1
   ATOM 2122 HE2 . PHE A 109 ? 5.75640 49.48244 11.92803 1.000 22.35678 H ? A ? 108 HE2 1
   ATOM 2123 HZ . PHE A 109 ? 4.62533 47.61064 11.28069 1.000 21.17756 H ? A ? 108 HZ 1
   ATOM 2124 N . GLY A 110 ? 3.54505 52.81234 15.76025 1.000 17.81118 N ? A ? 109 N 1
   ATOM 2125 CA . GLY A 110 ? 4.75592 53.06333 16.50182 1.000 19.50824 C ? A ? 109 CA 1
   ATOM 2126 C . GLY A 110 ? 4.60105 52.74739 17.98803 1.000 18.88673 C ? A ? 109 C 1
   ATOM 2127 O . GLY A 110 ? 5.48390 52.13271 18.58038 1.000 17.58109 O ? A ? 109 O 1
   ATOM 2128 H . GLY A 110 ? 3.19723 53.51412 15.40512 1.000 21.37341 H ? A ? 109 H 1
   ATOM 2129 HA2 . GLY A 110 ? 5.47111 52.51377 16.14490 1.000 23.40989 H ? A ? 109 HA2 1
   ATOM 2130 HA3 . GLY A 110 ? 5.00038 53.99765 16.41129 1.000 23.40989 H ? A ? 109 HA3 1
   ATOM 2131 N A ASP A 111 ? 3.47859 53.13166 18.58425 0.167 19.46596 N ? A ? 110 N 1
   ATOM 2132 CA A ASP A 111 ? 3.27772 52.84655 20.00112 0.167 18.55608 C ? A ? 110 CA 1
   ATOM 2133 C A ASP A 111 ? 3.04486 51.36489 20.25454 0.167 19.06276 C ? A ? 110 C 1
   ATOM 2134 O A ASP A 111 ? 3.34964 50.86591 21.34674 0.167 18.48077 O ? A ? 110 O 1
   ATOM 2135 CB A ASP A 111 ? 2.12041 53.67945 20.53309 0.167 21.06833 C ? A ? 110 CB 1
   ATOM 2136 CG A ASP A 111 ? 2.39520 55.17426 20.48013 0.167 21.98925 C ? A ? 110 CG 1
   ATOM 2137 OD1 A ASP A 111 ? 3.44028 55.62020 19.95318 0.167 22.65239 O ? A ? 110 OD1 1
   ATOM 2138 OD2 A ASP A 111 ? 1.52853 55.90396 20.97611 0.167 26.61699 O ? A ? 110 OD2 1
   ATOM 2139 H A ASP A 111 ? 2.83153 53.54937 18.20160 0.167 23.35916 H ? A ? 110 H 1
   ATOM 2140 HA A ASP A 111 ? 4.07601 53.09883 20.49101 0.167 22.26729 H ? A ? 110 HA 1
   ATOM 2141 HB2 A ASP A 111 ? 1.33097 53.50090 19.99847 0.167 25.28199 H ? A ? 110 HB2 1
   ATOM 2142 HB3 A ASP A 111 ? 1.95635 53.43765 21.45803 0.167 25.28199 H ? A ? 110 HB3 1
   ATOM 2143 N B ASP A 111 ? 3.47531 53.10206 18.58347 0.833 19.31402 N ? A ? 110 N 1
   ATOM 2144 CA B ASP A 111 ? 3.24969 52.80998 20.00325 0.833 18.45273 C ? A ? 110 CA 1
   ATOM 2145 C B ASP A 111 ? 3.11835 51.31550 20.25245 0.833 19.12793 C ? A ? 110 C 1
   ATOM 2146 O B ASP A 111 ? 3.65485 50.77347 21.24640 0.833 17.51662 O ? A ? 110 O 1
   ATOM 2147 CB B ASP A 111 ? 2.06546 53.60695 20.52945 0.833 20.95231 C ? A ? 110 CB 1
   ATOM 2148 CG B ASP A 111 ? 2.34106 55.09719 20.55756 0.833 21.89055 C ? A ? 110 CG 1
   ATOM 2149 OD1 B ASP A 111 ? 3.49636 55.44808 20.77974 0.833 27.57654 O ? A ? 110 OD1 1
   ATOM 2150 OD2 B ASP A 111 ? 1.39810 55.85633 20.35955 0.833 23.88705 O ? A ? 110 OD2 1
   ATOM 2151 H B ASP A 111 ? 2.82434 53.51096 18.19793 0.833 23.17683 H ? A ? 110 H 1
   ATOM 2152 HA B ASP A 111 ? 4.01932 53.10364 20.51543 0.833 22.14328 H ? A ? 110 HA 1
   ATOM 2153 HB2 B ASP A 111 ? 1.29858 53.45268 19.95587 0.833 25.14277 H ? A ? 110 HB2 1
   ATOM 2154 HB3 B ASP A 111 ? 1.86609 53.31983 21.43428 0.833 25.14277 H ? A ? 110 HB3 1
   ATOM 2155 N A VAL A 112 ? 2.50282 50.64337 19.26974 0.167 17.76532 N ? A ? 111 N 1
   ATOM 2156 CA A VAL A 112 ? 2.36913 49.20322 19.43704 0.167 15.88484 C ? A ? 111 CA 1
   ATOM 2157 C A VAL A 112 ? 3.74141 48.54642 19.37546 0.167 18.53873 C ? A ? 111 C 1
   ATOM 2158 O A VAL A 112 ? 4.05889 47.66984 20.19365 0.167 17.51180 O ? A ? 111 O 1
   ATOM 2159 CB A VAL A 112 ? 1.40377 48.60661 18.40058 0.167 17.15560 C ? A ? 111 CB 1
   ATOM 2160 CG1 A VAL A 112 ? 1.44665 47.07846 18.41207 0.167 16.58974 C ? A ? 111 CG1 1
   ATOM 2161 CG2 A VAL A 112 ? -0.00529 49.10744 18.64947 0.167 16.86516 C ? A ? 111 CG2 1
   ATOM 2162 H A VAL A 112 ? 2.21561 50.95630 18.52196 0.167 21.31839 H ? A ? 111 H 1
   ATOM 2163 HA A VAL A 112 ? 1.98359 49.03343 20.31079 0.167 19.06180 H ? A ? 111 HA 1
   ATOM 2164 HB A VAL A 112 ? 1.68298 48.89552 17.51770 0.167 20.58672 H ? A ? 111 HB 1
   ATOM 2165 HG11 A VAL A 112 ? 0.66296 46.73709 17.95359 0.167 19.90768 H ? A ? 111 HG11 1
   ATOM 2166 HG12 A VAL A 112 ? 2.25088 46.78168 17.95816 0.167 19.90768 H ? A ? 111 HG12 1
   ATOM 2167 HG13 A VAL A 112 ? 1.45267 46.76961 19.33156 0.167 19.90768 H ? A ? 111 HG13 1
   ATOM 2168 HG21 A VAL A 112 ? -0.54523 48.93550 17.86219 0.167 20.23819 H ? A ? 111 HG21 1
   ATOM 2169 HG22 A VAL A 112 ? -0.37641 48.63943 19.41376 0.167 20.23819 H ? A ? 111 HG22 1
   ATOM 2170 HG23 A VAL A 112 ? 0.02519 50.06038 18.82799 0.167 20.23819 H ? A ? 111 HG23 1
   ATOM 2171 N B VAL A 112 ? 2.43815 50.60550 19.33191 0.833 17.66143 N ? A ? 111 N 1
   ATOM 2172 CA B VAL A 112 ? 2.38070 49.16590 19.43486 0.833 15.66245 C ? A ? 111 CA 1
   ATOM 2173 C B VAL A 112 ? 3.78358 48.59417 19.39444 0.833 18.69846 C ? A ? 111 C 1
   ATOM 2174 O B VAL A 112 ? 4.15966 47.77058 20.24119 0.833 17.58243 O ? A ? 111 O 1
   ATOM 2175 CB B VAL A 112 ? 1.49841 48.55102 18.35024 0.833 17.11267 C ? A ? 111 CB 1
   ATOM 2176 CG1 B VAL A 112 ? 1.66137 47.06729 18.27693 0.833 16.34460 C ? A ? 111 CG1 1
   ATOM 2177 CG2 B VAL A 112 ? 0.08028 48.87059 18.56820 0.833 16.68674 C ? A ? 111 CG2 1
   ATOM 2178 H B VAL A 112 ? 2.01698 50.93947 18.66059 0.833 21.19372 H ? A ? 111 H 1
   ATOM 2179 HA B VAL A 112 ? 1.97322 48.94511 20.28698 0.833 18.79493 H ? A ? 111 HA 1
   ATOM 2180 HB B VAL A 112 ? 1.78266 48.93481 17.50595 0.833 20.53521 H ? A ? 111 HB 1
   ATOM 2181 HG11 B VAL A 112 ? 0.92481 46.69343 17.76840 0.833 19.61352 H ? A ? 111 HG11 1
   ATOM 2182 HG12 B VAL A 112 ? 2.50267 46.86323 17.83935 0.833 19.61352 H ? A ? 111 HG12 1
   ATOM 2183 HG13 B VAL A 112 ? 1.65995 46.70461 19.17657 0.833 19.61352 H ? A ? 111 HG13 1
   ATOM 2184 HG21 B VAL A 112 ? -0.43338 48.56478 17.80431 0.833 20.02409 H ? A ? 111 HG21 1
   ATOM 2185 HG22 B VAL A 112 ? -0.22445 48.42228 19.37260 0.833 20.02409 H ? A ? 111 HG22 1
   ATOM 2186 HG23 B VAL A 112 ? -0.01534 49.83068 18.66817 0.833 20.02409 H ? A ? 111 HG23 1
   ATOM 2187 N . GLY A 113 ? 4.58826 48.95264 18.42837 1.000 16.62309 N ? A ? 112 N 1
   ATOM 2188 CA . GLY A 113 ? 5.89219 48.36868 18.33764 1.000 17.96407 C ? A ? 112 CA 1
   ATOM 2189 C . GLY A 113 ? 6.75582 48.61252 19.56772 1.000 18.82902 C ? A ? 112 C 1
   ATOM 2190 O . GLY A 113 ? 7.51811 47.74254 19.98590 1.000 19.21871 O ? A ? 112 O 1
   ATOM 2191 HA2 . GLY A 113 ? 5.80196 47.41021 18.21890 1.000 21.55689 H ? A ? 112 HA2 1
   ATOM 2192 HA3 . GLY A 113 ? 6.35237 48.74021 17.56881 1.000 21.55689 H ? A ? 112 HA3 1
   ATOM 2193 H A GLY A 113 ? 4.42100 49.55770 17.84055 0.167 19.94771 H ? A ? 112 H 1
   ATOM 2194 H B GLY A 113 ? 4.40415 49.52840 17.81664 0.833 19.94771 H ? A ? 112 H 1
   ATOM 2195 N A ALA A 114 ? 6.66401 49.80461 20.14024 0.603 18.15168 N ? A ? 113 N 1
   ATOM 2196 CA A ALA A 114 ? 7.37698 50.08507 21.37218 0.603 19.44024 C ? A ? 113 CA 1
   ATOM 2197 C A ALA A 114 ? 6.89333 49.16507 22.48304 0.603 19.96945 C ? A ? 113 C 1
   ATOM 2198 O A ALA A 114 ? 7.68863 48.77447 23.35308 0.603 19.15664 O ? A ? 113 O 1
   ATOM 2199 CB A ALA A 114 ? 7.20923 51.56155 21.72418 0.603 20.26322 C ? A ? 113 CB 1
   ATOM 2200 H A ALA A 114 ? 6.19941 50.46200 19.83761 0.603 21.78201 H ? A ? 113 H 1
   ATOM 2201 HA A ALA A 114 ? 8.32739 49.92507 21.26253 0.603 23.32829 H ? A ? 113 HA 1
   ATOM 2202 HB1 A ALA A 114 ? 7.71784 51.75450 22.52729 0.603 24.31587 H ? A ? 113 HB1 1
   ATOM 2203 HB2 A ALA A 114 ? 7.53684 52.10101 20.98759 0.603 24.31587 H ? A ? 113 HB2 1
   ATOM 2204 HB3 A ALA A 114 ? 6.26895 51.74515 21.87603 0.603 24.31587 H ? A ? 113 HB3 1
   ATOM 2205 N B ALA A 114 ? 6.65283 49.80488 20.14658 0.397 18.22677 N ? A ? 113 N 1
   ATOM 2206 CA B ALA A 114 ? 7.37227 50.08611 21.37858 0.397 19.51681 C ? A ? 113 CA 1
   ATOM 2207 C B ALA A 114 ? 6.88930 49.17765 22.49890 0.397 19.99962 C ? A ? 113 C 1
   ATOM 2208 O B ALA A 114 ? 7.67917 48.79288 23.37192 0.397 19.18563 O ? A ? 113 O 1
   ATOM 2209 CB B ALA A 114 ? 7.20093 51.56160 21.73642 0.397 20.25549 C ? A ? 113 CB 1
   ATOM 2210 H B ALA A 114 ? 6.17928 50.45840 19.84948 0.397 21.87213 H ? A ? 113 H 1
   ATOM 2211 HA B ALA A 114 ? 8.32042 49.92094 21.25759 0.397 23.42017 H ? A ? 113 HA 1
   ATOM 2212 HB1 B ALA A 114 ? 7.69799 51.74954 22.54791 0.397 24.30659 H ? A ? 113 HB1 1
   ATOM 2213 HB2 B ALA A 114 ? 7.53981 52.10471 21.00766 0.397 24.30659 H ? A ? 113 HB2 1
   ATOM 2214 HB3 B ALA A 114 ? 6.25873 51.74546 21.87558 0.397 24.30659 H ? A ? 113 HB3 1
   ATOM 2215 N . SER A 115 ? 5.59619 48.87423 22.54156 1.000 17.22954 N ? A ? 114 N 1
   ATOM 2216 CA . SER A 115 ? 5.05309 47.97832 23.56695 1.000 14.75221 C ? A ? 114 CA 1
   ATOM 2217 C . SER A 115 ? 5.52624 46.55893 23.38927 1.000 18.08174 C ? A ? 114 C 1
   ATOM 2218 O . SER A 115 ? 5.74427 45.85418 24.40534 1.000 17.84911 O ? A ? 114 O 1
   ATOM 2219 CB . SER A 115 ? 3.53637 48.15837 23.56955 1.000 19.27504 C ? A ? 114 CB 1
   ATOM 2220 OG . SER A 115 ? 2.84482 47.49011 24.60886 1.000 21.80495 O ? A ? 114 OG 1
   ATOM 2221 HA . SER A 115 ? 5.37121 48.20969 24.45361 1.000 17.70265 H ? A ? 114 HA 1
   ATOM 2222 HB2 . SER A 115 ? 3.35015 49.10683 23.65104 1.000 23.13005 H ? A ? 114 HB2 1
   ATOM 2223 HB3 . SER A 115 ? 3.19639 47.82493 22.72449 1.000 23.13005 H ? A ? 114 HB3 1
   ATOM 2224 HG . SER A 115 ? 3.09666 46.68999 24.65338 1.000 26.16594 H ? A ? 114 HG 1
   ATOM 2225 H A SER A 115 ? 5.00378 49.18158 21.99918 0.603 20.67544 H ? A ? 114 H 1
   ATOM 2226 H B SER A 115 ? 5.00726 49.17163 21.98992 0.397 20.67544 H ? A ? 114 H 1
   ATOM 2227 N . CYS A 116 ? 5.69132 46.07653 22.12936 1.000 19.94262 N ? A ? 115 N 1
   ATOM 2228 CA . CYS A 116 ? 6.32419 44.78868 21.93943 1.000 17.56746 C ? A ? 115 CA 1
   ATOM 2229 C . CYS A 116 ? 7.71750 44.77511 22.53046 1.000 21.02446 C ? A ? 115 C 1
   ATOM 2230 O . CYS A 116 ? 8.06656 43.86792 23.29491 1.000 19.69688 O ? A ? 115 O 1
   ATOM 2231 CB . CYS A 116 ? 6.40950 44.38496 20.45872 1.000 16.47307 C ? A ? 115 CB 1
   ATOM 2232 SG . CYS A 116 ? 5.05203 44.71313 19.29127 1.000 19.28094 S ? A ? 115 SG 1
   ATOM 2233 H . CYS A 116 ? 5.44780 46.47592 21.40771 1.000 23.93115 H ? A ? 115 H 1
   ATOM 2234 HA . CYS A 116 ? 5.76160 44.13838 22.38832 1.000 21.08095 H ? A ? 115 HA 1
   ATOM 2235 HB2 . CYS A 116 ? 7.18483 44.83656 20.09020 1.000 19.76768 H ? A ? 115 HB2 1
   ATOM 2236 HB3 . CYS A 116 ? 6.54412 43.42456 20.43828 1.000 19.76768 H ? A ? 115 HB3 1
   ATOM 2237 N . LYS A 117 ? 8.51508 45.76562 22.17286 1.000 22.69812 N ? A ? 116 N 1
   ATOM 2238 CA . LYS A 117 ? 9.89168 45.84340 22.65550 1.000 24.25853 C ? A ? 116 CA 1
   ATOM 2239 C . LYS A 117 ? 9.94488 45.96272 24.15540 1.000 21.93103 C ? A ? 116 C 1
   ATOM 2240 O . LYS A 117 ? 10.79059 45.31606 24.77790 1.000 25.04994 O ? A ? 116 O 1
   ATOM 2241 CB . LYS A 117 ? 10.55827 47.03308 21.98019 1.000 22.16129 C ? A ? 116 CB 1
   ATOM 2242 CG . LYS A 117 ? 12.06861 46.90839 21.91528 1.000 35.35285 C ? A ? 116 CG 1
   ATOM 2243 CD . LYS A 117 ? 12.42839 45.47443 21.41456 1.000 79.23498 C ? A ? 116 CD 1
   ATOM 2244 CE . LYS A 117 ? 11.44200 44.65560 20.49064 1.000 64.99491 C ? A ? 116 CE 1
   ATOM 2245 NZ . LYS A 117 ? 12.00178 43.30429 20.37336 1.000 34.79776 N ? A ? 116 NZ 1
   ATOM 2246 H . LYS A 117 ? 8.28920 46.41037 21.65050 1.000 27.23775 H ? A ? 116 H 1
   ATOM 2247 HA . LYS A 117 ? 10.37615 45.03532 22.42485 1.000 29.11024 H ? A ? 116 HA 1
   ATOM 2248 HB2 . LYS A 117 ? 10.22475 47.10715 21.07235 1.000 26.59355 H ? A ? 116 HB2 1
   ATOM 2249 HB3 . LYS A 117 ? 10.34549 47.83766 22.47847 1.000 26.59355 H ? A ? 116 HB3 1
   ATOM 2250 HG2 . LYS A 117 ? 12.42955 47.56071 21.29473 1.000 42.42342 H ? A ? 116 HG2 1
   ATOM 2251 HG3 . LYS A 117 ? 12.45125 47.04173 22.79659 1.000 42.42342 H ? A ? 116 HG3 1
   ATOM 2252 HD2 . LYS A 117 ? 13.25571 45.54877 20.91365 1.000 95.08198 H ? A ? 116 HD2 1
   ATOM 2253 HD3 . LYS A 117 ? 12.56578 44.92562 22.20249 1.000 95.08198 H ? A ? 116 HD3 1
   ATOM 2254 HE2 . LYS A 117 ? 10.56042 44.60877 20.89255 1.000 77.99389 H ? A ? 116 HE2 1
   ATOM 2255 HE3 . LYS A 117 ? 11.38465 45.06139 19.61146 1.000 77.99389 H ? A ? 116 HE3 1
   ATOM 2256 HZ1 . LYS A 117 ? 11.47799 42.80144 19.85870 1.000 41.75731 H ? A ? 116 HZ1 1
   ATOM 2257 HZ2 . LYS A 117 ? 12.81352 43.34153 20.01032 1.000 41.75731 H ? A ? 116 HZ2 1
   ATOM 2258 HZ3 . LYS A 117 ? 12.06221 42.92895 21.17807 1.000 41.75731 H ? A ? 116 HZ3 1
   ATOM 2259 N . ALA A 118 ? 9.07468 46.73657 24.76661 1.000 20.29679 N ? A ? 117 N 1
   ATOM 2260 CA . ALA A 118 ? 9.15536 46.89458 26.23055 1.000 20.86504 C ? A ? 117 CA 1
   ATOM 2261 C . ALA A 118 ? 8.93855 45.56327 26.89411 1.000 24.88510 C ? A ? 117 C 1
   ATOM 2262 O . ALA A 118 ? 9.58733 45.23500 27.90280 1.000 21.82004 O ? A ? 117 O 1
   ATOM 2263 CB . ALA A 118 ? 8.10470 47.87814 26.67928 1.000 20.60533 C ? A ? 117 CB 1
   ATOM 2264 H . ALA A 118 ? 8.44150 47.17454 24.38338 1.000 24.35614 H ? A ? 117 H 1
   ATOM 2265 HA . ALA A 118 ? 10.02568 47.23808 26.48636 1.000 25.03805 H ? A ? 117 HA 1
   ATOM 2266 HB1 . ALA A 118 ? 8.15889 47.98068 27.64232 1.000 24.72640 H ? A ? 117 HB1 1
   ATOM 2267 HB2 . ALA A 118 ? 8.26518 48.73115 26.24625 1.000 24.72640 H ? A ? 117 HB2 1
   ATOM 2268 HB3 . ALA A 118 ? 7.22976 47.54069 26.43127 1.000 24.72640 H ? A ? 117 HB3 1
   ATOM 2269 N . CYS A 119 ? 7.99689 44.77044 26.40685 1.000 20.85288 N ? A ? 118 N 1
   ATOM 2270 CA . CYS A 119 ? 7.83574 43.46816 27.00771 1.000 19.13279 C ? A ? 118 CA 1
   ATOM 2271 C . CYS A 119 ? 9.05159 42.57853 26.77708 1.000 20.41920 C ? A ? 118 C 1
   ATOM 2272 O . CYS A 119 ? 9.52091 41.90502 27.74957 1.000 19.40547 O ? A ? 118 O 1
   ATOM 2273 CB . CYS A 119 ? 6.54606 42.77464 26.57975 1.000 16.73825 C ? A ? 118 CB 1
   ATOM 2274 SG . CYS A 119 ? 6.31531 41.26697 27.47830 1.000 17.25713 S ? A ? 118 SG 1
   ATOM 2275 H . CYS A 119 ? 7.46416 44.95776 25.75824 1.000 25.02345 H ? A ? 118 H 1
   ATOM 2276 HA . CYS A 119 ? 7.74921 43.61200 27.96308 1.000 22.95935 H ? A ? 118 HA 1
   ATOM 2277 HB2 . CYS A 119 ? 5.79150 43.35798 26.75652 1.000 20.08590 H ? A ? 118 HB2 1
   ATOM 2278 HB3 . CYS A 119 ? 6.58986 42.56641 25.63338 1.000 20.08590 H ? A ? 118 HB3 1
   ATOM 2279 N . HIS A 120 ? 9.60700 42.55535 25.56900 1.000 20.50781 N ? A ? 119 N 1
   ATOM 2280 CA . HIS A 120 ? 10.78197 41.73148 25.27096 1.000 18.86766 C ? A ? 119 CA 1
   ATOM 2281 C . HIS A 120 ? 11.92286 42.11399 26.18072 1.000 22.28722 C ? A ? 119 C 1
   ATOM 2282 O . HIS A 120 ? 12.58537 41.22341 26.71484 1.000 22.60528 O ? A ? 119 O 1
   ATOM 2283 CB . HIS A 120 ? 11.18552 41.84078 23.80291 1.000 20.03545 C ? A ? 119 CB 1
   ATOM 2284 CG . HIS A 120 ? 10.13733 41.29143 22.91526 1.000 18.13667 C ? A ? 119 CG 1
   ATOM 2285 ND1 . HIS A 120 ? 10.01537 41.66710 21.60531 1.000 19.40522 N ? A ? 119 ND1 1
   ATOM 2286 CD2 . HIS A 120 ? 9.18985 40.36909 23.12714 1.000 17.86041 C ? A ? 119 CD2 1
   ATOM 2287 CE1 . HIS A 120 ? 8.98764 41.00915 21.05221 1.000 18.46425 C ? A ? 119 CE1 1
   ATOM 2288 NE2 . HIS A 120 ? 8.48355 40.22162 21.98755 1.000 18.15046 N ? A ? 119 NE2 1
   ATOM 2289 H . HIS A 120 ? 9.32357 43.00972 24.89608 1.000 24.60938 H ? A ? 119 H 1
   ATOM 2290 HA . HIS A 120 ? 10.55582 40.80024 25.42112 1.000 22.64120 H ? A ? 119 HA 1
   ATOM 2291 HB2 . HIS A 120 ? 11.32146 42.77392 23.57562 1.000 24.04253 H ? A ? 119 HB2 1
   ATOM 2292 HB3 . HIS A 120 ? 12.00390 41.34104 23.65653 1.000 24.04253 H ? A ? 119 HB3 1
   ATOM 2293 HD2 . HIS A 120 ? 9.04406 39.90967 23.92249 1.000 21.43250 H ? A ? 119 HD2 1
   ATOM 2294 HE1 . HIS A 120 ? 8.68584 41.09077 20.17633 1.000 22.15710 H ? A ? 119 HE1 1
   ATOM 2295 HE2 . HIS A 120 ? 7.80992 39.69690 21.88505 1.000 21.78055 H ? A ? 119 HE2 1
   ATOM 2296 N . ASP A 121 ? 12.10659 43.40884 26.40690 1.000 26.01546 N ? A ? 120 N 1
   ATOM 2297 CA . ASP A 121 ? 13.22862 43.87404 27.22696 1.000 26.76639 C ? A ? 120 CA 1
   ATOM 2298 C . ASP A 121 ? 13.12123 43.32964 28.62216 1.000 26.38261 C ? A ? 120 C 1
   ATOM 2299 O . ASP A 121 ? 14.15725 43.07110 29.27204 1.000 29.45189 O ? A ? 120 O 1
   ATOM 2300 CB . ASP A 121 ? 13.28554 45.40599 27.19697 1.000 25.28604 C ? A ? 120 CB 1
   ATOM 2301 CG . ASP A 121 ? 13.79582 45.95199 25.86687 1.000 25.99785 C ? A ? 120 CG 1
   ATOM 2302 OD1 . ASP A 121 ? 14.24949 45.22997 24.97792 1.000 34.18015 O ? A ? 120 OD1 1
   ATOM 2303 OD2 . ASP A 121 ? 13.68390 47.18027 25.72234 1.000 38.81051 O ? A ? 120 OD2 1
   ATOM 2304 H . ASP A 121 ? 11.60393 44.03681 26.10260 1.000 31.21855 H ? A ? 120 H 1
   ATOM 2305 HA . ASP A 121 ? 14.06887 43.55548 26.86171 1.000 32.11967 H ? A ? 120 HA 1
   ATOM 2306 HB2 . ASP A 121 ? 12.39374 45.75832 27.34345 1.000 30.34325 H ? A ? 120 HB2 1
   ATOM 2307 HB3 . ASP A 121 ? 13.88290 45.71382 27.89647 1.000 30.34325 H ? A ? 120 HB3 1
   ATOM 2308 N . ALA A 122 ? 11.91547 43.18540 29.15438 1.000 22.19730 N ? A ? 121 N 1
   ATOM 2309 CA . ALA A 122 ? 11.74316 42.66536 30.48670 1.000 19.45237 C ? A ? 121 CA 1
   ATOM 2310 C . ALA A 122 ? 11.59383 41.17257 30.59139 1.000 20.14481 C ? A ? 121 C 1
   ATOM 2311 O . ALA A 122 ? 11.91010 40.60276 31.65561 1.000 24.60476 O ? A ? 121 O 1
   ATOM 2312 CB . ALA A 122 ? 10.57275 43.31486 31.23076 1.000 24.73372 C ? A ? 121 CB 1
   ATOM 2313 H . ALA A 122 ? 11.18015 43.38501 28.75555 1.000 26.63676 H ? A ? 121 H 1
   ATOM 2314 HA . ALA A 122 ? 12.56238 42.91037 30.94468 1.000 23.34285 H ? A ? 121 HA 1
   ATOM 2315 HB1 . ALA A 122 ? 10.51129 42.93077 32.11935 1.000 29.68046 H ? A ? 121 HB1 1
   ATOM 2316 HB2 . ALA A 122 ? 10.72942 44.27007 31.29339 1.000 29.68046 H ? A ? 121 HB2 1
   ATOM 2317 HB3 . ALA A 122 ? 9.75347 43.14553 30.73983 1.000 29.68046 H ? A ? 121 HB3 1
   ATOM 2318 N . TYR A 123 ? 11.04523 40.49389 29.57012 1.000 21.09762 N ? A ? 122 N 1
   ATOM 2319 CA . TYR A 123 ? 10.48094 39.18548 29.79099 1.000 20.31913 C ? A ? 122 CA 1
   ATOM 2320 C . TYR A 123 ? 10.88898 38.14873 28.76845 1.000 16.74911 C ? A ? 122 C 1
   ATOM 2321 O . TYR A 123 ? 10.46837 36.99883 28.93190 1.000 20.94670 O ? A ? 122 O 1
   ATOM 2322 CB . TYR A 123 ? 8.93784 39.20177 29.86355 1.000 20.15657 C ? A ? 122 CB 1
   ATOM 2323 CG . TYR A 123 ? 8.41474 39.96453 31.01910 1.000 20.75339 C ? A ? 122 CG 1
   ATOM 2324 CD1 . TYR A 123 ? 8.72761 39.51240 32.26194 1.000 19.74689 C ? A ? 122 CD1 1
   ATOM 2325 CD2 . TYR A 123 ? 7.63546 41.11925 30.91054 1.000 20.03459 C ? A ? 122 CD2 1
   ATOM 2326 CE1 . TYR A 123 ? 8.29379 40.18347 33.45816 1.000 23.71411 C ? A ? 122 CE1 1
   ATOM 2327 CE2 . TYR A 123 ? 7.20849 41.80386 32.12936 1.000 21.10883 C ? A ? 122 CE2 1
   ATOM 2328 CZ . TYR A 123 ? 7.50178 41.28832 33.35199 1.000 27.40209 C ? A ? 122 CZ 1
   ATOM 2329 OH . TYR A 123 ? 7.03626 41.96663 34.44580 1.000 29.40849 O ? A ? 122 OH 1
   ATOM 2330 H . TYR A 123 ? 10.99630 40.77851 28.76006 1.000 25.31715 H ? A ? 122 H 1
   ATOM 2331 HA . TYR A 123 ? 10.80436 38.90606 30.66176 1.000 24.38296 H ? A ? 122 HA 1
   ATOM 2332 HB2 . TYR A 123 ? 8.59004 39.60955 29.05506 1.000 24.18788 H ? A ? 122 HB2 1
   ATOM 2333 HB3 . TYR A 123 ? 8.61766 38.28926 29.93907 1.000 24.18788 H ? A ? 122 HB3 1
   ATOM 2334 HD1 . TYR A 123 ? 9.24090 38.74102 32.34202 1.000 23.69626 H ? A ? 122 HD1 1
   ATOM 2335 HD2 . TYR A 123 ? 7.39203 41.44739 30.07509 1.000 24.04151 H ? A ? 122 HD2 1
   ATOM 2336 HE1 . TYR A 123 ? 8.55055 39.86738 34.29425 1.000 28.45693 H ? A ? 122 HE1 1
   ATOM 2337 HE2 . TYR A 123 ? 6.73157 42.59987 32.06752 1.000 25.33059 H ? A ? 122 HE2 1
   ATOM 2338 HH . TYR A 123 ? 6.73832 42.71681 34.21327 1.000 35.29019 H ? A ? 122 HH 1
   ATOM 2339 N A ARG A 124 ? 11.71989 38.48600 27.78850 0.408 20.31255 N ? A ? 123 N 1
   ATOM 2340 CA A ARG A 124 ? 12.15581 37.55675 26.74469 0.408 20.42300 C ? A ? 123 CA 1
   ATOM 2341 C A ARG A 124 ? 13.66404 37.38297 26.85907 0.408 24.98634 C ? A ? 123 C 1
   ATOM 2342 O A ARG A 124 ? 14.39753 38.37236 26.94258 0.408 24.39292 O ? A ? 123 O 1
   ATOM 2343 CB A ARG A 124 ? 11.73712 38.08761 25.38324 0.408 22.09842 C ? A ? 123 CB 1
   ATOM 2344 CG A ARG A 124 ? 12.12479 37.22853 24.24715 0.408 19.86622 C ? A ? 123 CG 1
   ATOM 2345 CD A ARG A 124 ? 11.53104 37.72960 22.96044 0.408 20.84553 C ? A ? 123 CD 1
   ATOM 2346 NE A ARG A 124 ? 11.99063 36.90067 21.86286 0.408 23.06836 N ? A ? 123 NE 1
   ATOM 2347 CZ A ARG A 124 ? 11.67535 37.13260 20.59501 0.408 23.16753 C ? A ? 123 CZ 1
   ATOM 2348 NH1 A ARG A 124 ? 10.87446 38.12126 20.25741 0.408 19.30445 N ? A ? 123 NH1 1
   ATOM 2349 NH2 A ARG A 124 ? 12.14492 36.32452 19.65413 0.408 20.22519 N ? A ? 123 NH2 1
   ATOM 2350 H A ARG A 124 ? 12.05699 39.27243 27.70198 0.408 24.37506 H ? A ? 123 H 1
   ATOM 2351 HA A ARG A 124 ? 11.75867 36.67841 26.85286 0.408 24.50760 H ? A ? 123 HA 1
   ATOM 2352 HB2 A ARG A 124 ? 10.77111 38.17438 25.36899 0.408 26.51811 H ? A ? 123 HB2 1
   ATOM 2353 HB3 A ARG A 124 ? 12.15014 38.95500 25.24927 0.408 26.51811 H ? A ? 123 HB3 1
   ATOM 2354 HG2 A ARG A 124 ? 13.09074 37.22721 24.15864 0.408 23.83947 H ? A ? 123 HG2 1
   ATOM 2355 HG3 A ARG A 124 ? 11.80451 36.32599 24.40122 0.408 23.83947 H ? A ? 123 HG3 1
   ATOM 2356 HD2 A ARG A 124 ? 10.56315 37.68343 23.00469 0.408 25.01463 H ? A ? 123 HD2 1
   ATOM 2357 HD3 A ARG A 124 ? 11.81267 38.64424 22.80226 0.408 25.01463 H ? A ? 123 HD3 1
   ATOM 2358 HE A ARG A 124 ? 12.49218 36.22556 22.04253 0.408 27.68203 H ? A ? 123 HE 1
   ATOM 2359 HH11 A ARG A 124 ? 10.54365 38.63303 20.86425 0.408 23.16534 H ? A ? 123 HH11 1
   ATOM 2360 HH12 A ARG A 124 ? 10.68204 38.25538 19.43001 0.408 23.16534 H ? A ? 123 HH12 1
   ATOM 2361 HH21 A ARG A 124 ? 12.64697 35.66021 19.86916 0.408 24.27023 H ? A ? 123 HH21 1
   ATOM 2362 HH22 A ARG A 124 ? 11.94738 36.46481 18.82897 0.408 24.27023 H ? A ? 123 HH22 1
   ATOM 2363 N B ARG A 124 ? 11.70810 38.48384 27.78252 0.592 20.28793 N ? A ? 123 N 1
   ATOM 2364 CA B ARG A 124 ? 12.13886 37.53007 26.75542 0.592 20.39921 C ? A ? 123 CA 1
