data_2yl3_qFit
_cell.length_a                    53.506
_cell.length_b                    53.506
_cell.length_c                    181.574
_cell.angle_alpha                 90.000
_cell.angle_beta                  90.000
_cell.angle_gamma                 120.000
_cell.volume                      450183.200
_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     9.21
_refine.pdbx_refine_id            'X-RAY DIFFRACTION'
_refine.ls_d_res_low              46.34
_refine.ls_d_res_high             1.04
_refine.pdbx_ls_sigma_F           1.86
_refine.ls_percent_reflns_obs     99.34
_refine.ls_number_reflns_obs      74401
_refine.ls_number_reflns_R_work   72401
_refine.ls_number_reflns_R_free   2000
_refine.ls_R_factor_obs           0.1862
_refine.ls_R_factor_R_work        0.1858
_refine.ls_R_factor_R_free        0.2025
_refine.ls_percent_reflns_R_free  2.69
_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             0.1050
_refine.pdbx_overall_phase_error  19.7124
_refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2'
_refine.B_iso_mean                12.79
_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 1523 0.0130 ? ?
   'X-RAY DIFFRACTION' f_angle_d 2098 1.4008 ? ?
   'X-RAY DIFFRACTION' f_chiral_restr 209 0.0884 ? ?
   'X-RAY DIFFRACTION' f_plane_restr 282 0.0118 ? ?
   'X-RAY DIFFRACTION' f_dihedral_angle_d 577 15.4101 ? ?

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' 2.51 46.34 5676 0.1733 99.68 0.1886 157
   'X-RAY DIFFRACTION' 1.99 2.51 5341 0.1669 100.00 0.1953 147
   'X-RAY DIFFRACTION' 1.74 1.99 5279 0.1785 99.91 0.1962 147
   'X-RAY DIFFRACTION' 1.58 1.74 5195 0.1759 99.53 0.1882 143
   'X-RAY DIFFRACTION' 1.47 1.58 5155 0.1760 98.99 0.1977 142
   'X-RAY DIFFRACTION' 1.38 1.47 5114 0.1925 99.13 0.1858 141
   'X-RAY DIFFRACTION' 1.31 1.38 5119 0.1975 99.10 0.2405 142
   'X-RAY DIFFRACTION' 1.25 1.31 5135 0.1951 99.98 0.2084 141
   'X-RAY DIFFRACTION' 1.21 1.25 5138 0.2014 99.87 0.2012 142
   'X-RAY DIFFRACTION' 1.16 1.21 5072 0.2091 99.69 0.2253 140
   'X-RAY DIFFRACTION' 1.13 1.16 5119 0.2338 99.53 0.2377 142
   'X-RAY DIFFRACTION' 1.09 1.13 5054 0.2467 99.24 0.2509 140
   'X-RAY DIFFRACTION' 1.07 1.09 5050 0.2556 98.91 0.3000 139
   'X-RAY DIFFRACTION' 1.04 1.07 4954 0.2804 97.23 0.2916 137

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

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 126 C . 'Bond created based on atom type and distance.'
   C00002 covale CYS A 116 SG CYS A 115 SG . HEC A 1128 CAB HEC C . CAB . 'Bond created based on atom type and distance.'
   C00003 covale CYS A 116 SG CYS A 115 SG . HEC A 1128 CAB HEC C . CAB . 'Bond created based on atom type and distance.'
   C00004 covale CYS A 119 SG CYS A 118 SG . HEC A 1128 CAC HEC C . CAC . 'Bond created based on atom type and distance.'
   C00005 covale HIS A 120 NE2 HIS A 119 NE2 . HEC A 1128 FE HEC C . 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 . . 13.53868 8.76290 3.62829 . 5.59997 0.29039 49.61845 . 0.0 
;
3-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   H . . 0.53795 0.34799 0.11320 . 10.08003 29.74760 2.57510 . 0.0 
;
3-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
   CMO
   CYS
   GLN
   GLU
   GLY
   HEC
   HIS
   HOH
   ILE
   LEU
   LYS
   MET
   PCA
   PHE
   PRO
   SER
   SO4
   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 ? 32.29401 -8.42694 2.72427 1.000 8.26427 N ? A ? 1 N 1
   ATOM 2 CA . PHE A 2 ? 33.38086 -9.29275 3.15609 1.000 9.34065 C ? A ? 1 CA 1
   ATOM 3 C . PHE A 2 ? 34.61691 -8.97109 2.36609 1.000 9.71848 C ? A ? 1 C 1
   ATOM 4 O . PHE A 2 ? 34.60063 -8.94927 1.13080 1.000 11.04271 O ? A ? 1 O 1
   ATOM 5 HA . PHE A 2 ? 33.60679 -9.17475 4.09200 1.000 11.22263 H ? A ? 1 HA 1
   ATOM 6 CB A PHE A 2 ? 32.91782 -10.76262 2.94970 0.773 9.92642 C ? A ? 1 CB 1
   ATOM 7 CG A PHE A 2 ? 31.64219 -11.07762 3.70389 0.773 8.44616 C ? A ? 1 CG 1
   ATOM 8 CD1 A PHE A 2 ? 31.59185 -10.98376 5.08199 0.773 8.28335 C ? A ? 1 CD1 1
   ATOM 9 CD2 A PHE A 2 ? 30.47525 -11.41827 3.03693 0.773 8.67001 C ? A ? 1 CD2 1
   ATOM 10 CE1 A PHE A 2 ? 30.42330 -11.21493 5.78536 0.773 8.65864 C ? A ? 1 CE1 1
   ATOM 11 CE2 A PHE A 2 ? 29.29873 -11.64827 3.74706 0.773 9.05064 C ? A ? 1 CE2 1
   ATOM 12 CZ A PHE A 2 ? 29.29448 -11.56006 5.12077 0.773 9.61718 C ? A ? 1 CZ 1
   ATOM 13 HB2 A PHE A 2 ? 32.75544 -10.91430 2.00550 0.773 11.92556 H ? A ? 1 HB2 1
   ATOM 14 HB3 A PHE A 2 ? 33.61183 -11.36125 3.26733 0.773 11.92556 H ? A ? 1 HB3 1
   ATOM 15 HD1 A PHE A 2 ? 32.36421 -10.75921 5.54883 0.773 9.95388 H ? A ? 1 HD1 1
   ATOM 16 HD2 A PHE A 2 ? 30.47787 -11.49369 2.10999 0.773 10.41787 H ? A ? 1 HD2 1
   ATOM 17 HE1 A PHE A 2 ? 30.41271 -11.13363 6.71174 0.773 10.40422 H ? A ? 1 HE1 1
   ATOM 18 HE2 A PHE A 2 ? 28.51581 -11.86152 3.29267 0.773 10.87463 H ? A ? 1 HE2 1
   ATOM 19 HZ A PHE A 2 ? 28.51401 -11.73800 5.59418 0.773 11.55448 H ? A ? 1 HZ 1
   ATOM 20 CB B PHE A 2 ? 32.94237 -10.72422 3.02404 0.227 10.25058 C ? A ? 1 CB 1
   ATOM 21 CG B PHE A 2 ? 31.73737 -11.01648 3.83313 0.227 6.99038 C ? A ? 1 CG 1
   ATOM 22 CD1 B PHE A 2 ? 31.74499 -10.84592 5.20688 0.227 8.74823 C ? A ? 1 CD1 1
   ATOM 23 CD2 B PHE A 2 ? 30.58363 -11.44923 3.22510 0.227 8.06855 C ? A ? 1 CD2 1
   ATOM 24 CE1 B PHE A 2 ? 30.61678 -11.10451 5.95919 0.227 7.70607 C ? A ? 1 CE1 1
   ATOM 25 CE2 B PHE A 2 ? 29.45765 -11.70948 3.96288 0.227 8.36732 C ? A ? 1 CE2 1
   ATOM 26 CZ B PHE A 2 ? 29.47706 -11.54354 5.33688 0.227 5.80562 C ? A ? 1 CZ 1
   ATOM 27 HB2 B PHE A 2 ? 32.73507 -10.90883 2.09461 0.227 12.31455 H ? A ? 1 HB2 1
   ATOM 28 HB3 B PHE A 2 ? 33.65804 -11.30516 3.32605 0.227 12.31455 H ? A ? 1 HB3 1
   ATOM 29 HD1 B PHE A 2 ? 32.52050 -10.55323 5.62858 0.227 10.51173 H ? A ? 1 HD1 1
   ATOM 30 HD2 B PHE A 2 ? 30.56631 -11.56693 2.30275 0.227 9.69611 H ? A ? 1 HD2 1
   ATOM 31 HE1 B PHE A 2 ? 30.62986 -10.98181 6.88097 0.227 9.26114 H ? A ? 1 HE1 1
   ATOM 32 HE2 B PHE A 2 ? 28.68095 -11.99747 3.54016 0.227 10.05464 H ? A ? 1 HE2 1
   ATOM 33 HZ B PHE A 2 ? 28.71630 -11.73005 5.83823 0.227 6.98060 H ? A ? 1 HZ 1
   ATOM 34 N . ALA A 3 ? 35.69863 -8.67630 3.08545 1.000 9.90643 N ? A ? 2 N 1
   ATOM 35 CA . ALA A 3 ? 36.92822 -8.25519 2.42558 1.000 13.55806 C ? A ? 2 CA 1
   ATOM 36 C . ALA A 3 ? 37.53481 -9.39962 1.62108 1.000 13.41563 C ? A ? 2 C 1
   ATOM 37 O . ALA A 3 ? 38.10066 -9.17113 0.53752 1.000 14.52078 O ? A ? 2 O 1
   ATOM 38 CB . ALA A 3 ? 37.90058 -7.70908 3.46748 1.000 13.09090 C ? A ? 2 CB 1
   ATOM 39 H . ALA A 3 ? 35.74520 -8.71177 3.94346 1.000 11.90157 H ? A ? 2 H 1
   ATOM 40 HA . ALA A 3 ? 36.74020 -7.53768 1.80050 1.000 16.28353 H ? A ? 2 HA 1
   ATOM 41 HB1 . ALA A 3 ? 38.68458 -7.35996 3.01542 1.000 15.72294 H ? A ? 2 HB1 1
   ATOM 42 HB2 . ALA A 3 ? 37.46389 -7.00120 3.96659 1.000 15.72294 H ? A ? 2 HB2 1
   ATOM 43 HB3 . ALA A 3 ? 38.15687 -8.42709 4.06722 1.000 15.72294 H ? A ? 2 HB3 1
   ATOM 44 N . LYS A 4 ? 37.41165 -10.62088 2.13315 1.000 12.30663 N ? A ? 3 N 1
   ATOM 45 CA . LYS A 4 ? 37.92972 -11.82115 1.50282 1.000 11.58726 C ? A ? 3 CA 1
   ATOM 46 C . LYS A 4 ? 36.89875 -12.92281 1.66166 1.000 11.90835 C ? A ? 3 C 1
   ATOM 47 O . LYS A 4 ? 36.04982 -12.84848 2.56217 1.000 10.71771 O ? A ? 3 O 1
   ATOM 48 H . LYS A 4 ? 37.01340 -10.78180 2.87820 1.000 14.78182 H ? A ? 3 H 1
   ATOM 49 HA . LYS A 4 ? 38.07928 -11.65305 0.55928 1.000 13.91857 H ? A ? 3 HA 1
   ATOM 50 CB A LYS A 4 ? 39.21234 -12.31565 2.17526 0.494 13.53721 C ? A ? 3 CB 1
   ATOM 51 CG A LYS A 4 ? 40.30146 -11.28572 2.26726 0.494 15.59245 C ? A ? 3 CG 1
   ATOM 52 CD A LYS A 4 ? 41.61151 -11.93726 2.65547 0.494 24.62472 C ? A ? 3 CD 1
   ATOM 53 CE A LYS A 4 ? 41.44130 -12.59708 4.00716 0.494 22.51467 C ? A ? 3 CE 1
   ATOM 54 NZ A LYS A 4 ? 41.75190 -14.02703 4.04121 0.494 32.20727 N ? A ? 3 NZ 1
   ATOM 55 HB2 A LYS A 4 ? 38.99892 -12.59842 3.07825 0.494 16.25851 H ? A ? 3 HB2 1
   ATOM 56 HB3 A LYS A 4 ? 39.55934 -13.06492 1.66625 0.494 16.25851 H ? A ? 3 HB3 1
   ATOM 57 HG2 A LYS A 4 ? 40.41401 -10.85309 1.40641 0.494 18.72479 H ? A ? 3 HG2 1
   ATOM 58 HG3 A LYS A 4 ? 40.07116 -10.62767 2.94168 0.494 18.72479 H ? A ? 3 HG3 1
   ATOM 59 HD2 A LYS A 4 ? 41.85358 -12.61182 2.00181 0.494 29.56352 H ? A ? 3 HD2 1
   ATOM 60 HD3 A LYS A 4 ? 42.31063 -11.26755 2.71557 0.494 29.56352 H ? A ? 3 HD3 1
   ATOM 61 HE2 A LYS A 4 ? 42.02983 -12.15724 4.64047 0.494 27.03146 H ? A ? 3 HE2 1
   ATOM 62 HE3 A LYS A 4 ? 40.51786 -12.49410 4.28565 0.494 27.03146 H ? A ? 3 HE3 1
   ATOM 63 HZ1 A LYS A 4 ? 41.54390 -14.36482 4.83791 0.494 38.66259 H ? A ? 3 HZ1 1
   ATOM 64 HZ2 A LYS A 4 ? 41.28552 -14.45481 3.41543 0.494 38.66259 H ? A ? 3 HZ2 1
   ATOM 65 HZ3 A LYS A 4 ? 42.62004 -14.15361 3.89153 0.494 38.66259 H ? A ? 3 HZ3 1
   ATOM 66 CB B LYS A 4 ? 39.25679 -12.27199 2.12100 0.506 13.65434 C ? A ? 3 CB 1
   ATOM 67 CG B LYS A 4 ? 40.41607 -11.36299 1.76439 0.506 15.28570 C ? A ? 3 CG 1
   ATOM 68 CD B LYS A 4 ? 41.74254 -11.88152 2.29122 0.506 24.11599 C ? A ? 3 CD 1
   ATOM 69 CE B LYS A 4 ? 42.83210 -10.83593 2.14653 0.506 21.48336 C ? A ? 3 CE 1
   ATOM 70 NZ B LYS A 4 ? 42.86710 -10.24794 0.78327 0.506 29.78152 N ? A ? 3 NZ 1
   ATOM 71 HB2 B LYS A 4 ? 39.16779 -12.27855 3.08689 0.506 16.39907 H ? A ? 3 HB2 1
   ATOM 72 HB3 B LYS A 4 ? 39.46613 -13.16346 1.80107 0.506 16.39907 H ? A ? 3 HB3 1
   ATOM 73 HG2 B LYS A 4 ? 40.48149 -11.29539 0.79896 0.506 18.35670 H ? A ? 3 HG2 1
   ATOM 74 HG3 B LYS A 4 ? 40.26189 -10.48581 2.14870 0.506 18.35670 H ? A ? 3 HG3 1
   ATOM 75 HD2 B LYS A 4 ? 41.65252 -12.10275 3.23136 0.506 28.95305 H ? A ? 3 HD2 1
   ATOM 76 HD3 B LYS A 4 ? 42.00420 -12.66886 1.78870 0.506 28.95305 H ? A ? 3 HD3 1
   ATOM 77 HE2 B LYS A 4 ? 42.67232 -10.11950 2.78064 0.506 25.79389 H ? A ? 3 HE2 1
   ATOM 78 HE3 B LYS A 4 ? 43.69327 -11.24705 2.32052 0.506 25.79389 H ? A ? 3 HE3 1
   ATOM 79 HZ1 B LYS A 4 ? 43.55920 -9.69338 0.70863 0.506 35.75168 H ? A ? 3 HZ1 1
   ATOM 80 HZ2 B LYS A 4 ? 42.94709 -10.89312 0.17545 0.506 35.75168 H ? A ? 3 HZ2 1
   ATOM 81 HZ3 B LYS A 4 ? 42.11654 -9.79575 0.62744 0.506 35.75168 H ? A ? 3 HZ3 1
   ATOM 82 N A PRO A 5 ? 36.94369 -13.96366 0.84512 0.443 11.46045 N ? A ? 4 N 1
   ATOM 83 CA A PRO A 5 ? 35.95471 -15.06268 1.00710 0.443 12.42187 C ? A ? 4 CA 1
   ATOM 84 C A PRO A 5 ? 36.00049 -15.74653 2.36456 0.443 9.34713 C ? A ? 4 C 1
   ATOM 85 O A PRO A 5 ? 34.97440 -16.23585 2.86815 0.443 11.27474 O ? A ? 4 O 1
   ATOM 86 CB A PRO A 5 ? 36.28317 -16.01143 -0.15930 0.443 14.10830 C ? A ? 4 CB 1
   ATOM 87 CG A PRO A 5 ? 37.72603 -15.61180 -0.58334 0.443 12.16584 C ? A ? 4 CG 1
   ATOM 88 CD A PRO A 5 ? 37.80918 -14.13918 -0.32970 0.443 14.29738 C ? A ? 4 CD 1
   ATOM 89 HA A PRO A 5 ? 35.05722 -14.71851 0.87687 0.443 14.92010 H ? A ? 4 HA 1
   ATOM 90 HB2 A PRO A 5 ? 36.24946 -16.93308 0.14125 0.443 16.94382 H ? A ? 4 HB2 1
   ATOM 91 HB3 A PRO A 5 ? 35.65488 -15.87621 -0.88585 0.443 16.94382 H ? A ? 4 HB3 1
   ATOM 92 HG2 A PRO A 5 ? 38.37415 -16.09344 -0.04589 0.443 14.61286 H ? A ? 4 HG2 1
   ATOM 93 HG3 A PRO A 5 ? 37.86151 -15.81006 -1.52315 0.443 14.61286 H ? A ? 4 HG3 1
   ATOM 94 HD2 A PRO A 5 ? 38.72050 -13.87148 -0.13293 0.443 17.17071 H ? A ? 4 HD2 1
   ATOM 95 HD3 A PRO A 5 ? 37.47208 -13.63654 -1.08773 0.443 17.17071 H ? A ? 4 HD3 1
   ATOM 96 N B PRO A 5 ? 36.94663 -13.93054 0.81825 0.557 11.50177 N ? A ? 4 N 1
   ATOM 97 CA B PRO A 5 ? 36.00682 -15.05468 0.94663 0.557 12.83730 C ? A ? 4 CA 1
   ATOM 98 C B PRO A 5 ? 35.98820 -15.64080 2.34375 0.557 9.76049 C ? A ? 4 C 1
   ATOM 99 O B PRO A 5 ? 34.90313 -15.96550 2.84092 0.557 8.22533 O ? A ? 4 O 1
   ATOM 100 CB B PRO A 5 ? 36.53319 -16.05282 -0.10392 0.557 15.55340 C ? A ? 4 CB 1
   ATOM 101 CG B PRO A 5 ? 37.30220 -15.23726 -1.08557 0.557 13.80299 C ? A ? 4 CG 1
   ATOM 102 CD B PRO A 5 ? 37.78813 -14.00367 -0.39698 0.557 13.95394 C ? A ? 4 CD 1
   ATOM 103 HA B PRO A 5 ? 35.10839 -14.78394 0.70081 0.557 15.41862 H ? A ? 4 HA 1
   ATOM 104 HB2 B PRO A 5 ? 37.10679 -16.70708 0.32484 0.557 18.67794 H ? A ? 4 HB2 1
   ATOM 105 HB3 B PRO A 5 ? 35.78698 -16.49783 -0.53524 0.557 18.67794 H ? A ? 4 HB3 1
   ATOM 106 HG2 B PRO A 5 ? 38.05429 -15.75746 -1.40904 0.557 16.57744 H ? A ? 4 HG2 1
   ATOM 107 HG3 B PRO A 5 ? 36.72050 -15.00006 -1.82466 0.557 16.57744 H ? A ? 4 HG3 1
   ATOM 108 HD2 B PRO A 5 ? 38.72555 -14.08715 -0.16207 0.557 16.75859 H ? A ? 4 HD2 1
   ATOM 109 HD3 B PRO A 5 ? 37.65447 -13.22217 -0.95581 0.557 16.75859 H ? A ? 4 HD3 1
   ATOM 110 N . GLU A 6 ? 37.16660 -15.76065 2.99210 1.000 9.76942 N ? A ? 5 N 1
   ATOM 111 CA . GLU A 6 ? 37.26852 -16.30269 4.34297 1.000 9.13024 C ? A ? 5 CA 1
   ATOM 112 C . GLU A 6 ? 36.37471 -15.56185 5.31217 1.000 8.53837 C ? A ? 5 C 1
   ATOM 113 O . GLU A 6 ? 35.90985 -16.15330 6.28377 1.000 8.86191 O ? A ? 5 O 1
   ATOM 114 CB . GLU A 6 ? 38.72044 -16.20319 4.81267 1.000 9.94359 C ? A ? 5 CB 1
   ATOM 115 CG . GLU A 6 ? 39.69127 -17.23297 4.20227 1.000 13.00672 C ? A ? 5 CG 1
   ATOM 116 CD . GLU A 6 ? 40.27004 -16.84210 2.83129 1.000 10.96559 C ? A ? 5 CD 1
   ATOM 117 OE1 . GLU A 6 ? 39.88765 -15.84066 2.20881 1.000 12.09857 O ? A ? 5 OE1 1
   ATOM 118 OE2 . GLU A 6 ? 41.19241 -17.62334 2.37976 1.000 11.85658 O ? A ? 5 OE2 1
   ATOM 119 HA . GLU A 6 ? 36.99643 -17.23368 4.33143 1.000 10.97015 H ? A ? 5 HA 1
   ATOM 120 HB2 . GLU A 6 ? 39.05457 -15.32168 4.58419 1.000 11.94617 H ? A ? 5 HB2 1
   ATOM 121 HB3 . GLU A 6 ? 38.73822 -16.32562 5.77475 1.000 11.94617 H ? A ? 5 HB3 1
   ATOM 122 HG2 . GLU A 6 ? 40.43771 -17.35080 4.81041 1.000 15.62192 H ? A ? 5 HG2 1
   ATOM 123 HG3 . GLU A 6 ? 39.21899 -18.07277 4.09008 1.000 15.62192 H ? A ? 5 HG3 1
   ATOM 124 H A GLU A 6 ? 37.90618 -15.46729 2.66566 0.443 11.73716 H ? A ? 5 H 1
   ATOM 125 H B GLU A 6 ? 37.92550 -15.52991 2.65978 0.557 11.73716 H ? A ? 5 H 1
   ATOM 126 N . ASP A 7 ? 36.15993 -14.26564 5.08553 1.000 8.21119 N ? A ? 6 N 1
   ATOM 127 CA . ASP A 7 ? 35.29849 -13.48943 5.97475 1.000 8.27889 C ? A ? 6 CA 1
   ATOM 128 C . ASP A 7 ? 33.83345 -13.89288 5.80939 1.000 7.96764 C ? A ? 6 C 1
   ATOM 129 O . ASP A 7 ? 33.07258 -13.89956 6.78903 1.000 8.08616 O ? A ? 6 O 1
   ATOM 130 CB . ASP A 7 ? 35.49134 -11.99392 5.72095 1.000 9.46506 C ? A ? 6 CB 1
   ATOM 131 CG . ASP A 7 ? 36.92374 -11.55452 5.97575 1.000 10.57702 C ? A ? 6 CG 1
   ATOM 132 OD1 . ASP A 7 ? 37.43717 -11.89283 7.05381 1.000 13.19444 O ? A ? 6 OD1 1
   ATOM 133 OD2 . ASP A 7 ? 37.52331 -10.93212 5.07365 1.000 13.48021 O ? A ? 6 OD2 1
   ATOM 134 H . ASP A 7 ? 36.49631 -13.81774 4.43297 1.000 9.86728 H ? A ? 6 H 1
   ATOM 135 HA . ASP A 7 ? 35.55222 -13.66414 6.89453 1.000 9.94853 H ? A ? 6 HA 1
   ATOM 136 HB2 . ASP A 7 ? 35.27327 -11.79629 4.79668 1.000 11.37193 H ? A ? 6 HB2 1
   ATOM 137 HB3 . ASP A 7 ? 34.91012 -11.49204 6.31357 1.000 11.37193 H ? A ? 6 HB3 1
   ATOM 138 N . ALA A 8 ? 33.40753 -14.19397 4.57393 1.000 7.59040 N ? A ? 7 N 1
   ATOM 139 CA . ALA A 8 ? 32.05410 -14.70560 4.34637 1.000 7.47756 C ? A ? 7 CA 1
   ATOM 140 C . ALA A 8 ? 31.86010 -16.05541 4.99862 1.000 7.56414 C ? A ? 7 C 1
   ATOM 141 O . ALA A 8 ? 30.79076 -16.33402 5.59299 1.000 6.84622 O ? A ? 7 O 1
   ATOM 142 CB . ALA A 8 ? 31.77565 -14.81067 2.85330 1.000 8.17002 C ? A ? 7 CB 1
   ATOM 143 H . ALA A 8 ? 33.87915 -14.11122 3.85956 1.000 9.12233 H ? A ? 7 H 1
   ATOM 144 HA . ALA A 8 ? 31.42245 -14.08058 4.73530 1.000 8.98692 H ? A ? 7 HA 1
   ATOM 145 HB1 . ALA A 8 ? 30.86396 -15.11511 2.72274 1.000 9.81789 H ? A ? 7 HB1 1
   ATOM 146 HB2 . ALA A 8 ? 31.89409 -13.93752 2.44775 1.000 9.81789 H ? A ? 7 HB2 1
   ATOM 147 HB3 . ALA A 8 ? 32.39561 -15.44478 2.46029 1.000 9.81789 H ? A ? 7 HB3 1
   ATOM 148 N A VAL A 9 ? 32.88413 -16.91263 4.93709 0.141 7.36022 N ? A ? 8 N 1
   ATOM 149 CA A VAL A 9 ? 32.80530 -18.22937 5.56676 0.141 7.33960 C ? A ? 8 CA 1
   ATOM 150 C A VAL A 9 ? 32.67002 -18.08780 7.07955 0.141 7.67640 C ? A ? 8 C 1
   ATOM 151 O A VAL A 9 ? 31.83671 -18.74615 7.71374 0.141 6.84662 O ? A ? 8 O 1
   ATOM 152 CB A VAL A 9 ? 34.03335 -19.07739 5.18098 0.141 7.41664 C ? A ? 8 CB 1
   ATOM 153 CG1 A VAL A 9 ? 34.05240 -20.38695 5.97479 0.141 7.69906 C ? A ? 8 CG1 1
   ATOM 154 CG2 A VAL A 9 ? 34.06096 -19.36267 3.68422 0.141 7.76186 C ? A ? 8 CG2 1
   ATOM 155 H A VAL A 9 ? 33.63013 -16.75560 4.53905 0.141 8.84612 H ? A ? 8 H 1
   ATOM 156 HA A VAL A 9 ? 32.01228 -18.68328 5.24119 0.141 8.82138 H ? A ? 8 HA 1
   ATOM 157 HB A VAL A 9 ? 34.83175 -18.57202 5.40020 0.141 8.91383 H ? A ? 8 HB 1
   ATOM 158 HG11 A VAL A 9 ? 34.67036 -21.00358 5.55196 0.141 9.25273 H ? A ? 8 HG11 1
   ATOM 159 HG12 A VAL A 9 ? 34.33923 -20.20174 6.88272 0.141 9.25273 H ? A ? 8 HG12 1
   ATOM 160 HG13 A VAL A 9 ? 33.15939 -20.76564 5.98077 0.141 9.25273 H ? A ? 8 HG13 1
   ATOM 161 HG21 A VAL A 9 ? 34.92041 -19.74776 3.45193 0.141 9.32809 H ? A ? 8 HG21 1
   ATOM 162 HG22 A VAL A 9 ? 33.34993 -19.98617 3.46839 0.141 9.32809 H ? A ? 8 HG22 1
   ATOM 163 HG23 A VAL A 9 ? 33.92971 -18.53142 3.20182 0.141 9.32809 H ? A ? 8 HG23 1
   ATOM 164 N B VAL A 9 ? 32.84722 -16.92412 4.82914 0.495 7.23070 N ? A ? 8 N 1
   ATOM 165 CA B VAL A 9 ? 32.77377 -18.23980 5.43328 0.495 7.07404 C ? A ? 8 CA 1
   ATOM 166 C B VAL A 9 ? 32.59705 -18.12085 6.94967 0.495 7.71680 C ? A ? 8 C 1
   ATOM 167 O B VAL A 9 ? 31.72750 -18.76847 7.55336 0.495 7.08940 O ? A ? 8 O 1
   ATOM 168 CB B VAL A 9 ? 34.01671 -19.03953 5.00403 0.495 7.22193 C ? A ? 8 CB 1
   ATOM 169 CG1 B VAL A 9 ? 34.02514 -20.33855 5.72483 0.495 8.54118 C ? A ? 8 CG1 1
   ATOM 170 CG2 B VAL A 9 ? 34.05935 -19.17836 3.46026 0.495 7.50238 C ? A ? 8 CG2 1
   ATOM 171 H B VAL A 9 ? 33.56160 -16.77627 4.37372 0.495 8.69070 H ? A ? 8 H 1
   ATOM 172 HA B VAL A 9 ? 31.99211 -18.72196 5.12117 0.495 8.50271 H ? A ? 8 HA 1
   ATOM 173 HB B VAL A 9 ? 34.83476 -18.57724 5.24485 0.495 8.68018 H ? A ? 8 HB 1
   ATOM 174 HG11 B VAL A 9 ? 34.70693 -20.90992 5.33804 0.495 10.26327 H ? A ? 8 HG11 1
   ATOM 175 HG12 B VAL A 9 ? 34.21991 -20.17869 6.66153 0.495 10.26327 H ? A ? 8 HG12 1
   ATOM 176 HG13 B VAL A 9 ? 33.15396 -20.75544 5.63459 0.495 10.26327 H ? A ? 8 HG13 1
   ATOM 177 HG21 B VAL A 9 ? 34.74719 -19.81858 3.21964 0.495 9.01671 H ? A ? 8 HG21 1
   ATOM 178 HG22 B VAL A 9 ? 33.19510 -19.48800 3.14705 0.495 9.01671 H ? A ? 8 HG22 1
   ATOM 179 HG23 B VAL A 9 ? 34.26181 -18.31333 3.07087 0.495 9.01671 H ? A ? 8 HG23 1
   ATOM 180 N C VAL A 9 ? 32.88222 -16.93411 4.93020 0.364 7.36510 N ? A ? 8 N 1
   ATOM 181 CA C VAL A 9 ? 32.83195 -18.23500 5.62174 0.364 7.48025 C ? A ? 8 CA 1
   ATOM 182 C C VAL A 9 ? 32.67779 -18.03544 7.12738 0.364 7.59829 C ? A ? 8 C 1
   ATOM 183 O C VAL A 9 ? 31.86915 -18.69420 7.79802 0.364 6.72562 O ? A ? 8 O 1
   ATOM 184 CB C VAL A 9 ? 34.09614 -19.08186 5.33002 0.364 6.90824 C ? A ? 8 CB 1
   ATOM 185 CG1 C VAL A 9 ? 34.14088 -20.38891 6.23495 0.364 7.18110 C ? A ? 8 CG1 1
   ATOM 186 CG2 C VAL A 9 ? 34.18580 -19.51352 3.89663 0.364 5.26381 C ? A ? 8 CG2 1
   ATOM 187 H C VAL A 9 ? 33.61024 -16.80011 4.49244 0.364 8.85197 H ? A ? 8 H 1
   ATOM 188 HA C VAL A 9 ? 32.05815 -18.70938 5.27955 0.364 8.99015 H ? A ? 8 HA 1
   ATOM 189 HB C VAL A 9 ? 34.85044 -18.50671 5.53283 0.364 8.30375 H ? A ? 8 HB 1
   ATOM 190 HG11 C VAL A 9 ? 34.76576 -21.02086 5.84628 0.364 8.63118 H ? A ? 8 HG11 1
   ATOM 191 HG12 C VAL A 9 ? 34.42980 -20.14486 7.12818 0.364 8.63118 H ? A ? 8 HG12 1
   ATOM 192 HG13 C VAL A 9 ? 33.25373 -20.77964 6.26945 0.364 8.63118 H ? A ? 8 HG13 1
   ATOM 193 HG21 C VAL A 9 ? 35.02076 -19.98834 3.76145 0.364 6.33043 H ? A ? 8 HG21 1
   ATOM 194 HG22 C VAL A 9 ? 33.43729 -20.09660 3.69501 0.364 6.33043 H ? A ? 8 HG22 1
   ATOM 195 HG23 C VAL A 9 ? 34.15597 -18.72830 3.32790 0.364 6.33043 H ? A ? 8 HG23 1
   ATOM 196 N A LYS A 10 ? 33.49823 -17.23176 7.68355 0.141 7.25231 N ? A ? 9 N 1
   ATOM 197 CA A LYS A 10 ? 33.39663 -17.00731 9.12277 0.141 7.22256 C ? A ? 9 CA 1
   ATOM 198 C A LYS A 10 ? 32.01399 -16.48452 9.50027 0.141 7.29020 C ? A ? 9 C 1
   ATOM 199 O A LYS A 10 ? 31.45736 -16.85692 10.54109 0.141 7.71152 O ? A ? 9 O 1
   ATOM 200 CB A LYS A 10 ? 34.46647 -16.01490 9.57635 0.141 8.74076 C ? A ? 9 CB 1
   ATOM 201 CG A LYS A 10 ? 35.82857 -16.62657 9.85715 0.141 8.56119 C ? A ? 9 CG 1
   ATOM 202 CD A LYS A 10 ? 36.87839 -15.53729 10.02833 0.141 10.31630 C ? A ? 9 CD 1
   ATOM 203 CE A LYS A 10 ? 38.27532 -16.10607 10.22926 0.141 11.79565 C ? A ? 9 CE 1
   ATOM 204 NZ A LYS A 10 ? 39.29125 -15.02202 10.38634 0.141 15.84087 N ? A ? 9 NZ 1
   ATOM 205 H A LYS A 10 ? 34.11414 -16.77863 7.28994 0.141 8.71663 H ? A ? 9 H 1
   ATOM 206 HA A LYS A 10 ? 33.54537 -17.85046 9.57869 0.141 8.68093 H ? A ? 9 HA 1
   ATOM 207 HB2 A LYS A 10 ? 34.58380 -15.34987 8.88002 0.141 10.50276 H ? A ? 9 HB2 1
   ATOM 208 HB3 A LYS A 10 ? 34.16414 -15.58940 10.39393 0.141 10.50276 H ? A ? 9 HB3 1
   ATOM 209 HG2 A LYS A 10 ? 35.78845 -17.14798 10.67411 0.141 10.28729 H ? A ? 9 HG2 1
   ATOM 210 HG3 A LYS A 10 ? 36.08968 -17.19320 9.11442 0.141 10.28729 H ? A ? 9 HG3 1
   ATOM 211 HD2 A LYS A 10 ? 36.89126 -14.98042 9.23421 0.141 12.39341 H ? A ? 9 HD2 1
   ATOM 212 HD3 A LYS A 10 ? 36.65670 -15.00132 10.80582 0.141 12.39341 H ? A ? 9 HD3 1
   ATOM 213 HE2 A LYS A 10 ? 38.28700 -16.65328 11.03008 0.141 14.16864 H ? A ? 9 HE2 1
   ATOM 214 HE3 A LYS A 10 ? 38.51783 -16.64178 9.45782 0.141 14.16864 H ? A ? 9 HE3 1
   ATOM 215 HZ1 A LYS A 10 ? 40.09927 -15.37659 10.50244 0.141 19.02290 H ? A ? 9 HZ1 1
   ATOM 216 HZ2 A LYS A 10 ? 39.30297 -14.50822 9.65972 0.141 19.02290 H ? A ? 9 HZ2 1
   ATOM 217 HZ3 A LYS A 10 ? 39.09248 -14.51863 11.09287 0.141 19.02290 H ? A ? 9 HZ3 1
   ATOM 218 N B LYS A 10 ? 33.42053 -17.28651 7.58601 0.495 6.83798 N ? A ? 9 N 1
   ATOM 219 CA B LYS A 10 ? 33.33530 -17.13331 9.04321 0.495 7.67972 C ? A ? 9 CA 1
   ATOM 220 C B LYS A 10 ? 31.97030 -16.58234 9.46673 0.495 7.31472 C ? A ? 9 C 1
   ATOM 221 O B LYS A 10 ? 31.43152 -16.94236 10.52751 0.495 7.70971 O ? A ? 9 O 1
   ATOM 222 CB B LYS A 10 ? 34.46035 -16.21191 9.54429 0.495 8.40186 C ? A ? 9 CB 1
   ATOM 223 CG B LYS A 10 ? 34.58075 -15.93556 11.07189 0.495 10.79388 C ? A ? 9 CG 1
   ATOM 224 CD B LYS A 10 ? 35.91539 -15.16532 11.39547 0.495 14.97341 C ? A ? 9 CD 1
   ATOM 225 CE B LYS A 10 ? 35.93857 -14.19767 12.61320 0.495 10.20148 C ? A ? 9 CE 1
   ATOM 226 NZ B LYS A 10 ? 37.38864 -14.08346 13.06254 0.495 24.97082 N ? A ? 9 NZ 1
   ATOM 227 H B LYS A 10 ? 34.02572 -16.80630 7.20821 0.495 8.21944 H ? A ? 9 H 1
   ATOM 228 HA B LYS A 10 ? 33.45045 -18.00485 9.45317 0.495 9.22952 H ? A ? 9 HA 1
   ATOM 229 HB2 B LYS A 10 ? 35.30356 -16.60488 9.26955 0.495 10.09609 H ? A ? 9 HB2 1
   ATOM 230 HB3 B LYS A 10 ? 34.34216 -15.34862 9.11806 0.495 10.09609 H ? A ? 9 HB3 1
   ATOM 231 HG2 B LYS A 10 ? 33.83254 -15.39111 11.36285 0.495 12.96652 H ? A ? 9 HG2 1
   ATOM 232 HG3 B LYS A 10 ? 34.58603 -16.77713 11.55420 0.495 12.96652 H ? A ? 9 HG3 1