   ATOM 2365 C B ARG A 124 ? 13.65199 37.35609 26.84230 0.592 25.02620 C ? A ? 123 C 1
   ATOM 2366 O B ARG A 124 ? 14.39113 38.34200 26.86737 0.592 24.38695 O ? A ? 123 O 1
   ATOM 2367 CB B ARG A 124 ? 11.67286 37.97092 25.38432 0.592 21.91163 C ? A ? 123 CB 1
   ATOM 2368 CG B ARG A 124 ? 11.85721 36.90180 24.41322 0.592 19.47950 C ? A ? 123 CG 1
   ATOM 2369 CD B ARG A 124 ? 11.35892 37.26692 22.97560 0.592 18.81404 C ? A ? 123 CD 1
   ATOM 2370 NE B ARG A 124 ? 12.20995 38.30724 22.40591 0.592 19.45955 N ? A ? 123 NE 1
   ATOM 2371 CZ B ARG A 124 ? 12.01579 38.81497 21.19222 0.592 21.84118 C ? A ? 123 CZ 1
   ATOM 2372 NH1 B ARG A 124 ? 10.96449 38.47967 20.48225 0.592 21.46074 N ? A ? 123 NH1 1
   ATOM 2373 NH2 B ARG A 124 ? 12.84045 39.76052 20.73817 0.592 23.41334 N ? A ? 123 NH2 1
   ATOM 2374 H B ARG A 124 ? 12.03716 39.27182 27.68051 0.592 24.34552 H ? A ? 123 H 1
   ATOM 2375 HA B ARG A 124 ? 11.75153 36.65453 26.91136 0.592 24.47905 H ? A ? 123 HA 1
   ATOM 2376 HB2 B ARG A 124 ? 10.73044 38.19782 25.41981 0.592 26.29395 H ? A ? 123 HB2 1
   ATOM 2377 HB3 B ARG A 124 ? 12.18897 38.74096 25.09873 0.592 26.29395 H ? A ? 123 HB3 1
   ATOM 2378 HG2 B ARG A 124 ? 12.80241 36.69202 24.35420 0.592 23.37540 H ? A ? 123 HG2 1
   ATOM 2379 HG3 B ARG A 124 ? 11.36207 36.12174 24.70860 0.592 23.37540 H ? A ? 123 HG3 1
   ATOM 2380 HD2 B ARG A 124 ? 11.40036 36.48305 22.40575 0.592 22.57685 H ? A ? 123 HD2 1
   ATOM 2381 HD3 B ARG A 124 ? 10.44813 37.59780 23.01892 0.592 22.57685 H ? A ? 123 HD3 1
   ATOM 2382 HE B ARG A 124 ? 12.86578 38.60489 22.87589 0.592 23.35146 H ? A ? 123 HE 1
   ATOM 2383 HH11 B ARG A 124 ? 10.38983 37.92467 20.80058 0.592 25.75289 H ? A ? 123 HH11 1
   ATOM 2384 HH12 B ARG A 124 ? 10.85011 38.81491 19.69858 0.592 25.75289 H ? A ? 123 HH12 1
   ATOM 2385 HH21 B ARG A 124 ? 13.49040 40.03626 21.22924 0.592 28.09601 H ? A ? 123 HH21 1
   ATOM 2386 HH22 B ARG A 124 ? 12.72204 40.09424 19.95446 0.592 28.09601 H ? A ? 123 HH22 1
   ATOM 2387 N A LYS A 125 ? 14.11287 36.12602 26.87536 0.408 22.68964 N ? A ? 124 N 1
   ATOM 2388 CA A LYS A 125 ? 15.53961 35.85466 26.92748 0.408 26.25154 C ? A ? 124 CA 1
   ATOM 2389 C A LYS A 125 ? 16.20041 36.23778 25.60891 0.408 31.29145 C ? A ? 124 C 1
   ATOM 2390 O A LYS A 125 ? 15.58642 36.17415 24.53475 0.408 28.75208 O ? A ? 124 O 1
   ATOM 2391 CB A LYS A 125 ? 15.80717 34.36208 27.16116 0.408 25.48180 C ? A ? 124 CB 1
   ATOM 2392 CG A LYS A 125 ? 15.17866 33.78121 28.40937 0.408 24.70581 C ? A ? 124 CG 1
   ATOM 2393 CD A LYS A 125 ? 15.64132 32.34559 28.67121 0.408 25.40071 C ? A ? 124 CD 1
   ATOM 2394 CE A LYS A 125 ? 15.00383 31.85100 29.95597 0.408 21.80815 C ? A ? 124 CE 1
   ATOM 2395 NZ A LYS A 125 ? 15.60939 30.57525 30.43868 0.408 23.43134 N ? A ? 124 NZ 1
   ATOM 2396 H A LYS A 125 ? 13.61437 35.42547 26.85709 0.408 27.22757 H ? A ? 124 H 1
   ATOM 2397 HA A LYS A 125 ? 15.92204 36.36714 27.65687 0.408 31.50185 H ? A ? 124 HA 1
   ATOM 2398 HB2 A LYS A 125 ? 15.45860 33.86647 26.40369 0.408 30.57816 H ? A ? 124 HB2 1
   ATOM 2399 HB3 A LYS A 125 ? 16.76563 34.23032 27.23114 0.408 30.57816 H ? A ? 124 HB3 1
   ATOM 2400 HG2 A LYS A 125 ? 15.42764 34.32351 29.17411 0.408 29.64697 H ? A ? 124 HG2 1
   ATOM 2401 HG3 A LYS A 125 ? 14.21405 33.77435 28.30747 0.408 29.64697 H ? A ? 124 HG3 1
   ATOM 2402 HD2 A LYS A 125 ? 15.36608 31.77037 27.94028 0.408 30.48086 H ? A ? 124 HD2 1
   ATOM 2403 HD3 A LYS A 125 ? 16.60621 32.32091 28.76756 0.408 30.48086 H ? A ? 124 HD3 1
   ATOM 2404 HE2 A LYS A 125 ? 15.12221 32.52090 30.64743 0.408 26.16978 H ? A ? 124 HE2 1
   ATOM 2405 HE3 A LYS A 125 ? 14.05867 31.69628 29.80227 0.408 26.16978 H ? A ? 124 HE3 1
   ATOM 2406 HZ1 A LYS A 125 ? 15.10593 29.88541 30.18819 0.408 28.11761 H ? A ? 124 HZ1 1
   ATOM 2407 HZ2 A LYS A 125 ? 16.42506 30.47686 30.09648 0.408 28.11761 H ? A ? 124 HZ2 1
   ATOM 2408 HZ3 A LYS A 125 ? 15.66772 30.58287 31.32673 0.408 28.11761 H ? A ? 124 HZ3 1
   ATOM 2409 N B LYS A 125 ? 14.10437 36.10213 26.87318 0.592 22.69863 N ? A ? 124 N 1
   ATOM 2410 CA B LYS A 125 ? 15.53555 35.85472 26.92656 0.592 26.21838 C ? A ? 124 CA 1
   ATOM 2411 C B LYS A 125 ? 16.19719 36.24045 25.60892 0.592 31.29250 C ? A ? 124 C 1
   ATOM 2412 O B LYS A 125 ? 15.58368 36.17639 24.53236 0.592 28.69711 O ? A ? 124 O 1
   ATOM 2413 CB B LYS A 125 ? 15.82762 34.36779 27.17576 0.592 25.46643 C ? A ? 124 CB 1
   ATOM 2414 CG B LYS A 125 ? 15.29097 33.81088 28.48121 0.592 24.67461 C ? A ? 124 CG 1
   ATOM 2415 CD B LYS A 125 ? 15.74543 32.36591 28.71905 0.592 25.36649 C ? A ? 124 CD 1
   ATOM 2416 CE B LYS A 125 ? 15.23834 31.94417 30.07497 0.592 21.60234 C ? A ? 124 CE 1
   ATOM 2417 NZ B LYS A 125 ? 15.67799 30.59447 30.49075 0.592 23.43877 N ? A ? 124 NZ 1
   ATOM 2418 H B LYS A 125 ? 13.61177 35.39725 26.86422 0.592 27.23835 H ? A ? 124 H 1
   ATOM 2419 HA B LYS A 125 ? 15.90767 36.38106 27.65139 0.592 31.46206 H ? A ? 124 HA 1
   ATOM 2420 HB2 B LYS A 125 ? 15.42957 33.85328 26.45622 0.592 30.55972 H ? A ? 124 HB2 1
   ATOM 2421 HB3 B LYS A 125 ? 16.78939 34.24185 27.18099 0.592 30.55972 H ? A ? 124 HB3 1
   ATOM 2422 HG2 B LYS A 125 ? 15.61331 34.35464 29.21695 0.592 29.60954 H ? A ? 124 HG2 1
   ATOM 2423 HG3 B LYS A 125 ? 14.32130 33.82358 28.45927 0.592 29.60954 H ? A ? 124 HG3 1
   ATOM 2424 HD2 B LYS A 125 ? 15.37289 31.78081 28.04098 0.592 30.43979 H ? A ? 124 HD2 1
   ATOM 2425 HD3 B LYS A 125 ? 16.71388 32.31233 28.70780 0.592 30.43979 H ? A ? 124 HD3 1
   ATOM 2426 HE2 B LYS A 125 ? 15.55994 32.57533 30.73763 0.592 25.92281 H ? A ? 124 HE2 1
   ATOM 2427 HE3 B LYS A 125 ? 14.26848 31.94551 30.05875 0.592 25.92281 H ? A ? 124 HE3 1
   ATOM 2428 HZ1 B LYS A 125 ? 15.10539 29.98225 30.19174 0.592 28.12652 H ? A ? 124 HZ1 1
   ATOM 2429 HZ2 B LYS A 125 ? 16.48534 30.42152 30.15851 0.592 28.12652 H ? A ? 124 HZ2 1
   ATOM 2430 HZ3 B LYS A 125 ? 15.71469 30.54637 31.37869 0.592 28.12652 H ? A ? 124 HZ3 1
   ATOM 2431 N . LYS A 126 ? 17.47898 36.60305 25.68834 1.000 35.28333 N ? A ? 125 N 1
   ATOM 2432 CA . LYS A 126 ? 18.22737 36.91792 24.47596 1.000 42.00617 C ? A ? 125 CA 1
   ATOM 2433 C . LYS A 126 ? 18.34309 35.67428 23.60702 1.000 48.89081 C ? A ? 125 C 1
   ATOM 2434 O . LYS A 126 ? 18.41775 34.54826 24.11053 1.000 49.11565 O ? A ? 125 O 1
   ATOM 2435 HA . LYS A 126 ? 17.76854 37.60638 23.96960 1.000 50.40740 H ? A ? 125 HA 1
   ATOM 2436 CB A LYS A 126 ? 19.61521 37.45362 24.83785 0.535 54.74094 C ? A ? 125 CB 1
   ATOM 2437 CG A LYS A 126 ? 19.61512 38.75860 25.64479 0.535 51.21916 C ? A ? 125 CG 1
   ATOM 2438 CD A LYS A 126 ? 19.26861 39.99247 24.80366 0.535 50.43180 C ? A ? 125 CD 1
   ATOM 2439 CE A LYS A 126 ? 20.36463 40.30577 23.78263 0.535 64.90525 C ? A ? 125 CE 1
   ATOM 2440 NZ A LYS A 126 ? 20.04774 41.47892 22.91220 0.535 56.08768 N ? A ? 125 NZ 1
   ATOM 2441 H A LYS A 126 ? 17.92739 36.67475 26.41868 0.408 42.34000 H ? A ? 125 H 1
   ATOM 2442 HB2 A LYS A 126 ? 20.07441 36.78362 25.36806 0.535 65.68913 H ? A ? 125 HB2 1
   ATOM 2443 HB3 A LYS A 126 ? 20.10424 37.61925 24.01668 0.535 65.68913 H ? A ? 125 HB3 1
   ATOM 2444 HG2 A LYS A 126 ? 18.95798 38.68901 26.35486 0.535 61.46300 H ? A ? 125 HG2 1
   ATOM 2445 HG3 A LYS A 126 ? 20.49824 38.89480 26.02222 0.535 61.46300 H ? A ? 125 HG3 1
   ATOM 2446 HD2 A LYS A 126 ? 18.44194 39.83086 24.32263 0.535 60.51817 H ? A ? 125 HD2 1
   ATOM 2447 HD3 A LYS A 126 ? 19.16807 40.76062 25.38738 0.535 60.51817 H ? A ? 125 HD3 1
   ATOM 2448 HE2 A LYS A 126 ? 21.18817 40.50139 24.25636 0.535 77.88630 H ? A ? 125 HE2 1
   ATOM 2449 HE3 A LYS A 126 ? 20.48781 39.53422 23.20779 0.535 77.88630 H ? A ? 125 HE3 1
   ATOM 2450 HZ1 A LYS A 126 ? 20.71268 41.62016 22.33775 0.535 67.30522 H ? A ? 125 HZ1 1
   ATOM 2451 HZ2 A LYS A 126 ? 19.29925 41.32585 22.45566 0.535 67.30522 H ? A ? 125 HZ2 1
   ATOM 2452 HZ3 A LYS A 126 ? 19.93769 42.20745 23.41144 0.535 67.30522 H ? A ? 125 HZ3 1
   ATOM 2453 CB B LYS A 126 ? 19.61766 37.44437 24.83788 0.465 54.74824 C ? A ? 125 CB 1
   ATOM 2454 CG B LYS A 126 ? 20.52651 37.72424 23.64042 0.465 57.30144 C ? A ? 125 CG 1
   ATOM 2455 CD B LYS A 126 ? 19.93643 38.77802 22.70232 0.465 62.48920 C ? A ? 125 CD 1
   ATOM 2456 CE B LYS A 126 ? 20.82683 38.99045 21.48802 0.465 58.63470 C ? A ? 125 CE 1
   ATOM 2457 NZ B LYS A 126 ? 20.20996 39.93550 20.52119 0.465 67.44960 N ? A ? 125 NZ 1
   ATOM 2458 H B LYS A 126 ? 17.92800 36.67251 26.41852 0.592 42.34000 H ? A ? 125 H 1
   ATOM 2459 HB2 B LYS A 126 ? 19.51467 38.27564 25.32704 0.465 65.69789 H ? A ? 125 HB2 1
   ATOM 2460 HB3 B LYS A 126 ? 20.06169 36.78510 25.39385 0.465 65.69789 H ? A ? 125 HB3 1
   ATOM 2461 HG2 B LYS A 126 ? 21.38296 38.04935 23.95934 0.465 68.76173 H ? A ? 125 HG2 1
   ATOM 2462 HG3 B LYS A 126 ? 20.64970 36.90528 23.13542 0.465 68.76173 H ? A ? 125 HG3 1
   ATOM 2463 HD2 B LYS A 126 ? 19.06427 38.48478 22.39532 0.465 74.98704 H ? A ? 125 HD2 1
   ATOM 2464 HD3 B LYS A 126 ? 19.85562 39.62150 23.17444 0.465 74.98704 H ? A ? 125 HD3 1
   ATOM 2465 HE2 B LYS A 126 ? 21.67776 39.35808 21.77379 0.465 70.36164 H ? A ? 125 HE2 1
   ATOM 2466 HE3 B LYS A 126 ? 20.96600 38.14190 21.03912 0.465 70.36164 H ? A ? 125 HE3 1
   ATOM 2467 HZ1 B LYS A 126 ? 20.74335 40.04155 19.81667 0.465 80.93951 H ? A ? 125 HZ1 1
   ATOM 2468 HZ2 B LYS A 126 ? 19.42548 39.61905 20.24452 0.465 80.93951 H ? A ? 125 HZ2 1
   ATOM 2469 HZ3 B LYS A 126 ? 20.08200 40.72663 20.90828 0.465 80.93951 H ? A ? 125 HZ3 1
   ATOM 2470 N . LYS A 127 ? 18.30423 35.88621 22.29700 1.000 52.76215 N ? A ? 126 N 1
   ATOM 2471 CA . LYS A 127 ? 18.35459 34.82955 21.29770 1.000 57.27505 C ? A ? 126 CA 1
   ATOM 2472 C . LYS A 127 ? 19.54303 33.88813 21.41615 1.000 58.85977 C ? A ? 126 C 1
   ATOM 2473 O . LYS A 127 ? 20.66175 34.31109 21.70363 1.000 58.51288 O ? A ? 126 O 1
   ATOM 2474 H . LYS A 127 ? 18.24613 36.66922 21.94612 1.000 63.31458 H ? A ? 126 H 1
   ATOM 2475 HA . LYS A 127 ? 17.57085 34.27543 21.43775 1.000 68.73006 H ? A ? 126 HA 1
   ATOM 2476 CB A LYS A 127 ? 18.34493 35.45767 19.88923 0.599 65.10019 C ? A ? 126 CB 1
   ATOM 2477 CG A LYS A 127 ? 19.44053 36.52408 19.63739 0.599 63.45302 C ? A ? 126 CG 1
   ATOM 2478 CD A LYS A 127 ? 19.17379 37.31862 18.33326 0.599 68.50234 C ? A ? 126 CD 1
   ATOM 2479 CE A LYS A 127 ? 19.05294 36.40247 17.12123 0.599 67.96672 C ? A ? 126 CE 1
   ATOM 2480 NZ A LYS A 127 ? 18.77880 37.15330 15.85484 0.599 61.31459 N ? A ? 126 NZ 1
   ATOM 2481 HB2 A LYS A 127 ? 18.47256 34.75072 19.23743 0.599 78.12023 H ? A ? 126 HB2 1
   ATOM 2482 HB3 A LYS A 127 ? 17.48566 35.88577 19.75038 0.599 78.12023 H ? A ? 126 HB3 1
   ATOM 2483 HG2 A LYS A 127 ? 19.45514 37.15039 20.37795 0.599 76.14363 H ? A ? 126 HG2 1
   ATOM 2484 HG3 A LYS A 127 ? 20.30221 36.08609 19.55627 0.599 76.14363 H ? A ? 126 HG3 1
   ATOM 2485 HD2 A LYS A 127 ? 18.34349 37.81187 18.42392 0.599 82.20281 H ? A ? 126 HD2 1
   ATOM 2486 HD3 A LYS A 127 ? 19.90874 37.93208 18.17700 0.599 82.20281 H ? A ? 126 HD3 1
   ATOM 2487 HE2 A LYS A 127 ? 19.88457 35.91625 17.00772 0.599 81.56007 H ? A ? 126 HE2 1
   ATOM 2488 HE3 A LYS A 127 ? 18.32234 35.78099 17.26572 0.599 81.56007 H ? A ? 126 HE3 1
   ATOM 2489 HZ1 A LYS A 127 ? 18.73036 36.58725 15.16976 0.599 73.57751 H ? A ? 126 HZ1 1
   ATOM 2490 HZ2 A LYS A 127 ? 18.00742 37.59211 15.92204 0.599 73.57751 H ? A ? 126 HZ2 1
   ATOM 2491 HZ3 A LYS A 127 ? 19.43144 37.73839 15.70050 0.599 73.57751 H ? A ? 126 HZ3 1
   ATOM 2492 CB B LYS A 127 ? 18.34968 35.45564 19.88619 0.401 65.07323 C ? A ? 126 CB 1
   ATOM 2493 CG B LYS A 127 ? 17.27849 36.52159 19.63137 0.401 65.52672 C ? A ? 126 CG 1
   ATOM 2494 CD B LYS A 127 ? 15.88870 35.93988 19.76564 0.401 46.39733 C ? A ? 126 CD 1
   ATOM 2495 CE B LYS A 127 ? 14.82805 36.96125 19.46406 0.401 42.30219 C ? A ? 126 CE 1
   ATOM 2496 NZ B LYS A 127 ? 13.45820 36.34154 19.49001 0.401 41.96344 N ? A ? 126 NZ 1
   ATOM 2497 HB2 B LYS A 127 ? 19.21207 35.87371 19.73652 0.401 78.08787 H ? A ? 126 HB2 1
   ATOM 2498 HB3 B LYS A 127 ? 18.20826 34.74626 19.23991 0.401 78.08787 H ? A ? 126 HB3 1
   ATOM 2499 HG2 B LYS A 127 ? 17.37501 37.23748 20.27873 0.401 78.63206 H ? A ? 126 HG2 1
   ATOM 2500 HG3 B LYS A 127 ? 17.37876 36.87157 18.73229 0.401 78.63206 H ? A ? 126 HG3 1
   ATOM 2501 HD2 B LYS A 127 ? 15.78774 35.20345 19.14245 0.401 55.67679 H ? A ? 126 HD2 1
   ATOM 2502 HD3 B LYS A 127 ? 15.75894 35.62582 20.67417 0.401 55.67679 H ? A ? 126 HD3 1
   ATOM 2503 HE2 B LYS A 127 ? 14.85905 37.66530 20.13058 0.401 50.76263 H ? A ? 126 HE2 1
   ATOM 2504 HE3 B LYS A 127 ? 14.97990 37.33329 18.58120 0.401 50.76263 H ? A ? 126 HE3 1
   ATOM 2505 HZ1 B LYS A 127 ? 12.84590 36.94695 19.26491 0.401 50.35613 H ? A ? 126 HZ1 1
   ATOM 2506 HZ2 B LYS A 127 ? 13.41969 35.66392 18.91429 0.401 50.35613 H ? A ? 126 HZ2 1
   ATOM 2507 HZ3 B LYS A 127 ? 13.27711 36.03739 20.30659 0.401 50.35613 H ? A ? 126 HZ3 1
   HETATM 2508 N . PCA A 1 ? -5.48681 23.80456 27.98184 1.000 16.86381 N ? A ? 127 N 1
   HETATM 2509 CA . PCA A 1 ? -5.66192 23.09637 26.71984 1.000 16.98310 C ? A ? 127 CA 1
   HETATM 2510 C . PCA A 1 ? -4.37569 22.45402 26.40547 1.000 16.75630 C ? A ? 127 C 1
   HETATM 2511 O . PCA A 1 ? -4.21182 21.86581 25.28819 1.000 21.12319 O ? A ? 127 O 1
   HETATM 2512 CB . PCA A 1 ? -6.02810 24.18974 25.76719 1.000 19.19619 C ? A ? 127 CB 1
   HETATM 2513 CG . PCA A 1 ? -5.42127 25.39518 26.32119 1.000 18.15213 C ? A ? 127 CG 1
   HETATM 2514 CD . PCA A 1 ? -5.31950 25.15389 27.81709 1.000 16.81282 C ? A ? 127 CD 1
   HETATM 2515 OE . PCA A 1 ? -5.07638 26.08308 28.56824 1.000 16.81049 O ? A ? 127 OE 1
   HETATM 2516 H2 . PCA A 1 ? -6.22560 24.29546 28.06175 1.000 20.23657 H ? A ? 127 H2 1
   HETATM 2517 HA . PCA A 1 ? -6.33362 22.39717 26.69060 1.000 20.37973 H ? A ? 127 HA 1
   HETATM 2518 HB2 . PCA A 1 ? -5.68883 23.99149 24.88035 1.000 23.03543 H ? A ? 127 HB2 1
   HETATM 2519 HB3 . PCA A 1 ? -6.99251 24.27037 25.70154 1.000 23.03543 H ? A ? 127 HB3 1
   HETATM 2520 HG2 . PCA A 1 ? -4.53343 25.57020 25.97189 1.000 21.78256 H ? A ? 127 HG2 1
   HETATM 2521 HG3 . PCA A 1 ? -5.95104 26.19332 26.16885 1.000 21.78256 H ? A ? 127 HG3 1
   HETATM 2522 NB . HEC A 128 ? 5.92523 40.08693 20.36815 1.000 18.06123 N ? B ? . NB 1
   HETATM 2523 ND . HEC A 128 ? 7.35734 37.48006 23.07807 1.000 16.27346 N ? B ? . ND 1
   HETATM 2524 C1A . HEC A 128 ? 8.11359 36.52095 20.36869 1.000 18.86809 C ? B ? . C1A 1
   HETATM 2525 C1B . HEC A 128 ? 6.17605 40.07014 19.00121 1.000 16.71240 C ? B ? . C1B 1
   HETATM 2526 C1C . HEC A 128 ? 4.88209 40.91219 22.98904 1.000 17.86555 C ? B ? . C1C 1
   HETATM 2527 C1D . HEC A 128 ? 7.17927 37.54354 24.46679 1.000 17.42848 C ? B ? . C1D 1
   HETATM 2528 C2A . HEC A 128 ? 8.53504 35.97533 19.12290 1.000 18.76952 C ? B ? . C2A 1
   HETATM 2529 C2B . HEC A 128 ? 5.62859 41.27428 18.42291 1.000 18.00766 C ? B ? . C2B 1
   HETATM 2530 C2C . HEC A 128 ? 4.40698 41.37845 24.28605 1.000 18.36675 C ? B ? . C2C 1
   HETATM 2531 C2D . HEC A 128 ? 7.77796 36.44652 25.12040 1.000 15.64576 C ? B ? . C2D 1
   HETATM 2532 C3A . HEC A 128 ? 8.11457 36.84546 18.18648 1.000 15.39967 C ? B ? . C3A 1
   HETATM 2533 C3B . HEC A 128 ? 4.92584 41.92959 19.35954 1.000 17.25055 C ? B ? . C3B 1
   HETATM 2534 C3C . HEC A 128 ? 4.93041 40.55663 25.21631 1.000 16.47553 C ? B ? . C3C 1
   HETATM 2535 C3D . HEC A 128 ? 8.34692 35.61645 24.10165 1.000 16.35131 C ? B ? . C3D 1
   HETATM 2536 C4A . HEC A 128 ? 7.51646 37.97449 18.85075 1.000 17.05632 C ? B ? . C4A 1
   HETATM 2537 C4B . HEC A 128 ? 5.14060 41.17127 20.60016 1.000 15.71175 C ? B ? . C4B 1
   HETATM 2538 C4C . HEC A 128 ? 5.71978 39.53863 24.52748 1.000 15.82707 C ? B ? . C4C 1
   HETATM 2539 C4D . HEC A 128 ? 8.08265 36.32918 22.84656 1.000 15.71040 C ? B ? . C4D 1
   HETATM 2540 CAA . HEC A 128 ? 9.24853 34.66366 18.81030 1.000 16.29978 C ? B ? . CAA 1
   HETATM 2541 CAB . HEC A 128 ? 4.10816 43.23204 19.30070 1.000 18.09745 C ? B ? . CAB 1
   HETATM 2542 CAC . HEC A 128 ? 4.83504 40.54167 26.72547 1.000 16.21376 C ? B ? . CAC 1
   HETATM 2543 CAD . HEC A 128 ? 9.09803 34.32102 24.18642 1.000 17.95395 C ? B ? . CAD 1
   HETATM 2544 CBA . HEC A 128 ? 8.22473 33.57148 18.68470 1.000 18.45214 C ? B ? . CBA 1
   HETATM 2545 CBB . HEC A 128 ? 3.07815 43.24628 18.12598 1.000 17.48759 C ? B ? . CBB 1
   HETATM 2546 CBC . HEC A 128 ? 3.54874 41.24081 27.33253 1.000 19.44277 C ? B ? . CBC 1
   HETATM 2547 CBD . HEC A 128 ? 8.07774 33.17511 24.19799 1.000 19.71821 C ? B ? . CBD 1
   HETATM 2548 CGA . HEC A 128 ? 8.84983 32.24710 18.28796 1.000 22.41939 C ? B ? . CGA 1
   HETATM 2549 CGD . HEC A 128 ? 8.66334 31.81640 24.40352 1.000 17.73879 C ? B ? . CGD 1
   HETATM 2550 CHA . HEC A 128 ? 8.42109 35.88619 21.56838 1.000 16.94937 C ? B ? . CHA 1
   HETATM 2551 CHB . HEC A 128 ? 6.92699 39.11725 18.28909 1.000 15.03439 C ? B ? . CHB 1
   HETATM 2552 CHC . HEC A 128 ? 4.57323 41.58276 21.80807 1.000 16.89645 C ? B ? . CHC 1
   HETATM 2553 CHD . HEC A 128 ? 6.44292 38.49989 25.09813 1.000 15.85735 C ? B ? . CHD 1
   HETATM 2554 CMA . HEC A 128 ? 8.24799 36.77729 16.66497 1.000 17.25717 C ? B ? . CMA 1
   HETATM 2555 CMB . HEC A 128 ? 5.73747 41.66289 16.86854 1.000 21.68390 C ? B ? . CMB 1
   HETATM 2556 CMC . HEC A 128 ? 3.52763 42.60428 24.56133 1.000 18.73032 C ? B ? . CMC 1
   HETATM 2557 CMD . HEC A 128 ? 7.84703 36.18858 26.64499 1.000 15.61970 C ? B ? . CMD 1
   HETATM 2558 NA . HEC A 128 ? 7.47549 37.72453 20.24471 1.000 17.29750 N ? B ? . NA 1
   HETATM 2559 NC . HEC A 128 ? 5.66906 39.80014 23.13545 1.000 17.06967 N ? B ? . NC 1
   HETATM 2560 O1A . HEC A 128 ? 9.46222 31.53438 19.12965 1.000 18.73433 O ? B ? . O1A 1
   HETATM 2561 O1D . HEC A 128 ? 8.10647 31.02949 25.21912 1.000 18.06777 O ? B ? . O1D 1
   HETATM 2562 O2A . HEC A 128 ? 8.79957 31.84578 17.08795 1.000 24.32157 O ? B ? . O2A 1
   HETATM 2563 O2D . HEC A 128 ? 9.65074 31.55640 23.75388 1.000 17.94422 O ? B ? . O2D 1
   HETATM 2564 FE . HEC A 128 ? 6.80549 38.90820 21.70714 1.000 17.54690 Fe ? B ? . FE 1
   HETATM 2565 O . HOH A 2001 ? -4.67189 28.59485 27.73774 0.892 18.55666 O ? C ? . O 1
   HETATM 2566 O . HOH A 2002 ? -2.95478 26.53995 30.26711 0.725 18.72647 O ? C ? . O 1
   HETATM 2567 O . HOH A 2003 ? -4.29723 18.67707 24.77137 0.932 26.95686 O ? C ? . O 1
   HETATM 2568 O . HOH A 2004 ? -6.05121 20.44771 23.47848 0.893 37.93867 O ? C ? . O 1
   HETATM 2569 O . HOH A 2006 ? -1.73624 21.46511 22.12125 0.833 25.32442 O ? C ? . O 1
   HETATM 2570 O . HOH A 2007 ? -4.00556 27.84890 32.48421 0.799 22.31909 O ? C ? . O 1
   HETATM 2571 O . HOH A 2008 ? -0.68003 25.36552 31.06316 0.954 25.11432 O ? C ? . O 1
   HETATM 2572 O . HOH A 2009 ? -4.17652 16.44656 28.78003 1.000 32.22990 O ? C ? . O 1
   HETATM 2573 O . HOH A 2010 ? 4.62723 17.42478 31.76308 0.902 27.05798 O ? C ? . O 1
   HETATM 2574 O . HOH A 2011 ? -1.72701 19.58582 24.20267 0.821 19.37469 O ? C ? . O 1
   HETATM 2575 O . HOH A 2012 ? -1.59756 15.74667 30.19254 0.916 33.03854 O ? C ? . O 1
   HETATM 2576 O A HOH A 2014 ? 8.02202 19.50673 32.55528 0.513 19.68738 O ? C ? . O 1
   HETATM 2577 O B HOH A 2014 ? 9.57764 19.98955 31.72522 0.487 17.27345 O ? C ? . O 1
   HETATM 2578 O . HOH A 2016 ? 1.12398 14.47104 25.94186 0.672 31.34992 O ? C ? . O 1
   HETATM 2579 O . HOH A 2017 ? 4.89363 14.95378 31.85492 0.771 35.23278 O ? C ? . O 1
   HETATM 2580 O . HOH A 2018 ? -0.08249 20.87572 16.77883 0.918 27.41816 O ? C ? . O 1
   HETATM 2582 O . HOH A 2020 ? -7.37456 32.05648 24.95895 0.820 22.78010 O ? C ? . O 1
   HETATM 2584 O . HOH A 2022 ? -1.55798 18.62588 16.45120 0.712 31.30640 O ? C ? . O 1
   HETATM 2585 O . HOH A 2025 ? -15.19983 47.91380 2.86753 0.775 30.95695 O ? C ? . O 1
   HETATM 2586 O A HOH A 2026 ? 7.36958 23.18144 22.13443 0.484 24.08512 O ? C ? . O 1
   HETATM 2587 O B HOH A 2026 ? 7.78415 23.49853 23.15381 0.516 21.21421 O ? C ? . O 1
   HETATM 2588 O . HOH A 2028 ? 6.98410 18.37016 30.52523 0.773 23.05141 O ? C ? . O 1
   HETATM 2589 O . HOH A 2029 ? 11.07521 19.14525 25.77954 0.813 22.95900 O ? C ? . O 1
   HETATM 2590 O . HOH A 2030 ? 10.01678 21.49548 29.46348 0.629 19.36535 O ? C ? . O 1
   HETATM 2591 O . HOH A 2031 ? 7.03019 38.33635 10.50352 1.000 31.99670 O ? C ? . O 1
   HETATM 2592 O . HOH A 2033 ? 0.10686 23.48462 21.28190 0.764 29.10979 O ? C ? . O 1
   HETATM 2593 O . HOH A 2034 ? 2.08166 16.63083 24.65244 1.000 32.07907 O ? C ? . O 1
   HETATM 2594 O . HOH A 2037 ? 8.94138 40.36812 15.27563 0.788 39.34918 O ? C ? . O 1
   HETATM 2595 O A HOH A 2039 ? 9.49426 48.51233 5.05691 0.649 33.08885 O ? C ? . O 1
   HETATM 2596 O B HOH A 2039 ? 9.38039 46.42650 5.61620 0.351 25.10832 O ? C ? . O 1
   HETATM 2597 O . HOH A 2041 ? 3.08988 45.89072 2.08071 0.937 18.31404 O ? C ? . O 1
   HETATM 2598 O . HOH A 2042 ? 0.27977 45.97133 1.85124 0.774 14.63640 O ? C ? . O 1
   HETATM 2599 O . HOH A 2046 ? 8.03885 48.28298 13.99294 0.889 38.14720 O ? C ? . O 1
   HETATM 2601 O . HOH A 2050 ? -4.94254 31.58653 23.91708 1.000 17.40169 O ? C ? . O 1
   HETATM 2602 O . HOH A 2052 ? 5.01984 46.13734 -0.00151 0.413 15.88244 O ? C ? . O 1
   HETATM 2603 O A HOH A 2054 ? -8.06555 56.23967 2.31488 0.601 29.61999 O ? C ? . O 1
   HETATM 2605 O . HOH A 2056 ? -6.99130 56.53339 -1.22057 0.736 29.73935 O ? C ? . O 1
   HETATM 2607 O . HOH A 2059 ? -12.93671 51.76571 3.23829 0.708 27.82935 O ? C ? . O 1
   HETATM 2608 O . HOH A 2061 ? 7.83554 27.35478 17.80867 0.730 32.07415 O ? C ? . O 1
   HETATM 2609 O . HOH A 2062 ? 12.00802 27.25907 22.08919 1.000 30.40470 O ? C ? . O 1
   HETATM 2610 O . HOH A 2063 ? -13.96486 47.92605 5.29304 0.839 24.79351 O ? C ? . O 1
   HETATM 2611 O . HOH A 2064 ? -12.45870 44.01454 3.74287 1.000 33.07747 O ? C ? . O 1
   HETATM 2613 O . HOH A 2066 ? -9.47408 39.18808 6.93984 0.998 28.19950 O ? C ? . O 1
   HETATM 2615 O . HOH A 2073 ? 6.36968 36.09839 11.95359 1.000 26.05080 O ? C ? . O 1
   HETATM 2616 O . HOH A 2074 ? 9.04634 33.62506 14.96096 0.786 23.13443 O ? C ? . O 1
   HETATM 2617 O . HOH A 2075 ? -10.09898 39.22743 20.69287 0.991 41.40564 O ? C ? . O 1
   HETATM 2620 O . HOH A 2078 ? -10.91249 47.43440 19.67099 0.979 29.83831 O ? C ? . O 1
   HETATM 2621 O . HOH A 2079 ? -9.48132 35.25666 22.87911 1.000 27.98853 O ? C ? . O 1
   HETATM 2622 O . HOH A 2080 ? -5.26404 35.81528 28.95675 0.770 24.34016 O ? C ? . O 1
   HETATM 2623 O . HOH A 2081 ? -3.70506 36.82423 33.36802 0.848 33.71185 O ? C ? . O 1
   HETATM 2625 O . HOH A 2083 ? 6.82135 42.24481 13.28585 0.886 27.23700 O ? C ? . O 1
   HETATM 2626 O . HOH A 2084 ? 4.95342 38.54365 7.39932 0.951 22.65003 O ? C ? . O 1
   HETATM 2627 O A HOH A 2085 ? 16.63438 30.22455 25.78578 0.497 27.98915 O ? C ? . O 1
   HETATM 2628 O B HOH A 2085 ? 18.28394 30.82602 26.88711 0.503 31.52336 O ? C ? . O 1
   HETATM 2629 O . HOH A 2086 ? 18.23876 27.52947 24.57233 0.858 48.83457 O ? C ? . O 1
   HETATM 2630 O . HOH A 2087 ? 12.81797 32.85228 17.81174 0.963 39.84354 O ? C ? . O 1
   HETATM 2631 O . HOH A 2088 ? 7.69720 44.53682 6.48563 0.600 24.17104 O ? C ? . O 1
   HETATM 2632 O . HOH A 2089 ? 8.28716 45.07692 10.07872 0.861 31.89165 O ? C ? . O 1
   HETATM 2633 O . HOH A 2090 ? 16.42822 34.60905 32.25638 0.658 27.16912 O ? C ? . O 1
   HETATM 2634 O . HOH A 2091 ? 17.37499 34.01525 35.90885 0.759 29.58144 O ? C ? . O 1
   HETATM 2635 O . HOH A 2093 ? 13.98240 36.11980 39.51990 1.000 27.48421 O ? C ? . O 1
   HETATM 2636 O . HOH A 2094 ? 3.63651 43.60806 3.48576 0.995 19.54298 O ? C ? . O 1
   HETATM 2637 O . HOH A 2095 ? 0.03764 45.13596 4.55865 0.890 18.34014 O ? C ? . O 1
   HETATM 2639 O . HOH A 2097 ? -3.56482 38.27275 3.46334 0.759 25.00281 O ? C ? . O 1
   HETATM 2640 O . HOH A 2098 ? -2.91126 41.20057 5.09713 1.000 22.31402 O ? C ? . O 1
   HETATM 2641 O . HOH A 2099 ? 6.43822 40.69903 9.03528 0.709 29.58692 O ? C ? . O 1
   HETATM 2642 O A HOH A 2101 ? 2.87748 33.13276 39.12391 0.622 24.93970 O ? C ? . O 1
   HETATM 2645 O . HOH A 2104 ? -0.51364 46.02080 39.09143 0.692 34.27555 O ? C ? . O 1
   HETATM 2646 O . HOH A 2105 ? 8.27076 48.22585 11.43823 0.956 39.31007 O ? C ? . O 1
   HETATM 2648 O . HOH A 2108 ? 0.62913 53.87840 2.51754 1.000 20.85375 O ? C ? . O 1
   HETATM 2649 O . HOH A 2109 ? 2.23753 56.91393 4.88167 0.674 22.44369 O ? C ? . O 1
   HETATM 2650 O . HOH A 2110 ? -8.88009 44.46957 23.36806 0.994 32.12347 O ? C ? . O 1
   HETATM 2651 O . HOH A 2111 ? 7.00562 56.57129 1.25059 0.746 27.55529 O ? C ? . O 1
   HETATM 2654 O . HOH A 2115 ? 6.68806 48.22499 -0.52375 0.949 23.46800 O ? C ? . O 1
   HETATM 2655 O . HOH A 2116 ? 6.40342 48.96637 -4.16023 0.943 37.49996 O ? C ? . O 1
   HETATM 2656 O . HOH A 2117 ? 7.99992 51.55520 -2.60388 0.981 23.71242 O ? C ? . O 1
   HETATM 2657 O . HOH A 2118 ? 8.72996 47.94314 1.42246 0.746 25.90544 O ? C ? . O 1
   HETATM 2659 O . HOH A 2120 ? -13.58234 53.06645 17.07301 0.784 27.40880 O ? C ? . O 1
   HETATM 2660 O . HOH A 2121 ? -12.89461 50.35640 5.63148 0.971 26.69422 O ? C ? . O 1
   HETATM 2661 O . HOH A 2122 ? -0.72377 47.90948 0.18121 0.862 18.33638 O ? C ? . O 1
   HETATM 2662 O . HOH A 2123 ? -2.98484 49.10455 2.63180 1.000 18.19281 O ? C ? . O 1
   HETATM 2663 O . HOH A 2125 ? -2.36186 54.79347 -1.09606 0.905 22.14815 O ? C ? . O 1
   HETATM 2664 O . HOH A 2126 ? -8.19296 53.54285 1.10631 0.970 29.95920 O ? C ? . O 1
   HETATM 2665 O . HOH A 2127 ? -5.41037 52.72216 -1.87156 0.972 30.30847 O ? C ? . O 1
   HETATM 2666 O . HOH A 2128 ? -4.60598 55.96399 0.23742 0.775 26.04256 O ? C ? . O 1
   HETATM 2667 O . HOH A 2129 ? -7.67859 51.26551 7.74170 0.945 17.30230 O ? C ? . O 1
   HETATM 2668 O . HOH A 2131 ? 3.50414 59.22054 13.62710 0.969 20.86905 O ? C ? . O 1
   HETATM 2669 O . HOH A 2133 ? -10.53550 50.76483 1.19337 1.000 25.90422 O ? C ? . O 1
   HETATM 2670 O . HOH A 2135 ? 6.81544 52.67369 13.45625 0.999 27.61517 O ? C ? . O 1
   HETATM 2671 O . HOH A 2136 ? 6.09933 56.44253 15.36167 0.838 25.79715 O ? C ? . O 1
   HETATM 2672 O . HOH A 2137 ? -12.25930 45.70104 5.79994 0.865 19.86386 O ? C ? . O 1
   HETATM 2673 O . HOH A 2139 ? -6.43129 42.52421 4.78711 0.915 20.54805 O ? C ? . O 1
   HETATM 2674 O . HOH A 2140 ? -4.41577 41.86089 3.00939 0.924 32.50400 O ? C ? . O 1
   HETATM 2675 O . HOH A 2141 ? 10.72878 51.65827 21.93999 0.635 33.59423 O ? C ? . O 1
   HETATM 2676 O . HOH A 2142 ? 7.95715 51.77935 26.19625 1.000 29.28327 O ? C ? . O 1
   HETATM 2677 O . HOH A 2143 ? -9.46975 47.11490 12.50233 0.972 18.73095 O ? C ? . O 1
   HETATM 2678 O . HOH A 2144 ? -16.04015 47.46033 7.08317 0.827 29.96384 O ? C ? . O 1
   HETATM 2679 O . HOH A 2145 ? -14.75879 51.43271 9.20178 0.607 33.35417 O ? C ? . O 1
   HETATM 2680 O A HOH A 2146 ? -6.76528 40.48295 6.69624 0.567 20.85404 O ? C ? . O 1
   HETATM 2681 O B HOH A 2146 ? -5.21614 40.41280 6.65429 0.433 21.06772 O ? C ? . O 1
   HETATM 2682 O . HOH A 2147 ? -10.44700 40.47236 9.23053 1.000 24.53142 O ? C ? . O 1
   HETATM 2683 O . HOH A 2149 ? -2.25346 44.13173 5.74986 0.988 21.22079 O ? C ? . O 1
   HETATM 2684 O . HOH A 2150 ? 18.18026 34.95964 30.29107 1.000 42.74971 O ? C ? . O 1
   HETATM 2685 O . HOH A 2151 ? -9.63769 45.72338 14.90269 1.000 20.46018 O ? C ? . O 1
   HETATM 2686 O . HOH A 2152 ? -10.70206 38.21246 13.64231 0.826 30.97421 O ? C ? . O 1
   HETATM 2687 O . HOH A 2154 ? -13.10901 44.32886 8.03242 0.925 25.62133 O ? C ? . O 1
   HETATM 2688 O . HOH A 2155 ? -13.21449 46.37145 12.92417 0.871 35.09031 O ? C ? . O 1
   HETATM 2689 O . HOH A 2156 ? -9.06063 41.30479 21.47920 0.665 28.61725 O ? C ? . O 1
   HETATM 2690 O . HOH A 2157 ? -6.01197 42.24168 21.52378 0.965 22.39021 O ? C ? . O 1
   HETATM 2691 O . HOH A 2159 ? -12.75755 46.54723 18.04758 0.574 28.26507 O ? C ? . O 1
   HETATM 2693 O . HOH A 2162 ? -8.86772 36.46087 20.44757 0.944 20.54168 O ? C ? . O 1
   HETATM 2694 O . HOH A 2163 ? -11.40377 40.11505 18.36460 1.000 40.01901 O ? C ? . O 1
   HETATM 2695 O . HOH A 2164 ? -4.56876 34.83786 26.37256 0.846 22.31872 O ? C ? . O 1
   HETATM 2696 O . HOH A 2165 ? -6.23038 38.64310 26.84422 1.000 37.33991 O ? C ? . O 1
   HETATM 2698 O . HOH A 2167 ? -3.50746 35.01053 31.09040 0.919 31.58234 O ? C ? . O 1
   HETATM 2699 O . HOH A 2169 ? -0.19807 35.73156 30.93061 0.790 23.98007 O ? C ? . O 1
   HETATM 2700 O . HOH A 2170 ? -0.64144 27.99877 29.80032 0.939 18.50748 O ? C ? . O 1
   HETATM 2701 O . HOH A 2171 ? -3.67398 30.28901 31.52854 0.923 21.88801 O ? C ? . O 1
   HETATM 2703 O . HOH A 2173 ? 1.04773 34.28520 33.03499 0.990 23.73289 O ? C ? . O 1
   HETATM 2706 O . HOH A 2177 ? 5.64771 29.51577 36.57340 0.663 18.05012 O ? C ? . O 1
   HETATM 2707 O . HOH A 2178 ? 7.85985 24.26346 32.72502 0.955 23.64293 O ? C ? . O 1
   HETATM 2708 O . HOH A 2179 ? 8.82044 23.77837 28.56367 0.843 18.95336 O ? C ? . O 1
   HETATM 2709 O . HOH A 2180 ? 9.94170 30.89760 36.63531 0.674 17.78234 O ? C ? . O 1
   HETATM 2710 O . HOH A 2181 ? 10.91389 30.04311 31.30064 0.947 21.68260 O ? C ? . O 1
   HETATM 2712 O B HOH A 2182 ? 13.19113 29.92992 28.93975 0.714 22.28324 O ? C ? . O 1
   HETATM 2714 O . HOH A 2185 ? 14.78289 26.97289 26.84746 0.787 25.88394 O ? C ? . O 1
   HETATM 2716 O . HOH A 2188 ? 12.62215 33.70339 20.67471 0.870 27.91291 O ? C ? . O 1
   HETATM 2717 O . HOH A 2190 ? 15.90461 36.36908 33.65370 0.835 35.88500 O ? C ? . O 1
   HETATM 2718 O . HOH A 2191 ? 18.20486 42.16338 31.75831 1.000 50.74188 O ? C ? . O 1
   HETATM 2719 O . HOH A 2192 ? 17.30732 42.35618 34.09123 0.988 45.05863 O ? C ? . O 1
   HETATM 2720 O . HOH A 2193 ? 12.53932 41.75005 34.07482 0.926 34.35937 O ? C ? . O 1
   HETATM 2721 O . HOH A 2194 ? 15.05282 40.75558 25.01179 0.607 30.38927 O ? C ? . O 1
   HETATM 2722 O . HOH A 2195 ? 10.11403 33.06507 38.33365 0.539 17.73214 O ? C ? . O 1
   HETATM 2723 O . HOH A 2196 ? 11.75502 35.00349 38.59872 0.868 26.44059 O ? C ? . O 1
   HETATM 2724 O . HOH A 2198 ? 16.07623 36.13115 37.30950 0.662 26.34570 O ? C ? . O 1
   HETATM 2725 O . HOH A 2199 ? 2.34388 35.62500 35.01456 0.834 21.70681 O ? C ? . O 1
   HETATM 2726 O . HOH A 2203 ? 13.05513 38.29085 40.65706 0.697 27.82829 O ? C ? . O 1
   HETATM 2729 O . HOH A 2208 ? -1.68545 39.56695 38.53297 0.802 36.54788 O ? C ? . O 1
   HETATM 2730 O . HOH A 2209 ? 0.56704 37.69942 34.63362 0.941 24.08521 O ? C ? . O 1
   HETATM 2731 O . HOH A 2210 ? -1.92158 43.60368 36.67090 0.727 31.72130 O ? C ? . O 1
   HETATM 2732 O . HOH A 2212 ? 3.44478 46.98551 36.87623 0.692 25.03848 O ? C ? . O 1
   HETATM 2733 O . HOH A 2214 ? -5.43982 37.33905 37.20145 0.798 30.61212 O ? C ? . O 1
   HETATM 2735 O . HOH A 2216 ? -2.09406 47.54563 31.76422 0.774 19.27475 O ? C ? . O 1
   HETATM 2736 O . HOH A 2218 ? -4.92357 47.75580 36.70212 1.000 36.68364 O ? C ? . O 1
   HETATM 2737 O . HOH A 2219 ? -3.88743 44.25492 34.61289 0.873 30.19956 O ? C ? . O 1
   HETATM 2738 O . HOH A 2220 ? -0.32182 48.67891 38.22254 0.682 23.36941 O ? C ? . O 1
   HETATM 2740 O . HOH A 2222 ? 4.44282 45.77197 26.91414 0.932 25.62510 O ? C ? . O 1
   HETATM 2741 O . HOH A 2223 ? 10.33871 46.92927 29.83987 0.992 31.37560 O ? C ? . O 1
   HETATM 2742 O . HOH A 2225 ? -5.78362 38.44663 29.51298 0.890 38.30719 O ? C ? . O 1
   HETATM 2743 O . HOH A 2226 ? -1.07595 37.96643 32.10490 1.000 23.88744 O ? C ? . O 1
   HETATM 2744 O . HOH A 2227 ? -6.20337 45.48569 27.66627 0.793 24.86138 O ? C ? . O 1
   HETATM 2745 O . HOH A 2228 ? -4.00660 48.35224 30.10909 0.725 25.31192 O ? C ? . O 1
   HETATM 2746 O . HOH A 2229 ? -7.95218 41.46171 28.00424 0.975 34.00529 O ? C ? . O 1
   HETATM 2747 O . HOH A 2230 ? -6.61976 46.24378 32.06143 0.972 25.61478 O ? C ? . O 1
   HETATM 2748 O . HOH A 2231 ? -6.85449 44.72454 21.55253 0.872 19.79682 O ? C ? . O 1
   HETATM 2749 O . HOH A 2232 ? -8.39039 41.16044 24.86600 1.000 35.64325 O ? C ? . O 1
   HETATM 2750 O . HOH A 2233 ? -9.53316 47.70179 26.46384 0.964 30.04050 O ? C ? . O 1
   HETATM 2751 O . HOH A 2236 ? -0.80906 53.48863 21.91285 0.924 27.69713 O ? C ? . O 1
   HETATM 2752 O . HOH A 2237 ? 3.45537 52.22605 23.99891 1.000 28.89777 O ? C ? . O 1
   HETATM 2753 O . HOH A 2238 ? -8.34936 46.17757 19.28546 0.624 16.87571 O ? C ? . O 1
   HETATM 2754 O . HOH A 2239 ? -10.73637 50.13672 18.85175 0.802 21.95016 O ? C ? . O 1
   HETATM 2755 O . HOH A 2240 ? -6.45504 55.68284 17.15203 0.737 20.96220 O ? C ? . O 1
   HETATM 2756 O . HOH A 2241 ? -1.46706 58.89529 20.14044 0.731 34.56375 O ? C ? . O 1
   HETATM 2757 O . HOH A 2242 ? -12.40849 54.54213 14.96818 0.837 23.65907 O ? C ? . O 1
   HETATM 2758 O . HOH A 2243 ? -11.48408 52.00117 7.40126 0.987 22.72246 O ? C ? . O 1
   HETATM 2759 O . HOH A 2245 ? -15.37978 49.82567 14.62288 0.646 38.86271 O ? C ? . O 1
   HETATM 2760 O . HOH A 2246 ? -12.15635 46.92273 15.71405 0.748 27.82320 O ? C ? . O 1
   HETATM 2761 O . HOH A 2247 ? -12.45331 50.62100 16.81435 0.936 21.73796 O ? C ? . O 1
   HETATM 2762 O . HOH A 2248 ? -12.72447 54.33050 6.68152 0.625 29.48588 O ? C ? . O 1
   HETATM 2763 O . HOH A 2250 ? -10.40996 58.97645 8.53772 0.652 29.85128 O ? C ? . O 1
   HETATM 2764 O . HOH A 2251 ? -9.59215 56.64105 4.70915 0.667 24.24979 O ? C ? . O 1
   HETATM 2765 O . HOH A 2252 ? -6.13564 58.99806 6.22496 0.825 24.19226 O ? C ? . O 1
   HETATM 2766 O . HOH A 2253 ? -5.55227 62.26664 9.74131 0.826 34.20551 O ? C ? . O 1
   HETATM 2767 O . HOH A 2256 ? 0.99250 60.22605 12.86841 0.875 21.08126 O ? C ? . O 1
   HETATM 2768 O . HOH A 2257 ? 0.98434 61.29194 10.26001 0.708 25.71047 O ? C ? . O 1
   HETATM 2770 O . HOH A 2259 ? -1.71887 64.39828 6.80848 0.883 30.37103 O ? C ? . O 1
   HETATM 2772 O . HOH A 2261 ? -3.19835 56.91090 16.98626 0.828 28.50701 O ? C ? . O 1
   HETATM 2774 O . HOH A 2265 ? 5.15014 54.93437 13.25406 0.616 23.03498 O ? C ? . O 1
   HETATM 2775 O . HOH A 2267 ? 4.07878 56.80371 17.40332 1.000 25.82595 O ? C ? . O 1
   HETATM 2776 O . HOH A 2268 ? 6.78605 50.19319 15.26715 0.843 28.25737 O ? C ? . O 1
   HETATM 2777 O . HOH A 2270 ? 8.05547 51.73249 17.57310 0.956 32.34538 O ? C ? . O 1
   HETATM 2778 O . HOH A 2271 ? 5.96929 55.56426 19.30148 0.973 41.90090 O ? C ? . O 1
   HETATM 2779 O . HOH A 2272 ? 4.97490 54.36963 23.05066 0.857 29.27117 O ? C ? . O 1
   HETATM 2781 O . HOH A 2275 ? 5.52813 50.84195 25.46443 0.930 22.10697 O ? C ? . O 1
   HETATM 2782 O . HOH A 2276 ? 9.91148 50.20904 23.94343 0.934 27.73383 O ? C ? . O 1
   HETATM 2783 O . HOH A 2277 ? 3.39941 49.53393 26.62233 0.678 23.79587 O ? C ? . O 1
   HETATM 2785 O . HOH A 2282 ? 11.87744 49.21434 25.74749 0.812 37.87796 O ? C ? . O 1
   HETATM 2787 O . HOH A 2284 ? 10.83053 39.39359 17.67618 0.845 28.14178 O ? C ? . O 1
   HETATM 2791 O . HOH A 2289 ? 17.41239 40.01502 21.42316 1.000 52.53033 O ? C ? . O 1
   HETATM 2792 O . HOH A 2291 ? 11.56758 29.95566 18.56734 0.831 32.49135 O ? C ? . O 1
   HETATM 2793 O . HOH A 2292 ? 10.30095 32.78842 21.41948 0.810 16.83075 O ? C ? . O 1
   HETATM 2794 O . HOH A 2293 ? 8.27437 29.52388 16.10507 0.825 33.38329 O ? C ? . O 1
   HETATM 5058 O . HOH S 2294 ? -9.70414 46.12971 0.00000 0.909 20.23597 O ? D ? . O 1
   HETATM 5059 O . HOH S 2295 ? 1.07402 49.68790 34.31512 0.553 18.89707 O ? D ? . O 1
   HETATM 5060 O . HOH S 2296 ? 18.52324 36.52718 28.71998 1.000 46.59752 O ? D ? . O 1
   HETATM 5061 O . HOH S 2297 ? 9.69475 23.07983 23.63816 0.513 22.53339 O ? D ? . O 1
   HETATM 5062 O . HOH S 2298 ? -3.04368 42.07024 38.45832 0.863 37.12046 O ? D ? . O 1
   HETATM 5063 O . HOH S 2299 ? -1.35148 52.10584 19.57761 0.415 20.32122 O ? D ? . O 1
   HETATM 5064 O . HOH S 2300 ? -0.56532 62.66987 5.71074 0.905 41.59072 O ? D ? . O 1
   HETATM 5065 O . HOH S 2301 ? 12.14914 37.25558 16.88895 0.994 37.83181 O ? D ? . O 1
   HETATM 5066 O . HOH S 2302 ? -5.55183 38.14081 7.01603 0.664 25.91556 O ? D ? . O 1
   HETATM 5067 O . HOH S 2303 ? 8.14037 53.91754 18.77830 0.847 36.91534 O ? D ? . O 1
   HETATM 5068 O . HOH S 2304 ? -7.80757 41.66026 2.93398 0.987 42.54489 O ? D ? . O 1
   HETATM 5069 O . HOH S 2305 ? -1.01115 32.84533 34.29956 0.757 29.29440 O ? D ? . O 1
   HETATM 5071 O . HOH S 2307 ? 7.52373 52.08348 10.78463 0.756 31.87394 O ? D ? . O 1
   HETATM 5072 O . HOH S 2308 ? 2.09463 45.57620 38.54166 0.721 34.48188 O ? D ? . O 1
   HETATM 5075 O . HOH S 2311 ? 8.50039 25.20696 20.99474 0.376 20.94668 O ? D ? . O 1
   HETATM 5076 O . HOH S 2312 ? 4.61484 18.69172 22.58235 0.861 38.16404 O ? D ? . O 1
   HETATM 5077 O . HOH S 2313 ? 14.94523 38.68872 23.42601 0.531 28.53624 O ? D ? . O 1
   HETATM 5078 O . HOH S 2314 ? -0.09863 61.56322 15.06092 0.471 24.57991 O ? D ? . O 1
   HETATM 5080 O . HOH S 2316 ? 14.50663 35.32916 22.34949 0.576 33.45949 O ? D ? . O 1
   HETATM 5081 O . HOH S 2317 ? -12.60789 41.52009 8.09956 0.671 34.33241 O ? D ? . O 1
   HETATM 5082 O . HOH S 2318 ? -15.20281 51.99580 6.57883 0.994 46.41836 O ? D ? . O 1
   HETATM 5083 O . HOH S 2319 ? -3.01370 37.88601 37.72874 0.786 37.67554 O ? D ? . O 1
   HETATM 5084 O . HOH S 2320 ? -11.08383 38.74020 11.08763 0.858 34.80824 O ? D ? . O 1
   HETATM 5085 O . HOH S 2321 ? 18.83478 33.14861 37.83849 0.880 36.72241 O ? D ? . O 1
   HETATM 5087 O . HOH S 2323 ? 8.74923 45.26550 2.22388 0.467 24.71046 O ? D ? . O 1
   HETATM 5089 O . HOH S 2325 ? 11.72049 34.45691 15.96995 0.705 33.98165 O ? D ? . O 1
   HETATM 5090 O . HOH S 2326 ? -4.52046 63.93639 11.19874 0.967 49.52911 O ? D ? . O 1
   HETATM 5091 O . HOH S 2327 ? -2.54796 60.51573 15.62799 0.720 35.34436 O ? D ? . O 1
   HETATM 5092 O . HOH S 2328 ? -0.81436 17.22331 23.11072 0.952 39.52769 O ? D ? . O 1
   HETATM 5094 O . HOH S 2330 ? -1.88234 37.02179 35.84579 0.880 35.81338 O ? D ? . O 1
   HETATM 5095 O . HOH S 2331 ? -5.29479 57.85609 18.15995 0.474 26.80493 O ? D ? . O 1
   HETATM 5098 O . HOH S 2334 ? 14.71169 42.96370 24.10267 0.683 32.73651 O ? D ? . O 1
   HETATM 5099 O . HOH S 2335 ? -1.50657 13.78346 31.86535 0.903 45.82576 O ? D ? . O 1
   HETATM 5101 O . HOH S 2337 ? 8.29111 42.46304 9.09064 0.976 44.70648 O ? D ? . O 1
   HETATM 5102 O . HOH S 2338 ? 1.61359 20.69531 20.84392 0.735 29.73319 O ? D ? . O 1
   HETATM 5104 O . HOH S 2340 ? 15.28060 40.46050 28.28689 0.564 30.77186 O ? D ? . O 1
   HETATM 5107 O . HOH S 2343 ? 4.08299 11.09067 27.46699 0.661 39.86660 O ? D ? . O 1
   HETATM 5108 O . HOH S 2344 ? 9.90741 50.26209 18.79277 0.805 34.99537 O ? D ? . O 1
   HETATM 5109 O . HOH S 2345 ? -9.94702 40.09319 4.49535 0.405 26.26592 O ? D ? . O 1
   HETATM 5111 O . HOH S 2347 ? -12.74423 41.41572 4.89927 0.932 46.01980 O ? D ? . O 1
   HETATM 5112 O . HOH S 2348 ? 17.69307 32.09918 24.64422 0.818 43.59141 O ? D ? . O 1
   HETATM 5115 O . HOH S 2351 ? -6.34125 37.85144 33.77118 0.534 31.66045 O ? D ? . O 1
   HETATM 5117 O . HOH S 2353 ? 18.38485 30.87496 30.75804 0.764 35.96710 O ? D ? . O 1
   HETATM 5118 O . HOH S 2354 ? 10.79340 42.12804 35.72627 0.856 40.80453 O ? D ? . O 1
   HETATM 5124 O . HOH S 2360 ? -6.87952 38.99445 31.49883 0.555 36.85681 O ? D ? . O 1
   HETATM 5125 O . HOH S 2361 ? 8.17411 44.31655 12.56430 0.840 41.35971 O ? D ? . O 1
   HETATM 5127 O . HOH S 2363 ? 12.60390 27.81073 19.50779 0.859 40.23485 O ? D ? . O 1
   HETATM 5174 O . HOH S 2364 ? -5.11699 29.01091 25.00870 1.000 19.91785 O ? E ? . O 1
   HETATM 5176 O . HOH S 2366 ? -14.51256 54.72581 13.12266 0.613 31.24438 O ? E ? . O 1
   HETATM 5177 O . HOH S 2367 ? -9.31618 56.74777 16.61304 0.627 30.72365 O ? E ? . O 1
   HETATM 5178 O . HOH S 2368 ? -5.85477 58.21448 3.47489 0.456 20.37440 O ? E ? . O 1
   HETATM 5187 O . HOH S 2377 ? -17.22759 47.21832 11.24391 1.000 49.13951 O ? E ? . O 1
   HETATM 5204 O . HOH S 2394 ? 1.07891 22.32638 19.36252 0.283 18.76021 O ? E ? . O 1
   HETATM 5206 O . HOH S 2396 ? -14.91954 50.55552 2.08717 0.433 40.58109 O ? E ? . O 1
   HETATM 5220 O . HOH S 2410 ? -2.10803 65.19988 11.49394 0.533 35.16772 O ? E ? . O 1
   HETATM 5222 O . HOH S 2412 ? -11.73883 56.86662 16.30623 0.619 42.86963 O ? E ? . O 1
   HETATM 5223 O . HOH S 2413 ? 9.89842 37.89628 41.41839 0.531 33.93765 O ? E ? . O 1
   HETATM 5224 O . HOH S 2414 ? 8.30420 54.21873 9.97367 0.602 30.06962 O ? E ? . O 1
   HETATM 5237 O . HOH S 2415 ? -0.52573 26.22421 33.70601 0.688 22.74383 O ? F ? . O 1
   HETATM 5239 O . HOH S 2417 ? -2.34301 34.37293 36.25620 0.420 27.23506 O ? F ? . O 1
   HETATM 5240 O . HOH S 2418 ? -7.74531 34.81994 24.96447 0.272 26.74818 O ? F ? . O 1
   HETATM 5245 O . HOH S 2423 ? 2.34897 24.15055 34.26035 0.421 25.48530 O ? F ? . O 1
   HETATM 5247 O . HOH S 2425 ? 7.83011 55.45215 17.00646 0.442 30.90593 O ? F ? . O 1
   HETATM 5254 O . HOH S 2432 ? -3.01468 59.22979 17.69812 0.356 30.39238 O ? F ? . O 1
   HETATM 5256 O . HOH S 2434 ? 8.18826 54.30118 26.53459 0.383 31.63169 O ? F ? . O 1
   HETATM 5259 O . HOH S 2437 ? 11.39296 48.85074 6.28108 0.482 41.96253 O ? F ? . O 1
   HETATM 5260 O . HOH S 2438 ? 9.10779 37.51140 9.48179 0.483 36.07697 O ? F ? . O 1
   HETATM 5264 O . HOH S 2442 ? 10.72338 46.23238 9.72672 0.544 43.72903 O ? F ? . O 1
   HETATM 5265 O . HOH S 2443 ? -7.58940 45.34576 25.65352 0.433 32.84495 O ? F ? . O 1
   HETATM 5268 O . HOH S 2446 ? -10.99197 41.08643 15.91281 0.359 27.02274 O ? F ? . O 1
   HETATM 5269 O . HOH S 2447 ? -12.98814 39.86177 14.02328 0.353 29.03812 O ? F ? . O 1
   HETATM 5273 O . HOH S 2451 ? -1.47498 32.36492 31.23745 0.258 27.68167 O ? F ? . O 1
   HETATM 5279 O . HOH S 2457 ? 8.87848 56.53036 4.88335 0.403 22.53027 O ? F ? . O 1
   HETATM 5280 O . HOH S 2458 ? -10.94720 41.88355 3.47166 0.394 32.80219 O ? F ? . O 1
   HETATM 5295 O . HOH S 2461 ? 8.41504 39.32215 40.65065 0.347 31.76747 O ? G ? . O 1
   HETATM 5296 O . HOH S 2462 ? 5.15657 26.58572 17.54614 0.324 17.26861 O ? G ? . O 1
   HETATM 5302 O . HOH S 2468 ? -9.16271 36.28912 25.25295 0.353 19.60824 O ? G ? . O 1
   HETATM 5303 O . HOH S 2469 ? -14.55635 49.03664 18.17127 0.466 39.84411 O ? G ? . O 1
   HETATM 5306 O . HOH S 2472 ? -8.08306 43.32130 26.39687 0.432 44.78613 O ? G ? . O 1
   HETATM 5314 O . HOH S 2480 ? -10.02042 59.96800 12.95619 0.351 22.61370 O ? G ? . O 1
   HETATM 5316 O . HOH S 2482 ? 10.61277 39.25716 39.79800 0.296 24.23009 O ? G ? . O 1
   HETATM 5317 O . HOH S 2483 ? -10.26857 48.09185 -1.98886 0.265 23.41057 O ? G ? . O 1
   HETATM 5322 O . HOH S 2488 ? 6.99242 57.56123 5.43994 0.336 25.89999 O ? G ? . O 1
   HETATM 5326 O . HOH S 2492 ? -15.67717 47.19330 13.20690 0.431 41.06298 O ? G ? . O 1
   HETATM 5328 O . HOH S 2494 ? 5.53912 57.31548 7.47612 0.437 44.41466 O ? G ? . O 1
   HETATM 5331 O . HOH S 2497 ? -9.86413 45.08562 26.87277 0.382 37.45069 O ? G ? . O 1
   HETATM 5337 O . HOH S 2503 ? 10.19544 56.36344 17.70266 0.371 46.78894 O ? G ? . O 1
   HETATM 5350 O . HOH S 2505 ? -4.10421 57.83921 1.71887 0.361 23.52383 O ? H ? . O 1
   HETATM 5351 O . HOH S 2506 ? 14.83991 40.14522 37.56629 0.349 26.79888 O ? H ? . O 1
   HETATM 5358 O . HOH S 2513 ? -12.20323 55.71559 4.81477 0.295 21.55016 O ? H ? . O 1
   HETATM 5363 O . HOH S 2518 ? -3.55718 32.75588 32.75758 0.233 17.92538 O ? H ? . O 1
   HETATM 5372 O . HOH S 2527 ? 18.25815 37.64086 34.39402 0.266 26.11922 O ? H ? . O 1
   HETATM 5374 O . HOH S 2529 ? 9.01705 50.80185 11.44017 0.348 30.26509 O ? H ? . O 1
   HETATM 5378 O . HOH S 2533 ? -8.21609 39.85648 1.60765 0.342 32.21111 O ? H ? . O 1
   HETATM 5381 O . HOH S 2536 ? 11.59036 31.31043 16.05148 0.332 33.45198 O ? H ? . O 1
   HETATM 5387 O . HOH S 2542 ? -14.12285 40.13114 12.11381 0.260 29.97154 O ? H ? . O 1