   ATOM 233 HD2 B LYS A 10 ? 36.60510 -15.82770 11.55811 0.495 17.98195 H ? A ? 9 HD2 1
   ATOM 234 HD3 B LYS A 10 ? 36.14362 -14.63287 10.61745 0.495 17.98195 H ? A ? 9 HD3 1
   ATOM 235 HE2 B LYS A 10 ? 35.60941 -13.32227 12.35586 0.495 12.25563 H ? A ? 9 HE2 1
   ATOM 236 HE3 B LYS A 10 ? 35.40192 -14.55387 13.33848 0.495 12.25563 H ? A ? 9 HE3 1
   ATOM 237 HZ1 B LYS A 10 ? 37.43914 -13.59984 13.80796 0.495 29.97884 H ? A ? 9 HZ1 1
   ATOM 238 HZ2 B LYS A 10 ? 37.72311 -14.89300 13.22025 0.495 29.97884 H ? A ? 9 HZ2 1
   ATOM 239 HZ3 B LYS A 10 ? 37.87349 -13.68903 12.42894 0.495 29.97884 H ? A ? 9 HZ3 1
   ATOM 240 N C LYS A 10 ? 33.51760 -17.17000 7.69417 0.364 7.31537 N ? A ? 9 N 1
   ATOM 241 CA C LYS A 10 ? 33.46586 -16.94155 9.12950 0.364 7.18831 C ? A ? 9 CA 1
   ATOM 242 C C LYS A 10 ? 32.07893 -16.45482 9.52780 0.364 7.30919 C ? A ? 9 C 1
   ATOM 243 O C LYS A 10 ? 31.44856 -16.99773 10.44148 0.364 7.70688 O ? A ? 9 O 1
   ATOM 244 CB C LYS A 10 ? 34.53003 -15.92292 9.52535 0.364 8.61709 C ? A ? 9 CB 1
   ATOM 245 CG C LYS A 10 ? 35.92713 -16.50966 9.45286 0.364 8.43643 C ? A ? 9 CG 1
   ATOM 246 CD C LYS A 10 ? 37.03095 -15.49164 9.52634 0.364 11.12106 C ? A ? 9 CD 1
   ATOM 247 CE C LYS A 10 ? 38.38384 -16.16083 9.37367 0.364 14.87907 C ? A ? 9 CE 1
   ATOM 248 NZ C LYS A 10 ? 39.51395 -15.22540 9.63240 0.364 20.29934 N ? A ? 9 NZ 1
   ATOM 249 H C LYS A 10 ? 34.11387 -16.71284 7.27576 0.364 8.79230 H ? A ? 9 H 1
   ATOM 250 HA C LYS A 10 ? 33.65330 -17.76785 9.60171 0.364 8.63983 H ? A ? 9 HA 1
   ATOM 251 HB2 C LYS A 10 ? 34.48661 -15.16491 8.92166 0.364 10.35436 H ? A ? 9 HB2 1
   ATOM 252 HB3 C LYS A 10 ? 34.36942 -15.63111 10.43636 0.364 10.35436 H ? A ? 9 HB3 1
   ATOM 253 HG2 C LYS A 10 ? 36.04497 -17.12340 10.19470 0.364 10.13757 H ? A ? 9 HG2 1
   ATOM 254 HG3 C LYS A 10 ? 36.02151 -16.98371 8.61187 0.364 10.13757 H ? A ? 9 HG3 1
   ATOM 255 HD2 C LYS A 10 ? 36.92415 -14.84446 8.81174 0.364 13.35913 H ? A ? 9 HD2 1
   ATOM 256 HD3 C LYS A 10 ? 37.00322 -15.04385 10.38635 0.364 13.35913 H ? A ? 9 HD3 1
   ATOM 257 HE2 C LYS A 10 ? 38.44876 -16.89349 10.00604 0.364 17.86874 H ? A ? 9 HE2 1
   ATOM 258 HE3 C LYS A 10 ? 38.47184 -16.49584 8.46762 0.364 17.86874 H ? A ? 9 HE3 1
   ATOM 259 HZ1 C LYS A 10 ? 40.19851 -15.41985 9.09793 0.364 24.37307 H ? A ? 9 HZ1 1
   ATOM 260 HZ2 C LYS A 10 ? 39.25665 -14.38735 9.47891 0.364 24.37307 H ? A ? 9 HZ2 1
   ATOM 261 HZ3 C LYS A 10 ? 39.77946 -15.29558 10.47897 0.364 24.37307 H ? A ? 9 HZ3 1
   ATOM 262 N A TYR A 11 ? 31.44326 -15.61762 8.66201 0.141 6.69173 N ? A ? 10 N 1
   ATOM 263 CA A TYR A 11 ? 30.13439 -15.04883 8.96378 0.141 6.93604 C ? A ? 10 CA 1
   ATOM 264 C A TYR A 11 ? 29.05559 -16.12463 8.95555 0.141 5.93288 C ? A ? 10 C 1
   ATOM 265 O A TYR A 11 ? 28.29985 -16.26952 9.92370 0.141 6.31277 O ? A ? 10 O 1
   ATOM 266 CB A TYR A 11 ? 29.80728 -13.93666 7.96275 0.141 7.02510 C ? A ? 10 CB 1
   ATOM 267 CG A TYR A 11 ? 28.43342 -13.33433 8.13898 0.141 6.47433 C ? A ? 10 CG 1
   ATOM 268 CD1 A TYR A 11 ? 27.31298 -13.95580 7.60950 0.141 6.82926 C ? A ? 10 CD1 1
   ATOM 269 CD2 A TYR A 11 ? 28.25377 -12.14226 8.82696 0.141 6.36344 C ? A ? 10 CD2 1
   ATOM 270 CE1 A TYR A 11 ? 26.05448 -13.42096 7.76515 0.141 5.99867 C ? A ? 10 CE1 1
   ATOM 271 CE2 A TYR A 11 ? 26.99818 -11.59234 8.98541 0.141 5.96673 C ? A ? 10 CE2 1
   ATOM 272 CZ A TYR A 11 ? 25.89662 -12.23889 8.45846 0.141 6.07951 C ? A ? 10 CZ 1
   ATOM 273 OH A TYR A 11 ? 24.62501 -11.72961 8.59587 0.141 5.37817 O ? A ? 10 OH 1
   ATOM 274 H A TYR A 11 ? 31.78939 -15.34717 7.92265 0.141 8.04393 H ? A ? 10 H 1
   ATOM 275 HA A TYR A 11 ? 30.15638 -14.65651 9.85063 0.141 8.33710 H ? A ? 10 HA 1
   ATOM 276 HB2 A TYR A 11 ? 30.45714 -13.22407 8.06668 0.141 8.44398 H ? A ? 10 HB2 1
   ATOM 277 HB3 A TYR A 11 ? 29.85615 -14.30197 7.06550 0.141 8.44398 H ? A ? 10 HB3 1
   ATOM 278 HD1 A TYR A 11 ? 27.41399 -14.75152 7.13884 0.141 8.20897 H ? A ? 10 HD1 1
   ATOM 279 HD2 A TYR A 11 ? 28.99227 -11.70675 9.18729 0.141 7.64999 H ? A ? 10 HD2 1
   ATOM 280 HE1 A TYR A 11 ? 25.31455 -13.85410 7.40489 0.141 7.21227 H ? A ? 10 HE1 1
   ATOM 281 HE2 A TYR A 11 ? 26.89387 -10.79040 9.44467 0.141 7.17394 H ? A ? 10 HE2 1
   ATOM 282 HH A TYR A 11 ? 24.60096 -11.18560 9.23545 0.141 6.46766 H ? A ? 10 HH 1
   ATOM 283 N B TYR A 11 ? 31.40579 -15.68206 8.65487 0.495 6.68781 N ? A ? 10 N 1
   ATOM 284 CA B TYR A 11 ? 30.09340 -15.11528 8.95883 0.495 6.96235 C ? A ? 10 CA 1
   ATOM 285 C B TYR A 11 ? 29.01356 -16.19103 8.90475 0.495 5.91236 C ? A ? 10 C 1
   ATOM 286 O B TYR A 11 ? 28.23724 -16.35557 9.86175 0.495 6.53992 O ? A ? 10 O 1
   ATOM 287 CB B TYR A 11 ? 29.79880 -13.95798 7.99016 0.495 7.01068 C ? A ? 10 CB 1
   ATOM 288 CG B TYR A 11 ? 28.46495 -13.28532 8.15775 0.495 6.38128 C ? A ? 10 CG 1
   ATOM 289 CD1 B TYR A 11 ? 27.30011 -13.90233 7.72229 0.495 6.91934 C ? A ? 10 CD1 1
   ATOM 290 CD2 B TYR A 11 ? 28.35397 -12.02163 8.71443 0.495 6.66179 C ? A ? 10 CD2 1
   ATOM 291 CE1 B TYR A 11 ? 26.05584 -13.30380 7.85922 0.495 6.37023 C ? A ? 10 CE1 1
   ATOM 292 CE2 B TYR A 11 ? 27.12357 -11.40588 8.86156 0.495 5.54262 C ? A ? 10 CE2 1
   ATOM 293 CZ B TYR A 11 ? 25.96520 -12.04063 8.43376 0.495 5.49849 C ? A ? 10 CZ 1
   ATOM 294 OH B TYR A 11 ? 24.71576 -11.47887 8.54785 0.495 6.35907 O ? A ? 10 OH 1
   ATOM 295 H B TYR A 11 ? 31.75997 -15.38662 7.92900 0.495 8.03923 H ? A ? 10 H 1
   ATOM 296 HA B TYR A 11 ? 30.09176 -14.75114 9.85788 0.495 8.36868 H ? A ? 10 HA 1
   ATOM 297 HB2 B TYR A 11 ? 30.48020 -13.27859 8.11272 0.495 8.42667 H ? A ? 10 HB2 1
   ATOM 298 HB3 B TYR A 11 ? 29.83407 -14.30366 7.08454 0.495 8.42667 H ? A ? 10 HB3 1
   ATOM 299 HD1 B TYR A 11 ? 27.35543 -14.74224 7.32683 0.495 8.31707 H ? A ? 10 HD1 1
   ATOM 300 HD2 B TYR A 11 ? 29.12185 -11.57822 8.99489 0.495 8.00801 H ? A ? 10 HD2 1
   ATOM 301 HE1 B TYR A 11 ? 25.28930 -13.74345 7.56936 0.495 7.65813 H ? A ? 10 HE1 1
   ATOM 302 HE2 B TYR A 11 ? 27.07222 -10.56208 9.24920 0.495 6.66501 H ? A ? 10 HE2 1
   ATOM 303 HH B TYR A 11 ? 24.15041 -11.95134 8.14444 0.495 7.64474 H ? A ? 10 HH 1
   ATOM 304 N C TYR A 11 ? 31.56171 -15.47041 8.79246 0.364 6.12179 N ? A ? 10 N 1
   ATOM 305 CA C TYR A 11 ? 30.23614 -14.92687 9.07750 0.364 6.39074 C ? A ? 10 CA 1
   ATOM 306 C C TYR A 11 ? 29.14966 -16.00294 9.05523 0.364 6.15805 C ? A ? 10 C 1
   ATOM 307 O C TYR A 11 ? 28.33681 -16.10092 9.98321 0.364 5.98410 O ? A ? 10 O 1
   ATOM 308 CB C TYR A 11 ? 29.91406 -13.81374 8.07849 0.364 6.98030 C ? A ? 10 CB 1
   ATOM 309 CG C TYR A 11 ? 28.54815 -13.21721 8.28986 0.364 5.50901 C ? A ? 10 CG 1
   ATOM 310 CD1 C TYR A 11 ? 27.40599 -13.85654 7.80962 0.364 6.75085 C ? A ? 10 CD1 1
   ATOM 311 CD2 C TYR A 11 ? 28.38468 -12.02260 8.96005 0.364 6.80425 C ? A ? 10 CD2 1
   ATOM 312 CE1 C TYR A 11 ? 26.13858 -13.31997 8.01105 0.364 6.82549 C ? A ? 10 CE1 1
   ATOM 313 CE2 C TYR A 11 ? 27.14555 -11.47341 9.15787 0.364 6.80117 C ? A ? 10 CE2 1
   ATOM 314 CZ C TYR A 11 ? 26.01128 -12.10672 8.68881 0.364 6.11060 C ? A ? 10 CZ 1
   ATOM 315 OH C TYR A 11 ? 24.77767 -11.54216 8.91218 0.364 6.07344 O ? A ? 10 OH 1
   ATOM 316 H C TYR A 11 ? 31.95718 -15.10058 8.12430 0.364 7.36001 H ? A ? 10 H 1
   ATOM 317 HA C TYR A 11 ? 30.24674 -14.55116 9.97172 0.364 7.68275 H ? A ? 10 HA 1
   ATOM 318 HB2 C TYR A 11 ? 30.56921 -13.10482 8.17396 0.364 8.39022 H ? A ? 10 HB2 1
   ATOM 319 HB3 C TYR A 11 ? 29.94705 -14.17713 7.17974 0.364 8.39022 H ? A ? 10 HB3 1
   ATOM 320 HD1 C TYR A 11 ? 27.49325 -14.65765 7.34539 0.364 8.11487 H ? A ? 10 HD1 1
   ATOM 321 HD2 C TYR A 11 ? 29.13445 -11.57908 9.28566 0.364 8.17895 H ? A ? 10 HD2 1
   ATOM 322 HE1 C TYR A 11 ? 25.38443 -13.76479 7.69755 0.364 8.20445 H ? A ? 10 HE1 1
   ATOM 323 HE2 C TYR A 11 ? 27.06719 -10.66595 9.61260 0.364 8.17526 H ? A ? 10 HE2 1
   ATOM 324 HH C TYR A 11 ? 24.19132 -11.94809 8.46833 0.364 7.30198 H ? A ? 10 HH 1
   ATOM 325 N A ARG A 12 ? 28.96052 -16.88666 7.86190 0.141 6.37561 N ? A ? 11 N 1
   ATOM 326 CA A ARG A 12 ? 27.85419 -17.82992 7.73500 0.141 6.27896 C ? A ? 11 CA 1
   ATOM 327 C A ARG A 12 ? 27.97718 -18.97946 8.72791 0.141 6.20567 C ? A ? 11 C 1
   ATOM 328 O A ARG A 12 ? 26.95718 -19.52146 9.17110 0.141 7.06694 O ? A ? 11 O 1
   ATOM 329 CB A ARG A 12 ? 27.74199 -18.33204 6.29284 0.141 6.25475 C ? A ? 11 CB 1
   ATOM 330 CG A ARG A 12 ? 28.92743 -19.13319 5.79830 0.141 7.11146 C ? A ? 11 CG 1
   ATOM 331 CD A ARG A 12 ? 29.04697 -18.99143 4.28948 0.141 6.36568 C ? A ? 11 CD 1
   ATOM 332 NE A ARG A 12 ? 30.06201 -19.88463 3.75037 0.141 5.74785 N ? A ? 11 NE 1
   ATOM 333 CZ A ARG A 12 ? 30.54136 -19.81191 2.51600 0.141 5.64738 C ? A ? 11 CZ 1
   ATOM 334 NH1 A ARG A 12 ? 30.17389 -18.84724 1.68802 0.141 7.17994 N ? A ? 11 NH1 1
   ATOM 335 NH2 A ARG A 12 ? 31.40107 -20.73762 2.09785 0.141 6.12764 N ? A ? 11 NH2 1
   ATOM 336 H A ARG A 12 ? 29.50878 -16.87542 7.19941 0.141 7.66458 H ? A ? 11 H 1
   ATOM 337 HA A ARG A 12 ? 27.02333 -17.37089 7.93464 0.141 7.54861 H ? A ? 11 HA 1
   ATOM 338 HB2 A ARG A 12 ? 26.95894 -18.90062 6.22613 0.141 7.51956 H ? A ? 11 HB2 1
   ATOM 339 HB3 A ARG A 12 ? 27.64554 -17.56456 5.70754 0.141 7.51956 H ? A ? 11 HB3 1
   ATOM 340 HG2 A ARG A 12 ? 29.74158 -18.80222 6.20881 0.141 8.54761 H ? A ? 11 HG2 1
   ATOM 341 HG3 A ARG A 12 ? 28.80376 -20.07047 6.01535 0.141 8.54761 H ? A ? 11 HG3 1
   ATOM 342 HD2 A ARG A 12 ? 28.19673 -19.21139 3.87764 0.141 7.65268 H ? A ? 11 HD2 1
   ATOM 343 HD3 A ARG A 12 ? 29.29538 -18.07958 4.07102 0.141 7.65268 H ? A ? 11 HD3 1
   ATOM 344 HE A ARG A 12 ? 30.37104 -20.49965 4.26597 0.141 6.91128 H ? A ? 11 HE 1
   ATOM 345 HH11 A ARG A 12 ? 29.61230 -18.24942 1.94654 0.141 8.62979 H ? A ? 11 HH11 1
   ATOM 346 HH12 A ARG A 12 ? 30.49665 -18.81815 0.89142 0.141 8.62979 H ? A ? 11 HH12 1
   ATOM 347 HH21 A ARG A 12 ? 31.63937 -21.37306 2.62608 0.141 7.36703 H ? A ? 11 HH21 1
   ATOM 348 HH22 A ARG A 12 ? 31.71837 -20.70043 1.29939 0.141 7.36703 H ? A ? 11 HH22 1
   ATOM 349 N B ARG A 12 ? 28.93437 -16.92762 7.79118 0.495 6.64234 N ? A ? 11 N 1
   ATOM 350 CA B ARG A 12 ? 27.83488 -17.88204 7.65773 0.495 6.40733 C ? A ? 11 CA 1
   ATOM 351 C B ARG A 12 ? 27.94264 -18.99395 8.68652 0.495 6.28496 C ? A ? 11 C 1
   ATOM 352 O B ARG A 12 ? 26.92241 -19.46713 9.21076 0.495 7.06370 O ? A ? 11 O 1
   ATOM 353 CB B ARG A 12 ? 27.70286 -18.42692 6.22945 0.495 6.23885 C ? A ? 11 CB 1
   ATOM 354 CG B ARG A 12 ? 28.83696 -19.29093 5.70714 0.495 5.12096 C ? A ? 11 CG 1
   ATOM 355 CD B ARG A 12 ? 28.96206 -18.95931 4.23136 0.495 6.37552 C ? A ? 11 CD 1
   ATOM 356 NE B ARG A 12 ? 29.87721 -19.89249 3.59384 0.495 5.81379 N ? A ? 11 NE 1
   ATOM 357 CZ B ARG A 12 ? 30.49691 -19.68923 2.44119 0.495 5.48695 C ? A ? 11 CZ 1
   ATOM 358 NH1 B ARG A 12 ? 30.33619 -18.56359 1.76642 0.495 6.51151 N ? A ? 11 NH1 1
   ATOM 359 NH2 B ARG A 12 ? 31.28531 -20.65297 1.94558 0.495 5.97591 N ? A ? 11 NH2 1
   ATOM 360 H B ARG A 12 ? 29.48116 -16.89418 7.12822 0.495 7.98467 H ? A ? 11 H 1
   ATOM 361 HA B ARG A 12 ? 27.00750 -17.40387 7.82414 0.495 7.70265 H ? A ? 11 HA 1
   ATOM 362 HB2 B ARG A 12 ? 26.89742 -18.96594 6.18928 0.495 7.50048 H ? A ? 11 HB2 1
   ATOM 363 HB3 B ARG A 12 ? 27.62595 -17.67012 5.62759 0.495 7.50048 H ? A ? 11 HB3 1
   ATOM 364 HG2 B ARG A 12 ? 29.66678 -19.07968 6.16285 0.495 6.15901 H ? A ? 11 HG2 1
   ATOM 365 HG3 B ARG A 12 ? 28.62902 -20.23211 5.81592 0.495 6.15901 H ? A ? 11 HG3 1
   ATOM 366 HD2 B ARG A 12 ? 28.09412 -19.03198 3.80440 0.495 7.66448 H ? A ? 11 HD2 1
   ATOM 367 HD3 B ARG A 12 ? 29.30942 -18.05980 4.12588 0.495 7.66448 H ? A ? 11 HD3 1
   ATOM 368 HE B ARG A 12 ? 30.02820 -20.63645 3.99797 0.495 6.99040 H ? A ? 11 HE 1
   ATOM 369 HH11 B ARG A 12 ? 29.82169 -17.94722 2.07461 0.495 7.82767 H ? A ? 11 HH11 1
   ATOM 370 HH12 B ARG A 12 ? 30.74614 -18.44781 1.01933 0.495 7.82767 H ? A ? 11 HH12 1
   ATOM 371 HH21 B ARG A 12 ? 31.38348 -21.39151 2.37515 0.495 7.18495 H ? A ? 11 HH21 1
   ATOM 372 HH22 B ARG A 12 ? 31.69308 -20.53289 1.19798 0.495 7.18495 H ? A ? 11 HH22 1
   ATOM 373 N C ARG A 12 ? 29.10676 -16.81613 7.98988 0.364 5.28951 N ? A ? 11 N 1
   ATOM 374 CA C ARG A 12 ? 28.00969 -17.77464 7.85747 0.364 6.17516 C ? A ? 11 CA 1
   ATOM 375 C C ARG A 12 ? 28.12602 -18.90810 8.87235 0.364 6.30615 C ? A ? 11 C 1
   ATOM 376 O C ARG A 12 ? 27.09531 -19.38218 9.36749 0.364 5.49402 O ? A ? 11 O 1
   ATOM 377 CB C ARG A 12 ? 27.89219 -18.25518 6.40374 0.364 6.60211 C ? A ? 11 CB 1
   ATOM 378 CG C ARG A 12 ? 28.99768 -19.21565 5.95036 0.364 7.85988 C ? A ? 11 CG 1
   ATOM 379 CD C ARG A 12 ? 29.08820 -19.25546 4.41786 0.364 6.19162 C ? A ? 11 CD 1
   ATOM 380 NE C ARG A 12 ? 30.01003 -20.26591 3.90209 0.364 5.33207 N ? A ? 11 NE 1
   ATOM 381 CZ C ARG A 12 ? 30.59912 -20.16117 2.71607 0.364 5.00548 C ? A ? 11 CZ 1
   ATOM 382 NH1 C ARG A 12 ? 30.41979 -19.09252 1.94202 0.364 5.91992 N ? A ? 11 NH1 1
   ATOM 383 NH2 C ARG A 12 ? 31.38966 -21.13897 2.28959 0.364 5.91838 N ? A ? 11 NH2 1
   ATOM 384 H C ARG A 12 ? 29.68331 -16.83011 7.35191 0.364 6.36127 H ? A ? 11 H 1
   ATOM 385 HA C ARG A 12 ? 27.16546 -17.33776 8.05068 0.364 7.42405 H ? A ? 11 HA 1
   ATOM 386 HB2 C ARG A 12 ? 27.04509 -18.71620 6.29989 0.364 7.93638 H ? A ? 11 HB2 1
   ATOM 387 HB3 C ARG A 12 ? 27.92203 -17.48062 5.82059 0.364 7.93638 H ? A ? 11 HB3 1
   ATOM 388 HG2 C ARG A 12 ? 29.85101 -18.91691 6.30176 0.364 9.44572 H ? A ? 11 HG2 1
   ATOM 389 HG3 C ARG A 12 ? 28.80171 -20.10999 6.27076 0.364 9.44572 H ? A ? 11 HG3 1
   ATOM 390 HD2 C ARG A 12 ? 28.20817 -19.44929 4.05888 0.364 7.44381 H ? A ? 11 HD2 1
   ATOM 391 HD3 C ARG A 12 ? 29.39249 -18.39052 4.10134 0.364 7.44381 H ? A ? 11 HD3 1
   ATOM 392 HE C ARG A 12 ? 30.17787 -20.95652 4.38633 0.364 6.41234 H ? A ? 11 HE 1
   ATOM 393 HH11 C ARG A 12 ? 29.91305 -18.45004 2.20666 0.364 7.11776 H ? A ? 11 HH11 1
   ATOM 394 HH12 C ARG A 12 ? 30.81072 -19.04486 1.17749 0.364 7.11776 H ? A ? 11 HH12 1
   ATOM 395 HH21 C ARG A 12 ? 31.51723 -21.83370 2.78017 0.364 7.11592 H ? A ? 11 HH21 1
   ATOM 396 HH22 C ARG A 12 ? 31.77413 -21.07756 1.52277 0.364 7.11592 H ? A ? 11 HH22 1
   ATOM 397 N A GLN A 13 ? 29.20420 -19.36073 9.08966 0.141 6.71085 N ? A ? 12 N 1
   ATOM 398 CA A GLN A 13 ? 29.38344 -20.37462 10.12579 0.141 6.77249 C ? A ? 12 CA 1
   ATOM 399 C A GLN A 13 ? 28.95889 -19.84757 11.49381 0.141 6.61670 C ? A ? 12 C 1
   ATOM 400 O A GLN A 13 ? 28.35804 -20.58223 12.28732 0.141 6.94734 O ? A ? 12 O 1
   ATOM 401 CB A GLN A 13 ? 30.83575 -20.85778 10.14655 0.141 7.46133 C ? A ? 12 CB 1
   ATOM 402 CG A GLN A 13 ? 31.21556 -21.65916 8.90963 0.141 7.46814 C ? A ? 12 CG 1
   ATOM 403 CD A GLN A 13 ? 32.67801 -22.05494 8.86392 0.141 8.60374 C ? A ? 12 CD 1
   ATOM 404 OE1 A GLN A 13 ? 33.46119 -21.71112 9.75264 0.141 6.54646 O ? A ? 12 OE1 1
   ATOM 405 NE2 A GLN A 13 ? 33.04754 -22.81198 7.83419 0.141 5.19975 N ? A ? 12 NE2 1
   ATOM 406 H A GLN A 13 ? 29.93502 -19.05324 8.75656 0.141 8.06688 H ? A ? 12 H 1
   ATOM 407 HA A GLN A 13 ? 28.82417 -21.13934 9.91767 0.141 8.14084 H ? A ? 12 HA 1
   ATOM 408 HB2 A GLN A 13 ? 31.42283 -20.08717 10.19551 0.141 8.96746 H ? A ? 12 HB2 1
   ATOM 409 HB3 A GLN A 13 ? 30.96737 -21.42494 10.92238 0.141 8.96746 H ? A ? 12 HB3 1
   ATOM 410 HG2 A GLN A 13 ? 30.68823 -22.47308 8.89080 0.141 8.97563 H ? A ? 12 HG2 1
   ATOM 411 HG3 A GLN A 13 ? 31.02908 -21.12475 8.12190 0.141 8.97563 H ? A ? 12 HG3 1
   ATOM 412 HE21 A GLN A 13 ? 32.46814 -23.04771 7.24401 0.141 6.25356 H ? A ? 12 HE21 1
   ATOM 413 HE22 A GLN A 13 ? 33.86582 -23.06560 7.75874 0.141 6.25356 H ? A ? 12 HE22 1
   ATOM 414 N B GLN A 13 ? 29.16747 -19.41599 8.99502 0.495 6.89311 N ? A ? 12 N 1
   ATOM 415 CA B GLN A 13 ? 29.35873 -20.42018 10.03762 0.495 6.68994 C ? A ? 12 CA 1
   ATOM 416 C B GLN A 13 ? 28.85969 -19.91443 11.39661 0.495 6.36738 C ? A ? 12 C 1
   ATOM 417 O B GLN A 13 ? 28.18492 -20.63764 12.13407 0.495 5.75672 O ? A ? 12 O 1
   ATOM 418 CB B GLN A 13 ? 30.82965 -20.84936 10.12511 0.495 7.53133 C ? A ? 12 CB 1
   ATOM 419 CG B GLN A 13 ? 31.23807 -21.69626 8.96149 0.495 7.62574 C ? A ? 12 CG 1
   ATOM 420 CD B GLN A 13 ? 32.63465 -22.25735 9.06403 0.495 8.84961 C ? A ? 12 CD 1
   ATOM 421 OE1 B GLN A 13 ? 33.39181 -21.99854 9.99564 0.495 9.70282 O ? A ? 12 OE1 1
   ATOM 422 NE2 B GLN A 13 ? 32.99104 -23.03658 8.05220 0.495 9.05457 N ? A ? 12 NE2 1
   ATOM 423 H B GLN A 13 ? 29.89227 -19.14169 8.62217 0.495 8.28559 H ? A ? 12 H 1
   ATOM 424 HA B GLN A 13 ? 28.84108 -21.20426 9.79645 0.495 8.04179 H ? A ? 12 HA 1
   ATOM 425 HB2 B GLN A 13 ? 31.39172 -20.05890 10.13706 0.495 9.05145 H ? A ? 12 HB2 1
   ATOM 426 HB3 B GLN A 13 ? 30.96341 -21.36385 10.93648 0.495 9.05145 H ? A ? 12 HB3 1
   ATOM 427 HG2 B GLN A 13 ? 30.62519 -22.44490 8.89216 0.495 9.16475 H ? A ? 12 HG2 1
   ATOM 428 HG3 B GLN A 13 ? 31.19641 -21.15769 8.15581 0.495 9.16475 H ? A ? 12 HG3 1
   ATOM 429 HE21 B GLN A 13 ? 32.44003 -23.18470 7.40873 0.495 10.87935 H ? A ? 12 HE21 1
   ATOM 430 HE22 B GLN A 13 ? 33.77320 -23.39387 8.03938 0.495 10.87935 H ? A ? 12 HE22 1
   ATOM 431 N C GLN A 13 ? 29.35357 -19.30597 9.23022 0.364 6.16494 N ? A ? 12 N 1
   ATOM 432 CA C GLN A 13 ? 29.52340 -20.29516 10.29150 0.364 6.79693 C ? A ? 12 CA 1
   ATOM 433 C C GLN A 13 ? 29.06674 -19.72337 11.62493 0.364 6.55255 C ? A ? 12 C 1
   ATOM 434 O C GLN A 13 ? 28.45030 -20.43380 12.43061 0.364 7.24278 O ? A ? 12 O 1
   ATOM 435 CB C GLN A 13 ? 30.96081 -20.81318 10.31050 0.364 7.55216 C ? A ? 12 CB 1
   ATOM 436 CG C GLN A 13 ? 31.29332 -21.55989 9.02750 0.364 6.99810 C ? A ? 12 CG 1
   ATOM 437 CD C GLN A 13 ? 32.72369 -22.00785 8.97518 0.364 8.61522 C ? A ? 12 CD 1
   ATOM 438 OE1 C GLN A 13 ? 33.58033 -21.36181 9.55300 0.364 7.19655 O ? A ? 12 OE1 1
   ATOM 439 NE2 C GLN A 13 ? 32.99418 -23.12066 8.27051 0.364 8.07383 N ? A ? 12 NE2 1
   ATOM 440 H C GLN A 13 ? 30.08637 -19.02303 8.88014 0.364 7.41179 H ? A ? 12 H 1
   ATOM 441 HA C GLN A 13 ? 28.97187 -21.07399 10.11788 0.364 8.17018 H ? A ? 12 HA 1
   ATOM 442 HB2 C GLN A 13 ? 31.57143 -20.06447 10.39698 0.364 9.07644 H ? A ? 12 HB2 1
   ATOM 443 HB3 C GLN A 13 ? 31.07369 -21.42135 11.05769 0.364 9.07644 H ? A ? 12 HB3 1
   ATOM 444 HG2 C GLN A 13 ? 30.72947 -22.34660 8.96378 0.364 8.41157 H ? A ? 12 HG2 1
   ATOM 445 HG3 C GLN A 13 ? 31.13364 -20.97506 8.27028 0.364 8.41157 H ? A ? 12 HG3 1
   ATOM 446 HE21 C GLN A 13 ? 32.35900 -23.54335 7.87367 0.364 9.70245 H ? A ? 12 HE21 1
   ATOM 447 HE22 C GLN A 13 ? 33.80237 -23.40970 8.21666 0.364 9.70245 H ? A ? 12 HE22 1
   ATOM 448 N A SER A 14 ? 29.25888 -18.57796 11.78840 0.141 6.37942 N ? A ? 13 N 1
   ATOM 449 CA A SER A 14 ? 28.79778 -17.98473 13.04061 0.141 6.73464 C ? A ? 13 CA 1
   ATOM 450 C A SER A 14 ? 27.27735 -17.87492 13.07322 0.141 7.17482 C ? A ? 13 C 1
   ATOM 451 O A SER A 14 ? 26.65541 -18.08322 14.12354 0.141 5.90638 O ? A ? 13 O 1
   ATOM 452 CB A SER A 14 ? 29.43683 -16.61129 13.25252 0.141 7.06140 C ? A ? 13 CB 1
   ATOM 453 OG A SER A 14 ? 30.77759 -16.72314 13.71705 0.141 7.18183 O ? A ? 13 OG 1
   ATOM 454 H A SER A 14 ? 29.71909 -18.05079 11.28850 0.141 7.66917 H ? A ? 13 H 1
   ATOM 455 HA A SER A 14 ? 29.07797 -18.55750 13.77159 0.141 8.09543 H ? A ? 13 HA 1
   ATOM 456 HB2 A SER A 14 ? 29.43713 -16.13297 12.40865 0.141 8.48753 H ? A ? 13 HB2 1
   ATOM 457 HB3 A SER A 14 ? 28.91764 -16.12297 13.91047 0.141 8.48753 H ? A ? 13 HB3 1
   ATOM 458 HG A SER A 14 ? 31.31271 -16.52586 13.10035 0.141 8.63205 H ? A ? 13 HG 1
   ATOM 459 N B SER A 14 ? 29.20397 -18.67544 11.74662 0.495 6.42420 N ? A ? 13 N 1
   ATOM 460 CA B SER A 14 ? 28.76583 -18.13267 13.03386 0.495 7.14342 C ? A ? 13 CA 1
   ATOM 461 C B SER A 14 ? 27.24927 -17.94498 13.06525 0.495 7.14113 C ? A ? 13 C 1
   ATOM 462 O B SER A 14 ? 26.60320 -18.17983 14.09801 0.495 5.55400 O ? A ? 13 O 1
   ATOM 463 CB B SER A 14 ? 29.46667 -16.80088 13.33653 0.495 6.89890 C ? A ? 13 CB 1
   ATOM 464 OG B SER A 14 ? 30.72997 -16.92584 14.03345 0.495 8.31146 O ? A ? 13 OG 1
   ATOM 465 H B SER A 14 ? 29.67895 -18.13997 11.26991 0.495 7.72289 H ? A ? 13 H 1
   ATOM 466 HA B SER A 14 ? 29.01777 -18.76297 13.72679 0.495 8.58597 H ? A ? 13 HA 1
   ATOM 467 HB2 B SER A 14 ? 29.63231 -16.35060 12.49349 0.495 8.29254 H ? A ? 13 HB2 1
   ATOM 468 HB3 B SER A 14 ? 28.87209 -16.26713 13.88651 0.495 8.29254 H ? A ? 13 HB3 1
   ATOM 469 HG B SER A 14 ? 31.08762 -17.66341 13.84990 0.495 9.98761 H ? A ? 13 HG 1
   ATOM 470 N C SER A 14 ? 29.33868 -18.43362 11.86123 0.364 5.90576 N ? A ? 13 N 1
   ATOM 471 CA C SER A 14 ? 28.83559 -17.79352 13.06965 0.364 6.03019 C ? A ? 13 CA 1
   ATOM 472 C C SER A 14 ? 27.30836 -17.69847 13.09899 0.364 7.36469 C ? A ? 13 C 1
   ATOM 473 O C SER A 14 ? 26.72173 -17.74613 14.18848 0.364 6.78660 O ? A ? 13 O 1
   ATOM 474 CB C SER A 14 ? 29.47865 -16.42725 13.23533 0.364 7.25751 C ? A ? 13 CB 1
   ATOM 475 OG C SER A 14 ? 30.87715 -16.57836 13.33940 0.364 10.96005 O ? A ? 13 OG 1
   ATOM 476 H C SER A 14 ? 29.80176 -17.92310 11.34690 0.364 7.10077 H ? A ? 13 H 1
   ATOM 477 HA C SER A 14 ? 29.08894 -18.33632 13.83259 0.364 7.25009 H ? A ? 13 HA 1
   ATOM 478 HB2 C SER A 14 ? 29.27100 -15.87821 12.46310 0.364 8.72287 H ? A ? 13 HB2 1
   ATOM 479 HB3 C SER A 14 ? 29.13955 -16.00774 14.04150 0.364 8.72287 H ? A ? 13 HB3 1
   ATOM 480 HG C SER A 14 ? 31.22857 -16.53223 12.57783 0.364 13.16592 H ? A ? 13 HG 1
   ATOM 481 N . ALA A 15 ? 26.66413 -17.52203 11.93860 1.000 6.82204 N ? A ? 14 N 1
   ATOM 482 CA . ALA A 15 ? 25.20496 -17.47016 11.88080 1.000 7.31170 C ? A ? 14 CA 1
   ATOM 483 C . ALA A 15 ? 24.61527 -18.84703 12.14099 1.000 7.03399 C ? A ? 14 C 1
   ATOM 484 O . ALA A 15 ? 23.63096 -18.99196 12.89475 1.000 7.56797 O ? A ? 14 O 1
   ATOM 485 CB . ALA A 15 ? 24.72889 -16.88460 10.54729 1.000 7.59469 C ? A ? 14 CB 1
   ATOM 486 HA . ALA A 15 ? 24.87883 -16.86961 12.56919 1.000 8.78790 H ? A ? 14 HA 1
   ATOM 487 HB1 . ALA A 15 ? 23.76066 -16.82660 10.55556 1.000 9.12749 H ? A ? 14 HB1 1
   ATOM 488 HB2 . ALA A 15 ? 25.11227 -16.00059 10.43574 1.000 9.12749 H ? A ? 14 HB2 1
   ATOM 489 HB3 . ALA A 15 ? 25.01937 -17.46455 9.82606 1.000 9.12749 H ? A ? 14 HB3 1
   ATOM 490 H A ALA A 15 ? 27.06242 -17.31292 11.20564 0.141 8.20030 H ? A ? 14 H 1
   ATOM 491 H B ALA A 15 ? 27.07373 -17.27075 11.22538 0.495 8.20030 H ? A ? 14 H 1
   ATOM 492 H C ALA A 15 ? 27.04925 -17.43037 11.17514 0.364 8.20030 H ? A ? 14 H 1
   ATOM 493 N . GLY A 16 ? 25.20935 -19.87074 11.54826 1.000 7.01193 N ? A ? 15 N 1
   ATOM 494 CA . GLY A 16 ? 24.78283 -21.22038 11.83435 1.000 8.01614 C ? A ? 15 CA 1
   ATOM 495 C . GLY A 16 ? 24.89698 -21.58294 13.31034 1.000 7.63077 C ? A ? 15 C 1
   ATOM 496 O . GLY A 16 ? 23.99045 -22.17902 13.88858 1.000 8.05978 O ? A ? 15 O 1
   ATOM 497 H . GLY A 16 ? 25.85455 -19.80867 10.98305 1.000 8.42817 H ? A ? 15 H 1
   ATOM 498 HA2 . GLY A 16 ? 23.85600 -21.32451 11.56781 1.000 9.63322 H ? A ? 15 HA2 1
   ATOM 499 HA3 . GLY A 16 ? 25.32898 -21.84104 11.32701 1.000 9.63322 H ? A ? 15 HA3 1
   ATOM 500 N . THR A 17 ? 26.01220 -21.21556 13.93395 1.000 7.96766 N ? A ? 16 N 1
   ATOM 501 CA . THR A 17 ? 26.20146 -21.48742 15.35808 1.000 7.68328 C ? A ? 16 CA 1
   ATOM 502 C . THR A 17 ? 25.09314 -20.84261 16.16885 1.000 7.22965 C ? A ? 16 C 1
   ATOM 503 O . THR A 17 ? 24.54793 -21.47334 17.10203 1.000 7.99832 O ? A ? 16 O 1
   ATOM 504 CB . THR A 17 ? 27.57571 -20.93401 15.77423 1.000 8.59150 C ? A ? 16 CB 1
   ATOM 505 OG1 . THR A 17 ? 28.61149 -21.66965 15.09458 1.000 10.33725 O ? A ? 16 OG1 1
   ATOM 506 CG2 . THR A 17 ? 27.82233 -21.05875 17.26873 1.000 10.21975 C ? A ? 16 CG2 1
   ATOM 507 H . THR A 17 ? 26.67187 -20.80991 13.55994 1.000 9.57504 H ? A ? 16 H 1
   ATOM 508 HA . THR A 17 ? 26.18014 -22.44200 15.52898 1.000 9.23379 H ? A ? 16 HA 1
   ATOM 509 HB . THR A 17 ? 27.60055 -19.99248 15.54228 1.000 10.32366 H ? A ? 16 HB 1
   ATOM 510 HG1 . THR A 17 ? 28.43866 -21.71750 14.27395 1.000 12.41856 H ? A ? 16 HG1 1
   ATOM 511 HG21 . THR A 17 ? 28.75082 -20.86234 17.46929 1.000 12.27755 H ? A ? 16 HG21 1
   ATOM 512 HG22 . THR A 17 ? 27.25732 -20.43529 17.75139 1.000 12.27755 H ? A ? 16 HG22 1
   ATOM 513 HG23 . THR A 17 ? 27.62034 -21.96030 17.56419 1.000 12.27755 H ? A ? 16 HG23 1
   ATOM 514 N A LEU A 18 ? 24.77925 -19.58566 15.91832 0.480 7.46380 N ? A ? 17 N 1
   ATOM 515 CA A LEU A 18 ? 23.73386 -18.94933 16.71313 0.480 7.04526 C ? A ? 17 CA 1
   ATOM 516 C A LEU A 18 ? 22.36946 -19.56370 16.41103 0.480 6.23865 C ? A ? 17 C 1
   ATOM 517 O A LEU A 18 ? 21.59552 -19.86060 17.33862 0.480 5.82706 O ? A ? 17 O 1
   ATOM 518 CB A LEU A 18 ? 23.73725 -17.43540 16.47828 0.480 7.79619 C ? A ? 17 CB 1
   ATOM 519 CG A LEU A 18 ? 24.95955 -16.64608 16.97173 0.480 8.69901 C ? A ? 17 CG 1
   ATOM 520 CD1 A LEU A 18 ? 24.61125 -15.15753 17.16727 0.480 11.00473 C ? A ? 17 CD1 1
   ATOM 521 CD2 A LEU A 18 ? 25.56240 -17.24107 18.24285 0.480 7.70999 C ? A ? 17 CD2 1
   ATOM 522 H A LEU A 18 ? 25.14072 -19.09045 15.31524 0.480 8.97041 H ? A ? 17 H 1
   ATOM 523 HA A LEU A 18 ? 23.91772 -19.09310 17.65464 0.480 8.46817 H ? A ? 17 HA 1
   ATOM 524 HB2 A LEU A 18 ? 23.67133 -17.28308 15.52258 0.480 9.36928 H ? A ? 17 HB2 1
   ATOM 525 HB3 A LEU A 18 ? 22.96227 -17.06352 16.92773 0.480 9.36928 H ? A ? 17 HB3 1
   ATOM 526 HG A LEU A 18 ? 25.64425 -16.70790 16.28743 0.480 10.45266 H ? A ? 17 HG 1
   ATOM 527 HD11 A LEU A 18 ? 25.41471 -14.67553 17.41832 0.480 13.21953 H ? A ? 17 HD11 1
   ATOM 528 HD12 A LEU A 18 ? 24.25949 -14.80359 16.33546 0.480 13.21953 H ? A ? 17 HD12 1
   ATOM 529 HD13 A LEU A 18 ? 23.94543 -15.07843 17.86822 0.480 13.21953 H ? A ? 17 HD13 1
   ATOM 530 HD21 A LEU A 18 ? 26.23289 -16.63183 18.58952 0.480 9.26584 H ? A ? 17 HD21 1
   ATOM 531 HD22 A LEU A 18 ? 24.85811 -17.36548 18.89813 0.480 9.26584 H ? A ? 17 HD22 1
   ATOM 532 HD23 A LEU A 18 ? 25.97012 -18.09492 18.02930 0.480 9.26584 H ? A ? 17 HD23 1
   ATOM 533 N B LEU A 18 ? 24.74906 -19.60280 15.85572 0.282 7.52232 N ? A ? 17 N 1
   ATOM 534 CA B LEU A 18 ? 23.72878 -18.91801 16.64335 0.282 7.13973 C ? A ? 17 CA 1
   ATOM 535 C B LEU A 18 ? 22.32741 -19.48494 16.39601 0.282 6.71963 C ? A ? 17 C 1
   ATOM 536 O B LEU A 18 ? 21.50618 -19.46330 17.31991 0.282 7.53846 O ? A ? 17 O 1
   ATOM 537 CB B LEU A 18 ? 23.79621 -17.40210 16.41865 0.282 7.63283 C ? A ? 17 CB 1
   ATOM 538 CG B LEU A 18 ? 25.13380 -16.82392 16.86399 0.282 9.13571 C ? A ? 17 CG 1
   ATOM 539 CD1 B LEU A 18 ? 25.27424 -15.53681 16.08607 0.282 9.53803 C ? A ? 17 CD1 1
   ATOM 540 CD2 B LEU A 18 ? 25.27963 -16.57194 18.34315 0.282 8.30179 C ? A ? 17 CD2 1
   ATOM 541 H B LEU A 18 ? 25.08061 -19.14351 15.20863 0.282 9.04064 H ? A ? 17 H 1
   ATOM 542 HA B LEU A 18 ? 23.91596 -19.05987 17.58449 0.282 8.58154 H ? A ? 17 HA 1
   ATOM 543 HB2 B LEU A 18 ? 23.68196 -17.21439 15.47387 0.282 9.17325 H ? A ? 17 HB2 1
   ATOM 544 HB3 B LEU A 18 ? 23.09263 -16.97237 16.92974 0.282 9.17325 H ? A ? 17 HB3 1
   ATOM 545 HG B LEU A 18 ? 25.83891 -17.46721 16.69110 0.282 10.97671 H ? A ? 17 HG 1
   ATOM 546 HD11 B LEU A 18 ? 26.10753 -15.10694 16.33456 0.282 11.45949 H ? A ? 17 HD11 1
   ATOM 547 HD12 B LEU A 18 ? 25.27675 -15.73977 15.13754 0.282 11.45949 H ? A ? 17 HD12 1
   ATOM 548 HD13 B LEU A 18 ? 24.52654 -14.95643 16.29817 0.282 11.45949 H ? A ? 17 HD13 1
   ATOM 549 HD21 B LEU A 18 ? 26.15283 -16.18521 18.51304 0.282 9.97600 H ? A ? 17 HD21 1
   ATOM 550 HD22 B LEU A 18 ? 24.58483 -15.95838 18.62899 0.282 9.97600 H ? A ? 17 HD22 1
   ATOM 551 HD23 B LEU A 18 ? 25.19288 -17.41387 18.81699 0.282 9.97600 H ? A ? 17 HD23 1
   ATOM 552 N C LEU A 18 ? 24.77283 -19.58557 15.88129 0.238 7.48732 N ? A ? 17 N 1
   ATOM 553 CA C LEU A 18 ? 23.74432 -18.90259 16.66292 0.238 7.17239 C ? A ? 17 CA 1
   ATOM 554 C C LEU A 18 ? 22.35085 -19.47999 16.40038 0.238 6.63097 C ? A ? 17 C 1
   ATOM 555 O C LEU A 18 ? 21.52182 -19.50387 17.31814 0.238 7.29429 O ? A ? 17 O 1
   ATOM 556 CB C LEU A 18 ? 23.78861 -17.38791 16.41307 0.238 7.64213 C ? A ? 17 CB 1
   ATOM 557 CG C LEU A 18 ? 25.06958 -16.68448 16.85971 0.238 8.95872 C ? A ? 17 CG 1
   ATOM 558 CD1 C LEU A 18 ? 24.91023 -15.19054 16.55768 0.238 7.87990 C ? A ? 17 CD1 1
   ATOM 559 CD2 C LEU A 18 ? 25.40393 -16.90389 18.32235 0.238 8.04142 C ? A ? 17 CD2 1
   ATOM 560 H C LEU A 18 ? 25.12602 -19.11476 15.25424 0.238 8.99864 H ? A ? 17 H 1
   ATOM 561 HA C LEU A 18 ? 23.93293 -19.03342 17.60537 0.238 8.62073 H ? A ? 17 HA 1
   ATOM 562 HB2 C LEU A 18 ? 23.69092 -17.23363 15.46041 0.238 9.18441 H ? A ? 17 HB2 1
   ATOM 563 HB3 C LEU A 18 ? 23.05150 -16.97866 16.89273 0.238 9.18441 H ? A ? 17 HB3 1
   ATOM 564 HG C LEU A 18 ? 25.82059 -17.06000 16.37405 0.238 10.76433 H ? A ? 17 HG 1
   ATOM 565 HD11 C LEU A 18 ? 25.72589 -14.72901 16.80787 0.238 9.46974 H ? A ? 17 HD11 1
   ATOM 566 HD12 C LEU A 18 ? 24.74314 -15.07620 15.60905 0.238 9.46974 H ? A ? 17 HD12 1
   ATOM 567 HD13 C LEU A 18 ? 24.16315 -14.84282 17.06941 0.238 9.46974 H ? A ? 17 HD13 1
   ATOM 568 HD21 C LEU A 18 ? 26.16096 -16.34607 18.56037 0.238 9.66356 H ? A ? 17 HD21 1
   ATOM 569 HD22 C LEU A 18 ? 24.63406 -16.66441 18.86166 0.238 9.66356 H ? A ? 17 HD22 1
   ATOM 570 HD23 C LEU A 18 ? 25.62568 -17.83828 18.45889 0.238 9.66356 H ? A ? 17 HD23 1
   ATOM 571 N A MET A 19 ? 22.06906 -19.80581 15.11889 0.480 6.94301 N ? A ? 18 N 1
   ATOM 572 CA A MET A 19 ? 20.83648 -20.51744 14.80275 0.480 7.44800 C ? A ? 18 CA 1
   ATOM 573 C A MET A 19 ? 20.70416 -21.79577 15.62671 0.480 7.01484 C ? A ? 18 C 1
   ATOM 574 O A MET A 19 ? 19.65022 -22.03990 16.21174 0.480 7.46930 O ? A ? 18 O 1
   ATOM 575 CB A MET A 19 ? 20.73296 -20.84864 13.31734 0.480 8.59441 C ? A ? 18 CB 1
   ATOM 576 CG A MET A 19 ? 20.19023 -19.73352 12.50186 0.480 7.39400 C ? A ? 18 CG 1
   ATOM 577 SD A MET A 19 ? 19.45022 -20.33036 10.97512 0.480 7.63303 S ? A ? 18 SD 1
   ATOM 578 CE A MET A 19 ? 20.86268 -21.06182 10.22536 0.480 7.54562 C ? A ? 18 CE 1
   ATOM 579 H A MET A 19 ? 22.54768 -19.57461 14.44282 0.480 8.34547 H ? A ? 18 H 1
   ATOM 580 HA A MET A 19 ? 20.10673 -19.91345 15.01143 0.480 8.95145 H ? A ? 18 HA 1
   ATOM 581 HB2 A MET A 19 ? 21.61789 -21.06018 12.98111 0.480 10.32715 H ? A ? 18 HB2 1
   ATOM 582 HB3 A MET A 19 ? 20.14483 -21.61205 13.20683 0.480 10.32715 H ? A ? 18 HB3 1
   ATOM 583 HG2 A MET A 19 ? 19.50780 -19.26745 13.00975 0.480 8.88666 H ? A ? 18 HG2 1
   ATOM 584 HG3 A MET A 19 ? 20.90909 -19.12334 12.27421 0.480 8.88666 H ? A ? 18 HG3 1
   ATOM 585 HE1 A MET A 19 ? 20.60701 -21.43535 9.36746 0.480 9.06861 H ? A ? 18 HE1 1
   ATOM 586 HE2 A MET A 19 ? 21.54213 -20.38091 10.10041 0.480 9.06861 H ? A ? 18 HE2 1
   ATOM 587 HE3 A MET A 19 ? 21.19988 -21.76327 10.80428 0.480 9.06861 H ? A ? 18 HE3 1
   ATOM 588 N B MET A 19 ? 22.03013 -19.94870 15.16750 0.282 7.12232 N ? A ? 18 N 1
   ATOM 589 CA B MET A 19 ? 20.73457 -20.57547 14.90001 0.282 7.56174 C ? A ? 18 CA 1
   ATOM 590 C B MET A 19 ? 20.64823 -21.92029 15.58897 0.282 7.51075 C ? A ? 18 C 1
   ATOM 591 O B MET A 19 ? 19.58459 -22.33816 16.06496 0.282 6.52355 O ? A ? 18 O 1
   ATOM 592 CB B MET A 19 ? 20.53162 -20.79856 13.39905 0.282 7.49029 C ? A ? 18 CB 1
   ATOM 593 CG B MET A 19 ? 20.39524 -19.54487 12.50913 0.282 6.79721 C ? A ? 18 CG 1
   ATOM 594 SD B MET A 19 ? 19.66321 -19.89563 10.85593 0.282 6.27450 S ? A ? 18 SD 1
   ATOM 595 CE B MET A 19 ? 20.63654 -21.29614 10.33536 0.282 10.68195 C ? A ? 18 CE 1
   ATOM 596 H B MET A 19 ? 22.55511 -19.91086 14.48738 0.282 8.56064 H ? A ? 18 H 1
   ATOM 597 HA B MET A 19 ? 20.04549 -19.97168 15.21861 0.282 9.08795 H ? A ? 18 HA 1
   ATOM 598 HB2 B MET A 19 ? 21.29387 -21.29767 13.06625 0.282 9.00221 H ? A ? 18 HB2 1
   ATOM 599 HB3 B MET A 19 ? 19.71951 -21.31590 13.28183 0.282 9.00221 H ? A ? 18 HB3 1
   ATOM 600 HG2 B MET A 19 ? 19.82249 -18.90310 12.95745 0.282 8.17051 H ? A ? 18 HG2 1
   ATOM 601 HG3 B MET A 19 ? 21.27570 -19.16269 12.36906 0.282 8.17051 H ? A ? 18 HG3 1
   ATOM 602 HE1 B MET A 19 ? 20.52474 -21.42079 9.37992 0.282 12.83220 H ? A ? 18 HE1 1
   ATOM 603 HE2 B MET A 19 ? 21.56935 -21.12595 10.53982 0.282 12.83220 H ? A ? 18 HE2 1
   ATOM 604 HE3 B MET A 19 ? 20.33266 -22.08576 10.80976 0.282 12.83220 H ? A ? 18 HE3 1
   ATOM 605 N C MET A 19 ? 22.07398 -19.91931 15.16313 0.238 7.14725 N ? A ? 18 N 1
   ATOM 606 CA C MET A 19 ? 20.78918 -20.55175 14.86525 0.238 7.53727 C ? A ? 18 CA 1
   ATOM 607 C C MET A 19 ? 20.66630 -21.88770 15.57235 0.238 7.29377 C ? A ? 18 C 1
   ATOM 608 O C MET A 19 ? 19.58898 -22.25607 16.05314 0.238 6.48388 O ? A ? 18 O 1
   ATOM 609 CB C MET A 19 ? 20.64002 -20.76625 13.35850 0.238 7.67618 C ? A ? 18 CB 1
   ATOM 610 CG C MET A 19 ? 20.58562 -19.48393 12.50749 0.238 7.51797 C ? A ? 18 CG 1
   ATOM 611 SD C MET A 19 ? 21.00595 -19.69008 10.73942 0.238 6.65949 S ? A ? 18 SD 1
   ATOM 612 CE C MET A 19 ? 19.82805 -20.94105 10.24381 0.238 6.80431 C ? A ? 18 CE 1
   ATOM 613 H C MET A 19 ? 22.60718 -19.86244 14.49077 0.238 8.59055 H ? A ? 18 H 1
   ATOM 614 HA C MET A 19 ? 20.08450 -19.95486 15.16198 0.238 9.05858 H ? A ? 18 HA 1
   ATOM 615 HB2 C MET A 19 ? 21.39758 -21.28653 13.04817 0.238 9.22528 H ? A ? 18 HB2 1
   ATOM 616 HB3 C MET A 19 ? 19.81605 -21.25290 13.19994 0.238 9.22528 H ? A ? 18 HB3 1
   ATOM 617 HG2 C MET A 19 ? 19.68423 -19.12806 12.54936 0.238 9.03542 H ? A ? 18 HG2 1
   ATOM 618 HG3 C MET A 19 ? 21.21254 -18.84407 12.87958 0.238 9.03542 H ? A ? 18 HG3 1
   ATOM 619 HE1 C MET A 19 ? 19.94061 -21.12370 9.29784 0.238 8.17902 H ? A ? 18 HE1 1
   ATOM 620 HE2 C MET A 19 ? 19.98900 -21.74771 10.75790 0.238 8.17902 H ? A ? 18 HE2 1
   ATOM 621 HE3 C MET A 19 ? 18.93051 -20.61446 10.41314 0.238 8.17902 H ? A ? 18 HE3 1
   ATOM 622 N . ALA A 20 ? 21.74385 -22.65233 15.62452 1.000 7.95081 N ? A ? 19 N 1
   ATOM 623 CA . ALA A 20 ? 21.71546 -23.92170 16.30411 1.000 8.03381 C ? A ? 19 CA 1
   ATOM 624 C . ALA A 20 ? 21.38939 -23.72740 17.78146 1.000 7.10656 C ? A ? 19 C 1
   ATOM 625 O . ALA A 20 ? 20.66000 -24.52454 18.36705 1.000 8.18231 O ? A ? 19 O 1
   ATOM 626 CB . ALA A 20 ? 23.03844 -24.66591 16.11397 1.000 9.41371 C ? A ? 19 CB 1
   ATOM 627 HA . ALA A 20 ? 21.02463 -24.47916 15.91308 1.000 9.65443 H ? A ? 19 HA 1
   ATOM 628 HB1 . ALA A 20 ? 22.97272 -25.53872 16.53206 1.000 11.31031 H ? A ? 19 HB1 1
   ATOM 629 HB2 . ALA A 20 ? 23.21087 -24.76601 15.16468 1.000 11.31031 H ? A ? 19 HB2 1
   ATOM 630 HB3 . ALA A 20 ? 23.75104 -24.15391 16.52742 1.000 11.31031 H ? A ? 19 HB3 1
   ATOM 631 H A ALA A 20 ? 22.48870 -22.50248 15.22162 0.480 9.55483 H ? A ? 19 H 1
   ATOM 632 H B ALA A 20 ? 22.49817 -22.43965 15.27045 0.282 9.55483 H ? A ? 19 H 1
   ATOM 633 H C ALA A 20 ? 22.50325 -22.45492 15.27247 0.238 9.55483 H ? A ? 19 H 1
   ATOM 634 N . SER A 21 ? 21.97145 -22.70403 18.39547 1.000 7.30882 N ? A ? 20 N 1
   ATOM 635 CA . SER A 21 ? 21.67545 -22.46267 19.81094 1.000 7.41680 C ? A ? 20 CA 1
   ATOM 636 C . SER A 21 ? 20.23231 -22.00911 20.02214 1.000 6.85330 C ? A ? 20 C 1
   ATOM 637 O . SER A 21 ? 19.55635 -22.49522 20.94570 1.000 7.66405 O ? A ? 20 O 1
   ATOM 638 CB . SER A 21 ? 22.63817 -21.42644 20.37168 1.000 7.59000 C ? A ? 20 CB 1
   ATOM 639 OG . SER A 21 ? 22.32655 -21.18728 21.72942 1.000 8.21045 O ? A ? 20 OG 1
   ATOM 640 H . SER A 21 ? 22.52213 -22.15177 18.03304 1.000 8.78444 H ? A ? 20 H 1
   ATOM 641 HA . SER A 21 ? 21.79790 -23.29610 20.29186 1.000 8.91402 H ? A ? 20 HA 1
   ATOM 642 HB2 . SER A 21 ? 23.54631 -21.76044 20.30365 1.000 9.12185 H ? A ? 20 HB2 1
   ATOM 643 HB3 . SER A 21 ? 22.55004 -20.60053 19.87068 1.000 9.12185 H ? A ? 20 HB3 1
   ATOM 644 HG . SER A 21 ? 21.81222 -21.78640 22.01598 1.000 9.86640 H ? A ? 20 HG 1
   ATOM 645 N . HIS A 22 ? 19.73597 -21.06430 19.21529 1.000 6.33962 N ? A ? 21 N 1
   ATOM 646 CA . HIS A 22 ? 18.36771 -20.57986 19.40849 1.000 7.27909 C ? A ? 21 CA 1
   ATOM 647 C . HIS A 22 ? 17.31672 -21.60374 19.02191 1.000 7.02045 C ? A ? 21 C 1
   ATOM 648 O . HIS A 22 ? 16.21676 -21.57393 19.58877 1.000 7.96728 O ? A ? 21 O 1
   ATOM 649 CB . HIS A 22 ? 18.18751 -19.21508 18.73772 1.000 7.62036 C ? A ? 21 CB 1
   ATOM 650 CG . HIS A 22 ? 18.83317 -18.12326 19.53530 1.000 7.30572 C ? A ? 21 CG 1
   ATOM 651 ND1 . HIS A 22 ? 18.22343 -17.55495 20.63697 1.000 7.77424 N ? A ? 21 ND1 1
   ATOM 652 CD2 . HIS A 22 ? 20.09433 -17.62668 19.50676 1.000 6.73316 C ? A ? 21 CD2 1
   ATOM 653 CE1 . HIS A 22 ? 19.08416 -16.71772 21.19959 1.000 7.34872 C ? A ? 21 CE1 1
   ATOM 654 NE2 . HIS A 22 ? 20.22161 -16.74316 20.54024 1.000 7.76937 N ? A ? 21 NE2 1
   ATOM 655 H . HIS A 22 ? 20.16107 -20.69660 18.56438 1.000 7.62140 H ? A ? 21 H 1
   ATOM 656 HA . HIS A 22 ? 18.21540 -20.42611 20.35403 1.000 8.74877 H ? A ? 21 HA 1
   ATOM 657 HB2 . HIS A 22 ? 18.59575 -19.23359 17.85801 1.000 9.15828 H ? A ? 21 HB2 1
   ATOM 658 HB3 . HIS A 22 ? 17.24086 -19.01828 18.66009 1.000 9.15828 H ? A ? 21 HB3 1
   ATOM 659 HD1 . HIS A 22 ? 17.42418 -17.71620 20.91049 1.000 9.34295 H ? A ? 21 HD1 1
   ATOM 660 HD2 . HIS A 22 ? 20.75593 -17.84854 18.89198 1.000 8.09365 H ? A ? 21 HD2 1
   ATOM 661 HE1 . HIS A 22 ? 18.90987 -16.19237 21.94694 1.000 8.83232 H ? A ? 21 HE1 1
   ATOM 662 N . PHE A 23 ? 17.59341 -22.46783 18.05686 1.000 7.24486 N ? A ? 22 N 1
   ATOM 663 CA . PHE A 23 ? 16.68124 -23.54488 17.71214 1.000 7.45041 C ? A ? 22 CA 1
   ATOM 664 C . PHE A 23 ? 16.77556 -24.66996 18.74718 1.000 6.80813 C ? A ? 22 C 1
   ATOM 665 O . PHE A 23 ? 15.77850 -25.02649 19.40355 1.000 7.52039 O ? A ? 22 O 1
   ATOM 666 CB . PHE A 23 ? 17.01593 -24.07007 16.29766 1.000 7.69722 C ? A ? 22 CB 1
   ATOM 667 CG . PHE A 23 ? 16.11337 -25.20694 15.86402 1.000 7.48209 C ? A ? 22 CG 1
   ATOM 668 CD1 . PHE A 23 ? 14.79352 -24.97740 15.50578 1.000 9.54015 C ? A ? 22 CD1 1
   ATOM 669 CD2 . PHE A 23 ? 16.56144 -26.48065 15.84743 1.000 9.91094 C ? A ? 22 CD2 1
   ATOM 670 CE1 . PHE A 23 ? 13.95791 -26.03202 15.13090 1.000 9.20818 C ? A ? 22 CE1 1
   ATOM 671 CE2 . PHE A 23 ? 15.73879 -27.53930 15.47324 1.000 12.55698 C ? A ? 22 CE2 1
   ATOM 672 CZ . PHE A 23 ? 14.44045 -27.29167 15.12777 1.000 10.69589 C ? A ? 22 CZ 1
   ATOM 673 H . PHE A 23 ? 18.30993 -22.45248 17.58150 1.000 8.70769 H ? A ? 22 H 1
   ATOM 674 HA . PHE A 23 ? 15.76873 -23.21614 17.69955 1.000 8.95435 H ? A ? 22 HA 1
   ATOM 675 HB2 . PHE A 23 ? 16.91401 -23.34619 15.66008 1.000 9.25052 H ? A ? 22 HB2 1
   ATOM 676 HB3 . PHE A 23 ? 17.93049 -24.39320 16.28934 1.000 9.25052 H ? A ? 22 HB3 1
   ATOM 677 HD1 . PHE A 23 ? 14.46012 -24.10926 15.51527 1.000 11.46204 H ? A ? 22 HD1 1
   ATOM 678 HD2 . PHE A 23 ? 17.44159 -26.65491 16.09210 1.000 11.90699 H ? A ? 22 HD2 1
   ATOM 679 HE1 . PHE A 23 ? 13.07616 -25.86712 14.88549 1.000 11.06367 H ? A ? 22 HE1 1
   ATOM 680 HE2 . PHE A 23 ? 16.07028 -28.40809 15.45854 1.000 15.08224 H ? A ? 22 HE2 1
   ATOM 681 HZ . PHE A 23 ? 13.88447 -27.99768 14.88834 1.000 12.84892 H ? A ? 22 HZ 1
   ATOM 682 N . GLY A 24 ? 17.98645 -25.18574 18.97347 1.000 7.83081 N ? A ? 23 N 1
   ATOM 683 CA . GLY A 24 ? 18.17733 -26.34367 19.82239 1.000 8.67161 C ? A ? 23 CA 1
   ATOM 684 C . GLY A 24 ? 17.83090 -26.10971 21.27882 1.000 8.61758 C ? A ? 23 C 1
   ATOM 685 O . GLY A 24 ? 17.43631 -27.05529 21.95939 1.000 9.80051 O ? A ? 23 O 1
   ATOM 686 H . GLY A 24 ? 18.71649 -24.87582 18.64092 1.000 9.41083 H ? A ? 23 H 1
   ATOM 687 HA2 . GLY A 24 ? 17.62003 -27.06736 19.49588 1.000 10.41979 H ? A ? 23 HA2 1
   ATOM 688 HA3 . GLY A 24 ? 19.10720 -26.61603 19.77711 1.000 10.41979 H ? A ? 23 HA3 1
   ATOM 689 N A ARG A 25 ? 17.93062 -24.86179 21.74804 0.554 8.00717 N ? A ? 24 N 1
   ATOM 690 CA A ARG A 25 ? 17.60114 -24.54900 23.14272 0.554 8.45026 C ? A ? 24 CA 1
   ATOM 691 C A ARG A 25 ? 16.11814 -24.75618 23.44132 0.554 8.91721 C ? A ? 24 C 1
   ATOM 692 O A ARG A 25 ? 15.74198 -24.74841 24.62610 0.554 7.53266 O ? A ? 24 O 1
   ATOM 693 CB A ARG A 25 ? 18.05097 -23.13483 23.57659 0.554 9.40918 C ? A ? 24 CB 1
   ATOM 694 CG A ARG A 25 ? 17.23744 -21.98334 23.01474 0.554 7.65520 C ? A ? 24 CG 1
   ATOM 695 CD A ARG A 25 ? 17.70748 -20.60045 23.50236 0.554 7.58893 C ? A ? 24 CD 1
   ATOM 696 NE A ARG A 25 ? 19.08165 -20.27594 23.14351 0.554 6.49399 N ? A ? 24 NE 1
   ATOM 697 CZ A ARG A 25 ? 19.78175 -19.30669 23.70932 0.554 7.76208 C ? A ? 24 CZ 1
   ATOM 698 NH1 A ARG A 25 ? 19.24349 -18.50682 24.60419 0.554 8.80891 N ? A ? 24 NH1 1
   ATOM 699 NH2 A ARG A 25 ? 21.06751 -19.15660 23.38728 0.554 7.79251 N ? A ? 24 NH2 1
   ATOM 700 H A ARG A 25 ? 18.18447 -24.18410 21.28339 0.554 9.62247 H ? A ? 24 H 1
   ATOM 701 HA A ARG A 25 ? 18.12094 -25.14935 23.69977 0.554 10.15417 H ? A ? 24 HA 1
   ATOM 702 HB2 A ARG A 25 ? 17.99555 -23.08137 24.54352 0.554 11.30487 H ? A ? 24 HB2 1
   ATOM 703 HB3 A ARG A 25 ? 18.96844 -23.00602 23.28924 0.554 11.30487 H ? A ? 24 HB3 1
   ATOM 704 HG2 A ARG A 25 ? 17.30527 -21.99469 22.04718 0.554 9.20010 H ? A ? 24 HG2 1
   ATOM 705 HG3 A ARG A 25 ? 16.31198 -22.09310 23.28375 0.554 9.20010 H ? A ? 24 HG3 1
   ATOM 706 HD2 A ARG A 25 ? 17.13420 -19.92211 23.11236 0.554 9.12057 H ? A ? 24 HD2 1
   ATOM 707 HD3 A ARG A 25 ? 17.64252 -20.57353 24.46981 0.554 9.12057 H ? A ? 24 HD3 1
   ATOM 708 HE A ARG A 25 ? 19.45992 -20.74194 22.52759 0.554 7.80665 H ? A ? 24 HE 1
   ATOM 709 HH11 A ARG A 25 ? 18.42053 -18.60855 24.83219 0.554 10.58454 H ? A ? 24 HH11 1
   ATOM 710 HH12 A ARG A 25 ? 19.71454 -17.88214 24.96124 0.554 10.58454 H ? A ? 24 HH12 1
   ATOM 711 HH21 A ARG A 25 ? 21.43277 -19.68697 22.81728 0.554 9.36487 H ? A ? 24 HH21 1
   ATOM 712 HH22 A ARG A 25 ? 21.53118 -18.52947 23.74965 0.554 9.36487 H ? A ? 24 HH22 1
   ATOM 713 N B ARG A 25 ? 17.93659 -24.90162 21.75935 0.446 7.81919 N ? A ? 24 N 1
   ATOM 714 CA B ARG A 25 ? 17.60566 -24.74446 23.16381 0.446 7.94057 C ? A ? 24 CA 1
   ATOM 715 C B ARG A 25 ? 16.13060 -24.99005 23.43223 0.446 6.44879 C ? A ? 24 C 1
   ATOM 716 O B ARG A 25 ? 15.76413 -25.23170 24.58565 0.446 7.29107 O ? A ? 24 O 1
   ATOM 717 CB B ARG A 25 ? 17.95987 -23.35393 23.62085 0.446 8.90869 C ? A ? 24 CB 1
   ATOM 718 CG B ARG A 25 ? 17.11983 -22.31385 22.95179 0.446 7.04214 C ? A ? 24 CG 1
   ATOM 719 CD B ARG A 25 ? 17.50181 -20.96451 23.43100 0.446 7.64257 C ? A ? 24 CD 1
   ATOM 720 NE B ARG A 25 ? 18.88923 -20.65396 23.11407 0.446 7.24443 N ? A ? 24 NE 1
   ATOM 721 CZ B ARG A 25 ? 19.51869 -19.59295 23.60900 0.446 6.02066 C ? A ? 24 CZ 1
   ATOM 722 NH1 B ARG A 25 ? 18.91355 -18.75808 24.44118 0.446 7.15504 N ? A ? 24 NH1 1
   ATOM 723 NH2 B ARG A 25 ? 20.78488 -19.37828 23.28356 0.446 7.25878 N ? A ? 24 NH2 1
   ATOM 724 H B ARG A 25 ? 18.18036 -24.19727 21.33032 0.446 9.39688 H ? A ? 24 H 1
   ATOM 725 HA B ARG A 25 ? 18.12494 -25.38344 23.67659 0.446 9.54254 H ? A ? 24 HA 1
   ATOM 726 HB2 B ARG A 25 ? 17.81950 -23.28781 24.57836 0.446 10.70429 H ? A ? 24 HB2 1
   ATOM 727 HB3 B ARG A 25 ? 18.88952 -23.17596 23.40877 0.446 10.70429 H ? A ? 24 HB3 1
   ATOM 728 HG2 B ARG A 25 ? 17.25515 -22.35252 21.99206 0.446 8.46442 H ? A ? 24 HG2 1
   ATOM 729 HG3 B ARG A 25 ? 16.18484 -22.46479 23.16135 0.446 8.46442 H ? A ? 24 HG3 1
   ATOM 730 HD2 B ARG A 25 ? 16.93651 -20.30126 23.00505 0.446 9.18494 H ? A ? 24 HD2 1
   ATOM 731 HD3 B ARG A 25 ? 17.39316 -20.92383 24.39404 0.446 9.18494 H ? A ? 24 HD3 1
   ATOM 732 HE B ARG A 25 ? 19.31874 -21.17859 22.58502 0.446 8.70717 H ? A ? 24 HE 1
   ATOM 733 HH11 B ARG A 25 ? 18.09678 -18.89732 24.67161 0.446 8.59990 H ? A ? 24 HH11 1
   ATOM 734 HH12 B ARG A 25 ? 19.33757 -18.07698 24.75088 0.446 8.59990 H ? A ? 24 HH12 1
   ATOM 735 HH21 B ARG A 25 ? 21.19173 -19.92285 22.75676 0.446 8.72440 H ? A ? 24 HH21 1
   ATOM 736 HH22 B ARG A 25 ? 21.19995 -18.69436 23.59911 0.446 8.72440 H ? A ? 24 HH22 1
   ATOM 737 N . MET A 26 ? 15.28053 -24.93565 22.39963 1.000 7.87146 N ? A ? 25 N 1
   ATOM 738 CA . MET A 26 ? 13.85902 -25.20877 22.59943 1.000 8.23629 C ? A ? 25 CA 1
   ATOM 739 C . MET A 26 ? 13.53700 -26.69668 22.64066 1.000 8.67434 C ? A ? 25 C 1
   ATOM 740 O . MET A 26 ? 12.40457 -27.05016 22.97287 1.000 9.00374 O ? A ? 25 O 1
   ATOM 741 CB . MET A 26 ? 13.01123 -24.47158 21.57201 1.000 8.03275 C ? A ? 25 CB 1
   ATOM 742 CG . MET A 26 ? 13.12937 -22.95941 21.62683 1.000 9.14537 C ? A ? 25 CG 1
   ATOM 743 SD . MET A 26 ? 12.03411 -22.09919 20.48384 1.000 8.38973 S ? A ? 25 SD 1
   ATOM 744 CE . MET A 26 ? 12.85446 -22.48720 18.93985 1.000 8.52110 C ? A ? 25 CE 1
   ATOM 745 HA . MET A 26 ? 13.59349 -24.83910 23.45602 1.000 9.89740 H ? A ? 25 HA 1
   ATOM 746 HB2 . MET A 26 ? 13.28459 -24.75484 20.68548 1.000 9.65316 H ? A ? 25 HB2 1
   ATOM 747 HB3 . MET A 26 ? 12.07980 -24.69823 21.72023 1.000 9.65316 H ? A ? 25 HB3 1
   ATOM 748 HG2 . MET A 26 ? 12.91166 -22.66220 22.52415 1.000 10.98830 H ? A ? 25 HG2 1
   ATOM 749 HG3 . MET A 26 ? 14.04048 -22.70987 21.40660 1.000 10.98830 H ? A ? 25 HG3 1
   ATOM 750 HE1 . MET A 26 ? 12.40251 -22.02432 18.21708 1.000 10.23917 H ? A ? 25 HE1 1
   ATOM 751 HE2 . MET A 26 ? 13.77862 -22.19713 18.99166 1.000 10.23917 H ? A ? 25 HE2 1
   ATOM 752 HE3 . MET A 26 ? 12.81621 -23.44541 18.79402 1.000 10.23917 H ? A ? 25 HE3 1
   ATOM 753 H A MET A 26 ? 15.51938 -24.90242 21.57414 0.554 9.45961 H ? A ? 25 H 1
   ATOM 754 H B MET A 26 ? 15.50152 -24.74612 21.59041 0.446 9.45961 H ? A ? 25 H 1
   ATOM 755 N . THR A 27 ? 14.47991 -27.57593 22.31724 1.000 9.06025 N ? A ? 26 N 1
   ATOM 756 CA . THR A 27 ? 14.17907 -28.99935 22.31209 1.000 8.99000 C ? A ? 26 CA 1
   ATOM 757 C . THR A 27 ? 13.57352 -29.46570 23.62357 1.000 8.40514 C ? A ? 26 C 1
   ATOM 758 O . THR A 27 ? 12.59518 -30.20636 23.59096 1.000 9.91532 O ? A ? 26 O 1
   ATOM 759 CB . THR A 27 ? 15.43678 -29.79545 21.95678 1.000 9.00748 C ? A ? 26 CB 1
   ATOM 760 OG1 . THR A 27 ? 15.88000 -29.39502 20.65249 1.000 10.18841 O ? A ? 26 OG1 1