data_comp_PCA
loop_
  _chem_comp_atom.comp_id
  _chem_comp_atom.atom_id
  _chem_comp_atom.type_symbol
  _chem_comp_atom.type_energy
  _chem_comp_atom.charge
  _chem_comp_atom.partial_charge
  _chem_comp_atom.x
  _chem_comp_atom.y
  _chem_comp_atom.z
   PCA N N NH1 0 -0.599 38.6874 57.7792 68.0159
   PCA CA C CH1 0 -0.205 38.4569 58.9100 67.1424
   PCA CB C CH2 0 -0.462 37.3719 59.6735 67.9229
   PCA CG C CH2 0 -0.585 37.6997 59.3562 69.3782
   PCA CD C C 0 0.504 38.4098 58.0175 69.3102
   PCA OE O O 0 -0.496 38.6835 57.2922 70.2534
   PCA C C C 0 0.403 39.7108 59.7897 66.9084
   PCA O O O 0 -0.591 40.7127 59.5622 67.6083
   PCA OXT O OC -1 -0.610 39.5709 60.6688 66.0354
   PCA H H HNH1 0 0.381 39.3244 57.0403 67.7597
   PCA HA H HCH1 0 0.243 38.0756 58.5717 66.1760
   PCA HB2 H HCH2 0 0.245 37.3714 60.7375 67.6953
   PCA HB3 H HCH2 0 0.244 36.3857 59.2806 67.6690
   PCA HG2 H HCH2 0 0.265 38.3893 60.0857 69.8122
   PCA HG3 H HCH2 0 0.263 36.8289 59.3089 70.0317