   ATOM 761 CG2 . THR A 27 ? 15.15212 -31.26938 21.97732 1.000 15.21434 C ? A ? 26 CG2 1
   ATOM 762 H . THR A 27 ? 15.28782 -27.37586 22.10075 1.000 10.88616 H ? A ? 26 H 1
   ATOM 763 HA . THR A 27 ? 13.52987 -29.16639 21.61098 1.000 10.80186 H ? A ? 26 HA 1
   ATOM 764 HB . THR A 27 ? 16.13821 -29.62516 22.60478 1.000 10.82283 H ? A ? 26 HB 1
   ATOM 765 HG1 . THR A 27 ? 16.14535 -28.59826 20.67128 1.000 12.23995 H ? A ? 26 HG1 1
   ATOM 766 HG21 . THR A 27 ? 15.87430 -31.75278 21.54640 1.000 18.27107 H ? A ? 26 HG21 1
   ATOM 767 HG22 . THR A 27 ? 15.06879 -31.57845 22.89298 1.000 18.27107 H ? A ? 26 HG22 1
   ATOM 768 HG23 . THR A 27 ? 14.32457 -31.45404 21.50619 1.000 18.27107 H ? A ? 26 HG23 1
   ATOM 769 N . PRO A 28 ? 14.09632 -29.09470 24.80012 1.000 8.51080 N ? A ? 27 N 1
   ATOM 770 CA . PRO A 28 ? 13.47147 -29.60948 26.03117 1.000 8.34721 C ? A ? 27 CA 1
   ATOM 771 C . PRO A 28 ? 12.06057 -29.10671 26.21747 1.000 8.19653 C ? A ? 27 C 1
   ATOM 772 O . PRO A 28 ? 11.24109 -29.79538 26.85715 1.000 8.92256 O ? A ? 27 O 1
   ATOM 773 CB . PRO A 28 ? 14.41552 -29.12142 27.14477 1.000 10.80624 C ? A ? 27 CB 1
   ATOM 774 CG . PRO A 28 ? 15.71317 -28.88045 26.46594 1.000 11.48555 C ? A ? 27 CG 1
   ATOM 775 CD . PRO A 28 ? 15.33561 -28.36828 25.08625 1.000 9.10107 C ? A ? 27 CD 1
   ATOM 776 HA . PRO A 28 ? 13.47299 -30.57948 26.03310 1.000 10.03050 H ? A ? 27 HA 1
   ATOM 777 HB2 . PRO A 28 ? 14.07060 -28.30342 27.53569 1.000 12.98134 H ? A ? 27 HB2 1
   ATOM 778 HB3 . PRO A 28 ? 14.50218 -29.80470 27.82779 1.000 12.98134 H ? A ? 27 HB3 1
   ATOM 779 HG2 . PRO A 28 ? 16.22568 -28.21776 26.95488 1.000 13.79652 H ? A ? 27 HG2 1
   ATOM 780 HG3 . PRO A 28 ? 16.21459 -29.70852 26.40451 1.000 13.79652 H ? A ? 27 HG3 1
   ATOM 781 HD2 . PRO A 28 ? 15.18137 -27.41074 25.10142 1.000 10.93514 H ? A ? 27 HD2 1
   ATOM 782 HD3 . PRO A 28 ? 16.02241 -28.58343 24.43593 1.000 10.93514 H ? A ? 27 HD3 1
   ATOM 783 N A VAL A 29 ? 11.74401 -27.91142 25.71995 0.397 8.33123 N ? A ? 28 N 1
   ATOM 784 CA A VAL A 29 ? 10.38085 -27.39336 25.80940 0.397 8.33682 C ? A ? 28 CA 1
   ATOM 785 C A VAL A 29 ? 9.43628 -28.21193 24.92954 0.397 8.26435 C ? A ? 28 C 1
   ATOM 786 O A VAL A 29 ? 8.41164 -28.71381 25.39352 0.397 7.45062 O ? A ? 28 O 1
   ATOM 787 CB A VAL A 29 ? 10.34548 -25.89868 25.44723 0.397 8.20376 C ? A ? 28 CB 1
   ATOM 788 CG1 A VAL A 29 ? 8.90504 -25.37354 25.43203 0.397 9.03385 C ? A ? 28 CG1 1
   ATOM 789 CG2 A VAL A 29 ? 11.19527 -25.08080 26.42357 0.397 9.01765 C ? A ? 28 CG2 1
   ATOM 790 H A VAL A 29 ? 12.29744 -27.38298 25.32744 0.397 10.01133 H ? A ? 28 H 1
   ATOM 791 HA A VAL A 29 ? 10.08037 -27.48231 26.72739 0.397 10.01804 H ? A ? 28 HA 1
   ATOM 792 HB A VAL A 29 ? 10.71723 -25.79415 24.55741 0.397 9.85837 H ? A ? 28 HB 1
   ATOM 793 HG11 A VAL A 29 ? 8.92254 -24.40373 25.42440 0.397 10.85448 H ? A ? 28 HG11 1
   ATOM 794 HG12 A VAL A 29 ? 8.45733 -25.70256 24.63693 0.397 10.85448 H ? A ? 28 HG12 1
   ATOM 795 HG13 A VAL A 29 ? 8.44521 -25.68984 26.22539 0.397 10.85448 H ? A ? 28 HG13 1
   ATOM 796 HG21 A VAL A 29 ? 11.16415 -24.14683 26.16352 0.397 10.83504 H ? A ? 28 HG21 1
   ATOM 797 HG22 A VAL A 29 ? 10.83767 -25.18694 27.31898 0.397 10.83504 H ? A ? 28 HG22 1
   ATOM 798 HG23 A VAL A 29 ? 12.10982 -25.40256 26.39234 0.397 10.83504 H ? A ? 28 HG23 1
   ATOM 799 N B VAL A 29 ? 11.77035 -27.89646 25.73436 0.465 8.39665 N ? A ? 28 N 1
   ATOM 800 CA B VAL A 29 ? 10.43364 -27.32031 25.85958 0.465 8.33605 C ? A ? 28 CA 1
   ATOM 801 C B VAL A 29 ? 9.44979 -28.04516 24.93717 0.465 8.04415 C ? A ? 28 C 1
   ATOM 802 O B VAL A 29 ? 8.29460 -28.30510 25.31726 0.465 7.78101 O ? A ? 28 O 1
   ATOM 803 CB B VAL A 29 ? 10.47681 -25.79941 25.60521 0.465 9.03560 C ? A ? 28 CB 1
   ATOM 804 CG1 B VAL A 29 ? 9.06795 -25.22550 25.61576 0.465 10.19049 C ? A ? 28 CG1 1
   ATOM 805 CG2 B VAL A 29 ? 11.38095 -25.10953 26.63369 0.465 8.78185 C ? A ? 28 CG2 1
   ATOM 806 H B VAL A 29 ? 12.33212 -27.38731 25.32843 0.465 10.08983 H ? A ? 28 H 1
   ATOM 807 HA B VAL A 29 ? 10.12229 -27.44870 26.76924 0.465 10.01712 H ? A ? 28 HA 1
   ATOM 808 HB B VAL A 29 ? 10.85552 -25.62753 24.72889 0.465 10.85658 H ? A ? 28 HB 1
   ATOM 809 HG11 B VAL A 29 ? 9.12116 -24.25730 25.59039 0.465 12.24245 H ? A ? 28 HG11 1
   ATOM 810 HG12 B VAL A 29 ? 8.58855 -25.55094 24.83784 0.465 12.24245 H ? A ? 28 HG12 1
   ATOM 811 HG13 B VAL A 29 ? 8.61677 -25.51087 26.42564 0.465 12.24245 H ? A ? 28 HG13 1
   ATOM 812 HG21 B VAL A 29 ? 11.36405 -24.15237 26.47733 0.465 10.55208 H ? A ? 28 HG21 1
   ATOM 813 HG22 B VAL A 29 ? 11.05180 -25.30496 27.52496 0.465 10.55208 H ? A ? 28 HG22 1
   ATOM 814 HG23 B VAL A 29 ? 12.28564 -25.44501 26.53424 0.465 10.55208 H ? A ? 28 HG23 1
   ATOM 815 N C VAL A 29 ? 11.73584 -27.92527 25.68768 0.138 8.35088 N ? A ? 28 N 1
   ATOM 816 CA C VAL A 29 ? 10.38082 -27.39580 25.80461 0.138 8.37516 C ? A ? 28 CA 1
   ATOM 817 C C VAL A 29 ? 9.41737 -28.19245 24.93020 0.138 8.24132 C ? A ? 28 C 1
   ATOM 818 O C VAL A 29 ? 8.34093 -28.60229 25.37822 0.138 7.80965 O ? A ? 28 O 1
   ATOM 819 CB C VAL A 29 ? 10.35846 -25.89784 25.45457 0.138 8.25239 C ? A ? 28 CB 1
   ATOM 820 CG1 C VAL A 29 ? 8.92483 -25.37208 25.43263 0.138 9.10505 C ? A ? 28 CG1 1
   ATOM 821 CG2 C VAL A 29 ? 11.20694 -25.09928 26.43893 0.138 8.88208 C ? A ? 28 CG2 1
   ATOM 822 H C VAL A 29 ? 12.27931 -27.41521 25.25864 0.138 10.03491 H ? A ? 28 H 1
   ATOM 823 HA C VAL A 29 ? 10.09228 -27.49177 26.72572 0.138 10.06405 H ? A ? 28 HA 1
   ATOM 824 HB C VAL A 29 ? 10.73719 -25.78203 24.56911 0.138 9.91672 H ? A ? 28 HB 1
   ATOM 825 HG11 C VAL A 29 ? 8.94395 -24.40230 25.44087 0.138 10.93991 H ? A ? 28 HG11 1
   ATOM 826 HG12 C VAL A 29 ? 8.48510 -25.68742 24.62758 0.138 10.93991 H ? A ? 28 HG12 1
   ATOM 827 HG13 C VAL A 29 ? 8.45605 -25.70034 26.21582 0.138 10.93991 H ? A ? 28 HG13 1
   ATOM 828 HG21 C VAL A 29 ? 11.16312 -24.15930 26.20350 0.138 10.67235 H ? A ? 28 HG21 1
   ATOM 829 HG22 C VAL A 29 ? 10.86027 -25.23234 27.33504 0.138 10.67235 H ? A ? 28 HG22 1
   ATOM 830 HG23 C VAL A 29 ? 12.12444 -25.41019 26.38966 0.138 10.67235 H ? A ? 28 HG23 1
   ATOM 831 N A VAL A 30 ? 9.75457 -28.36155 23.64090 0.397 8.72226 N ? A ? 29 N 1
   ATOM 832 CA A VAL A 30 ? 8.85161 -29.10967 22.77083 0.397 9.47219 C ? A ? 29 CA 1
   ATOM 833 C A VAL A 30 ? 8.71099 -30.57607 23.20148 0.397 11.16115 C ? A ? 29 C 1
   ATOM 834 O A VAL A 30 ? 7.68724 -31.20067 22.90233 0.397 11.09293 O ? A ? 29 O 1
   ATOM 835 CB A VAL A 30 ? 9.21017 -28.91733 21.28412 0.397 10.40305 C ? A ? 29 CB 1
   ATOM 836 CG1 A VAL A 30 ? 8.93671 -27.45140 20.84089 0.397 8.82799 C ? A ? 29 CG1 1
   ATOM 837 CG2 A VAL A 30 ? 10.63913 -29.28612 21.04126 0.397 12.98054 C ? A ? 29 CG2 1
   ATOM 838 H A VAL A 30 ? 10.46130 -28.05057 23.26220 0.397 10.48057 H ? A ? 29 H 1
   ATOM 839 HA A VAL A 30 ? 7.96284 -28.73172 22.86111 0.397 11.38048 H ? A ? 29 HA 1
   ATOM 840 HB A VAL A 30 ? 8.65151 -29.50123 20.74759 0.397 12.49752 H ? A ? 29 HB 1
   ATOM 841 HG11 A VAL A 30 ? 9.19209 -27.34990 19.91063 0.397 10.60745 H ? A ? 29 HG11 1
   ATOM 842 HG12 A VAL A 30 ? 7.99166 -27.26041 20.94720 0.397 10.60745 H ? A ? 29 HG12 1
   ATOM 843 HG13 A VAL A 30 ? 9.45986 -26.85116 21.39490 0.397 10.60745 H ? A ? 29 HG13 1
   ATOM 844 HG21 A VAL A 30 ? 10.81951 -29.24099 20.08925 0.397 15.59050 H ? A ? 29 HG21 1
   ATOM 845 HG22 A VAL A 30 ? 11.21117 -28.66315 21.51621 0.397 15.59050 H ? A ? 29 HG22 1
   ATOM 846 HG23 A VAL A 30 ? 10.79188 -30.18784 21.36448 0.397 15.59050 H ? A ? 29 HG23 1
   ATOM 847 N B VAL A 30 ? 9.89501 -28.37412 23.71325 0.465 8.46651 N ? A ? 29 N 1
   ATOM 848 CA B VAL A 30 ? 9.04624 -29.09706 22.77022 0.465 9.53818 C ? A ? 29 CA 1
   ATOM 849 C B VAL A 30 ? 8.73158 -30.48663 23.30006 0.465 11.24332 C ? A ? 29 C 1
   ATOM 850 O B VAL A 30 ? 7.62038 -30.98739 23.13794 0.465 12.42902 O ? A ? 29 O 1
   ATOM 851 CB B VAL A 30 ? 9.75299 -29.18670 21.40675 0.465 10.26392 C ? A ? 29 CB 1
   ATOM 852 CG1 B VAL A 30 ? 9.16436 -30.29989 20.53533 0.465 10.70457 C ? A ? 29 CG1 1
   ATOM 853 CG2 B VAL A 30 ? 9.61488 -27.89628 20.67625 0.465 10.41635 C ? A ? 29 CG2 1
   ATOM 854 H B VAL A 30 ? 10.67906 -28.18938 23.41204 0.465 10.17368 H ? A ? 29 H 1
   ATOM 855 HA B VAL A 30 ? 8.21291 -28.61166 22.66611 0.465 11.45967 H ? A ? 29 HA 1
   ATOM 856 HB B VAL A 30 ? 10.68804 -29.38394 21.57313 0.465 12.33056 H ? A ? 29 HB 1
   ATOM 857 HG11 B VAL A 30 ? 9.44468 -30.16350 19.61679 0.465 12.85934 H ? A ? 29 HG11 1
   ATOM 858 HG12 B VAL A 30 ? 9.48759 -31.15635 20.85612 0.465 12.85934 H ? A ? 29 HG12 1
   ATOM 859 HG13 B VAL A 30 ? 8.19664 -30.26852 20.59397 0.465 12.85934 H ? A ? 29 HG13 1
   ATOM 860 HG21 B VAL A 30 ? 10.13314 -27.93986 19.85747 0.465 12.51348 H ? A ? 29 HG21 1
   ATOM 861 HG22 B VAL A 30 ? 8.67889 -27.74995 20.46788 0.465 12.51348 H ? A ? 29 HG22 1
   ATOM 862 HG23 B VAL A 30 ? 9.94475 -27.17812 21.23868 0.465 12.51348 H ? A ? 29 HG23 1
   ATOM 863 N C VAL A 30 ? 9.77819 -28.41264 23.66258 0.138 8.62364 N ? A ? 29 N 1
   ATOM 864 CA C VAL A 30 ? 8.87023 -29.12788 22.77214 0.138 9.47886 C ? A ? 29 CA 1
   ATOM 865 C C VAL A 30 ? 8.74441 -30.59733 23.16981 0.138 11.05557 C ? A ? 29 C 1
   ATOM 866 O C VAL A 30 ? 7.75788 -31.24759 22.81091 0.138 11.10152 O ? A ? 29 O 1
   ATOM 867 CB C VAL A 30 ? 9.26232 -28.92546 21.29607 0.138 10.40617 C ? A ? 29 CB 1
   ATOM 868 CG1 C VAL A 30 ? 9.72454 -27.47866 21.05489 0.138 9.30024 C ? A ? 29 CG1 1
   ATOM 869 CG2 C VAL A 30 ? 10.32293 -29.91713 20.89016 0.138 7.72450 C ? A ? 29 CG2 1
   ATOM 870 H C VAL A 30 ? 10.52098 -28.16473 23.30705 0.138 10.36222 H ? A ? 29 H 1
   ATOM 871 HA C VAL A 30 ? 7.98286 -28.74539 22.85681 0.138 11.38849 H ? A ? 29 HA 1
   ATOM 872 HB C VAL A 30 ? 8.48555 -29.08205 20.73660 0.138 12.50126 H ? A ? 29 HB 1
   ATOM 873 HG11 C VAL A 30 ? 9.67836 -27.28653 20.10523 0.138 11.17414 H ? A ? 29 HG11 1
   ATOM 874 HG12 C VAL A 30 ? 9.14238 -26.87561 21.54307 0.138 11.17414 H ? A ? 29 HG12 1
   ATOM 875 HG13 C VAL A 30 ? 10.63764 -27.38254 21.36780 0.138 11.17414 H ? A ? 29 HG13 1
   ATOM 876 HG21 C VAL A 30 ? 10.73330 -29.61982 20.06306 0.138 9.28325 H ? A ? 29 HG21 1
   ATOM 877 HG22 C VAL A 30 ? 10.99145 -29.96916 21.59107 0.138 9.28325 H ? A ? 29 HG22 1
   ATOM 878 HG23 C VAL A 30 ? 9.91052 -30.78558 20.76129 0.138 9.28325 H ? A ? 29 HG23 1
   ATOM 879 N . LYS A 31 ? 9.70485 -31.13558 23.92135 1.000 9.71832 N ? A ? 30 N 1
   ATOM 880 CA . LYS A 31 ? 9.56792 -32.47241 24.48531 1.000 11.73392 C ? A ? 30 CA 1
   ATOM 881 C . LYS A 31 ? 8.86281 -32.49649 25.82973 1.000 10.54511 C ? A ? 30 C 1
   ATOM 882 O . LYS A 31 ? 8.54068 -33.57414 26.32127 1.000 12.04000 O ? A ? 30 O 1
   ATOM 883 CB . LYS A 31 ? 10.95654 -33.10237 24.63919 1.000 12.99492 C ? A ? 30 CB 1
   ATOM 884 CG . LYS A 31 ? 11.64962 -33.40799 23.31984 1.000 14.45501 C ? A ? 30 CG 1
   ATOM 885 CD . LYS A 31 ? 12.95210 -34.14050 23.62846 1.000 20.89587 C ? A ? 30 CD 1
   ATOM 886 CE . LYS A 31 ? 13.68921 -34.70812 22.42736 1.000 30.87575 C ? A ? 30 CE 1
   ATOM 887 NZ . LYS A 31 ? 14.99992 -35.22906 22.89840 1.000 36.72851 N ? A ? 30 NZ 1
   ATOM 888 HA . LYS A 31 ? 9.04281 -33.01306 23.87470 1.000 14.09456 H ? A ? 30 HA 1
   ATOM 889 HB2 . LYS A 31 ? 11.52237 -32.48948 25.13428 1.000 15.60776 H ? A ? 30 HB2 1
   ATOM 890 HB3 . LYS A 31 ? 10.86669 -33.93704 25.12515 1.000 15.60776 H ? A ? 30 HB3 1
   ATOM 891 HG2 . LYS A 31 ? 11.08681 -33.97539 22.77012 1.000 17.35986 H ? A ? 30 HG2 1
   ATOM 892 HG3 . LYS A 31 ? 11.85060 -32.58405 22.84906 1.000 17.35986 H ? A ? 30 HG3 1
   ATOM 893 HD2 . LYS A 31 ? 13.55448 -33.51999 24.06777 1.000 25.08890 H ? A ? 30 HD2 1
   ATOM 894 HD3 . LYS A 31 ? 12.75189 -34.88316 24.21945 1.000 25.08890 H ? A ? 30 HD3 1
   ATOM 895 HE2 . LYS A 31 ? 13.17934 -35.43359 22.03412 1.000 37.06475 H ? A ? 30 HE2 1
   ATOM 896 HE3 . LYS A 31 ? 13.83967 -34.01284 21.76794 1.000 37.06475 H ? A ? 30 HE3 1
   ATOM 897 HZ1 . LYS A 31 ? 15.42369 -35.63614 22.22996 1.000 44.08807 H ? A ? 30 HZ1 1
   ATOM 898 HZ2 . LYS A 31 ? 15.50496 -34.55898 23.19508 1.000 44.08807 H ? A ? 30 HZ2 1
   ATOM 899 HZ3 . LYS A 31 ? 14.87602 -35.81199 23.55942 1.000 44.08807 H ? A ? 30 HZ3 1
   ATOM 900 H A LYS A 31 ? 10.45785 -30.75586 24.08984 0.397 11.67584 H ? A ? 30 H 1
   ATOM 901 H B LYS A 31 ? 10.49238 -30.80958 24.03588 0.465 11.67584 H ? A ? 30 H 1
   ATOM 902 H C LYS A 31 ? 10.44490 -30.74391 24.11758 0.138 11.67584 H ? A ? 30 H 1
   ATOM 903 N . GLY A 32 ? 8.60243 -31.35104 26.42831 1.000 9.88939 N ? A ? 31 N 1
   ATOM 904 CA . GLY A 32 ? 7.93606 -31.29636 27.71864 1.000 10.08924 C ? A ? 31 CA 1
   ATOM 905 C . GLY A 32 ? 8.83077 -31.48395 28.91431 1.000 8.63252 C ? A ? 31 C 1
   ATOM 906 O . GLY A 32 ? 8.32248 -31.49817 30.05772 1.000 8.78557 O ? A ? 31 O 1
   ATOM 907 H . GLY A 32 ? 8.80335 -30.57969 26.10541 1.000 11.88112 H ? A ? 31 H 1
   ATOM 908 HA2 . GLY A 32 ? 7.50507 -30.43187 27.80701 1.000 12.12095 H ? A ? 31 HA2 1
   ATOM 909 HA3 . GLY A 32 ? 7.25944 -31.99085 27.74622 1.000 12.12095 H ? A ? 31 HA3 1
   ATOM 910 N A GLN A 33 ? 10.13783 -31.60859 28.69351 0.244 8.99185 N ? A ? 32 N 1
   ATOM 911 CA A GLN A 33 ? 11.11489 -31.80411 29.75416 0.244 9.06820 C ? A ? 32 CA 1
   ATOM 912 C A GLN A 33 ? 11.52832 -30.50550 30.44569 0.244 7.78492 C ? A ? 32 C 1
   ATOM 913 O A GLN A 33 ? 12.23769 -30.56163 31.45922 0.244 7.25008 O ? A ? 32 O 1
   ATOM 914 CB A GLN A 33 ? 12.37503 -32.48294 29.20492 0.244 11.36770 C ? A ? 32 CB 1
   ATOM 915 CG A GLN A 33 ? 12.12889 -33.80999 28.53120 0.244 16.34701 C ? A ? 32 CG 1
   ATOM 916 CD A GLN A 33 ? 13.40701 -34.49780 28.11858 0.244 23.20378 C ? A ? 32 CD 1
   ATOM 917 OE1 A GLN A 33 ? 14.38669 -34.51402 28.86406 0.244 22.85031 O ? A ? 32 OE1 1
   ATOM 918 NE2 A GLN A 33 ? 13.40676 -35.07017 26.91966 0.244 27.88674 N ? A ? 32 NE2 1
   ATOM 919 H A GLN A 33 ? 10.49341 -31.58216 27.91091 0.244 10.80408 H ? A ? 32 H 1
   ATOM 920 HA A GLN A 33 ? 10.71413 -32.38827 30.41678 0.244 10.89570 H ? A ? 32 HA 1
   ATOM 921 HB2 A GLN A 33 ? 12.78300 -31.89387 28.55111 0.244 13.65510 H ? A ? 32 HB2 1
   ATOM 922 HB3 A GLN A 33 ? 12.98812 -32.63732 29.94058 0.244 13.65510 H ? A ? 32 HB3 1
   ATOM 923 HG2 A GLN A 33 ? 11.65805 -34.39446 29.14570 0.244 19.63027 H ? A ? 32 HG2 1
   ATOM 924 HG3 A GLN A 33 ? 11.59436 -33.66628 27.73463 0.244 19.63027 H ? A ? 32 HG3 1
   ATOM 925 HE21 A GLN A 33 ? 12.70294 -35.03531 26.42668 0.244 33.47794 H ? A ? 32 HE21 1
   ATOM 926 HE22 A GLN A 33 ? 14.11040 -35.47555 26.63655 0.244 33.47794 H ? A ? 32 HE22 1
   ATOM 927 N B GLN A 33 ? 10.12494 -31.64899 28.70221 0.756 8.72684 N ? A ? 32 N 1
   ATOM 928 CA B GLN A 33 ? 11.08504 -31.80080 29.78623 0.756 9.14773 C ? A ? 32 CA 1
   ATOM 929 C B GLN A 33 ? 11.37540 -30.49597 30.52656 0.756 7.48177 C ? A ? 32 C 1
   ATOM 930 O B GLN A 33 ? 11.76159 -30.54255 31.70672 0.756 9.17867 O ? A ? 32 O 1
   ATOM 931 CB B GLN A 33 ? 12.35150 -32.43586 29.22897 0.756 11.12586 C ? A ? 32 CB 1
   ATOM 932 CG B GLN A 33 ? 12.09118 -33.87639 28.76175 0.756 14.90415 C ? A ? 32 CG 1
   ATOM 933 CD B GLN A 33 ? 13.17147 -34.38894 27.84773 0.756 23.42373 C ? A ? 32 CD 1
   ATOM 934 OE1 B GLN A 33 ? 14.09925 -33.66845 27.51445 0.756 24.13648 O ? A ? 32 OE1 1
   ATOM 935 NE2 B GLN A 33 ? 13.03948 -35.64122 27.41851 0.756 34.00167 N ? A ? 32 NE2 1
   ATOM 936 H B GLN A 33 ? 10.48503 -31.67784 27.92176 0.756 10.48607 H ? A ? 32 H 1
   ATOM 937 HA B GLN A 33 ? 10.72505 -32.39794 30.46057 0.756 10.99113 H ? A ? 32 HA 1
   ATOM 938 HB2 B GLN A 33 ? 12.66361 -31.91864 28.47004 0.756 13.36489 H ? A ? 32 HB2 1
   ATOM 939 HB3 B GLN A 33 ? 13.03229 -32.45543 29.91964 0.756 13.36489 H ? A ? 32 HB3 1
   ATOM 940 HG2 B GLN A 33 ? 12.05085 -34.45870 29.53646 0.756 17.89884 H ? A ? 32 HG2 1
   ATOM 941 HG3 B GLN A 33 ? 11.24980 -33.90642 28.27999 0.756 17.89884 H ? A ? 32 HG3 1
   ATOM 942 HE21 B GLN A 33 ? 12.36302 -36.11137 27.66543 0.756 40.81586 H ? A ? 32 HE21 1
   ATOM 943 HE22 B GLN A 33 ? 13.63061 -35.98061 26.89412 0.756 40.81586 H ? A ? 32 HE22 1
   ATOM 944 N . ALA A 34 ? 11.16208 -29.35558 29.88637 1.000 7.92657 N ? A ? 33 N 1
   ATOM 945 CA . ALA A 34 ? 11.24704 -28.03819 30.47793 1.000 8.39361 C ? A ? 33 CA 1
   ATOM 946 C . ALA A 34 ? 9.90132 -27.36221 30.29717 1.000 7.89177 C ? A ? 33 C 1
   ATOM 947 O . ALA A 34 ? 9.14912 -27.68147 29.37157 1.000 8.57510 O ? A ? 33 O 1
   ATOM 948 CB . ALA A 34 ? 12.33204 -27.24425 29.74437 1.000 8.06674 C ? A ? 33 CB 1
   ATOM 949 HA . ALA A 34 ? 11.46049 -28.06304 31.42383 1.000 10.08619 H ? A ? 33 HA 1
   ATOM 950 HB1 . ALA A 34 ? 12.40094 -26.36206 30.14174 1.000 9.69394 H ? A ? 33 HB1 1
   ATOM 951 HB2 . ALA A 34 ? 13.17749 -27.71215 29.82910 1.000 9.69394 H ? A ? 33 HB2 1
   ATOM 952 HB3 . ALA A 34 ? 12.08885 -27.16741 28.80850 1.000 9.69394 H ? A ? 33 HB3 1
   ATOM 953 H A ALA A 34 ? 10.83256 -29.31622 29.09297 0.244 9.52575 H ? A ? 33 H 1
   ATOM 954 H B ALA A 34 ? 10.95294 -29.32046 29.05292 0.756 9.52575 H ? A ? 33 H 1
   ATOM 955 N . PRO A 35 ? 9.55515 -26.42627 31.18291 1.000 8.69788 N ? A ? 34 N 1
   ATOM 956 CA . PRO A 35 ? 8.23484 -25.79879 31.11870 1.000 9.11280 C ? A ? 34 CA 1
   ATOM 957 C . PRO A 35 ? 8.08966 -24.90801 29.89822 1.000 8.17265 C ? A ? 34 C 1
   ATOM 958 O . PRO A 35 ? 9.06253 -24.37014 29.35394 1.000 8.51313 O ? A ? 34 O 1
   ATOM 959 CB . PRO A 35 ? 8.15375 -24.98371 32.42836 1.000 10.41398 C ? A ? 34 CB 1
   ATOM 960 CG . PRO A 35 ? 9.54063 -24.80052 32.84804 1.000 12.74197 C ? A ? 34 CG 1
   ATOM 961 CD . PRO A 35 ? 10.31393 -25.96525 32.35171 1.000 8.73029 C ? A ? 34 CD 1
   ATOM 962 HA . PRO A 35 ? 7.53583 -26.47128 31.11161 1.000 10.94922 H ? A ? 34 HA 1
   ATOM 963 HB2 . PRO A 35 ? 7.72677 -24.12932 32.25924 1.000 12.51063 H ? A ? 34 HB2 1
   ATOM 964 HB3 . PRO A 35 ? 7.65225 -25.47909 33.09468 1.000 12.51063 H ? A ? 34 HB3 1
   ATOM 965 HG2 . PRO A 35 ? 9.88539 -23.97860 32.46529 1.000 15.30422 H ? A ? 34 HG2 1
   ATOM 966 HG3 . PRO A 35 ? 9.57944 -24.75743 33.81630 1.000 15.30422 H ? A ? 34 HG3 1
   ATOM 967 HD2 . PRO A 35 ? 11.20963 -25.69657 32.09395 1.000 10.49020 H ? A ? 34 HD2 1
   ATOM 968 HD3 . PRO A 35 ? 10.35746 -26.66003 33.02720 1.000 10.49020 H ? A ? 34 HD3 1
   ATOM 969 N . TYR A 36 ? 6.84051 -24.70569 29.49357 1.000 9.69239 N ? A ? 35 N 1
   ATOM 970 CA . TYR A 36 ? 6.47693 -23.87962 28.35040 1.000 9.66287 C ? A ? 35 CA 1
   ATOM 971 C . TYR A 36 ? 5.97660 -22.54065 28.86970 1.000 8.68766 C ? A ? 35 C 1
   ATOM 972 O . TYR A 36 ? 4.88395 -22.45276 29.48173 1.000 10.01293 O ? A ? 35 O 1
   ATOM 973 CB . TYR A 36 ? 5.40679 -24.55652 27.48117 1.000 10.57264 C ? A ? 35 CB 1
   ATOM 974 CG . TYR A 36 ? 4.91091 -23.63925 26.36901 1.000 9.11053 C ? A ? 35 CG 1
   ATOM 975 CD1 . TYR A 36 ? 5.80254 -23.00060 25.51521 1.000 9.61891 C ? A ? 35 CD1 1
   ATOM 976 CD2 . TYR A 36 ? 3.55600 -23.40404 26.16852 1.000 11.78489 C ? A ? 35 CD2 1
   ATOM 977 CE1 . TYR A 36 ? 5.36503 -22.16746 24.50176 1.000 9.63674 C ? A ? 35 CE1 1
   ATOM 978 CE2 . TYR A 36 ? 3.10337 -22.54852 25.18800 1.000 11.23749 C ? A ? 35 CE2 1
   ATOM 979 CZ . TYR A 36 ? 4.01814 -21.95240 24.33538 1.000 9.75356 C ? A ? 35 CZ 1
   ATOM 980 OH . TYR A 36 ? 3.52682 -21.12165 23.35413 1.000 11.13177 O ? A ? 35 OH 1
   ATOM 981 H . TYR A 36 ? 6.15665 -25.05223 29.88324 1.000 11.64472 H ? A ? 35 H 1
   ATOM 982 HA . TYR A 36 ? 7.26488 -23.73731 27.80287 1.000 11.60930 H ? A ? 35 HA 1
   ATOM 983 HB2 . TYR A 36 ? 5.78371 -25.35183 27.07334 1.000 12.70103 H ? A ? 35 HB2 1
   ATOM 984 HB3 . TYR A 36 ? 4.64916 -24.79622 28.03745 1.000 12.70103 H ? A ? 35 HB3 1
   ATOM 985 HD1 . TYR A 36 ? 6.71554 -23.13684 25.62818 1.000 11.55654 H ? A ? 35 HD1 1
   ATOM 986 HD2 . TYR A 36 ? 2.93720 -23.83643 26.71167 1.000 14.15572 H ? A ? 35 HD2 1
   ATOM 987 HE1 . TYR A 36 ? 5.97823 -21.75558 23.93674 1.000 11.57795 H ? A ? 35 HE1 1
   ATOM 988 HE2 . TYR A 36 ? 2.19432 -22.37327 25.09955 1.000 13.49885 H ? A ? 35 HE2 1
   ATOM 989 HH . TYR A 36 ? 3.62637 -20.31898 23.58086 1.000 13.37199 H ? A ? 35 HH 1
   ATOM 990 N A ASP A 37 ? 6.72074 -21.49674 28.62072 0.519 9.31803 N ? A ? 36 N 1
   ATOM 991 CA A ASP A 37 ? 6.29421 -20.14563 28.90933 0.519 10.06877 C ? A ? 36 CA 1
   ATOM 992 C A ASP A 37 ? 6.16072 -19.46724 27.56089 0.519 7.77417 C ? A ? 36 C 1
   ATOM 993 O A ASP A 37 ? 7.14990 -19.24382 26.85575 0.519 8.49382 O ? A ? 36 O 1
   ATOM 994 CB A ASP A 37 ? 7.31262 -19.41534 29.76540 0.519 9.74111 C ? A ? 36 CB 1
   ATOM 995 CG A ASP A 37 ? 6.90829 -17.98269 30.01781 0.519 12.80953 C ? A ? 36 CG 1
   ATOM 996 OD1 A ASP A 37 ? 5.93922 -17.79076 30.79417 0.519 13.48008 O ? A ? 36 OD1 1
   ATOM 997 OD2 A ASP A 37 ? 7.52922 -17.07572 29.44549 0.519 9.26421 O ? A ? 36 OD2 1
   ATOM 998 H A ASP A 37 ? 7.50571 -21.54181 28.27230 0.519 11.19550 H ? A ? 36 H 1
   ATOM 999 HA A ASP A 37 ? 5.45006 -20.14684 29.38716 0.519 12.09638 H ? A ? 36 HA 1
   ATOM 1000 HB2 A ASP A 37 ? 7.39148 -19.86434 30.62159 0.519 11.70318 H ? A ? 36 HB2 1
   ATOM 1001 HB3 A ASP A 37 ? 8.16979 -19.41384 29.31137 0.519 11.70318 H ? A ? 36 HB3 1
   ATOM 1002 N B ASP A 37 ? 6.76041 -21.46867 28.63781 0.481 9.44329 N ? A ? 36 N 1
   ATOM 1003 CA B ASP A 37 ? 6.41350 -20.07761 28.93404 0.481 10.13525 C ? A ? 36 CA 1
   ATOM 1004 C B ASP A 37 ? 6.20104 -19.41679 27.56861 0.481 7.68355 C ? A ? 36 C 1
   ATOM 1005 O B ASP A 37 ? 7.14957 -19.26869 26.78738 0.481 8.39672 O ? A ? 36 O 1
   ATOM 1006 CB B ASP A 37 ? 7.53569 -19.39399 29.70749 0.481 11.20333 C ? A ? 36 CB 1
   ATOM 1007 CG B ASP A 37 ? 7.21347 -17.95847 30.05098 0.481 9.13440 C ? A ? 36 CG 1
   ATOM 1008 OD1 B ASP A 37 ? 6.90472 -17.17848 29.14050 0.481 10.55875 O ? A ? 36 OD1 1
   ATOM 1009 OD2 B ASP A 37 ? 7.26404 -17.58233 31.24731 0.481 15.79510 O ? A ? 36 OD2 1
   ATOM 1010 H B ASP A 37 ? 7.54343 -21.53410 28.28823 0.481 11.34581 H ? A ? 36 H 1
   ATOM 1011 HA B ASP A 37 ? 5.60815 -20.01689 29.47129 0.481 12.17616 H ? A ? 36 HA 1
   ATOM 1012 HB2 B ASP A 37 ? 7.68751 -19.87457 30.53628 0.481 13.45785 H ? A ? 36 HB2 1
   ATOM 1013 HB3 B ASP A 37 ? 8.34172 -19.40030 29.16790 0.481 13.45785 H ? A ? 36 HB3 1
   ATOM 1014 N . ALA A 38 ? 4.94358 -19.11415 27.22555 1.000 8.56443 N ? A ? 37 N 1
   ATOM 1015 CA . ALA A 38 ? 4.65679 -18.64085 25.87698 1.000 9.06730 C ? A ? 37 CA 1
   ATOM 1016 C . ALA A 38 ? 5.43796 -17.38329 25.54099 1.000 8.34604 C ? A ? 37 C 1
   ATOM 1017 O . ALA A 38 ? 5.95218 -17.24867 24.41398 1.000 8.49427 O ? A ? 37 O 1
   ATOM 1018 CB . ALA A 38 ? 3.14912 -18.40274 25.70783 1.000 10.19734 C ? A ? 37 CB 1
   ATOM 1019 HA . ALA A 38 ? 4.92583 -19.32960 25.24918 1.000 10.89461 H ? A ? 37 HA 1
   ATOM 1020 HB1 . ALA A 38 ? 2.97845 -18.08675 24.80676 1.000 12.25066 H ? A ? 37 HB1 1
   ATOM 1021 HB2 . ALA A 38 ? 2.67856 -19.23711 25.86044 1.000 12.25066 H ? A ? 37 HB2 1
   ATOM 1022 HB3 . ALA A 38 ? 2.86025 -17.73747 26.35193 1.000 12.25066 H ? A ? 37 HB3 1
   ATOM 1023 H A ALA A 38 ? 4.26238 -19.13538 27.75007 0.519 10.29117 H ? A ? 37 H 1
   ATOM 1024 H B ALA A 38 ? 4.25982 -19.17386 27.74372 0.481 10.29117 H ? A ? 37 H 1
   ATOM 1025 N . ALA A 39 ? 5.54430 -16.45591 26.49116 1.000 8.75051 N ? A ? 38 N 1
   ATOM 1026 CA . ALA A 39 ? 6.28636 -15.22308 26.22017 1.000 8.60901 C ? A ? 38 CA 1
   ATOM 1027 C . ALA A 39 ? 7.76255 -15.47666 25.97528 1.000 8.32253 C ? A ? 38 C 1
   ATOM 1028 O . ALA A 39 ? 8.37282 -14.86585 25.07481 1.000 8.96189 O ? A ? 38 O 1
   ATOM 1029 CB . ALA A 39 ? 6.10724 -14.21852 27.34530 1.000 9.88352 C ? A ? 38 CB 1
   ATOM 1030 H . ALA A 39 ? 5.20638 -16.51227 27.27998 1.000 10.51447 H ? A ? 38 H 1
   ATOM 1031 HA . ALA A 39 ? 5.91327 -14.83821 25.41173 1.000 10.34467 H ? A ? 38 HA 1
   ATOM 1032 HB1 . ALA A 39 ? 6.65934 -13.44145 27.16573 1.000 11.87408 H ? A ? 38 HB1 1
   ATOM 1033 HB2 . ALA A 39 ? 5.17399 -13.95793 27.39039 1.000 11.87408 H ? A ? 38 HB2 1
   ATOM 1034 HB3 . ALA A 39 ? 6.37666 -14.62961 28.18155 1.000 11.87408 H ? A ? 38 HB3 1
   ATOM 1035 N . GLN A 40 ? 8.36779 -16.33965 26.75147 1.000 8.66696 N ? A ? 39 N 1
   ATOM 1036 CA . GLN A 40 ? 9.77665 -16.67385 26.57850 1.000 9.49472 C ? A ? 39 CA 1
   ATOM 1037 C . GLN A 40 ? 10.03103 -17.25006 25.18078 1.000 7.55824 C ? A ? 39 C 1
   ATOM 1038 O . GLN A 40 ? 10.99370 -16.86941 24.47856 1.000 8.52264 O ? A ? 39 O 1
   ATOM 1039 CB . GLN A 40 ? 10.18584 -17.70659 27.64880 1.000 11.18706 C ? A ? 39 CB 1
   ATOM 1040 CG . GLN A 40 ? 11.62368 -18.22375 27.51289 1.000 12.90378 C ? A ? 39 CG 1
   ATOM 1041 CD . GLN A 40 ? 11.92682 -19.38417 28.46580 1.000 13.72321 C ? A ? 39 CD 1
   ATOM 1042 OE1 . GLN A 40 ? 11.04298 -20.18353 28.80215 1.000 15.72405 O ? A ? 39 OE1 1
   ATOM 1043 NE2 . GLN A 40 ? 13.18875 -19.51924 28.88534 1.000 13.25756 N ? A ? 39 NE2 1
   ATOM 1044 H . GLN A 40 ? 7.98894 -16.75885 27.39981 1.000 10.41421 H ? A ? 39 H 1
   ATOM 1045 HA . GLN A 40 ? 10.31165 -15.87188 26.68582 1.000 11.40752 H ? A ? 39 HA 1
   ATOM 1046 HB2 . GLN A 40 ? 10.10344 -17.29502 28.52328 1.000 13.43833 H ? A ? 39 HB2 1
   ATOM 1047 HB3 . GLN A 40 ? 9.59182 -18.47071 27.58446 1.000 13.43833 H ? A ? 39 HB3 1
   ATOM 1048 HG2 . GLN A 40 ? 11.76297 -18.53638 26.60527 1.000 15.49839 H ? A ? 39 HG2 1
   ATOM 1049 HG3 . GLN A 40 ? 12.23980 -17.50187 27.71335 1.000 15.49839 H ? A ? 39 HG3 1
   ATOM 1050 HE21 . GLN A 40 ? 13.79173 -18.96663 28.61957 1.000 15.92293 H ? A ? 39 HE21 1
   ATOM 1051 HE22 . GLN A 40 ? 13.39768 -20.15876 29.42104 1.000 15.92293 H ? A ? 39 HE22 1
   ATOM 1052 N . ILE A 41 ? 9.18136 -18.17875 24.75595 1.000 7.93819 N ? A ? 40 N 1
   ATOM 1053 CA . ILE A 41 ? 9.34153 -18.81232 23.45477 1.000 7.67816 C ? A ? 40 CA 1
   ATOM 1054 C . ILE A 41 ? 9.05132 -17.82464 22.33482 1.000 7.21775 C ? A ? 40 C 1
   ATOM 1055 O . ILE A 41 ? 9.77480 -17.80960 21.33046 1.000 7.76232 O ? A ? 40 O 1
   ATOM 1056 CB . ILE A 41 ? 8.48354 -20.08299 23.37287 1.000 7.81620 C ? A ? 40 CB 1
   ATOM 1057 CG1 . ILE A 41 ? 8.98502 -21.15399 24.32681 1.000 8.19061 C ? A ? 40 CG1 1
   ATOM 1058 CG2 . ILE A 41 ? 8.37826 -20.59252 21.93070 1.000 8.33634 C ? A ? 40 CG2 1
   ATOM 1059 CD1 . ILE A 41 ? 10.40963 -21.66900 23.98761 1.000 9.81036 C ? A ? 40 CD1 1
   ATOM 1060 H . ILE A 41 ? 8.50258 -18.46046 25.20261 1.000 9.53968 H ? A ? 40 H 1
   ATOM 1061 HA . ILE A 41 ? 10.26631 -19.08628 23.35163 1.000 9.22764 H ? A ? 40 HA 1
   ATOM 1062 HB . ILE A 41 ? 7.58620 -19.85057 23.65863 1.000 9.39330 H ? A ? 40 HB 1
   ATOM 1063 HG12 . ILE A 41 ? 9.00777 -20.78731 25.22455 1.000 9.84258 H ? A ? 40 HG12 1
   ATOM 1064 HG13 . ILE A 41 ? 8.37967 -21.91117 24.29296 1.000 9.84258 H ? A ? 40 HG13 1
   ATOM 1065 HG21 . ILE A 41 ? 8.02949 -21.49760 21.94020 1.000 10.01747 H ? A ? 40 HG21 1
   ATOM 1066 HG22 . ILE A 41 ? 7.78006 -20.01273 21.43380 1.000 10.01747 H ? A ? 40 HG22 1
   ATOM 1067 HG23 . ILE A 41 ? 9.26016 -20.58209 21.52691 1.000 10.01747 H ? A ? 40 HG23 1
   ATOM 1068 HD11 . ILE A 41 ? 10.60307 -22.44621 24.53481 1.000 11.78629 H ? A ? 40 HD11 1
   ATOM 1069 HD12 . ILE A 41 ? 10.44333 -21.90905 23.04839 1.000 11.78629 H ? A ? 40 HD12 1
   ATOM 1070 HD13 . ILE A 41 ? 11.05192 -20.96605 24.17261 1.000 11.78629 H ? A ? 40 HD13 1
   ATOM 1071 N A LYS A 42 ? 8.04354 -16.96748 22.50838 0.597 7.81015 N ? A ? 41 N 1
   ATOM 1072 CA A LYS A 42 ? 7.77761 -15.94770 21.49775 0.597 7.33261 C ? A ? 41 CA 1
   ATOM 1073 C A LYS A 42 ? 9.02733 -15.09524 21.25398 0.597 7.47769 C ? A ? 41 C 1
   ATOM 1074 O A LYS A 42 ? 9.43402 -14.85892 20.10064 0.597 7.89820 O ? A ? 41 O 1
   ATOM 1075 CB A LYS A 42 ? 6.57715 -15.10502 21.93529 0.597 8.78565 C ? A ? 41 CB 1
   ATOM 1076 CG A LYS A 42 ? 6.20624 -14.01431 20.95705 0.597 9.34341 C ? A ? 41 CG 1
   ATOM 1077 CD A LYS A 42 ? 5.03424 -13.17327 21.41976 0.597 9.98117 C ? A ? 41 CD 1
   ATOM 1078 CE A LYS A 42 ? 4.81399 -12.00834 20.48682 0.597 13.48816 C ? A ? 41 CE 1
   ATOM 1079 NZ A LYS A 42 ? 3.58500 -11.25652 20.85108 0.597 19.09631 N ? A ? 41 NZ 1
   ATOM 1080 H A LYS A 42 ? 7.51320 -16.95628 23.18529 0.597 9.38604 H ? A ? 41 H 1
   ATOM 1081 HA A LYS A 42 ? 7.54599 -16.36347 20.65254 0.597 8.81299 H ? A ? 41 HA 1
   ATOM 1082 HB2 A LYS A 42 ? 5.80770 -15.68726 22.03458 0.597 10.55663 H ? A ? 41 HB2 1
   ATOM 1083 HB3 A LYS A 42 ? 6.78555 -14.68307 22.78347 0.597 10.55663 H ? A ? 41 HB3 1
   ATOM 1084 HG2 A LYS A 42 ? 6.96755 -13.42499 20.83872 0.597 11.22595 H ? A ? 41 HG2 1
   ATOM 1085 HG3 A LYS A 42 ? 5.96568 -14.41983 20.10935 0.597 11.22595 H ? A ? 41 HG3 1
   ATOM 1086 HD2 A LYS A 42 ? 4.23009 -13.71559 21.43114 0.597 11.99126 H ? A ? 41 HD2 1
   ATOM 1087 HD3 A LYS A 42 ? 5.21371 -12.82735 22.30804 0.597 11.99126 H ? A ? 41 HD3 1
   ATOM 1088 HE2 A LYS A 42 ? 5.57073 -11.40394 20.54106 0.597 16.19965 H ? A ? 41 HE2 1
   ATOM 1089 HE3 A LYS A 42 ? 4.71547 -12.33598 19.57916 0.597 16.19965 H ? A ? 41 HE3 1
   ATOM 1090 HZ1 A LYS A 42 ? 2.93121 -11.44573 20.27761 0.597 22.92943 H ? A ? 41 HZ1 1
   ATOM 1091 HZ2 A LYS A 42 ? 3.32318 -11.48043 21.67170 0.597 22.92943 H ? A ? 41 HZ2 1
   ATOM 1092 HZ3 A LYS A 42 ? 3.74537 -10.38140 20.82776 0.597 22.92943 H ? A ? 41 HZ3 1
   ATOM 1093 N B LYS A 42 ? 8.04684 -16.96275 22.50094 0.403 7.84224 N ? A ? 41 N 1
   ATOM 1094 CA B LYS A 42 ? 7.78127 -15.95919 21.47211 0.403 7.45300 C ? A ? 41 CA 1
   ATOM 1095 C B LYS A 42 ? 9.00195 -15.05992 21.25123 0.403 7.63639 C ? A ? 41 C 1
   ATOM 1096 O B LYS A 42 ? 9.36021 -14.74388 20.10577 0.403 7.70470 O ? A ? 41 O 1
   ATOM 1097 CB B LYS A 42 ? 6.53749 -15.14606 21.83852 0.403 8.59023 C ? A ? 41 CB 1
   ATOM 1098 CG B LYS A 42 ? 6.18847 -14.08300 20.81710 0.403 10.04750 C ? A ? 41 CG 1
   ATOM 1099 CD B LYS A 42 ? 4.93588 -13.29074 21.15511 0.403 10.14020 C ? A ? 41 CD 1
   ATOM 1100 CE B LYS A 42 ? 4.75361 -12.18870 20.11442 0.403 14.62754 C ? A ? 41 CE 1
   ATOM 1101 NZ B LYS A 42 ? 3.56235 -11.33448 20.36905 0.403 17.73673 N ? A ? 41 NZ 1
   ATOM 1102 H B LYS A 42 ? 7.51979 -16.93856 23.18008 0.403 9.42454 H ? A ? 41 H 1
   ATOM 1103 HA B LYS A 42 ? 7.59397 -16.40448 20.63096 0.403 8.95746 H ? A ? 41 HA 1
   ATOM 1104 HB2 B LYS A 42 ? 5.78046 -15.74812 21.91152 0.403 10.32213 H ? A ? 41 HB2 1
   ATOM 1105 HB3 B LYS A 42 ? 6.69222 -14.70317 22.68752 0.403 10.32213 H ? A ? 41 HB3 1
   ATOM 1106 HG2 B LYS A 42 ? 6.92585 -13.45584 20.75510 0.403 12.07086 H ? A ? 41 HG2 1
   ATOM 1107 HG3 B LYS A 42 ? 6.04369 -14.51075 19.95863 0.403 12.07086 H ? A ? 41 HG3 1
   ATOM 1108 HD2 B LYS A 42 ? 4.16051 -13.87331 21.13749 0.403 12.18209 H ? A ? 41 HD2 1
   ATOM 1109 HD3 B LYS A 42 ? 5.02657 -12.88558 22.03176 0.403 12.18209 H ? A ? 41 HD3 1
   ATOM 1110 HE2 B LYS A 42 ? 5.53716 -11.61695 20.12093 0.403 17.56691 H ? A ? 41 HE2 1
   ATOM 1111 HE3 B LYS A 42 ? 4.64713 -12.59567 19.24039 0.403 17.56691 H ? A ? 41 HE3 1
   ATOM 1112 HZ1 B LYS A 42 ? 3.81721 -10.49748 20.53205 0.403 21.29793 H ? A ? 41 HZ1 1
   ATOM 1113 HZ2 B LYS A 42 ? 3.02633 -11.34004 19.65860 0.403 21.29793 H ? A ? 41 HZ2 1
   ATOM 1114 HZ3 B LYS A 42 ? 3.11235 -11.64163 21.07280 0.403 21.29793 H ? A ? 41 HZ3 1
   ATOM 1115 N . ALA A 43 ? 9.64942 -14.64196 22.34263 1.000 7.61814 N ? A ? 42 N 1
   ATOM 1116 CA . ALA A 43 ? 10.85795 -13.82208 22.23587 1.000 7.60553 C ? A ? 42 CA 1
   ATOM 1117 C . ALA A 43 ? 11.99619 -14.58571 21.60939 1.000 7.16586 C ? A ? 42 C 1
   ATOM 1118 O . ALA A 43 ? 12.74109 -14.02373 20.77354 1.000 8.36840 O ? A ? 42 O 1
   ATOM 1119 CB . ALA A 43 ? 11.25503 -13.25784 23.60472 1.000 9.63613 C ? A ? 42 CB 1
   ATOM 1120 HA . ALA A 43 ? 10.66179 -13.06674 21.65977 1.000 9.14050 H ? A ? 42 HA 1
   ATOM 1121 HB1 . ALA A 43 ? 12.05133 -12.71338 23.50294 1.000 11.57721 H ? A ? 42 HB1 1
   ATOM 1122 HB2 . ALA A 43 ? 10.52608 -12.71706 23.94691 1.000 11.57721 H ? A ? 42 HB2 1
   ATOM 1123 HB3 . ALA A 43 ? 11.43308 -13.99435 24.21031 1.000 11.57721 H ? A ? 42 HB3 1
   ATOM 1124 H A ALA A 43 ? 9.39536 -14.79287 23.15027 0.597 9.15563 H ? A ? 42 H 1
   ATOM 1125 H B ALA A 43 ? 9.41194 -14.81766 23.15031 0.403 9.15563 H ? A ? 42 H 1
   ATOM 1126 N A ASN A 44 ? 12.18585 -15.86043 21.98336 0.365 7.28887 N ? A ? 43 N 1
   ATOM 1127 CA A ASN A 44 ? 13.28134 -16.66151 21.43002 0.365 7.67910 C ? A ? 43 CA 1
   ATOM 1128 C A ASN A 44 ? 13.10301 -16.94553 19.93599 0.365 5.01936 C ? A ? 43 C 1
   ATOM 1129 O A ASN A 44 ? 14.09204 -16.99376 19.17814 0.365 5.10215 O ? A ? 43 O 1
   ATOM 1130 CB A ASN A 44 ? 13.46463 -17.99597 22.17506 0.365 6.89943 C ? A ? 43 CB 1
   ATOM 1131 CG A ASN A 44 ? 14.64093 -18.80431 21.62672 0.365 6.42126 C ? A ? 43 CG 1
   ATOM 1132 OD1 A ASN A 44 ? 15.79647 -18.54064 22.00381 0.365 7.05984 O ? A ? 43 OD1 1
   ATOM 1133 ND2 A ASN A 44 ? 14.36909 -19.78389 20.77419 0.365 7.64037 N ? A ? 43 ND2 1
   ATOM 1134 H A ASN A 44 ? 11.69642 -16.28045 22.55225 0.365 8.76050 H ? A ? 43 H 1
   ATOM 1135 HA A ASN A 44 ? 14.08821 -16.13904 21.55997 0.365 9.22878 H ? A ? 43 HA 1
   ATOM 1136 HB2 A ASN A 44 ? 13.63197 -17.81654 23.11352 0.365 8.29317 H ? A ? 43 HB2 1
   ATOM 1137 HB3 A ASN A 44 ? 12.65977 -18.52849 22.07749 0.365 8.29317 H ? A ? 43 HB3 1
   ATOM 1138 HD21 A ASN A 44 ? 15.00724 -20.25828 20.44660 0.365 9.18230 H ? A ? 43 HD21 1
   ATOM 1139 HD22 A ASN A 44 ? 13.55473 -19.94446 20.54918 0.365 9.18230 H ? A ? 43 HD22 1
   ATOM 1140 N B ASN A 44 ? 12.19391 -15.81303 21.99818 0.635 7.22313 N ? A ? 43 N 1
   ATOM 1141 CA B ASN A 44 ? 13.28022 -16.55880 21.42309 0.635 7.83151 C ? A ? 43 CA 1
   ATOM 1142 C B ASN A 44 ? 13.08710 -16.77509 19.91912 0.635 6.75301 C ? A ? 43 C 1
   ATOM 1143 O B ASN A 44 ? 14.04239 -16.64566 19.13758 0.635 7.14984 O ? A ? 43 O 1
   ATOM 1144 CB B ASN A 44 ? 13.45022 -17.88084 22.14146 0.635 7.60765 C ? A ? 43 CB 1
   ATOM 1145 CG B ASN A 44 ? 14.66487 -18.59038 21.63635 0.635 7.78386 C ? A ? 43 CG 1
   ATOM 1146 OD1 B ASN A 44 ? 15.76929 -18.07105 21.75108 0.635 7.34654 O ? A ? 43 OD1 1
   ATOM 1147 ND2 B ASN A 44 ? 14.48472 -19.76634 21.05763 0.635 6.89084 N ? A ? 43 ND2 1
   ATOM 1148 H B ASN A 44 ? 11.72413 -16.23380 22.58287 0.635 8.68161 H ? A ? 43 H 1
   ATOM 1149 HA B ASN A 44 ? 14.09540 -16.04692 21.54296 0.635 9.41167 H ? A ? 43 HA 1
   ATOM 1150 HB2 B ASN A 44 ? 13.55544 -17.72356 23.09282 0.635 9.14303 H ? A ? 43 HB2 1
   ATOM 1151 HB3 B ASN A 44 ? 12.67441 -18.44069 21.98155 0.635 9.14303 H ? A ? 43 HB3 1
   ATOM 1152 HD21 B ASN A 44 ? 15.15991 -20.20439 20.75459 0.635 8.28287 H ? A ? 43 HD21 1
   ATOM 1153 HD22 B ASN A 44 ? 13.69243 -20.09272 20.98447 0.635 8.28287 H ? A ? 43 HD22 1
   ATOM 1154 N . VAL A 45 ? 11.87175 -17.16194 19.51032 1.000 7.22027 N ? A ? 44 N 1
   ATOM 1155 CA . VAL A 45 ? 11.59277 -17.37935 18.09356 1.000 6.80871 C ? A ? 44 CA 1
   ATOM 1156 C . VAL A 45 ? 11.78830 -16.08914 17.30351 1.000 7.76774 C ? A ? 44 C 1
   ATOM 1157 O . VAL A 45 ? 12.25302 -16.14903 16.15228 1.000 7.69432 O ? A ? 44 O 1
   ATOM 1158 CB . VAL A 45 ? 10.23025 -18.06378 17.89914 1.000 7.17179 C ? A ? 44 CB 1
   ATOM 1159 CG1 . VAL A 45 ? 9.88424 -18.13544 16.40936 1.000 8.44844 C ? A ? 44 CG1 1
   ATOM 1160 CG2 . VAL A 45 ? 10.25341 -19.44206 18.52456 1.000 7.75879 C ? A ? 44 CG2 1
   ATOM 1161 HA . VAL A 45 ? 12.23676 -18.00707 17.73005 1.000 8.18431 H ? A ? 44 HA 1
   ATOM 1162 HB . VAL A 45 ? 9.53736 -17.54647 18.33868 1.000 8.62000 H ? A ? 44 HB 1
   ATOM 1163 HG11 . VAL A 45 ? 9.09162 -18.68282 16.29522 1.000 10.15198 H ? A ? 44 HG11 1
   ATOM 1164 HG12 . VAL A 45 ? 9.71687 -17.23836 16.08052 1.000 10.15198 H ? A ? 44 HG12 1
   ATOM 1165 HG13 . VAL A 45 ? 10.63012 -18.52948 15.93052 1.000 10.15198 H ? A ? 44 HG13 1
   ATOM 1166 HG21 . VAL A 45 ? 9.40512 -19.88051 18.35409 1.000 9.32440 H ? A ? 44 HG21 1
   ATOM 1167 HG22 . VAL A 45 ? 10.97611 -19.95543 18.13079 1.000 9.32440 H ? A ? 44 HG22 1
   ATOM 1168 HG23 . VAL A 45 ? 10.39351 -19.35289 19.48024 1.000 9.32440 H ? A ? 44 HG23 1
   ATOM 1169 H A VAL A 45 ? 11.17771 -17.18866 20.01746 0.365 8.67818 H ? A ? 44 H 1
   ATOM 1170 H B VAL A 45 ? 11.20127 -17.30291 20.03011 0.635 8.67818 H ? A ? 44 H 1
   ATOM 1171 N B GLU A 46 ? 11.52078 -14.92247 17.90819 0.476 7.93683 N ? A ? 45 N 1
   ATOM 1172 CA B GLU A 46 ? 11.78563 -13.63729 17.25512 0.476 8.03085 C ? A ? 45 CA 1
   ATOM 1173 C B GLU A 46 ? 13.27936 -13.43321 17.00168 0.476 7.73778 C ? A ? 45 C 1
   ATOM 1174 O B GLU A 46 ? 13.68491 -12.90422 15.95022 0.476 8.07348 O ? A ? 45 O 1
   ATOM 1175 CB B GLU A 46 ? 11.25321 -12.48921 18.10967 0.476 9.40023 C ? A ? 45 CB 1
   ATOM 1176 CG B GLU A 46 ? 9.74734 -12.34106 18.06506 0.476 9.46608 C ? A ? 45 CG 1
   ATOM 1177 CD B GLU A 46 ? 9.20115 -11.45709 19.17103 0.476 16.16222 C ? A ? 45 CD 1
   ATOM 1178 OE1 B GLU A 46 ? 9.97439 -11.05839 20.07245 0.476 19.08839 O ? A ? 45 OE1 1
   ATOM 1179 OE2 B GLU A 46 ? 7.99546 -11.14642 19.12919 0.476 16.08956 O ? A ? 45 OE2 1
   ATOM 1180 H B GLU A 46 ? 11.18560 -14.84900 18.69677 0.476 9.53806 H ? A ? 45 H 1
   ATOM 1181 HA B GLU A 46 ? 11.32280 -13.63280 16.40267 0.476 9.65087 H ? A ? 45 HA 1
   ATOM 1182 HB2 B GLU A 46 ? 11.50807 -12.64373 19.03275 0.476 11.29413 H ? A ? 45 HB2 1
   ATOM 1183 HB3 B GLU A 46 ? 11.64171 -11.65882 17.79279 0.476 11.29413 H ? A ? 45 HB3 1
   ATOM 1184 HG2 B GLU A 46 ? 9.49522 -11.94608 17.21575 0.476 11.37315 H ? A ? 45 HG2 1
   ATOM 1185 HG3 B GLU A 46 ? 9.34225 -13.21767 18.15654 0.476 11.37315 H ? A ? 45 HG3 1
   ATOM 1186 N C GLU A 46 ? 11.48717 -14.93108 17.86859 0.524 7.72023 N ? A ? 45 N 1
   ATOM 1187 CA C GLU A 46 ? 11.84841 -13.69098 17.17996 0.524 8.73025 C ? A ? 45 CA 1
   ATOM 1188 C C GLU A 46 ? 13.36177 -13.63402 16.88724 0.524 7.94505 C ? A ? 45 C 1
   ATOM 1189 O C GLU A 46 ? 13.77826 -13.24122 15.78265 0.524 7.75120 O ? A ? 45 O 1
   ATOM 1190 CB C GLU A 46 ? 11.33144 -12.47936 17.95817 0.524 10.05706 C ? A ? 45 CB 1
   ATOM 1191 CG C GLU A 46 ? 9.86766 -12.09065 17.60828 0.524 17.23996 C ? A ? 45 CG 1
   ATOM 1192 CD C GLU A 46 ? 9.72263 -11.41642 16.25039 0.524 16.29131 C ? A ? 45 CD 1
   ATOM 1193 OE1 C GLU A 46 ? 10.65778 -10.70431 15.85040 0.524 21.18655 O ? A ? 45 OE1 1
   ATOM 1194 OE2 C GLU A 46 ? 8.66877 -11.58760 15.60176 0.524 33.09731 O ? A ? 45 OE2 1
   ATOM 1195 H C GLU A 46 ? 11.08783 -14.83234 18.62382 0.524 9.27814 H ? A ? 45 H 1
   ATOM 1196 HA C GLU A 46 ? 11.40716 -13.65602 16.31684 0.524 10.49015 H ? A ? 45 HA 1
   ATOM 1197 HB2 C GLU A 46 ? 11.36635 -12.67958 18.90664 0.524 12.08233 H ? A ? 45 HB2 1
   ATOM 1198 HB3 C GLU A 46 ? 11.89641 -11.71640 17.75916 0.524 12.08233 H ? A ? 45 HB3 1
   ATOM 1199 HG2 C GLU A 46 ? 9.32435 -12.89417 17.59950 0.524 20.70181 H ? A ? 45 HG2 1
   ATOM 1200 HG3 C GLU A 46 ? 9.53826 -11.47479 18.28142 0.524 20.70181 H ? A ? 45 HG3 1
   ATOM 1201 N B VAL A 47 ? 14.11918 -13.76203 17.98841 0.476 6.63168 N ? A ? 46 N 1
   ATOM 1202 CA B VAL A 47 ? 15.55444 -13.73551 17.73424 0.476 7.12459 C ? A ? 46 CA 1
   ATOM 1203 C B VAL A 47 ? 15.90098 -14.66939 16.57357 0.476 7.41671 C ? A ? 46 C 1
   ATOM 1204 O B VAL A 47 ? 16.62016 -14.28952 15.63930 0.476 7.21762 O ? A ? 46 O 1
   ATOM 1205 CB B VAL A 47 ? 16.33981 -14.07523 19.00741 0.476 7.75238 C ? A ? 46 CB 1
   ATOM 1206 CG1 B VAL A 47 ? 17.78858 -14.13345 18.66483 0.476 7.97483 C ? A ? 46 CG1 1
   ATOM 1207 CG2 B VAL A 47 ? 16.08590 -13.01658 20.06481 0.476 9.64003 C ? A ? 46 CG2 1
   ATOM 1208 H B VAL A 47 ? 13.88838 -13.99501 18.78343 0.476 7.97188 H ? A ? 46 H 1
   ATOM 1209 HA B VAL A 47 ? 15.80688 -12.83569 17.47442 0.476 8.56337 H ? A ? 46 HA 1
   ATOM 1210 HB B VAL A 47 ? 16.05842 -14.93156 19.36575 0.476 9.31671 H ? A ? 46 HB 1
   ATOM 1211 HG11 B VAL A 47 ? 18.30840 -14.09245 19.48276 0.476 9.58366 H ? A ? 46 HG11 1
   ATOM 1212 HG12 B VAL A 47 ? 17.96979 -14.96479 18.19905 0.476 9.58366 H ? A ? 46 HG12 1
   ATOM 1213 HG13 B VAL A 47 ? 18.00883 -13.38013 18.09482 0.476 9.58366 H ? A ? 46 HG13 1
   ATOM 1214 HG21 B VAL A 47 ? 16.48803 -13.30179 20.90019 0.476 11.58190 H ? A ? 46 HG21 1
   ATOM 1215 HG22 B VAL A 47 ? 16.48232 -12.17987 19.77557 0.476 11.58190 H ? A ? 46 HG22 1
   ATOM 1216 HG23 B VAL A 47 ? 15.12884 -12.90722 20.17877 0.476 11.58190 H ? A ? 46 HG23 1
   ATOM 1217 N C VAL A 47 ? 14.21134 -14.04222 17.84664 0.524 7.06579 N ? A ? 46 N 1
   ATOM 1218 CA C VAL A 47 ? 15.65289 -14.03456 17.60081 0.524 6.86094 C ? A ? 46 CA 1
   ATOM 1219 C C VAL A 47 ? 15.99605 -15.02269 16.49027 0.524 5.71411 C ? A ? 46 C 1
   ATOM 1220 O C VAL A 47 ? 16.77121 -14.71918 15.57081 0.524 5.71556 O ? A ? 46 O 1
   ATOM 1221 CB C VAL A 47 ? 16.42853 -14.37389 18.88392 0.524 6.98958 C ? A ? 46 CB 1
   ATOM 1222 CG1 C VAL A 47 ? 17.92149 -14.55936 18.54581 0.524 7.75716 C ? A ? 46 CG1 1
   ATOM 1223 CG2 C VAL A 47 ? 16.23269 -13.33174 19.94962 0.524 7.86679 C ? A ? 46 CG2 1
   ATOM 1224 H C VAL A 47 ? 13.97905 -14.32016 18.62663 0.524 8.49280 H ? A ? 46 H 1
   ATOM 1225 HA C VAL A 47 ? 15.90716 -13.14164 17.31985 0.524 8.24698 H ? A ? 46 HA 1
   ATOM 1226 HB C VAL A 47 ? 16.08426 -15.20360 19.24993 0.524 8.40135 H ? A ? 46 HB 1
   ATOM 1227 HG11 C VAL A 47 ? 18.44269 -14.47221 19.35923 0.524 9.32245 H ? A ? 46 HG11 1
   ATOM 1228 HG12 C VAL A 47 ? 18.05135 -15.44095 18.16261 0.524 9.32245 H ? A ? 46 HG12 1
   ATOM 1229 HG13 C VAL A 47 ? 18.18771 -13.87889 17.90786 0.524 9.32245 H ? A ? 46 HG13 1
   ATOM 1230 HG21 C VAL A 47 ? 16.69140 -13.61468 20.75611 0.524 9.45401 H ? A ? 46 HG21 1
   ATOM 1231 HG22 C VAL A 47 ? 16.59949 -12.48931 19.63870 0.524 9.45401 H ? A ? 46 HG22 1
   ATOM 1232 HG23 C VAL A 47 ? 15.28376 -13.23448 20.12562 0.524 9.45401 H ? A ? 46 HG23 1
   ATOM 1233 N B LEU A 48 ? 15.36706 -15.89727 16.61313 0.476 6.63497 N ? A ? 47 N 1
   ATOM 1234 CA B LEU A 48 ? 15.73550 -16.90272 15.61861 0.476 8.15176 C ? A ? 47 CA 1
   ATOM 1235 C B LEU A 48 ? 15.29049 -16.47331 14.23028 0.476 6.75282 C ? A ? 47 C 1
   ATOM 1236 O B LEU A 48 ? 16.01352 -16.65039 13.25342 0.476 6.84224 O ? A ? 47 O 1
   ATOM 1237 CB B LEU A 48 ? 15.07875 -18.23755 15.99506 0.476 7.45698 C ? A ? 47 CB 1
   ATOM 1238 CG B LEU A 48 ? 15.21339 -19.36592 14.96648 0.476 9.05244 C ? A ? 47 CG 1
   ATOM 1239 CD1 B LEU A 48 ? 16.62852 -19.87212 14.66348 0.476 6.83258 C ? A ? 47 CD1 1
   ATOM 1240 CD2 B LEU A 48 ? 14.32263 -20.54828 15.37819 0.476 9.86833 C ? A ? 47 CD2 1
   ATOM 1241 H B LEU A 48 ? 14.79750 -16.16694 17.19835 0.476 7.97582 H ? A ? 47 H 1
   ATOM 1242 HA B LEU A 48 ? 16.69870 -17.01692 15.60792 0.476 9.79597 H ? A ? 47 HA 1
   ATOM 1243 HB2 B LEU A 48 ? 15.48187 -18.55101 16.81976 0.476 8.96224 H ? A ? 47 HB2 1
   ATOM 1244 HB3 B LEU A 48 ? 14.13063 -18.08136 16.12766 0.476 8.96224 H ? A ? 47 HB3 1
   ATOM 1245 HG B LEU A 48 ? 14.92854 -18.96755 14.12919 0.476 10.87678 H ? A ? 47 HG 1
   ATOM 1246 HD11 B LEU A 48 ? 16.57677 -20.57326 13.99518 0.476 8.21295 H ? A ? 47 HD11 1
   ATOM 1247 HD12 B LEU A 48 ? 17.16271 -19.13489 14.32876 0.476 8.21295 H ? A ? 47 HD12 1
   ATOM 1248 HD13 B LEU A 48 ? 17.02054 -20.22101 15.47926 0.476 8.21295 H ? A ? 47 HD13 1
   ATOM 1249 HD21 B LEU A 48 ? 14.40592 -21.25205 14.71587 0.476 11.85586 H ? A ? 47 HD21 1
   ATOM 1250 HD22 B LEU A 48 ? 14.61105 -20.87410 16.24511 0.476 11.85586 H ? A ? 47 HD22 1
   ATOM 1251 HD23 B LEU A 48 ? 13.40168 -20.24771 15.42744 0.476 11.85586 H ? A ? 47 HD23 1
   ATOM 1252 N C LEU A 48 ? 15.43835 -16.23438 16.58681 0.524 6.22020 N ? A ? 47 N 1
   ATOM 1253 CA C LEU A 48 ? 15.66627 -17.21738 15.53423 0.524 5.62264 C ? A ? 47 CA 1
   ATOM 1254 C C LEU A 48 ? 15.19998 -16.68588 14.16439 0.524 7.34713 C ? A ? 47 C 1
   ATOM 1255 O C LEU A 48 ? 15.84756 -16.97599 13.14202 0.524 7.13975 O ? A ? 47 O 1
   ATOM 1256 CB C LEU A 48 ? 14.99734 -18.54600 15.88668 0.524 6.33729 C ? A ? 47 CB 1
   ATOM 1257 CG C LEU A 48 ? 15.33558 -19.69637 14.94525 0.524 6.56827 C ? A ? 47 CG 1
   ATOM 1258 CD1 C LEU A 48 ? 16.82184 -19.98206 14.90917 0.524 10.11696 C ? A ? 47 CD1 1
   ATOM 1259 CD2 C LEU A 48 ? 14.56887 -20.90969 15.40615 0.524 7.10373 C ? A ? 47 CD2 1
   ATOM 1260 H C LEU A 48 ? 14.93889 -16.50132 17.23402 0.524 7.47809 H ? A ? 47 H 1
   ATOM 1261 HA C LEU A 48 ? 16.61800 -17.39242 15.46743 0.524 6.76103 H ? A ? 47 HA 1
   ATOM 1262 HB2 C LEU A 48 ? 15.27777 -18.80483 16.77846 0.524 7.61860 H ? A ? 47 HB2 1
   ATOM 1263 HB3 C LEU A 48 ? 14.03557 -18.42193 15.86427 0.524 7.61860 H ? A ? 47 HB3 1
   ATOM 1264 HG C LEU A 48 ? 15.08592 -19.46444 14.03708 0.524 7.89578 H ? A ? 47 HG 1
   ATOM 1265 HD11 C LEU A 48 ? 16.97053 -20.82418 14.45131 0.524 12.15420 H ? A ? 47 HD11 1
   ATOM 1266 HD12 C LEU A 48 ? 17.27000 -19.26419 14.43514 0.524 12.15420 H ? A ? 47 HD12 1
   ATOM 1267 HD13 C LEU A 48 ? 17.15510 -20.03661 15.81849 0.524 12.15420 H ? A ? 47 HD13 1
   ATOM 1268 HD21 C LEU A 48 ? 14.79887 -21.66264 14.83951 0.524 8.53834 H ? A ? 47 HD21 1
   ATOM 1269 HD22 C LEU A 48 ? 14.80727 -21.10318 16.32627 0.524 8.53834 H ? A ? 47 HD22 1
   ATOM 1270 HD23 C LEU A 48 ? 13.61860 -20.72580 15.34233 0.524 8.53834 H ? A ? 47 HD23 1
   ATOM 1271 N . LYS A 49 ? 14.09658 -15.92170 14.12481 1.000 7.56259 N ? A ? 48 N 1
   ATOM 1272 CA . LYS A 49 ? 13.60893 -15.33677 12.86235 1.000 8.06347 C ? A ? 48 CA 1
   ATOM 1273 C . LYS A 49 ? 14.64789 -14.39473 12.27371 1.000 6.94265 C ? A ? 48 C 1
   ATOM 1274 O . LYS A 49 ? 15.00176 -14.51662 11.08753 1.000 7.64442 O ? A ? 48 O 1
   ATOM 1275 HA . LYS A 49 ? 13.43513 -16.04214 12.21959 1.000 9.69002 H ? A ? 48 HA 1
   ATOM 1276 CB A LYS A 49 ? 12.26980 -14.65449 13.02268 0.455 10.40217 C ? A ? 48 CB 1
   ATOM 1277 CG A LYS A 49 ? 11.67195 -14.20286 11.70491 0.455 8.04940 C ? A ? 48 CG 1
   ATOM 1278 CD A LYS A 49 ? 10.45903 -13.38585 12.01047 0.455 14.53325 C ? A ? 48 CD 1
   ATOM 1279 CE A LYS A 49 ? 9.83069 -12.65667 10.84291 0.455 18.72663 C ? A ? 48 CE 1
   ATOM 1280 NZ A LYS A 49 ? 10.78760 -11.76535 10.13661 0.455 22.16019 N ? A ? 48 NZ 1
   ATOM 1281 HB2 A LYS A 49 ? 11.64862 -15.27420 13.43619 0.455 12.49647 H ? A ? 48 HB2 1
   ATOM 1282 HB3 A LYS A 49 ? 12.38096 -13.87168 13.58461 0.455 12.49647 H ? A ? 48 HB3 1
   ATOM 1283 HG2 A LYS A 49 ? 12.30956 -13.65929 11.21615 0.455 9.67313 H ? A ? 48 HG2 1