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
  _chem_comp_bond.value_dist_neutron
   PCA N CA single 1.458 0.019 1.458
   PCA N CD single 1.345 0.020 1.345
   PCA N H single 0.860 0.020 0.860
   PCA CA CB single 1.530 0.020 1.530
   PCA CA C single 1.525 0.021 1.525
   PCA CA HA single 0.970 0.020 0.970
   PCA CB CG single 1.525 0.020 1.525
   PCA CB HB2 single 0.970 0.020 1.090
   PCA CB HB3 single 0.970 0.020 1.090
   PCA CG CD single 1.517 0.020 1.517
   PCA CG HG2 single 0.970 0.020 1.090
   PCA CG HG3 single 0.970 0.020 1.090
   PCA CD OE double 1.221 0.020 1.221
   PCA C O deloc 1.231 0.020 1.231
   PCA C OXT deloc 1.247 0.020 1.247

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
   PCA H N CD 120.30 3.000
   PCA H N CA 114.00 3.000
   PCA CD N CA 114.17 3.000
   PCA HA CA C 109.00 3.000
   PCA HA CA CB 109.00 3.000
   PCA C CA CB 110.10 1.900
   PCA HA CA N 110.00 3.000
   PCA C CA N 111.00 2.800
   PCA CB CA N 110.50 1.700
   PCA HB3 CB HB2 107.63 3.000
   PCA HB3 CB CG 109.95 3.000
   PCA HB2 CB CG 113.77 3.000
   PCA HB3 CB CA 109.90 3.000
   PCA HB2 CB CA 112.29 3.000
   PCA CG CB CA 103.25 3.000
   PCA HG3 CG HG2 107.15 3.000
   PCA HG3 CG CD 111.26 3.000
   PCA HG2 CG CD 108.14 3.000
   PCA HG3 CG CB 114.17 3.000
   PCA HG2 CG CB 112.05 3.000
   PCA CD CG CB 103.97 3.000
   PCA OE CD CG 126.48 3.000
   PCA OE CD N 126.29 3.000
   PCA CG CD N 107.23 3.000
   PCA OXT C O 127.86 3.000
   PCA OXT C CA 114.54 3.000
   PCA O C CA 120.80 1.700