   ATOM 1284 HG3 A LYS A 49 ? 11.41452 -14.97169 11.17243 0.455 9.67313 H ? A ? 48 HG3 1
   ATOM 1285 HD2 A LYS A 49 ? 9.78088 -13.97541 12.37574 0.455 17.45376 H ? A ? 48 HD2 1
   ATOM 1286 HD3 A LYS A 49 ? 10.70345 -12.71459 12.66666 0.455 17.45376 H ? A ? 48 HD3 1
   ATOM 1287 HE2 A LYS A 49 ? 9.50094 -13.30794 10.20415 0.455 22.48582 H ? A ? 48 HE2 1
   ATOM 1288 HE3 A LYS A 49 ? 9.09788 -12.11096 11.16861 0.455 22.48582 H ? A ? 48 HE3 1
   ATOM 1289 HZ1 A LYS A 49 ? 10.37871 -11.35346 9.46188 0.455 26.60608 H ? A ? 48 HZ1 1
   ATOM 1290 HZ2 A LYS A 49 ? 11.10511 -11.15298 10.69901 0.455 26.60608 H ? A ? 48 HZ2 1
   ATOM 1291 HZ3 A LYS A 49 ? 11.46693 -12.24196 9.81496 0.455 26.60608 H ? A ? 48 HZ3 1
   ATOM 1292 CB B LYS A 49 ? 12.29923 -14.57719 13.13796 0.545 9.95832 C ? A ? 48 CB 1
   ATOM 1293 CG B LYS A 49 ? 11.85877 -13.54921 12.04471 0.545 9.99846 C ? A ? 48 CG 1
   ATOM 1294 CD B LYS A 49 ? 10.54714 -12.76777 12.37534 0.545 9.81264 C ? A ? 48 CD 1
   ATOM 1295 CE B LYS A 49 ? 10.22449 -11.76729 11.25500 0.545 21.71582 C ? A ? 48 CE 1
   ATOM 1296 NZ B LYS A 49 ? 9.13490 -10.82464 11.58344 0.545 18.16920 N ? A ? 48 NZ 1
   ATOM 1297 H B LYS A 49 ? 13.53117 -15.86560 14.77039 0.476 9.08896 H ? A ? 48 H 1
   ATOM 1298 HB2 B LYS A 49 ? 11.58447 -15.22723 13.22434 0.545 11.96384 H ? A ? 48 HB2 1
   ATOM 1299 HB3 B LYS A 49 ? 12.40290 -14.08584 13.96786 0.545 11.96384 H ? A ? 48 HB3 1
   ATOM 1300 HG2 B LYS A 49 ? 12.56664 -12.89571 11.93175 0.545 12.01201 H ? A ? 48 HG2 1
   ATOM 1301 HG3 B LYS A 49 ? 11.71189 -14.02630 11.21302 0.545 12.01201 H ? A ? 48 HG3 1
   ATOM 1302 HD2 B LYS A 49 ? 9.80830 -13.39106 12.45617 0.545 11.78903 H ? A ? 48 HD2 1
   ATOM 1303 HD3 B LYS A 49 ? 10.66021 -12.27791 13.20489 0.545 11.78903 H ? A ? 48 HD3 1
   ATOM 1304 HE2 B LYS A 49 ? 11.01923 -11.24399 11.06673 0.545 26.07284 H ? A ? 48 HE2 1
   ATOM 1305 HE3 B LYS A 49 ? 9.95747 -12.26127 10.46406 0.545 26.07284 H ? A ? 48 HE3 1
   ATOM 1306 HZ1 B LYS A 49 ? 8.37583 -11.09259 11.20381 0.545 21.81690 H ? A ? 48 HZ1 1
   ATOM 1307 HZ2 B LYS A 49 ? 9.01962 -10.78793 12.46518 0.545 21.81690 H ? A ? 48 HZ2 1
   ATOM 1308 HZ3 B LYS A 49 ? 9.33592 -10.01088 11.28430 0.545 21.81690 H ? A ? 48 HZ3 1
   ATOM 1309 H C LYS A 49 ? 13.61408 -15.72693 14.80955 0.524 9.08896 H ? A ? 48 H 1
   ATOM 1310 N . THR A 50 ? 15.17052 -13.47614 13.06423 1.000 7.20806 N ? A ? 49 N 1
   ATOM 1311 CA . THR A 50 ? 16.19205 -12.56088 12.56689 1.000 7.61378 C ? A ? 49 CA 1
   ATOM 1312 C . THR A 50 ? 17.41909 -13.31666 12.09166 1.000 6.69616 C ? A ? 49 C 1
   ATOM 1313 O . THR A 50 ? 17.94450 -13.04573 10.99999 1.000 7.67905 O ? A ? 49 O 1
   ATOM 1314 H . THR A 50 ? 14.95632 -13.35771 13.88867 1.000 8.66353 H ? A ? 49 H 1
   ATOM 1315 HA . THR A 50 ? 15.82688 -12.06256 11.81907 1.000 9.15040 H ? A ? 49 HA 1
   ATOM 1316 CB A THR A 50 ? 16.58082 -11.54277 13.63993 0.280 9.34901 C ? A ? 49 CB 1
   ATOM 1317 OG1 A THR A 50 ? 15.49954 -10.61600 13.81685 0.280 13.09438 O ? A ? 49 OG1 1
   ATOM 1318 CG2 A THR A 50 ? 17.86070 -10.79574 13.23060 0.280 9.17974 C ? A ? 49 CG2 1
   ATOM 1319 HB A THR A 50 ? 16.75814 -11.99141 14.48147 0.280 11.23266 H ? A ? 49 HB 1
   ATOM 1320 HG1 A THR A 50 ? 15.34586 -10.21285 13.09613 0.280 15.72711 H ? A ? 49 HG1 1
   ATOM 1321 HG21 A THR A 50 ? 17.94524 -9.97676 13.74347 0.280 11.02954 H ? A ? 49 HG21 1
   ATOM 1322 HG22 A THR A 50 ? 18.63736 -11.35267 13.39654 0.280 11.02954 H ? A ? 49 HG22 1
   ATOM 1323 HG23 A THR A 50 ? 17.82806 -10.57418 12.28681 0.280 11.02954 H ? A ? 49 HG23 1
   ATOM 1324 CB B THR A 50 ? 16.58572 -11.58867 13.67197 0.720 9.26594 C ? A ? 49 CB 1
   ATOM 1325 OG1 B THR A 50 ? 15.42971 -10.82497 14.06374 0.720 11.44430 O ? A ? 49 OG1 1
   ATOM 1326 CG2 B THR A 50 ? 17.66652 -10.62681 13.22290 0.720 10.80154 C ? A ? 49 CG2 1
   ATOM 1327 HB B THR A 50 ? 16.93313 -12.09809 14.42077 0.720 11.13299 H ? A ? 49 HB 1
   ATOM 1328 HG1 B THR A 50 ? 14.84180 -11.33517 14.37942 0.720 13.74702 H ? A ? 49 HG1 1
   ATOM 1329 HG21 B THR A 50 ? 17.70826 -9.86911 13.82709 0.720 12.97571 H ? A ? 49 HG21 1
   ATOM 1330 HG22 B THR A 50 ? 18.52742 -11.07372 13.21848 0.720 12.97571 H ? A ? 49 HG22 1
   ATOM 1331 HG23 B THR A 50 ? 17.47395 -10.30568 12.32808 0.720 12.97571 H ? A ? 49 HG23 1
   ATOM 1332 N . LEU A 51 ? 17.90099 -14.25513 12.89922 1.000 6.90025 N ? A ? 50 N 1
   ATOM 1333 CA . LEU A 51 ? 19.10842 -14.99276 12.54903 1.000 7.44389 C ? A ? 50 CA 1
   ATOM 1334 C . LEU A 51 ? 18.93440 -15.81807 11.28485 1.000 7.56243 C ? A ? 50 C 1
   ATOM 1335 O . LEU A 51 ? 19.87183 -15.93546 10.48749 1.000 8.46547 O ? A ? 50 O 1
   ATOM 1336 CB . LEU A 51 ? 19.51788 -15.91914 13.69120 1.000 8.30429 C ? A ? 50 CB 1
   ATOM 1337 CG . LEU A 51 ? 19.93689 -15.24477 15.00089 1.000 8.73964 C ? A ? 50 CG 1
   ATOM 1338 CD1 . LEU A 51 ? 20.06933 -16.30512 16.10480 1.000 9.17144 C ? A ? 50 CD1 1
   ATOM 1339 CD2 . LEU A 51 ? 21.27317 -14.54094 14.81788 1.000 9.72765 C ? A ? 50 CD2 1
   ATOM 1340 H . LEU A 51 ? 17.55077 -14.48316 13.65085 1.000 8.29416 H ? A ? 50 H 1
   ATOM 1341 HA . LEU A 51 ? 19.80953 -14.33970 12.39786 1.000 8.94652 H ? A ? 50 HA 1
   ATOM 1342 HB2 . LEU A 51 ? 18.76477 -16.49535 13.89545 1.000 9.97901 H ? A ? 50 HB2 1
   ATOM 1343 HB3 . LEU A 51 ? 20.27109 -16.45153 13.39098 1.000 9.97901 H ? A ? 50 HB3 1
   ATOM 1344 HG . LEU A 51 ? 19.26808 -14.59136 15.25906 1.000 10.50142 H ? A ? 50 HG 1
   ATOM 1345 HD11 . LEU A 51 ? 20.39035 -15.87914 16.91498 1.000 11.01958 H ? A ? 50 HD11 1
   ATOM 1346 HD12 . LEU A 51 ? 19.20035 -16.70576 16.26374 1.000 11.01958 H ? A ? 50 HD12 1
   ATOM 1347 HD13 . LEU A 51 ? 20.69895 -16.98430 15.81639 1.000 11.01958 H ? A ? 50 HD13 1
   ATOM 1348 HD21 . LEU A 51 ? 21.58844 -14.23227 15.68172 1.000 11.68704 H ? A ? 50 HD21 1
   ATOM 1349 HD22 . LEU A 51 ? 21.90987 -15.16608 14.43745 1.000 11.68704 H ? A ? 50 HD22 1
   ATOM 1350 HD23 . LEU A 51 ? 21.15335 -13.78618 14.22049 1.000 11.68704 H ? A ? 50 HD23 1
   ATOM 1351 N A SER A 52 ? 17.76735 -16.43697 11.05957 0.244 7.39125 N ? A ? 51 N 1
   ATOM 1352 CA A SER A 52 ? 17.54961 -17.36362 9.94788 0.244 8.21917 C ? A ? 51 CA 1
   ATOM 1353 C A SER A 52 ? 17.43525 -16.66666 8.59693 0.244 7.02334 C ? A ? 51 C 1
   ATOM 1354 O A SER A 52 ? 17.40187 -17.35409 7.57233 0.244 5.92466 O ? A ? 51 O 1
   ATOM 1355 CB A SER A 52 ? 16.34727 -18.26082 10.29026 0.244 4.84045 C ? A ? 51 CB 1
   ATOM 1356 OG A SER A 52 ? 16.56272 -19.04394 11.46916 0.244 8.08120 O ? A ? 51 OG 1
   ATOM 1357 H A SER A 52 ? 17.06913 -16.33259 11.55068 0.244 8.88336 H ? A ? 51 H 1
   ATOM 1358 HA A SER A 52 ? 18.30810 -17.95829 9.83853 0.244 9.87686 H ? A ? 51 HA 1
   ATOM 1359 HB2 A SER A 52 ? 15.57142 -17.69622 10.43233 0.244 5.82239 H ? A ? 51 HB2 1
   ATOM 1360 HB3 A SER A 52 ? 16.18848 -18.86158 9.54543 0.244 5.82239 H ? A ? 51 HB3 1
   ATOM 1361 HG A SER A 52 ? 15.87359 -19.48977 11.64783 0.244 9.71130 H ? A ? 51 HG 1
   ATOM 1362 N B SER A 52 ? 17.72502 -16.36496 11.09822 0.756 7.29250 N ? A ? 51 N 1
   ATOM 1363 CA B SER A 52 ? 17.43286 -17.30137 10.03932 0.756 8.26433 C ? A ? 51 CA 1
   ATOM 1364 C B SER A 52 ? 17.55060 -16.68049 8.66245 0.756 7.58241 C ? A ? 51 C 1
   ATOM 1365 O B SER A 52 ? 17.70593 -17.42833 7.69650 0.756 8.54608 O ? A ? 51 O 1
   ATOM 1366 CB B SER A 52 ? 15.99278 -17.84702 10.17716 0.756 7.81728 C ? A ? 51 CB 1
   ATOM 1367 OG B SER A 52 ? 14.99649 -16.90651 9.91907 0.756 8.68235 O ? A ? 51 OG 1
   ATOM 1368 H B SER A 52 ? 17.04268 -16.19673 11.59390 0.756 8.76486 H ? A ? 51 H 1
   ATOM 1369 HA B SER A 52 ? 18.06528 -18.03235 10.12072 0.756 9.93105 H ? A ? 51 HA 1
   ATOM 1370 HB2 B SER A 52 ? 15.88617 -18.57955 9.55031 0.756 9.39460 H ? A ? 51 HB2 1
   ATOM 1371 HB3 B SER A 52 ? 15.87712 -18.16793 11.08520 0.756 9.39460 H ? A ? 51 HB3 1
   ATOM 1372 HG B SER A 52 ? 14.66705 -16.63145 10.64116 0.756 10.43268 H ? A ? 51 HG 1
   ATOM 1373 N . ALA A 53 ? 17.45386 -15.34365 8.56395 1.000 7.36116 N ? A ? 52 N 1
   ATOM 1374 CA . ALA A 53 ? 17.59067 -14.62049 7.31908 1.000 7.83311 C ? A ? 52 CA 1
   ATOM 1375 C . ALA A 53 ? 19.02294 -14.30347 6.96890 1.000 7.58931 C ? A ? 52 C 1
   ATOM 1376 O . ALA A 53 ? 19.28283 -13.83672 5.86100 1.000 11.04937 O ? A ? 52 O 1
   ATOM 1377 CB . ALA A 53 ? 16.75388 -13.33361 7.38565 1.000 9.33730 C ? A ? 52 CB 1
   ATOM 1378 HA . ALA A 53 ? 17.24341 -15.16042 6.59190 1.000 9.41359 H ? A ? 52 HA 1
   ATOM 1379 HB1 . ALA A 53 ? 16.81251 -12.87434 6.53328 1.000 11.21862 H ? A ? 52 HB1 1
   ATOM 1380 HB2 . ALA A 53 ? 15.83108 -13.56631 7.57322 1.000 11.21862 H ? A ? 52 HB2 1
   ATOM 1381 HB3 . ALA A 53 ? 17.10209 -12.76666 8.09150 1.000 11.21862 H ? A ? 52 HB3 1
   ATOM 1382 H A ALA A 53 ? 17.38800 -14.84011 9.25801 0.244 8.84725 H ? A ? 52 H 1
   ATOM 1383 H B ALA A 53 ? 17.30389 -14.82772 9.23546 0.756 8.84725 H ? A ? 52 H 1
   ATOM 1384 N A LEU A 54 ? 19.97552 -14.48504 7.90590 0.660 7.29073 N ? A ? 53 N 1
   ATOM 1385 CA A LEU A 54 ? 21.36348 -14.00797 7.81050 0.660 6.65812 C ? A ? 53 CA 1
   ATOM 1386 C A LEU A 54 ? 22.32506 -14.84642 6.95874 0.660 6.76896 C ? A ? 53 C 1
   ATOM 1387 O A LEU A 54 ? 23.17951 -14.26564 6.28347 0.660 6.12506 O ? A ? 53 O 1
   ATOM 1388 CB A LEU A 54 ? 21.99029 -13.71791 9.19011 0.660 7.18564 C ? A ? 53 CB 1
   ATOM 1389 CG A LEU A 54 ? 21.29023 -12.72409 10.08506 0.660 7.43560 C ? A ? 53 CG 1
   ATOM 1390 CD1 A LEU A 54 ? 22.12259 -12.48585 11.34640 0.660 8.80102 C ? A ? 53 CD1 1
   ATOM 1391 CD2 A LEU A 54 ? 21.05283 -11.41936 9.35013 0.660 7.92874 C ? A ? 53 CD2 1
   ATOM 1392 H A LEU A 54 ? 19.83158 -14.90382 8.64313 0.660 8.76273 H ? A ? 53 H 1
   ATOM 1393 HA A LEU A 54 ? 21.26826 -13.17977 7.31459 0.660 8.00360 H ? A ? 53 HA 1
   ATOM 1394 HB2 A LEU A 54 ? 22.02964 -14.55495 9.67870 0.660 8.63662 H ? A ? 53 HB2 1
   ATOM 1395 HB3 A LEU A 54 ? 22.88656 -13.37785 9.04188 0.660 8.63662 H ? A ? 53 HB3 1
   ATOM 1396 HG A LEU A 54 ? 20.42609 -13.07864 10.34670 0.660 8.93658 H ? A ? 53 HG 1
   ATOM 1397 HD11 A LEU A 54 ? 21.68179 -11.81756 11.89410 0.660 10.57508 H ? A ? 53 HD11 1
   ATOM 1398 HD12 A LEU A 54 ? 22.19742 -13.31903 11.83743 0.660 10.57508 H ? A ? 53 HD12 1
   ATOM 1399 HD13 A LEU A 54 ? 23.00402 -12.17343 11.08878 0.660 10.57508 H ? A ? 53 HD13 1
   ATOM 1400 HD21 A LEU A 54 ? 20.72514 -10.75768 9.97918 0.660 9.52834 H ? A ? 53 HD21 1
   ATOM 1401 HD22 A LEU A 54 ? 21.88906 -11.11970 8.96048 0.660 9.52834 H ? A ? 53 HD22 1
   ATOM 1402 HD23 A LEU A 54 ? 20.39595 -11.56542 8.65151 0.660 9.52834 H ? A ? 53 HD23 1
   ATOM 1403 N B LEU A 54 ? 19.93367 -14.58435 7.78595 0.340 6.57609 N ? A ? 53 N 1
   ATOM 1404 CA B LEU A 54 ? 21.23044 -14.00489 7.53724 0.340 5.22275 C ? A ? 53 CA 1
   ATOM 1405 C B LEU A 54 ? 22.20954 -14.86442 6.75139 0.340 5.97996 C ? A ? 53 C 1
   ATOM 1406 O B LEU A 54 ? 22.96101 -14.31897 5.93589 0.340 6.63262 O ? A ? 53 O 1
   ATOM 1407 CB B LEU A 54 ? 21.89040 -13.58921 8.84633 0.340 5.78362 C ? A ? 53 CB 1
   ATOM 1408 CG B LEU A 54 ? 21.08303 -12.61215 9.67144 0.340 6.32037 C ? A ? 53 CG 1
   ATOM 1409 CD1 B LEU A 54 ? 21.78007 -12.38808 11.00219 0.340 6.09405 C ? A ? 53 CD1 1
   ATOM 1410 CD2 B LEU A 54 ? 20.86634 -11.28501 8.93232 0.340 7.54046 C ? A ? 53 CD2 1
   ATOM 1411 H B LEU A 54 ? 19.85820 -15.08845 8.47862 0.340 7.90516 H ? A ? 53 H 1
   ATOM 1412 HA B LEU A 54 ? 21.04744 -13.24289 6.96561 0.340 6.28116 H ? A ? 53 HA 1
   ATOM 1413 HB2 B LEU A 54 ? 22.03214 -14.38269 9.38596 0.340 6.95420 H ? A ? 53 HB2 1
   ATOM 1414 HB3 B LEU A 54 ? 22.74113 -13.16972 8.64336 0.340 6.95420 H ? A ? 53 HB3 1
   ATOM 1415 HG B LEU A 54 ? 20.20110 -12.98242 9.83266 0.340 7.59830 H ? A ? 53 HG 1
   ATOM 1416 HD11 B LEU A 54 ? 21.24220 -11.78932 11.54355 0.340 7.32672 H ? A ? 53 HD11 1
   ATOM 1417 HD12 B LEU A 54 ? 21.88123 -13.24086 11.45323 0.340 7.32672 H ? A ? 53 HD12 1
   ATOM 1418 HD13 B LEU A 54 ? 22.65156 -11.99432 10.83986 0.340 7.32672 H ? A ? 53 HD13 1
   ATOM 1419 HD21 B LEU A 54 ? 20.55630 -10.61820 9.56489 0.340 9.06240 H ? A ? 53 HD21 1
   ATOM 1420 HD22 B LEU A 54 ? 21.70643 -11.00201 8.53854 0.340 9.06240 H ? A ? 53 HD22 1
   ATOM 1421 HD23 B LEU A 54 ? 20.20250 -11.41540 8.23719 0.340 9.06240 H ? A ? 53 HD23 1
   ATOM 1422 N . PRO A 55 ? 22.26135 -16.18716 6.93336 1.000 6.51049 N ? A ? 54 N 1
   ATOM 1423 CA . PRO A 55 ? 23.35293 -16.90437 6.27141 1.000 6.87814 C ? A ? 54 CA 1
   ATOM 1424 C . PRO A 55 ? 23.39712 -16.67526 4.77667 1.000 7.18427 C ? A ? 54 C 1
   ATOM 1425 O . PRO A 55 ? 24.49149 -16.70474 4.19102 1.000 7.83690 O ? A ? 54 O 1
   ATOM 1426 CB . PRO A 55 ? 23.04757 -18.37025 6.58264 1.000 7.56630 C ? A ? 54 CB 1
   ATOM 1427 CG . PRO A 55 ? 22.28188 -18.33167 7.85224 1.000 7.59072 C ? A ? 54 CG 1
   ATOM 1428 CD . PRO A 55 ? 21.43912 -17.08453 7.76252 1.000 7.66221 C ? A ? 54 CD 1
   ATOM 1429 HA . PRO A 55 ? 24.19989 -16.65021 6.67011 1.000 8.26763 H ? A ? 54 HA 1
   ATOM 1430 HB2 . PRO A 55 ? 22.51830 -18.75776 5.86807 1.000 9.09342 H ? A ? 54 HB2 1
   ATOM 1431 HB3 . PRO A 55 ? 23.87452 -18.86592 6.68929 1.000 9.09342 H ? A ? 54 HB3 1
   ATOM 1432 HG2 . PRO A 55 ? 21.72448 -19.12207 7.92623 1.000 9.12272 H ? A ? 54 HG2 1
   ATOM 1433 HG3 . PRO A 55 ? 22.89196 -18.28431 8.60487 1.000 9.12272 H ? A ? 54 HG3 1
   ATOM 1434 HD2 . PRO A 55 ? 20.58949 -17.27094 7.33322 1.000 9.20851 H ? A ? 54 HD2 1
   ATOM 1435 HD3 . PRO A 55 ? 21.28991 -16.70346 8.64196 1.000 9.20851 H ? A ? 54 HD3 1
   ATOM 1436 N . TRP A 56 ? 22.24771 -16.49560 4.12582 1.000 7.19455 N ? A ? 55 N 1
   ATOM 1437 CA . TRP A 56 ? 22.17456 -16.71583 2.66758 1.000 8.95162 C ? A ? 55 CA 1
   ATOM 1438 C . TRP A 56 ? 22.98186 -15.67534 1.89199 1.000 10.02141 C ? A ? 55 C 1
   ATOM 1439 O . TRP A 56 ? 23.64077 -16.02253 0.88040 1.000 10.61640 O ? A ? 55 O 1
   ATOM 1440 CB . TRP A 56 ? 20.67133 -16.93852 2.20868 1.000 9.45151 C ? A ? 55 CB 1
   ATOM 1441 CG . TRP A 56 ? 19.95449 -17.66407 3.30032 1.000 8.20403 C ? A ? 55 CG 1
   ATOM 1442 CD1 . TRP A 56 ? 18.94436 -17.18041 4.07323 1.000 8.79120 C ? A ? 55 CD1 1
   ATOM 1443 CD2 . TRP A 56 ? 20.33184 -18.92737 3.86062 1.000 7.22588 C ? A ? 55 CD2 1
   ATOM 1444 NE1 . TRP A 56 ? 18.67995 -18.05760 5.09050 1.000 8.81271 N ? A ? 55 NE1 1
   ATOM 1445 CE2 . TRP A 56 ? 19.53593 -19.13971 4.99923 1.000 7.67040 C ? A ? 55 CE2 1
   ATOM 1446 CE3 . TRP A 56 ? 21.31428 -19.85914 3.54377 1.000 7.92415 C ? A ? 55 CE3 1
   ATOM 1447 CZ2 . TRP A 56 ? 19.72797 -20.20610 5.84031 1.000 7.72325 C ? A ? 55 CZ2 1
   ATOM 1448 CZ3 . TRP A 56 ? 21.50882 -20.93085 4.36190 1.000 9.33559 C ? A ? 55 CZ3 1
   ATOM 1449 CH2 . TRP A 56 ? 20.71142 -21.12060 5.48379 1.000 8.93808 C ? A ? 55 CH2 1
   ATOM 1450 H . TRP A 56 ? 21.50767 -16.25189 4.48989 1.000 8.64732 H ? A ? 55 H 1
   ATOM 1451 HA . TRP A 56 ? 22.59895 -17.55320 2.42343 1.000 10.75580 H ? A ? 55 HA 1
   ATOM 1452 HB2 . TRP A 56 ? 20.23926 -16.08361 2.05590 1.000 11.35567 H ? A ? 55 HB2 1
   ATOM 1453 HB3 . TRP A 56 ? 20.64545 -17.47265 1.39941 1.000 11.35567 H ? A ? 55 HB3 1
   ATOM 1454 HD1 . TRP A 56 ? 18.50059 -16.37545 3.93176 1.000 10.56329 H ? A ? 55 HD1 1
   ATOM 1455 HE1 . TRP A 56 ? 18.07528 -17.95201 5.69284 1.000 10.58911 H ? A ? 55 HE1 1
   ATOM 1456 HE3 . TRP A 56 ? 21.83394 -19.75158 2.78004 1.000 9.52283 H ? A ? 55 HE3 1
   ATOM 1457 HZ2 . TRP A 56 ? 19.22292 -20.31219 6.61398 1.000 9.28176 H ? A ? 55 HZ2 1
   ATOM 1458 HZ3 . TRP A 56 ? 22.18241 -21.54189 4.16746 1.000 11.21656 H ? A ? 55 HZ3 1
   ATOM 1459 HH2 . TRP A 56 ? 20.83897 -21.87772 6.00858 1.000 10.73956 H ? A ? 55 HH2 1
   ATOM 1460 N . ALA A 57 ? 23.00393 -14.43406 2.40380 1.000 8.64540 N ? A ? 56 N 1
   ATOM 1461 CA . ALA A 57 ? 23.74958 -13.37314 1.76103 1.000 9.82019 C ? A ? 56 CA 1
   ATOM 1462 C . ALA A 57 ? 25.25461 -13.55761 1.88808 1.000 8.52232 C ? A ? 56 C 1
   ATOM 1463 O . ALA A 57 ? 26.00761 -12.85590 1.19339 1.000 11.09463 O ? A ? 56 O 1
   ATOM 1464 CB . ALA A 57 ? 23.33666 -12.02263 2.34904 1.000 11.73628 C ? A ? 56 CB 1
   ATOM 1465 H . ALA A 57 ? 22.59289 -14.19397 3.12004 1.000 10.38834 H ? A ? 56 H 1
   ATOM 1466 HA . ALA A 57 ? 23.53409 -13.36404 0.81531 1.000 11.79808 H ? A ? 56 HA 1
   ATOM 1467 HB1 . ALA A 57 ? 23.85673 -11.32166 1.92587 1.000 14.09739 H ? A ? 56 HB1 1
   ATOM 1468 HB2 . ALA A 57 ? 22.39189 -11.88071 2.18122 1.000 14.09739 H ? A ? 56 HB2 1
   ATOM 1469 HB3 . ALA A 57 ? 23.50563 -12.02912 3.30418 1.000 14.09739 H ? A ? 56 HB3 1
   ATOM 1470 N . ALA A 58 ? 25.70546 -14.49911 2.70841 1.000 7.76482 N ? A ? 57 N 1
   ATOM 1471 CA . ALA A 58 ? 27.11755 -14.77699 2.87949 1.000 7.93045 C ? A ? 57 CA 1
   ATOM 1472 C . ALA A 58 ? 27.57139 -15.95895 2.05414 1.000 8.06505 C ? A ? 57 C 1
   ATOM 1473 O . ALA A 58 ? 28.68019 -16.45726 2.27541 1.000 8.29444 O ? A ? 57 O 1
   ATOM 1474 CB . ALA A 58 ? 27.42840 -15.00097 4.37093 1.000 8.00025 C ? A ? 57 CB 1
   ATOM 1475 H . ALA A 58 ? 25.19661 -15.00069 3.18704 1.000 9.33164 H ? A ? 57 H 1
   ATOM 1476 HA . ALA A 58 ? 27.63151 -14.00739 2.58886 1.000 9.53040 H ? A ? 57 HA 1
   ATOM 1477 HB1 . ALA A 58 ? 28.35645 -15.26749 4.46353 1.000 9.61416 H ? A ? 57 HB1 1
   ATOM 1478 HB2 . ALA A 58 ? 27.27188 -14.17435 4.85374 1.000 9.61416 H ? A ? 57 HB2 1
   ATOM 1479 HB3 . ALA A 58 ? 26.84810 -15.69886 4.71312 1.000 9.61416 H ? A ? 57 HB3 1
   ATOM 1480 N . PHE A 59 ? 26.74588 -16.41042 1.10892 1.000 8.43759 N ? A ? 58 N 1
   ATOM 1481 CA . PHE A 59 ? 27.16866 -17.32215 0.05953 1.000 8.96057 C ? A ? 58 CA 1
   ATOM 1482 C . PHE A 59 ? 27.19861 -16.61632 -1.30580 1.000 9.91062 C ? A ? 58 C 1
   ATOM 1483 O . PHE A 59 ? 26.76969 -17.18419 -2.32670 1.000 11.20363 O ? A ? 58 O 1
   ATOM 1484 CB . PHE A 59 ? 26.28472 -18.58388 0.00897 1.000 9.84183 C ? A ? 58 CB 1
   ATOM 1485 CG . PHE A 59 ? 26.24209 -19.44970 1.26784 1.000 8.84967 C ? A ? 58 CG 1
   ATOM 1486 CD1 . PHE A 59 ? 25.36021 -19.18034 2.30321 1.000 9.62080 C ? A ? 58 CD1 1
   ATOM 1487 CD2 . PHE A 59 ? 27.05441 -20.57414 1.37086 1.000 8.90559 C ? A ? 58 CD2 1
   ATOM 1488 CE1 . PHE A 59 ? 25.30253 -19.98421 3.40403 1.000 9.02968 C ? A ? 58 CE1 1
   ATOM 1489 CE2 . PHE A 59 ? 27.00558 -21.39583 2.45309 1.000 9.25793 C ? A ? 58 CE2 1
   ATOM 1490 CZ . PHE A 59 ? 26.09594 -21.08992 3.48344 1.000 9.36921 C ? A ? 58 CZ 1
   ATOM 1491 H . PHE A 59 ? 25.91523 -16.19344 1.05844 1.000 10.13897 H ? A ? 58 H 1
   ATOM 1492 HA . PHE A 59 ? 28.06878 -17.62060 0.26353 1.000 10.76654 H ? A ? 58 HA 1
   ATOM 1493 HB2 . PHE A 59 ? 25.37378 -18.30438 -0.17258 1.000 11.82406 H ? A ? 58 HB2 1
   ATOM 1494 HB3 . PHE A 59 ? 26.60843 -19.14778 -0.71084 1.000 11.82406 H ? A ? 58 HB3 1
   ATOM 1495 HD1 . PHE A 59 ? 24.79953 -18.44053 2.24647 1.000 11.55882 H ? A ? 58 HD1 1
   ATOM 1496 HD2 . PHE A 59 ? 27.64683 -20.76916 0.68100 1.000 10.70056 H ? A ? 58 HD2 1
   ATOM 1497 HE1 . PHE A 59 ? 24.72177 -19.77780 4.10046 1.000 10.84947 H ? A ? 58 HE1 1
   ATOM 1498 HE2 . PHE A 59 ? 27.55896 -22.14100 2.51131 1.000 11.12337 H ? A ? 58 HE2 1
   ATOM 1499 HZ . PHE A 59 ? 26.03583 -21.64756 4.22528 1.000 11.25691 H ? A ? 58 HZ 1
   ATOM 1500 N . GLY A 60 ? 27.67763 -15.37339 -1.33511 1.000 11.05733 N ? A ? 59 N 1
   ATOM 1501 CA . GLY A 60 ? 27.68404 -14.58384 -2.54493 1.000 12.61149 C ? A ? 59 CA 1
   ATOM 1502 C . GLY A 60 ? 28.70465 -15.09515 -3.52725 1.000 14.59542 C ? A ? 59 C 1
   ATOM 1503 O . GLY A 60 ? 29.51302 -15.96280 -3.23133 1.000 12.08743 O ? A ? 59 O 1
   ATOM 1504 H . GLY A 60 ? 28.00744 -14.96637 -0.65308 1.000 13.28265 H ? A ? 59 H 1
   ATOM 1505 HA2 . GLY A 60 ? 26.80849 -14.61899 -2.96094 1.000 15.14764 H ? A ? 59 HA2 1
   ATOM 1506 HA3 . GLY A 60 ? 27.89496 -13.66167 -2.33042 1.000 15.14764 H ? A ? 59 HA3 1
   ATOM 1507 N . PRO A 61 ? 28.70052 -14.53547 -4.71336 1.000 18.00995 N ? A ? 60 N 1
   ATOM 1508 CA . PRO A 61 ? 29.72754 -14.94643 -5.68722 1.000 23.77315 C ? A ? 60 CA 1
   ATOM 1509 C . PRO A 61 ? 31.14473 -14.88939 -5.13676 1.000 16.59560 C ? A ? 60 C 1
   ATOM 1510 O . PRO A 61 ? 31.51115 -13.92096 -4.46991 1.000 18.09779 O ? A ? 60 O 1
   ATOM 1511 CB . PRO A 61 ? 29.55470 -13.94662 -6.83746 1.000 31.36891 C ? A ? 60 CB 1
   ATOM 1512 CG . PRO A 61 ? 28.40329 -13.04141 -6.45858 1.000 39.44310 C ? A ? 60 CG 1
   ATOM 1513 CD . PRO A 61 ? 27.67157 -13.65176 -5.29954 1.000 31.35592 C ? A ? 60 CD 1
   ATOM 1514 HA . PRO A 61 ? 29.53503 -15.84669 -5.99280 1.000 28.54164 H ? A ? 60 HA 1
   ATOM 1515 HB2 . PRO A 61 ? 30.37073 -13.43330 -6.94464 1.000 37.65655 H ? A ? 60 HB2 1
   ATOM 1516 HB3 . PRO A 61 ? 29.35519 -14.42729 -7.65603 1.000 37.65655 H ? A ? 60 HB3 1
   ATOM 1517 HG2 . PRO A 61 ? 28.75436 -12.17200 -6.21002 1.000 47.34557 H ? A ? 60 HG2 1
   ATOM 1518 HG3 . PRO A 61 ? 27.80778 -12.95363 -7.21921 1.000 47.34557 H ? A ? 60 HG3 1
   ATOM 1519 HD2 . PRO A 61 ? 27.39176 -12.97267 -4.66594 1.000 37.64096 H ? A ? 60 HD2 1
   ATOM 1520 HD3 . PRO A 61 ? 26.90312 -14.16150 -5.60046 1.000 37.64096 H ? A ? 60 HD3 1
   ATOM 1521 N . GLY A 62 ? 31.96056 -15.89702 -5.40388 1.000 20.57893 N ? A ? 61 N 1
   ATOM 1522 CA . GLY A 62 ? 33.33630 -15.82959 -4.96800 1.000 17.88075 C ? A ? 61 CA 1
   ATOM 1523 C . GLY A 62 ? 33.61518 -16.22633 -3.52901 1.000 14.79057 C ? A ? 61 C 1
   ATOM 1524 O . GLY A 62 ? 34.77699 -16.20050 -3.12226 1.000 16.02331 O ? A ? 61 O 1
   ATOM 1525 H . GLY A 62 ? 31.74258 -16.61332 -5.82696 1.000 24.70858 H ? A ? 61 H 1
   ATOM 1526 HA2 . GLY A 62 ? 33.86327 -16.41395 -5.53520 1.000 21.47075 H ? A ? 61 HA2 1
   ATOM 1527 HA3 . GLY A 62 ? 33.64581 -14.91719 -5.08038 1.000 21.47075 H ? A ? 61 HA3 1
   ATOM 1528 N . THR A 63 ? 32.59710 -16.58385 -2.74002 1.000 13.69876 N ? A ? 62 N 1
   ATOM 1529 CA . THR A 63 ? 32.75283 -16.93800 -1.32204 1.000 12.10884 C ? A ? 62 CA 1
   ATOM 1530 C . THR A 63 ? 32.83825 -18.44979 -1.08510 1.000 11.06221 C ? A ? 62 C 1
   ATOM 1531 O . THR A 63 ? 32.53290 -18.95370 0.02292 1.000 10.37492 O ? A ? 62 O 1
   ATOM 1532 CB . THR A 63 ? 31.63865 -16.33610 -0.48057 1.000 11.91030 C ? A ? 62 CB 1
   ATOM 1533 OG1 . THR A 63 ? 30.41745 -17.00300 -0.80992 1.000 10.09386 O ? A ? 62 OG1 1
   ATOM 1534 CG2 . THR A 63 ? 31.51111 -14.83980 -0.70096 1.000 13.39380 C ? A ? 62 CG2 1
   ATOM 1535 H . THR A 63 ? 31.78194 -16.63049 -3.01012 1.000 16.45237 H ? A ? 62 H 1
   ATOM 1536 HA . THR A 63 ? 33.59023 -16.55088 -1.02236 1.000 14.54446 H ? A ? 62 HA 1
   ATOM 1537 HB . THR A 63 ? 31.83426 -16.45324 0.46226 1.000 14.30621 H ? A ? 62 HB 1
   ATOM 1538 HG1 . THR A 63 ? 30.36292 -17.10845 -1.64148 1.000 12.12649 H ? A ? 62 HG1 1
   ATOM 1539 HG21 . THR A 63 ? 30.81283 -14.47906 -0.13248 1.000 16.08642 H ? A ? 62 HG21 1
   ATOM 1540 HG22 . THR A 63 ? 32.34914 -14.40041 -0.48756 1.000 16.08642 H ? A ? 62 HG22 1
   ATOM 1541 HG23 . THR A 63 ? 31.28773 -14.65877 -1.62737 1.000 16.08642 H ? A ? 62 HG23 1
   ATOM 1542 N A GLU A 64 ? 33.28695 -19.18156 -2.09219 0.539 12.85906 N ? A ? 63 N 1
   ATOM 1543 CA A GLU A 64 ? 33.48423 -20.60876 -1.94259 0.539 10.92852 C ? A ? 63 CA 1
   ATOM 1544 C A GLU A 64 ? 34.48262 -20.87867 -0.81379 0.539 11.46642 C ? A ? 63 C 1
   ATOM 1545 O A GLU A 64 ? 35.42885 -20.12349 -0.59681 0.539 11.05316 O ? A ? 63 O 1
   ATOM 1546 CB A GLU A 64 ? 33.99160 -21.11645 -3.29046 0.539 8.42110 C ? A ? 63 CB 1
   ATOM 1547 CG A GLU A 64 ? 32.97008 -21.10797 -4.46220 0.539 11.94359 C ? A ? 63 CG 1
   ATOM 1548 CD A GLU A 64 ? 32.68668 -19.76870 -5.10441 0.539 11.16536 C ? A ? 63 CD 1
   ATOM 1549 OE1 A GLU A 64 ? 33.44746 -18.80204 -4.91217 0.539 11.59812 O ? A ? 63 OE1 1
   ATOM 1550 OE2 A GLU A 64 ? 31.69206 -19.70675 -5.86149 0.539 10.80010 O ? A ? 63 OE2 1
   ATOM 1551 H A GLU A 64 ? 33.48408 -18.87504 -2.87116 0.539 15.44473 H ? A ? 63 H 1
   ATOM 1552 HA A GLU A 64 ? 32.67093 -21.08157 -1.70615 0.539 13.12809 H ? A ? 63 HA 1
   ATOM 1553 HB2 A GLU A 64 ? 34.73884 -20.55989 -3.56024 0.539 10.11918 H ? A ? 63 HB2 1
   ATOM 1554 HB3 A GLU A 64 ? 34.28555 -22.03370 -3.17575 0.539 10.11918 H ? A ? 63 HB3 1
   ATOM 1555 HG2 A GLU A 64 ? 33.30753 -21.69107 -5.16007 0.539 14.34617 H ? A ? 63 HG2 1
   ATOM 1556 HG3 A GLU A 64 ? 32.12487 -21.44608 -4.12725 0.539 14.34617 H ? A ? 63 HG3 1
   ATOM 1557 N B GLU A 64 ? 33.30592 -19.18981 -2.09440 0.461 12.75704 N ? A ? 63 N 1
   ATOM 1558 CA B GLU A 64 ? 33.50820 -20.62103 -1.91462 0.461 10.81627 C ? A ? 63 CA 1
   ATOM 1559 C B GLU A 64 ? 34.45857 -20.87264 -0.74758 0.461 11.44293 C ? A ? 63 C 1
   ATOM 1560 O B GLU A 64 ? 35.40892 -20.12927 -0.51514 0.461 10.50586 O ? A ? 63 O 1
   ATOM 1561 CB B GLU A 64 ? 34.13468 -21.24518 -3.16478 0.461 14.13809 C ? A ? 63 CB 1
   ATOM 1562 CG B GLU A 64 ? 33.17856 -21.49035 -4.32341 0.461 17.53316 C ? A ? 63 CG 1
   ATOM 1563 CD B GLU A 64 ? 32.69697 -20.22676 -5.03086 0.461 11.44146 C ? A ? 63 CD 1
   ATOM 1564 OE1 B GLU A 64 ? 33.30276 -19.15159 -4.91221 0.461 16.04518 O ? A ? 63 OE1 1
   ATOM 1565 OE2 B GLU A 64 ? 31.68666 -20.34349 -5.78480 0.461 13.16931 O ? A ? 63 OE2 1
   ATOM 1566 H B GLU A 64 ? 33.50822 -18.89020 -2.87472 0.461 15.32231 H ? A ? 63 H 1
   ATOM 1567 HA B GLU A 64 ? 32.64615 -21.03309 -1.74731 0.461 12.99338 H ? A ? 63 HA 1
   ATOM 1568 HB2 B GLU A 64 ? 34.83126 -20.65140 -3.48589 0.461 16.97957 H ? A ? 63 HB2 1
   ATOM 1569 HB3 B GLU A 64 ? 34.51659 -22.10234 -2.91918 0.461 16.97957 H ? A ? 63 HB3 1
   ATOM 1570 HG2 B GLU A 64 ? 33.62827 -22.04079 -4.98348 0.461 21.05365 H ? A ? 63 HG2 1
   ATOM 1571 HG3 B GLU A 64 ? 32.39529 -21.95162 -3.98488 0.461 21.05365 H ? A ? 63 HG3 1
   ATOM 1572 N . GLY A 65 ? 34.23806 -21.93638 -0.02744 1.000 11.45042 N ? A ? 64 N 1
   ATOM 1573 CA . GLY A 65 ? 35.10712 -22.31620 1.07584 1.000 12.48596 C ? A ? 64 CA 1
   ATOM 1574 C . GLY A 65 ? 34.34806 -22.95069 2.22688 1.000 10.40788 C ? A ? 64 C 1
   ATOM 1575 O . GLY A 65 ? 33.13479 -23.18734 2.16807 1.000 10.71336 O ? A ? 64 O 1
   ATOM 1576 HA2 . GLY A 65 ? 35.76708 -22.95282 0.75949 1.000 14.99701 H ? A ? 64 HA2 1
   ATOM 1577 HA3 . GLY A 65 ? 35.56336 -21.52829 1.41039 1.000 14.99701 H ? A ? 64 HA3 1
   ATOM 1578 H A GLY A 65 ? 33.55918 -22.45607 -0.12039 0.539 13.75436 H ? A ? 64 H 1
   ATOM 1579 H B GLY A 65 ? 33.57868 -22.47413 -0.15251 0.461 13.75436 H ? A ? 64 H 1
   ATOM 1580 N A GLY A 66 ? 35.09698 -23.29366 3.28643 0.357 12.32842 N ? A ? 65 N 1
   ATOM 1581 CA A GLY A 66 ? 34.49295 -23.86161 4.50686 0.357 12.41531 C ? A ? 65 CA 1
   ATOM 1582 C A GLY A 66 ? 34.01242 -25.28693 4.30524 0.357 10.45655 C ? A ? 65 C 1
   ATOM 1583 O A GLY A 66 ? 34.79475 -26.15609 3.92534 0.357 9.26901 O ? A ? 65 O 1
   ATOM 1584 H A GLY A 66 ? 35.95189 -23.20919 3.32652 0.357 14.80796 H ? A ? 65 H 1
   ATOM 1585 HA2 A GLY A 66 ? 35.14901 -23.85901 5.22134 0.357 14.91224 H ? A ? 65 HA2 1
   ATOM 1586 HA3 A GLY A 66 ? 33.73440 -23.31862 4.77268 0.357 14.91224 H ? A ? 65 HA3 1
   ATOM 1587 N B GLY A 66 ? 35.05697 -23.16774 3.30635 0.643 11.70945 N ? A ? 65 N 1
   ATOM 1588 CA B GLY A 66 ? 34.40903 -23.82749 4.39534 0.643 11.92579 C ? A ? 65 CA 1
   ATOM 1589 C B GLY A 66 ? 33.83227 -25.16022 3.95768 0.643 8.89750 C ? A ? 65 C 1
   ATOM 1590 O B GLY A 66 ? 34.41735 -25.88955 3.13404 0.643 8.59329 O ? A ? 65 O 1
   ATOM 1591 H B GLY A 66 ? 35.88058 -22.95026 3.42453 0.643 14.06520 H ? A ? 65 H 1
   ATOM 1592 HA2 B GLY A 66 ? 35.04719 -23.98365 5.10897 0.643 14.32480 H ? A ? 65 HA2 1
   ATOM 1593 HA3 B GLY A 66 ? 33.68865 -23.27188 4.73187 0.643 14.32480 H ? A ? 65 HA3 1
   ATOM 1594 N . ASP A 67 ? 32.75838 -25.54582 4.64164 1.000 10.42592 N ? A ? 66 N 1
   ATOM 1595 CA . ASP A 67 ? 32.07564 -26.79308 4.33118 1.000 11.16996 C ? A ? 66 CA 1
   ATOM 1596 C . ASP A 67 ? 30.89617 -26.58977 3.39712 1.000 10.72023 C ? A ? 66 C 1
   ATOM 1597 O . ASP A 67 ? 30.02701 -27.43992 3.31314 1.000 13.59974 O ? A ? 66 O 1
   ATOM 1598 CB . ASP A 67 ? 31.66241 -27.50679 5.63522 1.000 12.49568 C ? A ? 66 CB 1
   ATOM 1599 CG . ASP A 67 ? 32.83638 -28.14298 6.37442 1.000 18.89077 C ? A ? 66 CG 1
   ATOM 1600 OD1 . ASP A 67 ? 33.90546 -28.34262 5.74949 1.000 19.94043 O ? A ? 66 OD1 1
   ATOM 1601 OD2 . ASP A 67 ? 32.70583 -28.43269 7.57942 1.000 18.14079 O ? A ? 66 OD2 1
   ATOM 1602 HA . ASP A 67 ? 32.68787 -27.38616 3.86823 1.000 13.41781 H ? A ? 66 HA 1
   ATOM 1603 HB2 . ASP A 67 ? 31.25142 -26.86026 6.23019 1.000 15.00868 H ? A ? 66 HB2 1
   ATOM 1604 HB3 . ASP A 67 ? 31.02942 -28.20993 5.42116 1.000 15.00868 H ? A ? 66 HB3 1
   ATOM 1605 H A ASP A 67 ? 32.25931 -24.99098 5.06905 0.357 12.52496 H ? A ? 66 H 1
   ATOM 1606 H B ASP A 67 ? 32.40864 -25.10055 5.28896 0.643 12.52496 H ? A ? 66 H 1
   ATOM 1607 N . ALA A 68 ? 30.89090 -25.48220 2.66438 1.000 10.20747 N ? A ? 67 N 1
   ATOM 1608 CA . ALA A 68 ? 29.85511 -25.23428 1.67353 1.000 9.99933 C ? A ? 67 CA 1
   ATOM 1609 C . ALA A 68 ? 30.18452 -26.02091 0.39037 1.000 9.67265 C ? A ? 67 C 1
   ATOM 1610 O . ALA A 68 ? 31.30030 -25.93920 -0.13355 1.000 12.66066 O ? A ? 67 O 1
   ATOM 1611 CB . ALA A 68 ? 29.83019 -23.75614 1.33015 1.000 11.09380 C ? A ? 67 CB 1
   ATOM 1612 H . ALA A 68 ? 31.47879 -24.85727 2.72314 1.000 12.26282 H ? A ? 67 H 1
   ATOM 1613 HA . ALA A 68 ? 28.99208 -25.50944 2.02047 1.000 12.01305 H ? A ? 67 HA 1
   ATOM 1614 HB1 . ALA A 68 ? 29.17957 -23.60632 0.62648 1.000 13.32641 H ? A ? 67 HB1 1
   ATOM 1615 HB2 . ALA A 68 ? 29.58356 -23.25222 2.12144 1.000 13.32641 H ? A ? 67 HB2 1
   ATOM 1616 HB3 . ALA A 68 ? 30.71187 -23.48717 1.02818 1.000 13.32641 H ? A ? 67 HB3 1
   ATOM 1617 N . ARG A 69 ? 29.21601 -26.80853 -0.13315 1.000 10.49671 N ? A ? 68 N 1
   ATOM 1618 CA . ARG A 69 ? 29.47371 -27.52858 -1.39185 1.000 10.20340 C ? A ? 68 CA 1
   ATOM 1619 C . ARG A 69 ? 29.34417 -26.57574 -2.58607 1.000 10.59811 C ? A ? 68 C 1
   ATOM 1620 O . ARG A 69 ? 28.53456 -25.65420 -2.55471 1.000 10.73822 O ? A ? 68 O 1
   ATOM 1621 CB . ARG A 69 ? 28.46148 -28.65695 -1.54955 1.000 11.21933 C ? A ? 68 CB 1
   ATOM 1622 CG . ARG A 69 ? 28.68562 -29.76836 -0.56439 1.000 12.59401 C ? A ? 68 CG 1
   ATOM 1623 CD . ARG A 69 ? 27.79479 -30.96005 -0.84126 1.000 15.74481 C ? A ? 68 CD 1
   ATOM 1624 NE . ARG A 69 ? 27.95444 -32.02609 0.13336 1.000 26.12032 N ? A ? 68 NE 1
   ATOM 1625 CZ . ARG A 69 ? 28.61566 -33.16951 -0.04006 1.000 46.95606 C ? A ? 68 CZ 1
   ATOM 1626 NH1 . ARG A 69 ? 29.28421 -33.42949 -1.14443 1.000 54.66882 N ? A ? 68 NH1 1
   ATOM 1627 NH2 . ARG A 69 ? 28.55606 -34.10628 0.90573 1.000 46.88015 N ? A ? 68 NH2 1
   ATOM 1628 H . ARG A 69 ? 28.43742 -26.93370 0.20996 1.000 12.60991 H ? A ? 68 H 1
   ATOM 1629 HA . ARG A 69 ? 30.36996 -27.89949 -1.38455 1.000 12.25793 H ? A ? 68 HA 1
   ATOM 1630 HB2 . ARG A 69 ? 27.56892 -28.30419 -1.40887 1.000 13.47706 H ? A ? 68 HB2 1
   ATOM 1631 HB3 . ARG A 69 ? 28.53514 -29.02636 -2.44342 1.000 13.47706 H ? A ? 68 HB3 1
   ATOM 1632 HG2 . ARG A 69 ? 29.60870 -30.06150 -0.61822 1.000 15.12667 H ? A ? 68 HG2 1
   ATOM 1633 HG3 . ARG A 69 ? 28.49136 -29.44651 0.32980 1.000 15.12667 H ? A ? 68 HG3 1
   ATOM 1634 HD2 . ARG A 69 ? 26.86849 -30.67291 -0.82105 1.000 18.90763 H ? A ? 68 HD2 1
   ATOM 1635 HD3 . ARG A 69 ? 28.01166 -31.31962 -1.71567 1.000 18.90763 H ? A ? 68 HD3 1
   ATOM 1636 HE . ARG A 69 ? 27.58427 -31.90663 0.90037 1.000 31.35824 H ? A ? 68 HE 1
   ATOM 1637 HH11 . ARG A 69 ? 29.30307 -32.85225 -1.78164 1.000 65.61644 H ? A ? 68 HH11 1
   ATOM 1638 HH12 . ARG A 69 ? 29.70194 -34.17651 -1.22844 1.000 65.61644 H ? A ? 68 HH12 1
   ATOM 1639 HH21 . ARG A 69 ? 28.09442 -33.96918 1.61826 1.000 56.27003 H ? A ? 68 HH21 1
   ATOM 1640 HH22 . ARG A 69 ? 28.97923 -34.84796 0.80361 1.000 56.27003 H ? A ? 68 HH22 1
   ATOM 1641 N . PRO A 70 ? 30.11758 -26.82953 -3.65501 1.000 11.12282 N ? A ? 69 N 1
   ATOM 1642 CA . PRO A 70 ? 30.09620 -25.92715 -4.84837 1.000 10.89995 C ? A ? 69 CA 1
   ATOM 1643 C . PRO A 70 ? 28.75816 -25.85394 -5.54765 1.000 8.54623 C ? A ? 69 C 1
   ATOM 1644 O . PRO A 70 ? 28.47176 -24.84856 -6.20984 1.000 11.18635 O ? A ? 69 O 1
   ATOM 1645 CB . PRO A 70 ? 31.18764 -26.53296 -5.74498 1.000 11.64993 C ? A ? 69 CB 1
   ATOM 1646 CG . PRO A 70 ? 31.48397 -27.84440 -5.19812 1.000 13.66516 C ? A ? 69 CG 1
   ATOM 1647 CD . PRO A 70 ? 31.16735 -27.85053 -3.75131 1.000 12.82123 C ? A ? 69 CD 1
   ATOM 1648 HA . PRO A 70 ? 30.35208 -25.02690 -4.59346 1.000 13.09380 H ? A ? 69 HA 1
   ATOM 1649 HB2 . PRO A 70 ? 30.85673 -26.60790 -6.65370 1.000 13.99377 H ? A ? 69 HB2 1
   ATOM 1650 HB3 . PRO A 70 ? 31.97556 -25.96757 -5.72440 1.000 13.99377 H ? A ? 69 HB3 1
   ATOM 1651 HG2 . PRO A 70 ? 30.94347 -28.50543 -5.65834 1.000 16.41205 H ? A ? 69 HG2 1
   ATOM 1652 HG3 . PRO A 70 ? 32.42571 -28.03441 -5.33196 1.000 16.41205 H ? A ? 69 HG3 1
   ATOM 1653 HD2 . PRO A 70 ? 30.83686 -28.71812 -3.47030 1.000 15.39934 H ? A ? 69 HD2 1
   ATOM 1654 HD3 . PRO A 70 ? 31.94298 -27.60412 -3.22351 1.000 15.39934 H ? A ? 69 HD3 1
   ATOM 1655 N . GLU A 71 ? 27.91174 -26.85661 -5.37962 1.000 11.61298 N ? A ? 70 N 1
   ATOM 1656 CA . GLU A 71 ? 26.59909 -26.88736 -6.00036 1.000 11.72439 C ? A ? 70 CA 1
   ATOM 1657 C . GLU A 71 ? 25.69156 -25.79806 -5.44750 1.000 11.69610 C ? A ? 70 C 1
   ATOM 1658 O . GLU A 71 ? 24.70354 -25.44125 -6.10128 1.000 12.57647 O ? A ? 70 O 1
   ATOM 1659 CB . GLU A 71 ? 25.94560 -28.24530 -5.73067 1.000 17.44171 C ? A ? 70 CB 1
   ATOM 1660 CG . GLU A 71 ? 26.52932 -29.43131 -6.48912 1.000 19.96446 C ? A ? 70 CG 1
   ATOM 1661 CD . GLU A 71 ? 27.86411 -29.92858 -5.98079 1.000 26.17707 C ? A ? 70 CD 1
   ATOM 1662 OE1 . GLU A 71 ? 28.25242 -29.65293 -4.83289 1.000 34.36344 O ? A ? 70 OE1 1
   ATOM 1663 OE2 . GLU A 71 ? 28.56140 -30.56361 -6.79364 1.000 45.15965 O ? A ? 70 OE2 1
   ATOM 1664 H . GLU A 71 ? 28.07674 -27.55003 -4.89842 1.000 13.94943 H ? A ? 70 H 1
   ATOM 1665 HA . GLU A 71 ? 26.69638 -26.76212 -6.95731 1.000 14.08313 H ? A ? 70 HA 1
   ATOM 1666 HB2 . GLU A 71 ? 26.03164 -28.44022 -4.78436 1.000 20.94391 H ? A ? 70 HB2 1
   ATOM 1667 HB3 . GLU A 71 ? 25.00834 -28.18382 -5.97285 1.000 20.94391 H ? A ? 70 HB3 1
   ATOM 1668 HG2 . GLU A 71 ? 25.90389 -30.17042 -6.43044 1.000 23.97121 H ? A ? 70 HG2 1
   ATOM 1669 HG3 . GLU A 71 ? 26.65100 -29.17246 -7.41599 1.000 23.97121 H ? A ? 70 HG3 1
   ATOM 1670 N . ILE A 72 ? 26.01840 -25.25127 -4.27411 1.000 10.73147 N ? A ? 71 N 1
   ATOM 1671 CA . ILE A 72 ? 25.30021 -24.07008 -3.80133 1.000 11.03992 C ? A ? 71 CA 1
   ATOM 1672 C . ILE A 72 ? 25.28226 -23.00545 -4.90150 1.000 10.59019 C ? A ? 71 C 1
   ATOM 1673 O . ILE A 72 ? 24.27321 -22.31291 -5.11384 1.000 11.43735 O ? A ? 71 O 1
   ATOM 1674 CB . ILE A 72 ? 25.96899 -23.54831 -2.51885 1.000 9.58072 C ? A ? 71 CB 1
   ATOM 1675 CG1 . ILE A 72 ? 25.73676 -24.52843 -1.37077 1.000 9.37946 C ? A ? 71 CG1 1
   ATOM 1676 CG2 . ILE A 72 ? 25.49686 -22.16561 -2.18459 1.000 10.22372 C ? A ? 71 CG2 1
   ATOM 1677 CD1 . ILE A 72 ? 26.43705 -24.17850 -0.07234 1.000 9.88547 C ? A ? 71 CD1 1
   ATOM 1678 H . ILE A 72 ? 26.63535 -25.53792 -3.74798 1.000 12.89162 H ? A ? 71 H 1
   ATOM 1679 HA . ILE A 72 ? 24.38241 -24.30463 -3.59272 1.000 13.26176 H ? A ? 71 HA 1
   ATOM 1680 HB . ILE A 72 ? 26.92518 -23.48825 -2.67049 1.000 11.51072 H ? A ? 71 HB 1
   ATOM 1681 HG12 . ILE A 72 ? 24.78512 -24.56440 -1.18641 1.000 11.26921 H ? A ? 71 HG12 1
   ATOM 1682 HG13 . ILE A 72 ? 26.05479 -25.40273 -1.64527 1.000 11.26921 H ? A ? 71 HG13 1
   ATOM 1683 HG21 . ILE A 72 ? 25.78032 -21.94428 -1.28372 1.000 12.28232 H ? A ? 71 HG21 1
   ATOM 1684 HG22 . ILE A 72 ? 25.88289 -21.53878 -2.81622 1.000 12.28232 H ? A ? 71 HG22 1
   ATOM 1685 HG23 . ILE A 72 ? 24.52894 -22.13978 -2.24253 1.000 12.28232 H ? A ? 71 HG23 1
   ATOM 1686 HD11 . ILE A 72 ? 26.55211 -24.98636 0.45208 1.000 11.87642 H ? A ? 71 HD11 1
   ATOM 1687 HD12 . ILE A 72 ? 27.30229 -23.78968 -0.27503 1.000 11.87642 H ? A ? 71 HD12 1
   ATOM 1688 HD13 . ILE A 72 ? 25.89434 -23.54080 0.41726 1.000 11.87642 H ? A ? 71 HD13 1
   ATOM 1689 N . TRP A 73 ? 26.42475 -22.82767 -5.58817 1.000 11.72479 N ? A ? 72 N 1
   ATOM 1690 CA . TRP A 73 ? 26.57645 -21.78440 -6.59997 1.000 10.75838 C ? A ? 72 CA 1
   ATOM 1691 C . TRP A 73 ? 26.17194 -22.23742 -7.98583 1.000 12.11817 C ? A ? 72 C 1
   ATOM 1692 O . TRP A 73 ? 25.58914 -21.47158 -8.76087 1.000 15.95199 O ? A ? 72 O 1
   ATOM 1693 CB . TRP A 73 ? 28.04160 -21.28957 -6.64367 1.000 12.23105 C ? A ? 72 CB 1
   ATOM 1694 CG . TRP A 73 ? 28.40390 -20.50255 -5.42768 1.000 11.22902 C ? A ? 72 CG 1
   ATOM 1695 CD1 . TRP A 73 ? 28.32926 -19.13595 -5.29114 1.000 11.92688 C ? A ? 72 CD1 1
   ATOM 1696 CD2 . TRP A 73 ? 28.89926 -20.99866 -4.16399 1.000 10.36716 C ? A ? 72 CD2 1
   ATOM 1697 NE1 . TRP A 73 ? 28.72350 -18.78078 -4.02075 1.000 13.29383 N ? A ? 72 NE1 1
   ATOM 1698 CE2 . TRP A 73 ? 29.08800 -19.90168 -3.32201 1.000 10.30317 C ? A ? 72 CE2 1
   ATOM 1699 CE3 . TRP A 73 ? 29.20802 -22.26301 -3.68651 1.000 10.27919 C ? A ? 72 CE3 1
   ATOM 1700 CZ2 . TRP A 73 ? 29.55345 -20.03157 -2.01464 1.000 11.09862 C ? A ? 72 CZ2 1
   ATOM 1701 CZ3 . TRP A 73 ? 29.69020 -22.40571 -2.38718 1.000 11.42986 C ? A ? 72 CZ3 1
   ATOM 1702 CH2 . TRP A 73 ? 29.82690 -21.29126 -1.55406 1.000 8.96610 C ? A ? 72 CH2 1
   ATOM 1703 H . TRP A 73 ? 27.13052 -23.30711 -5.48035 1.000 14.08360 H ? A ? 72 H 1
   ATOM 1704 HA . TRP A 73 ? 26.00378 -21.04351 -6.34693 1.000 12.92391 H ? A ? 72 HA 1
   ATOM 1705 HB2 . TRP A 73 ? 28.63488 -22.05510 -6.69729 1.000 14.69111 H ? A ? 72 HB2 1
   ATOM 1706 HB3 . TRP A 73 ? 28.16272 -20.72093 -7.42012 1.000 14.69111 H ? A ? 72 HB3 1
   ATOM 1707 HD1 . TRP A 73 ? 28.05513 -18.54392 -5.95390 1.000 14.32611 H ? A ? 72 HD1 1
   ATOM 1708 HE1 . TRP A 73 ? 28.73868 -17.97796 -3.71277 1.000 15.96646 H ? A ? 72 HE1 1
   ATOM 1709 HE3 . TRP A 73 ? 29.09423 -23.00976 -4.22902 1.000 12.34888 H ? A ? 72 HE3 1
   ATOM 1710 HZ2 . TRP A 73 ? 29.67443 -19.28584 -1.47229 1.000 13.33220 H ? A ? 72 HZ2 1
   ATOM 1711 HZ3 . TRP A 73 ? 29.92298 -23.24897 -2.07153 1.000 13.72968 H ? A ? 72 HZ3 1
   ATOM 1712 HH2 . TRP A 73 ? 30.10742 -21.40738 -0.67501 1.000 10.77318 H ? A ? 72 HH2 1
   ATOM 1713 N . SER A 74 ? 26.48886 -23.47492 -8.34591 1.000 10.85033 N ? A ? 73 N 1
   ATOM 1714 CA . SER A 74 ? 26.17260 -23.89293 -9.69800 1.000 12.36489 C ? A ? 73 CA 1
   ATOM 1715 C . SER A 74 ? 24.68979 -24.21743 -9.84922 1.000 12.41604 C ? A ? 73 C 1
   ATOM 1716 O . SER A 74 ? 24.16786 -24.15043 -10.98137 1.000 16.70730 O ? A ? 73 O 1
   ATOM 1717 CB . SER A 74 ? 27.06850 -25.05452 -10.13063 1.000 16.22818 C ? A ? 73 CB 1
   ATOM 1718 OG . SER A 74 ? 26.89958 -26.18941 -9.33684 1.000 13.82428 O ? A ? 73 OG 1
   ATOM 1719 H . SER A 74 ? 26.86985 -24.06298 -7.84729 1.000 13.03425 H ? A ? 73 H 1
   ATOM 1720 HA . SER A 74 ? 26.36867 -23.17003 -10.31434 1.000 14.85173 H ? A ? 73 HA 1
   ATOM 1721 HB2 . SER A 74 ? 26.85300 -25.28501 -11.04787 1.000 19.48768 H ? A ? 73 HB2 1
   ATOM 1722 HB3 . SER A 74 ? 27.99373 -24.76990 -10.06868 1.000 19.48768 H ? A ? 73 HB3 1
   ATOM 1723 HG . SER A 74 ? 27.47757 -26.76629 -9.53366 1.000 16.60299 H ? A ? 73 HG 1
   ATOM 1724 N . ASP A 75 ? 24.02418 -24.66367 -8.75624 1.000 12.95755 N ? A ? 74 N 1
   ATOM 1725 CA . ASP A 75 ? 22.59537 -24.97434 -8.75428 1.000 14.92976 C ? A ? 74 CA 1
   ATOM 1726 C . ASP A 75 ? 21.91448 -23.90572 -7.89199 1.000 14.84611 C ? A ? 74 C 1
   ATOM 1727 O . ASP A 75 ? 21.26375 -24.20152 -6.88668 1.000 14.38916 O ? A ? 74 O 1
   ATOM 1728 CB . ASP A 75 ? 22.33645 -26.36074 -8.14065 1.000 15.58308 C ? A ? 74 CB 1
   ATOM 1729 CG . ASP A 75 ? 22.90228 -27.49909 -8.97184 1.000 15.87445 C ? A ? 74 CG 1
   ATOM 1730 OD1 . ASP A 75 ? 22.99319 -27.36835 -10.22168 1.000 19.34723 O ? A ? 74 OD1 1
   ATOM 1731 OD2 . ASP A 75 ? 23.24617 -28.53766 -8.41059 1.000 18.97336 O ? A ? 74 OD2 1
   ATOM 1732 H . ASP A 75 ? 24.39642 -24.79387 -7.99199 1.000 15.56291 H ? A ? 74 H 1
   ATOM 1733 HA . ASP A 75 ? 22.24065 -24.98775 -9.65700 1.000 17.92957 H ? A ? 74 HA 1
   ATOM 1734 HB2 . ASP A 75 ? 22.74934 -26.39835 -7.26372 1.000 18.71356 H ? A ? 74 HB2 1
   ATOM 1735 HB3 . ASP A 75 ? 21.37910 -26.49607 -8.06267 1.000 18.71356 H ? A ? 74 HB3 1
   ATOM 1736 N . ALA A 76 ? 22.07147 -22.63434 -8.29942 1.000 14.93818 N ? A ? 75 N 1
   ATOM 1737 CA . ALA A 76 ? 21.65267 -21.52885 -7.44598 1.000 14.07505 C ? A ? 75 CA 1
   ATOM 1738 C . ALA A 76 ? 20.15540 -21.56639 -7.17237 1.000 12.56681 C ? A ? 75 C 1
   ATOM 1739 O . ALA A 76 ? 19.71030 -21.26452 -6.05108 1.000 13.76616 O ? A ? 75 O 1
   ATOM 1740 CB . ALA A 76 ? 22.04762 -20.18763 -8.06360 1.000 16.90913 C ? A ? 75 CB 1
   ATOM 1741 H . ALA A 76 ? 22.41207 -22.39671 -9.05250 1.000 17.93967 H ? A ? 75 H 1
   ATOM 1742 HA . ALA A 76 ? 22.11636 -21.61334 -6.59819 1.000 16.90392 H ? A ? 75 HA 1
   ATOM 1743 HB1 . ALA A 76 ? 21.74647 -19.47156 -7.48271 1.000 20.30482 H ? A ? 75 HB1 1
   ATOM 1744 HB2 . ALA A 76 ? 23.01261 -20.15462 -8.15637 1.000 20.30482 H ? A ? 75 HB2 1
   ATOM 1745 HB3 . ALA A 76 ? 21.62859 -20.10541 -8.93455 1.000 20.30482 H ? A ? 75 HB3 1
   ATOM 1746 N . ALA A 77 ? 19.34809 -21.91672 -8.18366 1.000 15.14397 N ? A ? 76 N 1
   ATOM 1747 CA . ALA A 77 ? 17.89629 -21.91285 -7.98506 1.000 14.30359 C ? A ? 76 CA 1
   ATOM 1748 C . ALA A 77 ? 17.47619 -22.96234 -6.97348 1.000 15.42808 C ? A ? 76 C 1
   ATOM 1749 O . ALA A 77 ? 16.58653 -22.70250 -6.13044 1.000 14.81005 O ? A ? 76 O 1
   ATOM 1750 CB . ALA A 77 ? 17.18943 -22.13590 -9.33233 1.000 16.86654 C ? A ? 76 CB 1
   ATOM 1751 H . ALA A 77 ? 19.60872 -22.15283 -8.96847 1.000 18.18662 H ? A ? 76 H 1
   ATOM 1752 HA . ALA A 77 ? 17.62434 -21.04746 -7.64148 1.000 17.17816 H ? A ? 76 HA 1
   ATOM 1753 HB1 . ALA A 77 ? 16.23033 -22.14676 -9.18777 1.000 20.25371 H ? A ? 76 HB1 1
   ATOM 1754 HB2 . ALA A 77 ? 17.42484 -21.41390 -9.93581 1.000 20.25371 H ? A ? 76 HB2 1
   ATOM 1755 HB3 . ALA A 77 ? 17.47763 -22.98448 -9.70348 1.000 20.25371 H ? A ? 76 HB3 1
   ATOM 1756 N A SER A 78 ? 18.10541 -24.15105 -7.01857 0.191 14.68909 N ? A ? 77 N 1
   ATOM 1757 CA A SER A 78 ? 17.77917 -25.25289 -6.11146 0.191 14.25906 C ? A ? 77 CA 1
   ATOM 1758 C A SER A 78 ? 18.20504 -24.96064 -4.67083 0.191 13.08819 C ? A ? 77 C 1
   ATOM 1759 O A SER A 78 ? 17.62955 -25.52310 -3.72383 0.191 9.59941 O ? A ? 77 O 1
   ATOM 1760 CB A SER A 78 ? 18.48688 -26.54436 -6.55123 0.191 15.67441 C ? A ? 77 CB 1
   ATOM 1761 OG A SER A 78 ? 17.58101 -27.55155 -6.97932 0.191 19.14876 O ? A ? 77 OG 1
   ATOM 1762 H A SER A 78 ? 18.73287 -24.34320 -7.57442 0.191 17.64077 H ? A ? 77 H 1
   ATOM 1763 HA A SER A 78 ? 16.81789 -25.37707 -6.14909 0.191 17.12473 H ? A ? 77 HA 1
   ATOM 1764 HB2 A SER A 78 ? 19.08267 -26.33346 -7.28707 0.191 18.82315 H ? A ? 77 HB2 1
   ATOM 1765 HB3 A SER A 78 ? 18.99585 -26.88738 -5.80011 0.191 18.82315 H ? A ? 77 HB3 1
   ATOM 1766 HG A SER A 78 ? 16.99934 -27.68490 -6.38816 0.191 22.99237 H ? A ? 77 HG 1
   ATOM 1767 N B SER A 78 ? 18.08350 -24.15187 -7.02193 0.260 14.67983 N ? A ? 77 N 1
   ATOM 1768 CA B SER A 78 ? 17.75007 -25.20364 -6.06925 0.260 14.16859 C ? A ? 77 CA 1
   ATOM 1769 C B SER A 78 ? 18.20178 -24.85947 -4.64471 0.260 12.36676 C ? A ? 77 C 1
   ATOM 1770 O B SER A 78 ? 17.67138 -25.43351 -3.67747 0.260 10.49371 O ? A ? 77 O 1
   ATOM 1771 CB B SER A 78 ? 18.37652 -26.54609 -6.46465 0.260 15.01988 C ? A ? 77 CB 1
   ATOM 1772 OG B SER A 78 ? 17.68437 -27.16487 -7.53422 0.260 15.88341 O ? A ? 77 OG 1
   ATOM 1773 H B SER A 78 ? 18.68737 -24.37022 -7.59400 0.260 17.62965 H ? A ? 77 H 1
   ATOM 1774 HA B SER A 78 ? 16.78601 -25.30931 -6.08710 0.260 17.01617 H ? A ? 77 HA 1
   ATOM 1775 HB2 B SER A 78 ? 19.29465 -26.39193 -6.73700 0.260 18.03772 H ? A ? 77 HB2 1
   ATOM 1776 HB3 B SER A 78 ? 18.35327 -27.13773 -5.69633 0.260 18.03772 H ? A ? 77 HB3 1
   ATOM 1777 HG B SER A 78 ? 18.05329 -27.89313 -7.73207 0.260 19.07395 H ? A ? 77 HG 1
   ATOM 1778 N C SER A 78 ? 18.05459 -24.14397 -7.03850 0.549 14.83879 N ? A ? 77 N 1
   ATOM 1779 CA C SER A 78 ? 17.70911 -25.17694 -6.07908 0.549 14.31637 C ? A ? 77 CA 1
   ATOM 1780 C C SER A 78 ? 18.14495 -24.78744 -4.67355 0.549 12.68038 C ? A ? 77 C 1
   ATOM 1781 O C SER A 78 ? 17.33777 -24.81320 -3.74157 0.549 10.30584 O ? A ? 77 O 1
   ATOM 1782 CB C SER A 78 ? 18.36776 -26.46114 -6.49733 0.549 14.77989 C ? A ? 77 CB 1
   ATOM 1783 OG C SER A 78 ? 17.81922 -26.84402 -7.74102 0.549 15.11092 O ? A ? 77 OG 1
   ATOM 1784 H C SER A 78 ? 18.64421 -24.37386 -7.62082 0.549 17.82040 H ? A ? 77 H 1
   ATOM 1785 HA C SER A 78 ? 16.74704 -25.30020 -6.06771 0.549 17.19350 H ? A ? 77 HA 1
   ATOM 1786 HB2 C SER A 78 ? 19.32367 -26.32431 -6.58907 0.549 17.74972 H ? A ? 77 HB2 1
   ATOM 1787 HB3 C SER A 78 ? 18.19305 -27.14931 -5.83642 0.549 17.74972 H ? A ? 77 HB3 1
   ATOM 1788 HG C SER A 78 ? 18.04779 -26.29729 -8.33637 0.549 18.14697 H ? A ? 77 HG 1
   ATOM 1789 N A PHE A 79 ? 19.25113 -24.15002 -4.48553 0.191 10.99785 N ? A ? 78 N 1
   ATOM 1790 CA A PHE A 79 ? 19.65716 -23.75986 -3.13882 0.191 11.08459 C ? A ? 78 CA 1
   ATOM 1791 C A PHE A 79 ? 18.79531 -22.60596 -2.61987 0.191 10.10195 C ? A ? 78 C 1
   ATOM 1792 O A PHE A 79 ? 18.44579 -22.56321 -1.43498 0.191 8.03217 O ? A ? 78 O 1
   ATOM 1793 CB A PHE A 79 ? 21.15859 -23.42022 -3.13064 0.191 9.71159 C ? A ? 78 CB 1
   ATOM 1794 CG A PHE A 79 ? 21.69942 -23.08169 -1.76658 0.191 8.03813 C ? A ? 78 CG 1
   ATOM 1795 CD1 A PHE A 79 ? 22.06834 -24.07352 -0.86816 0.191 9.30373 C ? A ? 78 CD1 1
   ATOM 1796 CD2 A PHE A 79 ? 21.83491 -21.75943 -1.39328 0.191 7.80329 C ? A ? 78 CD2 1
   ATOM 1797 CE1 A PHE A 79 ? 22.56125 -23.74374 0.38677 0.191 8.43428 C ? A ? 78 CE1 1
   ATOM 1798 CE2 A PHE A 79 ? 22.32160 -21.42697 -0.15161 0.191 9.46927 C ? A ? 78 CE2 1
   ATOM 1799 CZ A PHE A 79 ? 22.68486 -22.41831 0.74224 0.191 8.70671 C ? A ? 78 CZ 1
   ATOM 1800 H A PHE A 79 ? 19.73391 -23.81827 -5.11519 0.191 13.21127 H ? A ? 78 H 1
   ATOM 1801 HA A PHE A 79 ? 19.53546 -24.50038 -2.52422 0.191 13.31537 H ? A ? 78 HA 1
   ATOM 1802 HB2 A PHE A 79 ? 21.65290 -24.18582 -3.46291 0.191 11.66777 H ? A ? 78 HB2 1