loop_
  _chem_comp_tor.comp_id
  _chem_comp_tor.id
  _chem_comp_tor.atom_id_1
  _chem_comp_tor.atom_id_2
  _chem_comp_tor.atom_id_3
  _chem_comp_tor.atom_id_4
  _chem_comp_tor.value_angle
  _chem_comp_tor.value_angle_esd
  _chem_comp_tor.period
   PCA CONST_01 CG CD N CA 0.00 0.0 0
   PCA CONST_02 OE CD N CA 180.00 0.0 0
   PCA CONST_03 H N CD CG 180.00 0.0 0
   PCA Var_01 CB CG CD N 11.43 30.0 1
   PCA Var_02 CD CG CB CA -26.44 30.0 1
   PCA Var_03 HB2 CB CA N 154.14 30.0 1
   PCA Var_04 HB3 CB CA N -86.09 30.0 1
   PCA Var_05 HA CA CB CG 148.19 30.0 1

loop_
  _chem_comp_chir.comp_id
  _chem_comp_chir.id
  _chem_comp_chir.atom_id_centre
  _chem_comp_chir.atom_id_1
  _chem_comp_chir.atom_id_2
  _chem_comp_chir.atom_id_3
  _chem_comp_chir.volume_sign
   PCA chir_01 CA N CB C negativ

loop_
  _chem_comp_plane_atom.comp_id
  _chem_comp_plane_atom.plane_id
  _chem_comp_plane_atom.atom_id
  _chem_comp_plane_atom.dist_esd
   PCA plan-1 N 0.020
   PCA plan-1 CA 0.020
   PCA plan-1 CG 0.020
   PCA plan-1 CD 0.020
   PCA plan-1 OE 0.020
   PCA plan-1 H 0.020
   PCA plan-2 CA 0.020
   PCA plan-2 C 0.020
   PCA plan-2 O 0.020
   PCA plan-2 OXT 0.020

loop_
  _chem_comp_plane.comp_id
  _chem_comp_plane.id
   PCA plan-1
   PCA plan-2

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
  _chem_comp.desc_level
   PCA PCA '5-oxo-L-proline          ' L-peptide 15 9 .

data_comp_HEC
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
   HEC CHA C CR1H 0.030
   HEC HHA H HCR1 0.010
   HEC C1A C CR5 0.030
   HEC C2A C CR5 -0.020
   HEC CAA C CH2 -0.010
   HEC HAA1 H HCH2 0.025
   HEC HAA2 H HCH2 0.025
   HEC CBA C CH2 -0.020
   HEC HBA1 H HCH2 0.000
   HEC HBA2 H HCH2 0.000
   HEC CGA C C 0.300
   HEC O1A O OC -0.210
   HEC O2A O OC -0.210
   HEC C3A C CR5 0.020
   HEC CMA C CH3 -0.100
   HEC HMA1 H HCH3 0.020
   HEC HMA2 H HCH3 0.020
   HEC HMA3 H HCH3 0.020
   HEC C4A C CR5 0.020
   HEC NA N NPA -0.180
   HEC CHB C CR1H 0.030
   HEC HHB H HCR1 0.010
   HEC C1B C CR5 0.030
   HEC C2B C CR5 0.020
   HEC CMB C CH3 -0.100
   HEC HMB1 H HCH3 0.020
   HEC HMB2 H HCH3 0.020
   HEC HMB3 H HCH3 0.020
   HEC C3B C CR5 -0.050
   HEC CAB C CH2 0.020
   HEC HAB H HC1 0.010
   HEC CBB C CH3 -0.060
   HEC HBB1 H HCH3 0.010
   HEC HBB2 H HCH3 0.010
   HEC HBB3 H HCH3 0.010
   HEC C4B C CR5 0.020
   HEC NB N NPB -0.180
   HEC CHC C CR1H 0.030
   HEC HHC H HCR1 0.010
   HEC C1C C CR5 0.030
   HEC C2C C CR5 0.020
   HEC CMC C CH3 -0.100
   HEC HMC1 H HCH3 0.020
   HEC HMC2 H HCH3 0.020
   HEC HMC3 H HCH3 0.020
   HEC C3C C CR5 -0.050
   HEC CAC C CH2 0.020
   HEC HAC H HCH2 0.010
   HEC CBC C CH3 -0.060
   HEC HBC1 H HCH3 0.010
   HEC HBC2 H HCH3 0.010
   HEC HBC3 H HCH3 0.010
   HEC C4C C CR5 0.020
   HEC NC N NPA -0.180
   HEC CHD C CR1H 0.030
   HEC HHD H HCR1 0.010
   HEC C1D C CR5 0.030
   HEC C2D C CR5 0.020
   HEC CMD C CH3 -0.100
   HEC HMD1 H HCH3 0.020
   HEC HMD2 H HCH3 0.020
   HEC HMD3 H HCH3 0.020
   HEC C3D C CR5 -0.020
   HEC CAD C CH2 -0.010
   HEC HAD1 H HCH2 0.025
   HEC HAD2 H HCH2 0.025
   HEC CBD C CH2 -0.020
   HEC HBD1 H HCH2 0.000
   HEC HBD2 H HCH2 0.000
   HEC CGD C C 0.300
   HEC O1D O OC -0.210
   HEC O2D O OC -0.210
   HEC C4D C CR5 0.020
   HEC ND N NPB -0.180
   HEC FE FE FE 0.240

loop_
  _chem_comp_tree.comp_id
  _chem_comp_tree.atom_id
  _chem_comp_tree.atom_back
  _chem_comp_tree.atom_forward
  _chem_comp_tree.connect_type
   HEC CHA n/a C1A START
   HEC HHA CHA . .
   HEC C1A CHA C2A .
   HEC C2A C1A C3A .
   HEC CAA C2A CBA .
   HEC HAA1 CAA . .
   HEC HAA2 CAA . .
   HEC CBA CAA CGA .
   HEC HBA1 CBA . .
   HEC HBA2 CBA . .
   HEC CGA CBA O2A .
   HEC O1A CGA . .
   HEC O2A CGA . .
   HEC C3A C2A C4A .
   HEC CMA C3A HMA3 .
   HEC HMA1 CMA . .
   HEC HMA2 CMA . .
   HEC HMA3 CMA . .
   HEC C4A C3A CHB .
   HEC NA C4A . .
   HEC CHB C4A C1B .
   HEC HHB CHB . .
   HEC C1B CHB C2B .
   HEC C2B C1B C3B .
   HEC CMB C2B HMB3 .
   HEC HMB1 CMB . .
   HEC HMB2 CMB . .
   HEC HMB3 CMB . .
   HEC C3B C2B C4B .
   HEC CAB C3B CBB .
   HEC HAB CAB . .
   HEC CBB CAB HBB3 .
   HEC HBB1 CBB . .
   HEC HBB2 CBB . .
   HEC HBB3 CBB . .
   HEC C4B C3B CHC .
   HEC NB C4B . .
   HEC CHC C4B C1C .
   HEC HHC CHC . .
   HEC C1C CHC C2C .
   HEC C2C C1C C3C .
   HEC CMC C2C HMC3 .
   HEC HMC1 CMC . .
   HEC HMC2 CMC . .
   HEC HMC3 CMC . .
   HEC C3C C2C C4C .
   HEC CAC C3C CBC .
   HEC HAC CAC . .
   HEC CBC CAC HBC3 .
   HEC HBC1 CBC . .
   HEC HBC2 CBC . .
   HEC HBC3 CBC . .
   HEC C4C C3C CHD .
   HEC NC C4C . .
   HEC CHD C4C C1D .
   HEC HHD CHD . .
   HEC C1D CHD C2D .
   HEC C2D C1D C3D .
   HEC CMD C2D HMD3 .
   HEC HMD1 CMD . .
   HEC HMD2 CMD . .
   HEC HMD3 CMD . .
   HEC C3D C2D C4D .
   HEC CAD C3D CBD .
   HEC HAD1 CAD . .
   HEC HAD2 CAD . .
   HEC CBD CAD CGD .
   HEC HBD1 CBD . .
   HEC HBD2 CBD . .
   HEC CGD CBD O2D .
   HEC O1D CGD . .
   HEC O2D CGD . .
   HEC C4D C3D ND .
   HEC ND C4D FE .
   HEC FE ND . END
   HEC C4D CHA . ADD
   HEC C1A NA . ADD
   HEC C1B NB . ADD
   HEC C1C NC . ADD
   HEC C1D ND . ADD
   HEC FE NA . ADD
   HEC FE NB . ADD
   HEC FE NC . ADD

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
   HEC CHA C1A coval 1.378 0.020
   HEC CHA HHA coval 0.980 0.020
   HEC C1A C2A coval 1.449 0.020
   HEC C1A NA coval 1.384 0.020
   HEC C2A CAA coval 1.544 0.020
   HEC C2A C3A coval 1.334 0.020
   HEC CAA CBA coval 1.525 0.020
   HEC CAA HAA1 coval 0.970 0.020
   HEC CAA HAA2 coval 0.970 0.020
   HEC CBA CGA coval 1.506 0.020
   HEC CBA HBA1 coval 0.970 0.020
   HEC CBA HBA2 coval 0.970 0.020
   HEC CGA O1A coval 1.258 0.020
   HEC CGA O2A coval 1.258 0.020
   HEC C3A CMA coval 1.544 0.020
   HEC C3A C4A coval 1.449 0.020
   HEC CMA HMA1 coval 0.980 0.020
   HEC CMA HMA2 coval 0.980 0.020
   HEC CMA HMA3 coval 0.980 0.020
   HEC C4A NA coval 1.384 0.020
   HEC C4A CHB coval 1.378 0.020
   HEC CHB C1B coval 1.378 0.020
   HEC CHB HHB coval 0.980 0.020
   HEC C1B C2B coval 1.449 0.020
   HEC C1B NB coval 1.384 0.020
   HEC C2B CMB coval 1.544 0.020
   HEC C2B C3B coval 1.334 0.020
   HEC CMB HMB1 coval 0.970 0.020
   HEC CMB HMB2 coval 0.970 0.020
   HEC CMB HMB3 coval 0.970 0.020
   HEC C3B CAB coval 1.544 0.020
   HEC C3B C4B coval 1.449 0.020
   HEC CAB CBB coval 1.544 0.020
   HEC CAB HAB coval 0.960 0.020
   HEC CBB HBB1 coval 0.970 0.020
   HEC CBB HBB2 coval 0.970 0.020
   HEC CBB HBB3 coval 0.970 0.020
   HEC C4B NB coval 1.384 0.020
   HEC C4B CHC coval 1.378 0.020
   HEC CHC C1C coval 1.378 0.020
   HEC CHC HHC coval 0.980 0.020
   HEC C1C C2C coval 1.449 0.020
   HEC C1C NC coval 1.384 0.020
   HEC C2C CMC coval 1.544 0.020
   HEC C2C C3C coval 1.334 0.020
   HEC CMC HMC1 coval 0.970 0.020
   HEC CMC HMC2 coval 0.970 0.020
   HEC CMC HMC3 coval 0.970 0.020
   HEC C3C CAC coval 1.544 0.020
   HEC C3C C4C coval 1.449 0.020
   HEC CAC CBC coval 1.544 0.020
   HEC CAC HAC coval 0.960 0.020
   HEC CBC HBC1 coval 0.970 0.020
   HEC CBC HBC2 coval 0.970 0.020
   HEC CBC HBC3 coval 0.970 0.020
   HEC C4C NC coval 1.384 0.020
   HEC C4C CHD coval 1.378 0.020
   HEC CHD HHD coval 0.980 0.020
   HEC C3D C2D coval 1.544 0.020
   HEC C2D CMD coval 1.544 0.020
   HEC C2D C1D coval 1.449 0.020
   HEC CMD HMD1 coval 0.980 0.020
   HEC CMD HMD2 coval 0.980 0.020
   HEC CMD HMD3 coval 0.980 0.020
   HEC C1D ND coval 1.384 0.020
   HEC C1D CHD coval 1.378 0.020
   HEC CHA C4D coval 1.378 0.020
   HEC C4D C3D coval 1.449 0.020
   HEC C4D ND coval 1.384 0.020
   HEC C3D CAD coval 1.544 0.020
   HEC CAD CBD coval 1.525 0.020
   HEC CAD HAD1 coval 0.970 0.020
   HEC CAD HAD2 coval 0.970 0.020
   HEC CBD CGD coval 1.506 0.020
   HEC CBD HBD1 coval 0.970 0.020
   HEC CBD HBD2 coval 0.970 0.020
   HEC CGD O1D coval 1.258 0.020
   HEC CGD O2D coval 1.258 0.020
   HEC FE NA metal 2.080 0.070
   HEC FE NB metal 2.080 0.070
   HEC FE NC metal 2.080 0.070
   HEC FE ND metal 2.080 0.070

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
   HEC C4D CHA C1A 126.000 3.000
   HEC HHA CHA C1A 117.000 3.000
   HEC HHA CHA C4D 117.000 3.000
   HEC CHA C1A C2A 126.000 3.000
   HEC CHA C1A NA 126.000 3.000
   HEC C2A C1A NA 108.000 3.000
   HEC CHA C4D C3D 126.000 3.000
   HEC CHA C4D ND 126.000 3.000
   HEC C3D C4D ND 108.000 3.000
   HEC C1A C2A CAA 126.000 3.000
   HEC CAA C2A C3A 126.000 3.000
   HEC C1A C2A C3A 108.000 3.000
   HEC C4D C3D CAD 126.000 3.000
   HEC CAD C3D C2D 126.000 3.000
   HEC C4D C3D C2D 108.000 3.000
   HEC C2A CAA CBA 109.500 3.000
   HEC C2A CAA HAA1 109.500 3.000
   HEC C2A CAA HAA2 109.500 3.000
   HEC CBA CAA HAA1 109.500 3.000
   HEC CBA CAA HAA2 109.500 3.000
   HEC HAA1 CAA HAA2 109.500 3.000
   HEC C3D CAD CBD 109.500 3.000
   HEC C3D CAD HAD1 109.500 3.000
   HEC C3D CAD HAD2 109.500 3.000
   HEC CBD CAD HAD1 109.500 3.000
   HEC CBD CAD HAD2 109.500 3.000
   HEC HAD1 CAD HAD2 109.500 3.000
   HEC CAA CBA CGA 109.500 3.000
   HEC CAA CBA HBA1 109.500 3.000
   HEC CAA CBA HBA2 109.500 3.000
   HEC CGA CBA HBA1 109.500 3.000
   HEC CGA CBA HBA2 109.500 3.000
   HEC HBA1 CBA HBA2 109.500 3.000
   HEC CAD CBD CGD 109.500 3.000
   HEC CAD CBD HBD1 109.500 3.000
   HEC CAD CBD HBD2 109.500 3.000
   HEC CGD CBD HBD1 109.500 3.000
   HEC CGD CBD HBD2 109.500 3.000
   HEC HBD1 CBD HBD2 109.500 3.000
   HEC CBA CGA O1A 118.500 3.000
   HEC CBA CGA O2A 118.500 3.000
   HEC O1A CGA O2A 123.000 3.000
   HEC CBD CGD O1D 118.500 3.000
   HEC CBD CGD O2D 118.500 3.000
   HEC O1D CGD O2D 123.000 3.000
   HEC C2A C3A CMA 126.000 3.000
   HEC C2A C3A C4A 108.000 3.000
   HEC C4A C3A CMA 126.000 3.000
   HEC C3D C2D CMD 126.000 3.000
   HEC C3D C2D C1D 108.000 3.000
   HEC C1D C2D CMD 126.000 3.000
   HEC C3A CMA HMA1 109.500 3.000
   HEC C3A CMA HMA2 109.500 3.000
   HEC C3A CMA HMA3 109.500 3.000
   HEC HMA1 CMA HMA2 109.500 3.000
   HEC HMA1 CMA HMA3 109.500 3.000
   HEC HMA2 CMA HMA3 109.500 3.000
   HEC C2D CMD HMD1 109.500 3.000
   HEC C2D CMD HMD2 109.500 3.000
   HEC C2D CMD HMD3 109.500 3.000
   HEC HMD1 CMD HMD2 109.500 3.000
   HEC HMD1 CMD HMD3 109.500 3.000
   HEC HMD2 CMD HMD3 109.500 3.000
   HEC C3A C4A CHB 126.000 3.000
   HEC C3A C4A NA 108.000 3.000
   HEC NA C4A CHB 126.000 3.000
   HEC C2D C1D CHD 126.000 3.000
   HEC C2D C1D ND 108.000 3.000
   HEC ND C1D CHD 126.000 3.000
   HEC C1A NA C4A 108.000 3.000
   HEC C1A NA FE 126.000 10.000
   HEC FE NA C4A 126.000 10.000
   HEC C4D ND C1D 108.000 3.000
   HEC C4D ND FE 126.000 10.000
   HEC FE ND C1D 126.000 10.000
   HEC C4A CHB C1B 126.000 3.000
   HEC HHB CHB C1B 117.000 3.000
   HEC HHB CHB C4A 117.000 3.000
   HEC C4C CHD C1D 126.000 3.000
   HEC HHD CHD C1D 117.000 3.000
   HEC HHD CHD C4C 117.000 3.000
   HEC CHB C1B C2B 126.000 3.000
   HEC CHB C1B NB 126.000 3.000
   HEC C2B C1B NB 108.000 3.000
   HEC CHC C1C C2C 126.000 3.000
   HEC CHC C1C NC 126.000 3.000
   HEC C2C C1C NC 108.000 3.000
   HEC C1B C2B CMB 126.000 3.000
   HEC CMB C2B C3B 126.000 3.000
   HEC C1B C2B C3B 108.000 3.000
   HEC C1C C2C CMC 126.000 3.000
   HEC CMC C2C C3C 126.000 3.000
   HEC C1C C2C C3C 108.000 3.000
   HEC C2B CMB HMB1 109.500 3.000
   HEC C2B CMB HMB2 109.500 3.000
   HEC C2B CMB HMB3 109.500 3.000
   HEC HMB1 CMB HMB2 109.500 3.000
   HEC HMB1 CMB HMB3 109.500 3.000
   HEC HMB2 CMB HMB3 109.500 3.000
   HEC C2C CMC HMC1 109.500 3.000
   HEC C2C CMC HMC2 109.500 3.000
   HEC C2C CMC HMC3 109.500 3.000
   HEC HMC1 CMC HMC2 109.500 3.000
   HEC HMC1 CMC HMC3 109.500 3.000
   HEC HMC2 CMC HMC3 109.500 3.000
   HEC C2B C3B CAB 126.000 3.000
   HEC C4B C3B CAB 126.000 3.000
   HEC C4B C3B C2B 108.000 3.000
   HEC C2C C3C CAC 126.000 3.000
   HEC C4C C3C CAC 126.000 3.000
   HEC C4C C3C C2C 108.000 3.000
   HEC C3B CAB CBB 109.000 3.000
   HEC C3B CAB HAB 109.000 3.000
   HEC HAB CAB CBB 109.000 3.000
   HEC CAB CBB HBB1 109.000 3.000
   HEC CAB CBB HBB2 109.000 3.000
   HEC CAB CBB HBB3 109.000 3.000
   HEC HBB1 CBB HBB2 109.000 3.000
   HEC HBB1 CBB HBB3 109.000 3.000
   HEC HBB2 CBB HBB3 109.000 3.000
   HEC C3C CAC CBC 109.000 3.000
   HEC C3C CAC HAC 109.000 3.000
   HEC HAC CAC CBC 109.000 3.000
   HEC CAC CBC HBC1 109.000 3.000
   HEC CAC CBC HBC2 109.000 3.000
   HEC CAC CBC HBC3 109.000 3.000
   HEC HBC1 CBC HBC2 109.000 3.000
   HEC HBC1 CBC HBC3 109.000 3.000
   HEC HBC2 CBC HBC3 109.000 3.000
   HEC C3B C4B CHC 126.000 3.000
   HEC CHC C4B NB 126.000 3.000
   HEC NB C4B C3B 108.000 3.000
   HEC C3C C4C CHD 126.000 3.000
   HEC CHD C4C NC 126.000 3.000
   HEC NC C4C C3C 108.000 3.000
   HEC C4B NB C1B 108.000 3.000
   HEC C4B NB FE 126.000 10.000
   HEC FE NB C1B 126.000 10.000
   HEC C4C NC C1C 108.000 3.000
   HEC C4C NC FE 126.000 10.000
   HEC FE NC C1C 126.000 10.000
   HEC C4B CHC C1C 126.000 3.000
   HEC HHC CHC C1C 117.000 3.000
   HEC HHC CHC C4B 117.000 3.000
   HEC NA FE NB 90.000 10.000
   HEC NA FE ND 90.000 10.000
   HEC NB FE NC 90.000 10.000
   HEC NC FE ND 90.000 10.000
   HEC NB FE ND 180.000 10.000
   HEC NA FE NC 180.000 10.000

loop_
  _chem_comp_tor.comp_id
  _chem_comp_tor.id
  _chem_comp_tor.atom_id_1
  _chem_comp_tor.atom_id_2
  _chem_comp_tor.atom_id_3
  _chem_comp_tor.atom_id_4
  _chem_comp_tor.value_angle
  _chem_comp_tor.value_angle_esd
  _chem_comp_tor.period
   HEC CONST_01 CHA C1A C2A C3A 180.000 0.000 0
   HEC chi1 C1A C2A CAA CBA 180.000 20.000 2
   HEC chi2 C2A CAA CBA CGA 180.000 20.000 2
   HEC chi3 CAA CBA CGA O2A 180.000 20.000 2
   HEC CONST_02 C1A C2A C3A C4A 0.000 0.000 0
   HEC hh1 C2A C3A CMA HMA3 0.000 20.000 3
   HEC CONST_03 C2A C3A C4A CHB 180.000 0.000 0
   HEC CONST_04 C3A C4A CHB C1B 180.000 0.000 0
   HEC CONST_05 C4A CHB C1B C2B 180.000 0.000 0
   HEC CONST_06 CHB C1B C2B C3B 180.000 0.000 0
   HEC hh2 C1B C2B CMB HMB3 0.000 20.000 3
   HEC CONST_07 C1B C2B C3B C4B 0.000 0.000 0
   HEC chi4 C2B C3B CAB CBB 60.000 10.000 2
   HEC hh3 C3B CAB CBB HBB2 180.000 20.000 2
   HEC CONST_08 C2B C3B C4B CHC 180.000 0.000 0
   HEC CONST_09 C3B C4B CHC C1C 180.000 0.000 0
   HEC CONST_10 C4B CHC C1C C2C 180.000 0.000 0
   HEC CONST_11 CHC C1C C2C C3C 180.000 0.000 0
   HEC hh4 C1C C2C CMC HMC3 0.000 20.000 3
   HEC CONST_12 C1C C2C C3C C4C 0.000 0.000 0
   HEC chi5 C2C C3C CAC CBC 60.000 10.000 2
   HEC hh5 C3C CAC CBC HBC2 180.000 20.000 2
   HEC CONST_13 C2C C3C C4C CHD 180.000 0.000 0
   HEC CONST_14 C3C C4C CHD C1D 180.000 0.000 0
   HEC CONST_15 C4C CHD C1D C2D 180.000 0.000 0
   HEC CONST_16 CHD C1D C2D C3D 180.000 0.000 0
   HEC hh6 C1D C2D CMD HMD3 0.000 20.000 3
   HEC CONST_17 C1D C2D C3D C4D 0.000 0.000 0
   HEC chi6 C2D C3D CAD CBD 180.000 20.000 2
   HEC chi7 C3D CAD CBD CGD 180.000 20.000 2
   HEC chi8 CAD CBD CGD O2D 180.000 20.000 2
   HEC CONST_18 C2D C3D C4D ND 0.000 0.000 0
   HEC CONST_19 C3D C4D ND FE 180.000 0.000 0
   HEC CONST_20 C2A C1A CHA HHA 0.000 0.000 0
   HEC CONST_21 C2B C1B CHB HHB 0.000 0.000 0
   HEC CONST_22 C2C C1C CHC HHC 0.000 0.000 0
   HEC CONST_23 C2D C1D CHD HHD 0.000 0.000 0

loop_
  _chem_comp_plane_atom.comp_id
  _chem_comp_plane_atom.plane_id
  _chem_comp_plane_atom.atom_id
  _chem_comp_plane_atom.dist_esd
   HEC A C1A 0.020
   HEC A NA 0.020
   HEC A C4A 0.020
   HEC A C3A 0.020
   HEC A CMA 0.020
   HEC A C2A 0.020
   HEC A CAA 0.020
   HEC A CHA 0.020
   HEC A CHB 0.020
   HEC B C1B 0.020
   HEC B NB 0.020
   HEC B C4B 0.020
   HEC B C3B 0.020
   HEC B CMB 0.020
   HEC B C2B 0.020
   HEC B CAB 0.020
   HEC B CHB 0.020
   HEC B CHC 0.020
   HEC C C1C 0.020
   HEC C NC 0.020
   HEC C C4C 0.020
   HEC C C3C 0.020
   HEC C CMC 0.020
   HEC C C2C 0.020
   HEC C CAC 0.020
   HEC C CHC 0.020
   HEC C CHD 0.020
   HEC D C1D 0.020
   HEC D ND 0.020
   HEC D C4D 0.020
   HEC D C3D 0.020
   HEC D CMD 0.020
   HEC D C2D 0.020
   HEC D CAD 0.020
   HEC D CHD 0.020
   HEC D CHA 0.020
   HEC plan1 CBD 0.020
   HEC plan1 CGD 0.020
   HEC plan1 O1D 0.020
   HEC plan1 O2D 0.020
   HEC plan2 CBA 0.020
   HEC plan2 CGA 0.020
   HEC plan2 O1A 0.020
   HEC plan2 O2A 0.020
   HEC plan3 CHA 0.020
   HEC plan3 HHA 0.020
   HEC plan3 C1A 0.020
   HEC plan3 C4D 0.020
   HEC plan4 CHB 0.020
   HEC plan4 HHB 0.020
   HEC plan4 C1B 0.020
   HEC plan4 C4A 0.020
   HEC plan5 CHC 0.020
   HEC plan5 HHC 0.020
   HEC plan5 C1C 0.020
   HEC plan5 C4B 0.020
   HEC plan6 CHD 0.020
   HEC plan6 HHD 0.020
   HEC plan6 C1D 0.020
   HEC plan6 C4C 0.020

loop_
  _chem_comp_plane.comp_id
  _chem_comp_plane.id
   HEC A
   HEC B
   HEC C
   HEC D
   HEC plan1
   HEC plan2
   HEC plan3
   HEC plan4
   HEC plan5
   HEC plan6

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
  _chem_comp.desc_level
   HEC . 'heme-C                              ' non-polymer 75 43 .