   ATOM 1803 HB3 A PHE A 79 ? 21.30766 -22.65383 -3.70624 0.191 11.66777 H ? A ? 78 HB3 1
   ATOM 1804 HD1 A PHE A 79 ? 21.98443 -24.96774 -1.10947 0.191 11.17833 H ? A ? 78 HD1 1
   ATOM 1805 HD2 A PHE A 79 ? 21.59429 -21.08647 -1.98836 0.191 9.37781 H ? A ? 78 HD2 1
   ATOM 1806 HE1 A PHE A 79 ? 22.80652 -24.41320 0.98391 0.191 10.13499 H ? A ? 78 HE1 1
   ATOM 1807 HE2 A PHE A 79 ? 22.40699 -20.53255 0.08843 0.191 11.37699 H ? A ? 78 HE2 1
   ATOM 1808 HZ A PHE A 79 ? 23.01222 -22.19033 1.58233 0.191 10.46191 H ? A ? 78 HZ 1
   ATOM 1809 N B PHE A 79 ? 19.20094 -23.97454 -4.49321 0.260 8.29573 N ? A ? 78 N 1
   ATOM 1810 CA B PHE A 79 ? 19.61717 -23.50576 -3.17534 0.260 8.36690 C ? A ? 78 CA 1
   ATOM 1811 C B PHE A 79 ? 18.77615 -22.32302 -2.68756 0.260 6.95541 C ? A ? 78 C 1
   ATOM 1812 O B PHE A 79 ? 18.36625 -22.31547 -1.53077 0.260 6.11428 O ? A ? 78 O 1
   ATOM 1813 CB B PHE A 79 ? 21.12691 -23.21358 -3.15453 0.260 10.61503 C ? A ? 78 CB 1
   ATOM 1814 CG B PHE A 79 ? 21.69612 -23.03737 -1.75737 0.260 8.16923 C ? A ? 78 CG 1
   ATOM 1815 CD1 B PHE A 79 ? 22.04262 -24.12483 -0.95400 0.260 9.60499 C ? A ? 78 CD1 1
   ATOM 1816 CD2 B PHE A 79 ? 21.89683 -21.75994 -1.27905 0.260 8.33869 C ? A ? 78 CD2 1
   ATOM 1817 CE1 B PHE A 79 ? 22.57775 -23.91724 0.32040 0.260 8.71387 C ? A ? 78 CE1 1
   ATOM 1818 CE2 B PHE A 79 ? 22.41194 -21.54511 -0.03447 0.260 9.64929 C ? A ? 78 CE2 1
   ATOM 1819 CZ B PHE A 79 ? 22.75122 -22.61703 0.77675 0.260 8.05446 C ? A ? 78 CZ 1
   ATOM 1820 H B PHE A 79 ? 19.64976 -23.63434 -5.14314 0.260 9.96874 H ? A ? 78 H 1
   ATOM 1821 HA B PHE A 79 ? 19.48582 -24.21287 -2.52447 0.260 10.05413 H ? A ? 78 HA 1
   ATOM 1822 HB2 B PHE A 79 ? 21.59371 -23.95356 -3.57337 0.260 12.75190 H ? A ? 78 HB2 1
   ATOM 1823 HB3 B PHE A 79 ? 21.29307 -22.39486 -3.64747 0.260 12.75190 H ? A ? 78 HB3 1
   ATOM 1824 HD1 B PHE A 79 ? 21.91691 -24.99116 -1.26797 0.260 11.53984 H ? A ? 78 HD1 1
   ATOM 1825 HD2 B PHE A 79 ? 21.67712 -21.03193 -1.81442 0.260 10.02029 H ? A ? 78 HD2 1
   ATOM 1826 HE1 B PHE A 79 ? 22.81447 -24.64004 0.85559 0.260 10.47050 H ? A ? 78 HE1 1
   ATOM 1827 HE2 B PHE A 79 ? 22.53614 -20.67566 0.27134 0.260 11.59301 H ? A ? 78 HE2 1
   ATOM 1828 HZ B PHE A 79 ? 23.09531 -22.46526 1.62732 0.260 9.67921 H ? A ? 78 HZ 1
   ATOM 1829 N C PHE A 79 ? 19.43014 -24.44285 -4.49157 0.549 11.78679 N ? A ? 78 N 1
   ATOM 1830 CA C PHE A 79 ? 19.84085 -23.93228 -3.18793 0.549 10.69364 C ? A ? 78 CA 1
   ATOM 1831 C C PHE A 79 ? 18.77212 -22.98225 -2.63829 0.549 10.75049 C ? A ? 78 C 1
   ATOM 1832 O C PHE A 79 ? 18.35198 -23.06158 -1.47946 0.549 10.11343 O ? A ? 78 O 1
   ATOM 1833 CB C PHE A 79 ? 21.14777 -23.11735 -3.30595 0.549 8.97355 C ? A ? 78 CB 1
   ATOM 1834 CG C PHE A 79 ? 21.68704 -22.68665 -1.94911 0.549 9.78199 C ? A ? 78 CG 1
   ATOM 1835 CD1 C PHE A 79 ? 22.06299 -23.66986 -1.04625 0.549 8.30538 C ? A ? 78 CD1 1
   ATOM 1836 CD2 C PHE A 79 ? 21.76509 -21.36589 -1.56844 0.549 10.34029 C ? A ? 78 CD2 1
   ATOM 1837 CE1 C PHE A 79 ? 22.52610 -23.31787 0.22244 0.549 7.26113 C ? A ? 78 CE1 1
   ATOM 1838 CE2 C PHE A 79 ? 22.24690 -21.02092 -0.30078 0.549 9.80373 C ? A ? 78 CE2 1
   ATOM 1839 CZ C PHE A 79 ? 22.62555 -22.00230 0.57958 0.549 8.11205 C ? A ? 78 CZ 1
   ATOM 1840 H C PHE A 79 ? 20.05106 -24.49520 -5.08429 0.549 14.15800 H ? A ? 78 H 1
   ATOM 1841 HA C PHE A 79 ? 19.98447 -24.69124 -2.60120 0.549 12.84622 H ? A ? 78 HA 1
   ATOM 1842 HB2 C PHE A 79 ? 21.82297 -23.66187 -3.74012 0.549 10.78212 H ? A ? 78 HB2 1
   ATOM 1843 HB3 C PHE A 79 ? 20.97762 -22.31924 -3.83033 0.549 10.78212 H ? A ? 78 HB3 1
   ATOM 1844 HD1 C PHE A 79 ? 22.00635 -24.56640 -1.28687 0.549 9.98031 H ? A ? 78 HD1 1
   ATOM 1845 HD2 C PHE A 79 ? 21.49585 -20.69862 -2.15764 0.549 12.42220 H ? A ? 78 HD2 1
   ATOM 1846 HE1 C PHE A 79 ? 22.76810 -23.98140 0.82748 0.549 8.72721 H ? A ? 78 HE1 1
   ATOM 1847 HE2 C PHE A 79 ? 22.31039 -20.12620 -0.05515 0.549 11.77834 H ? A ? 78 HE2 1
   ATOM 1848 HZ C PHE A 79 ? 22.95021 -21.77234 1.42018 0.549 9.74832 H ? A ? 78 HZ 1
   ATOM 1849 N A LYS A 80 ? 18.41059 -21.66988 -3.49621 0.191 10.43166 N ? A ? 79 N 1
   ATOM 1850 CA A LYS A 80 ? 17.48226 -20.62119 -3.08204 0.191 11.48646 C ? A ? 79 CA 1
   ATOM 1851 C A LYS A 80 ? 16.17757 -21.19453 -2.53666 0.191 11.92684 C ? A ? 79 C 1
   ATOM 1852 O A LYS A 80 ? 15.50341 -20.52063 -1.74847 0.191 8.39144 O ? A ? 79 O 1
   ATOM 1853 CB A LYS A 80 ? 17.23040 -19.63147 -4.22991 0.191 14.39059 C ? A ? 79 CB 1
   ATOM 1854 CG A LYS A 80 ? 16.65382 -18.29997 -3.78453 0.191 17.12611 C ? A ? 79 CG 1
   ATOM 1855 CD A LYS A 80 ? 16.59737 -17.33027 -4.94361 0.191 23.06088 C ? A ? 79 CD 1
   ATOM 1856 CE A LYS A 80 ? 16.07918 -15.97330 -4.50204 0.191 25.18265 C ? A ? 79 CE 1
   ATOM 1857 NZ A LYS A 80 ? 15.83452 -15.06472 -5.65720 0.191 25.83993 N ? A ? 79 NZ 1
   ATOM 1858 H A LYS A 80 ? 18.66803 -21.62363 -4.31548 0.191 12.53185 H ? A ? 79 H 1
   ATOM 1859 HA A LYS A 80 ? 17.88783 -20.10654 -2.36681 0.191 13.79761 H ? A ? 79 HA 1
   ATOM 1860 HB2 A LYS A 80 ? 18.07274 -19.45324 -4.67666 0.191 17.28257 H ? A ? 79 HB2 1
   ATOM 1861 HB3 A LYS A 80 ? 16.60280 -20.03101 -4.85231 0.191 17.28257 H ? A ? 79 HB3 1
   ATOM 1862 HG2 A LYS A 80 ? 15.75353 -18.43205 -3.44848 0.191 20.56519 H ? A ? 79 HG2 1
   ATOM 1863 HG3 A LYS A 80 ? 17.21443 -17.91917 -3.09055 0.191 20.56519 H ? A ? 79 HG3 1
   ATOM 1864 HD2 A LYS A 80 ? 17.48812 -17.21321 -5.30934 0.191 27.68692 H ? A ? 79 HD2 1
   ATOM 1865 HD3 A LYS A 80 ? 16.00172 -17.67788 -5.62570 0.191 27.68692 H ? A ? 79 HD3 1
   ATOM 1866 HE2 A LYS A 80 ? 15.24180 -16.09086 -4.02679 0.191 30.23304 H ? A ? 79 HE2 1
   ATOM 1867 HE3 A LYS A 80 ? 16.73424 -15.55518 -3.92155 0.191 30.23304 H ? A ? 79 HE3 1
   ATOM 1868 HZ1 A LYS A 80 ? 16.00968 -14.22351 -5.42525 0.191 31.02178 H ? A ? 79 HZ1 1
   ATOM 1869 HZ2 A LYS A 80 ? 16.35929 -15.29150 -6.33932 0.191 31.02178 H ? A ? 79 HZ2 1
   ATOM 1870 HZ3 A LYS A 80 ? 14.98463 -15.12224 -5.91504 0.191 31.02178 H ? A ? 79 HZ3 1
   ATOM 1871 N B LYS A 80 ? 18.45601 -21.33076 -3.54549 0.260 6.04832 N ? A ? 79 N 1
   ATOM 1872 CA B LYS A 80 ? 17.54330 -20.27190 -3.11679 0.260 6.68053 C ? A ? 79 CA 1
   ATOM 1873 C B LYS A 80 ? 16.17479 -20.83529 -2.73238 0.260 7.40631 C ? A ? 79 C 1
   ATOM 1874 O B LYS A 80 ? 15.58250 -20.41281 -1.73409 0.260 7.92363 O ? A ? 79 O 1
   ATOM 1875 CB B LYS A 80 ? 17.38931 -19.22007 -4.21018 0.260 9.74132 C ? A ? 79 CB 1
   ATOM 1876 CG B LYS A 80 ? 16.59943 -18.02740 -3.77142 0.260 15.99519 C ? A ? 79 CG 1
   ATOM 1877 CD B LYS A 80 ? 16.59152 -16.99560 -4.85270 0.260 22.22599 C ? A ? 79 CD 1
   ATOM 1878 CE B LYS A 80 ? 15.78377 -15.79107 -4.42689 0.260 24.72931 C ? A ? 79 CE 1
   ATOM 1879 NZ B LYS A 80 ? 15.62329 -14.79485 -5.51810 0.260 25.69434 N ? A ? 79 NZ 1
   ATOM 1880 H B LYS A 80 ? 18.74766 -21.25735 -4.35119 0.260 7.27184 H ? A ? 79 H 1
   ATOM 1881 HA B LYS A 80 ? 17.92681 -19.84073 -2.33711 0.260 8.03049 H ? A ? 79 HA 1
   ATOM 1882 HB2 B LYS A 80 ? 18.26990 -18.91342 -4.47744 0.260 11.70345 H ? A ? 79 HB2 1
   ATOM 1883 HB3 B LYS A 80 ? 16.93280 -19.61865 -4.96756 0.260 11.70345 H ? A ? 79 HB3 1
   ATOM 1884 HG2 B LYS A 80 ? 15.68457 -18.29101 -3.58581 0.260 19.20809 H ? A ? 79 HG2 1
   ATOM 1885 HG3 B LYS A 80 ? 17.00156 -17.64280 -2.97689 0.260 19.20809 H ? A ? 79 HG3 1
   ATOM 1886 HD2 B LYS A 80 ? 17.50007 -16.70962 -5.03617 0.260 26.68505 H ? A ? 79 HD2 1
   ATOM 1887 HD3 B LYS A 80 ? 16.19253 -17.36781 -5.65468 0.260 26.68505 H ? A ? 79 HD3 1
   ATOM 1888 HE2 B LYS A 80 ? 14.89974 -16.08279 -4.15433 0.260 29.68903 H ? A ? 79 HE2 1
   ATOM 1889 HE3 B LYS A 80 ? 16.23235 -15.35480 -3.68571 0.260 29.68903 H ? A ? 79 HE3 1
   ATOM 1890 HZ1 B LYS A 80 ? 15.61040 -13.97189 -5.17948 0.260 30.84707 H ? A ? 79 HZ1 1
   ATOM 1891 HZ2 B LYS A 80 ? 16.30027 -14.86042 -6.09212 0.260 30.84707 H ? A ? 79 HZ2 1
   ATOM 1892 HZ3 B LYS A 80 ? 14.86059 -14.94014 -5.95317 0.260 30.84707 H ? A ? 79 HZ3 1
   ATOM 1893 N C LYS A 80 ? 18.39893 -22.01992 -3.48644 0.549 10.16501 N ? A ? 79 N 1
   ATOM 1894 CA C LYS A 80 ? 17.50048 -20.94543 -3.07709 0.549 10.75905 C ? A ? 79 CA 1
   ATOM 1895 C C LYS A 80 ? 16.13752 -21.47627 -2.67343 0.549 12.06315 C ? A ? 79 C 1
   ATOM 1896 O C LYS A 80 ? 15.52682 -20.98237 -1.72861 0.549 10.40733 O ? A ? 79 O 1
   ATOM 1897 CB C LYS A 80 ? 17.35169 -19.89894 -4.19283 0.549 14.18904 C ? A ? 79 CB 1
   ATOM 1898 CG C LYS A 80 ? 16.43360 -18.68981 -3.84050 0.549 17.53175 C ? A ? 79 CG 1
   ATOM 1899 CD C LYS A 80 ? 16.44964 -17.53905 -4.83711 0.549 24.24222 C ? A ? 79 CD 1
   ATOM 1900 CE C LYS A 80 ? 15.49828 -16.44527 -4.34318 0.549 28.26645 C ? A ? 79 CE 1
   ATOM 1901 NZ C LYS A 80 ? 15.44918 -16.41339 -2.85416 0.549 37.03122 N ? A ? 79 NZ 1
   ATOM 1902 H C LYS A 80 ? 18.65358 -21.96779 -4.30622 0.549 12.21187 H ? A ? 79 H 1
   ATOM 1903 HA C LYS A 80 ? 17.89648 -20.50683 -2.30785 0.549 12.92471 H ? A ? 79 HA 1
   ATOM 1904 HB2 C LYS A 80 ? 18.23057 -19.54594 -4.40228 0.549 17.04071 H ? A ? 79 HB2 1
   ATOM 1905 HB3 C LYS A 80 ? 16.97407 -20.33357 -4.97346 0.549 17.04071 H ? A ? 79 HB3 1
   ATOM 1906 HG2 C LYS A 80 ? 15.51885 -19.00736 -3.78305 0.549 21.05196 H ? A ? 79 HG2 1
   ATOM 1907 HG3 C LYS A 80 ? 16.71498 -18.33198 -2.98395 0.549 21.05196 H ? A ? 79 HG3 1
   ATOM 1908 HD2 C LYS A 80 ? 17.34495 -17.17211 -4.90546 0.549 29.10452 H ? A ? 79 HD2 1
   ATOM 1909 HD3 C LYS A 80 ? 16.15089 -17.84904 -5.70633 0.549 29.10452 H ? A ? 79 HD3 1
   ATOM 1910 HE2 C LYS A 80 ? 15.80709 -15.58166 -4.65896 0.549 33.93360 H ? A ? 79 HE2 1
   ATOM 1911 HE3 C LYS A 80 ? 14.60423 -16.62004 -4.67639 0.549 33.93360 H ? A ? 79 HE3 1
   ATOM 1912 HZ1 C LYS A 80 ? 15.02694 -15.67977 -2.57916 0.549 44.45132 H ? A ? 79 HZ1 1
   ATOM 1913 HZ2 C LYS A 80 ? 15.01551 -17.12796 -2.54853 0.549 44.45132 H ? A ? 79 HZ2 1
   ATOM 1914 HZ3 C LYS A 80 ? 16.27499 -16.41289 -2.52231 0.549 44.45132 H ? A ? 79 HZ3 1
   ATOM 1915 N A GLN A 81 ? 15.81955 -22.43013 -2.91879 0.191 11.11478 N ? A ? 80 N 1
   ATOM 1916 CA A GLN A 81 ? 14.58669 -23.05084 -2.45544 0.191 15.78836 C ? A ? 80 CA 1
   ATOM 1917 C A GLN A 81 ? 14.79857 -23.96416 -1.26398 0.191 12.75323 C ? A ? 80 C 1
   ATOM 1918 O A GLN A 81 ? 13.82289 -24.37550 -0.61648 0.191 6.93872 O ? A ? 80 O 1
   ATOM 1919 CB A GLN A 81 ? 14.01529 -24.00871 -3.48420 0.191 17.10947 C ? A ? 80 CB 1
   ATOM 1920 CG A GLN A 81 ? 13.79313 -23.52168 -4.81012 0.191 18.15459 C ? A ? 80 CG 1
   ATOM 1921 CD A GLN A 81 ? 13.38032 -24.68551 -5.61486 0.191 19.12690 C ? A ? 80 CD 1
   ATOM 1922 OE1 A GLN A 81 ? 13.09963 -25.75801 -5.05591 0.191 20.18325 O ? A ? 80 OE1 1
   ATOM 1923 NE2 A GLN A 81 ? 13.36053 -24.52664 -6.92693 0.191 21.37604 N ? A ? 80 NE2 1
   ATOM 1924 H A GLN A 81 ? 16.28161 -22.92532 -3.44878 0.191 13.35159 H ? A ? 80 H 1
   ATOM 1925 HA A GLN A 81 ? 13.97725 -22.31861 -2.27292 0.191 18.95989 H ? A ? 80 HA 1
   ATOM 1926 HB2 A GLN A 81 ? 14.62817 -24.75644 -3.56278 0.191 20.54522 H ? A ? 80 HB2 1
   ATOM 1927 HB3 A GLN A 81 ? 13.15656 -24.31682 -3.15473 0.191 20.54522 H ? A ? 80 HB3 1
   ATOM 1928 HG2 A GLN A 81 ? 13.08850 -22.85506 -4.81438 0.191 21.79936 H ? A ? 80 HG2 1
   ATOM 1929 HG3 A GLN A 81 ? 14.60876 -23.14462 -5.17546 0.191 21.79936 H ? A ? 80 HG3 1
   ATOM 1930 HE21 A GLN A 81 ? 13.58220 -23.77070 -7.27193 0.191 25.66511 H ? A ? 80 HE21 1
   ATOM 1931 HE22 A GLN A 81 ? 13.12599 -25.17921 -7.43560 0.191 25.66511 H ? A ? 80 HE22 1
   ATOM 1932 N B GLN A 81 ? 15.66127 -21.80227 -3.49703 0.260 4.66825 N ? A ? 80 N 1
   ATOM 1933 CA B GLN A 81 ? 14.41106 -22.44673 -3.11489 0.260 3.31069 C ? A ? 80 CA 1
   ATOM 1934 C B GLN A 81 ? 14.48345 -23.03515 -1.71258 0.260 6.84313 C ? A ? 80 C 1
   ATOM 1935 O B GLN A 81 ? 13.53858 -22.88732 -0.93181 0.260 5.22356 O ? A ? 80 O 1
   ATOM 1936 CB B GLN A 81 ? 14.05129 -23.56664 -4.09141 0.260 4.00223 C ? A ? 80 CB 1
   ATOM 1937 CG B GLN A 81 ? 13.28992 -23.15232 -5.31257 0.260 17.29982 C ? A ? 80 CG 1
   ATOM 1938 CD B GLN A 81 ? 11.83955 -22.86265 -5.02162 0.260 20.33526 C ? A ? 80 CD 1
   ATOM 1939 OE1 B GLN A 81 ? 11.24609 -23.45699 -4.13284 0.260 18.50477 O ? A ? 80 OE1 1
   ATOM 1940 NE2 B GLN A 81 ? 11.26683 -21.92268 -5.75571 0.260 22.62403 N ? A ? 80 NE2 1
   ATOM 1941 H B GLN A 81 ? 16.01182 -22.09514 -4.22569 0.260 5.61576 H ? A ? 80 H 1
   ATOM 1942 HA B GLN A 81 ? 13.72175 -21.76492 -3.14461 0.260 3.98668 H ? A ? 80 HA 1
   ATOM 1943 HB2 B GLN A 81 ? 14.87441 -23.98131 -4.39376 0.260 4.81653 H ? A ? 80 HB2 1
   ATOM 1944 HB3 B GLN A 81 ? 13.50615 -24.21613 -3.62036 0.260 4.81653 H ? A ? 80 HB3 1
   ATOM 1945 HG2 B GLN A 81 ? 13.68985 -22.34722 -5.67694 0.260 20.77364 H ? A ? 80 HG2 1
   ATOM 1946 HG3 B GLN A 81 ? 13.32808 -23.86720 -5.96708 0.260 20.77364 H ? A ? 80 HG3 1
   ATOM 1947 HE21 B GLN A 81 ? 11.72071 -21.51345 -6.36079 0.260 27.16270 H ? A ? 80 HE21 1
   ATOM 1948 HE22 B GLN A 81 ? 10.44068 -21.72091 -5.62779 0.260 27.16270 H ? A ? 80 HE22 1
   ATOM 1949 N C GLN A 81 ? 15.62929 -22.47253 -3.38870 0.549 9.50816 N ? A ? 80 N 1
   ATOM 1950 CA C GLN A 81 ? 14.37717 -23.08223 -2.97743 0.549 9.34986 C ? A ? 80 CA 1
   ATOM 1951 C C GLN A 81 ? 14.49793 -23.58558 -1.55426 0.549 11.92890 C ? A ? 80 C 1
   ATOM 1952 O C GLN A 81 ? 13.61859 -23.35230 -0.71804 0.549 10.93769 O ? A ? 80 O 1
   ATOM 1953 CB C GLN A 81 ? 14.07456 -24.25194 -3.91784 0.549 12.03571 C ? A ? 80 CB 1
   ATOM 1954 CG C GLN A 81 ? 13.29580 -23.88757 -5.13305 0.549 16.23822 C ? A ? 80 CG 1
   ATOM 1955 CD C GLN A 81 ? 12.13465 -22.95417 -4.87881 0.549 19.51792 C ? A ? 80 CD 1
   ATOM 1956 OE1 C GLN A 81 ? 12.18337 -21.78573 -5.24108 0.549 25.18358 O ? A ? 80 OE1 1
   ATOM 1957 NE2 C GLN A 81 ? 11.11442 -23.44733 -4.21270 0.549 18.13769 N ? A ? 80 NE2 1
   ATOM 1958 H C GLN A 81 ? 15.98239 -22.80498 -4.09891 0.549 11.42365 H ? A ? 80 H 1
   ATOM 1959 HA C GLN A 81 ? 13.65423 -22.43731 -3.02588 0.549 11.23368 H ? A ? 80 HA 1
   ATOM 1960 HB2 C GLN A 81 ? 14.91522 -24.63500 -4.21357 0.549 14.45671 H ? A ? 80 HB2 1
   ATOM 1961 HB3 C GLN A 81 ? 13.56137 -24.91483 -3.42987 0.549 14.45671 H ? A ? 80 HB3 1
   ATOM 1962 HG2 C GLN A 81 ? 13.89069 -23.44944 -5.76157 0.549 19.49973 H ? A ? 80 HG2 1
   ATOM 1963 HG3 C GLN A 81 ? 12.93779 -24.69912 -5.52562 0.549 19.49973 H ? A ? 80 HG3 1
   ATOM 1964 HE21 C GLN A 81 ? 11.13020 -24.26444 -3.94496 0.549 21.77909 H ? A ? 80 HE21 1
   ATOM 1965 HE22 C GLN A 81 ? 10.43115 -22.95287 -4.04462 0.549 21.77909 H ? A ? 80 HE22 1
   ATOM 1966 N A LYS A 82 ? 16.01356 -24.46598 -1.09961 0.191 10.21218 N ? A ? 81 N 1
   ATOM 1967 CA A LYS A 82 ? 16.37654 -24.94875 0.21732 0.191 10.91987 C ? A ? 81 CA 1
   ATOM 1968 C A LYS A 82 ? 16.27341 -23.83068 1.27367 0.191 11.91347 C ? A ? 81 C 1
   ATOM 1969 O A LYS A 82 ? 15.81421 -24.12787 2.38219 0.191 8.95175 O ? A ? 81 O 1
   ATOM 1970 CB A LYS A 82 ? 17.72422 -25.68109 0.17147 0.191 9.90417 C ? A ? 81 CB 1
   ATOM 1971 CG A LYS A 82 ? 17.67225 -26.91353 -0.72889 0.191 16.20686 C ? A ? 81 CG 1
   ATOM 1972 CD A LYS A 82 ? 18.07192 -28.17066 0.01130 0.191 17.82578 C ? A ? 81 CD 1
   ATOM 1973 CE A LYS A 82 ? 17.09827 -29.31715 -0.25865 0.191 17.15515 C ? A ? 81 CE 1
   ATOM 1974 NZ A LYS A 82 ? 16.96174 -29.67171 -1.70248 0.191 14.22869 N ? A ? 81 NZ 1
   ATOM 1975 H A LYS A 82 ? 16.61790 -24.53450 -1.70763 0.191 12.26847 H ? A ? 81 H 1
   ATOM 1976 HA A LYS A 82 ? 15.75177 -25.62884 0.51404 0.191 13.11770 H ? A ? 81 HA 1
   ATOM 1977 HB2 A LYS A 82 ? 18.40227 -25.08001 -0.17473 0.191 11.89886 H ? A ? 81 HB2 1
   ATOM 1978 HB3 A LYS A 82 ? 17.96167 -25.96855 1.06695 0.191 11.89886 H ? A ? 81 HB3 1
   ATOM 1979 HG2 A LYS A 82 ? 16.76758 -27.03063 -1.05870 0.191 19.46209 H ? A ? 81 HG2 1
   ATOM 1980 HG3 A LYS A 82 ? 18.28333 -26.79232 -1.47239 0.191 19.46209 H ? A ? 81 HG3 1
   ATOM 1981 HD2 A LYS A 82 ? 18.95523 -28.44684 -0.27919 0.191 21.40479 H ? A ? 81 HD2 1
   ATOM 1982 HD3 A LYS A 82 ? 18.07659 -27.99362 0.96499 0.191 21.40479 H ? A ? 81 HD3 1
   ATOM 1983 HE2 A LYS A 82 ? 17.40976 -30.10713 0.21018 0.191 20.60004 H ? A ? 81 HE2 1
   ATOM 1984 HE3 A LYS A 82 ? 16.22032 -29.06313 0.06628 0.191 20.60004 H ? A ? 81 HE3 1
   ATOM 1985 HZ1 A LYS A 82 ? 17.62565 -30.21142 -1.94749 0.191 17.08829 H ? A ? 81 HZ1 1
   ATOM 1986 HZ2 A LYS A 82 ? 16.18640 -30.08573 -1.84226 0.191 17.08829 H ? A ? 81 HZ2 1
   ATOM 1987 HZ3 A LYS A 82 ? 16.98966 -28.93484 -2.20083 0.191 17.08829 H ? A ? 81 HZ3 1
   ATOM 1988 N B LYS A 82 ? 15.58958 -23.72821 -1.37978 0.260 7.04110 N ? A ? 81 N 1
   ATOM 1989 CA B LYS A 82 ? 15.60762 -24.45889 -0.10959 0.260 9.16632 C ? A ? 81 CA 1
   ATOM 1990 C B LYS A 82 ? 15.70511 -23.50160 1.05449 0.260 8.34457 C ? A ? 81 C 1
   ATOM 1991 O B LYS A 82 ? 15.02910 -23.65456 2.07502 0.260 6.10178 O ? A ? 81 O 1
   ATOM 1992 CB B LYS A 82 ? 16.79043 -25.42087 -0.03541 0.260 13.79710 C ? A ? 81 CB 1
   ATOM 1993 CG B LYS A 82 ? 16.56337 -26.75956 -0.74119 0.260 7.85885 C ? A ? 81 CG 1
   ATOM 1994 CD B LYS A 82 ? 17.73199 -27.74925 -0.50664 0.260 12.11081 C ? A ? 81 CD 1
   ATOM 1995 CE B LYS A 82 ? 17.30519 -29.23020 -0.51040 0.260 15.10351 C ? A ? 81 CE 1
   ATOM 1996 NZ B LYS A 82 ? 16.85532 -29.79590 -1.82098 0.260 13.32292 N ? A ? 81 NZ 1
   ATOM 1997 H B LYS A 82 ? 16.30583 -23.78563 -1.85233 0.260 8.46317 H ? A ? 81 H 1
   ATOM 1998 HA B LYS A 82 ? 14.78735 -24.97417 -0.05918 0.260 11.01344 H ? A ? 81 HA 1
   ATOM 1999 HB2 B LYS A 82 ? 17.55917 -24.99801 -0.44909 0.260 16.57037 H ? A ? 81 HB2 1
   ATOM 2000 HB3 B LYS A 82 ? 16.97753 -25.60933 0.89753 0.260 16.57037 H ? A ? 81 HB3 1
   ATOM 2001 HG2 B LYS A 82 ? 15.75078 -27.16555 -0.40095 0.260 9.44448 H ? A ? 81 HG2 1
   ATOM 2002 HG3 B LYS A 82 ? 16.48356 -26.60716 -1.69581 0.260 9.44448 H ? A ? 81 HG3 1
   ATOM 2003 HD2 B LYS A 82 ? 18.38838 -27.62984 -1.21076 0.260 14.54683 H ? A ? 81 HD2 1
   ATOM 2004 HD3 B LYS A 82 ? 18.13287 -27.56018 0.35617 0.260 14.54683 H ? A ? 81 HD3 1
   ATOM 2005 HE2 B LYS A 82 ? 18.06132 -29.76233 -0.21713 0.260 18.13807 H ? A ? 81 HE2 1
   ATOM 2006 HE3 B LYS A 82 ? 16.56686 -29.33248 0.11032 0.260 18.13807 H ? A ? 81 HE3 1
   ATOM 2007 HZ1 B LYS A 82 ? 16.03659 -30.13556 -1.74094 0.260 16.00136 H ? A ? 81 HZ1 1
   ATOM 2008 HZ2 B LYS A 82 ? 16.84366 -29.15693 -2.44040 0.260 16.00136 H ? A ? 81 HZ2 1
   ATOM 2009 HZ3 B LYS A 82 ? 17.41122 -30.44037 -2.08124 0.260 16.00136 H ? A ? 81 HZ3 1
   ATOM 2010 N C LYS A 82 ? 15.64830 -24.18432 -1.23203 0.549 12.50600 N ? A ? 81 N 1
   ATOM 2011 CA C LYS A 82 ? 15.78580 -24.72770 0.10529 0.549 10.36906 C ? A ? 81 CA 1
   ATOM 2012 C C LYS A 82 ? 15.87230 -23.65954 1.18641 0.549 10.14205 C ? A ? 81 C 1
   ATOM 2013 O C LYS A 82 ? 15.31552 -23.85481 2.26929 0.549 10.79275 O ? A ? 81 O 1
   ATOM 2014 CB C LYS A 82 ? 16.95619 -25.68861 0.17461 0.549 12.71855 C ? A ? 81 CB 1
   ATOM 2015 CG C LYS A 82 ? 16.52225 -27.09021 -0.14225 0.549 19.11246 C ? A ? 81 CG 1
   ATOM 2016 CD C LYS A 82 ? 17.68278 -28.02950 0.06316 0.549 11.58371 C ? A ? 81 CD 1
   ATOM 2017 CE C LYS A 82 ? 17.32035 -29.49288 0.00421 0.549 17.76111 C ? A ? 81 CE 1
   ATOM 2018 NZ C LYS A 82 ? 16.70189 -29.95304 -1.28115 0.549 14.11666 N ? A ? 81 NZ 1
   ATOM 2019 H C LYS A 82 ? 16.32820 -24.28095 -1.74972 0.549 15.02105 H ? A ? 81 H 1
   ATOM 2020 HA C LYS A 82 ? 14.97929 -25.23239 0.29430 0.549 12.45673 H ? A ? 81 HA 1
   ATOM 2021 HB2 C LYS A 82 ? 17.63043 -25.42223 -0.46986 0.549 15.27611 H ? A ? 81 HB2 1
   ATOM 2022 HB3 C LYS A 82 ? 17.32990 -25.67722 1.06965 0.549 15.27611 H ? A ? 81 HB3 1
   ATOM 2023 HG2 C LYS A 82 ? 15.79796 -27.35228 0.44735 0.549 22.94881 H ? A ? 81 HG2 1
   ATOM 2024 HG3 C LYS A 82 ? 16.23377 -27.14492 -1.06675 0.549 22.94881 H ? A ? 81 HG3 1
   ATOM 2025 HD2 C LYS A 82 ? 18.34197 -27.86363 -0.62884 0.549 13.91430 H ? A ? 81 HD2 1
   ATOM 2026 HD3 C LYS A 82 ? 18.06863 -27.85900 0.93663 0.549 13.91430 H ? A ? 81 HD3 1
   ATOM 2027 HE2 C LYS A 82 ? 18.12783 -30.01347 0.13785 0.549 21.32719 H ? A ? 81 HE2 1
   ATOM 2028 HE3 C LYS A 82 ? 16.68448 -29.67915 0.71264 0.549 21.32719 H ? A ? 81 HE3 1
   ATOM 2029 HZ1 C LYS A 82 ? 16.44456 -30.80191 -1.20839 0.549 16.95385 H ? A ? 81 HZ1 1
   ATOM 2030 HZ2 C LYS A 82 ? 15.99234 -29.45166 -1.47418 0.549 16.95385 H ? A ? 81 HZ2 1
   ATOM 2031 HZ3 C LYS A 82 ? 17.29195 -29.88590 -1.94404 0.549 16.95385 H ? A ? 81 HZ3 1
   ATOM 2032 N . GLN A 83 ? 16.57783 -22.53411 0.93670 1.000 10.97769 N ? A ? 82 N 1
   ATOM 2033 CA . GLN A 83 ? 16.62954 -21.46800 1.94601 1.000 9.87811 C ? A ? 82 CA 1
   ATOM 2034 C . GLN A 83 ? 15.27109 -20.76395 2.06748 1.000 10.18490 C ? A ? 82 C 1
   ATOM 2035 O . GLN A 83 ? 14.85301 -20.44185 3.16809 1.000 11.66421 O ? A ? 82 O 1
   ATOM 2036 CB . GLN A 83 ? 17.78994 -20.43765 1.79640 1.000 12.64782 C ? A ? 82 CB 1
   ATOM 2037 CG . GLN A 83 ? 17.88025 -19.60978 0.52813 1.000 13.67577 C ? A ? 82 CG 1
   ATOM 2038 CD . GLN A 83 ? 17.33346 -18.20338 0.65695 1.000 11.77694 C ? A ? 82 CD 1
   ATOM 2039 OE1 . GLN A 83 ? 16.46517 -17.94874 1.49965 1.000 13.89731 O ? A ? 82 OE1 1
   ATOM 2040 NE2 . GLN A 83 ? 17.74770 -17.32032 -0.24140 1.000 16.76228 N ? A ? 82 NE2 1
   ATOM 2041 HA . GLN A 83 ? 16.85332 -21.91638 2.77654 1.000 11.86758 H ? A ? 82 HA 1
   ATOM 2042 HB2 . GLN A 83 ? 17.71575 -19.80706 2.52972 1.000 15.19124 H ? A ? 82 HB2 1
   ATOM 2043 HB3 . GLN A 83 ? 18.62457 -20.92738 1.86313 1.000 15.19124 H ? A ? 82 HB3 1
   ATOM 2044 HG2 . GLN A 83 ? 18.81274 -19.53878 0.27060 1.000 16.42479 H ? A ? 82 HG2 1
   ATOM 2045 HG3 . GLN A 83 ? 17.37643 -20.05686 -0.16985 1.000 16.42479 H ? A ? 82 HG3 1
   ATOM 2046 HE21 . GLN A 83 ? 18.29940 -17.55905 -0.85641 1.000 20.12860 H ? A ? 82 HE21 1
   ATOM 2047 HE22 . GLN A 83 ? 17.46466 -16.50887 -0.20900 1.000 20.12860 H ? A ? 82 HE22 1
   ATOM 2048 H A GLN A 83 ? 16.75283 -22.26888 0.13756 0.191 13.18708 H ? A ? 82 H 1
   ATOM 2049 H B GLN A 83 ? 17.14925 -22.45749 0.29857 0.260 13.18708 H ? A ? 82 H 1
   ATOM 2050 H C GLN A 83 ? 17.01765 -22.37412 0.21520 0.549 13.18708 H ? A ? 82 H 1
   ATOM 2051 N . GLN A 84 ? 14.56658 -20.50619 0.95831 1.000 11.60883 N ? A ? 83 N 1
   ATOM 2052 CA . GLN A 84 ? 13.25964 -19.85060 1.05206 1.000 10.41491 C ? A ? 83 CA 1
   ATOM 2053 C . GLN A 84 ? 12.22495 -20.72271 1.75230 1.000 11.27973 C ? A ? 83 C 1
   ATOM 2054 O . GLN A 84 ? 11.41173 -20.21742 2.51829 1.000 11.86042 O ? A ? 83 O 1
   ATOM 2055 CB . GLN A 84 ? 12.80826 -19.41780 -0.34730 1.000 12.48560 C ? A ? 83 CB 1
   ATOM 2056 CG . GLN A 84 ? 13.57770 -18.22457 -0.90320 1.000 13.06447 C ? A ? 83 CG 1
   ATOM 2057 CD . GLN A 84 ? 13.21095 -16.90630 -0.24615 1.000 31.67048 C ? A ? 83 CD 1
   ATOM 2058 OE1 . GLN A 84 ? 12.13683 -16.36442 -0.48490 1.000 32.66643 O ? A ? 83 OE1 1
   ATOM 2059 NE2 . GLN A 84 ? 14.12407 -16.36377 0.56586 1.000 14.57982 N ? A ? 83 NE2 1
   ATOM 2060 H . GLN A 84 ? 14.81775 -20.69669 0.15817 1.000 13.94446 H ? A ? 83 H 1
   ATOM 2061 HA . GLN A 84 ? 13.34059 -19.05094 1.59511 1.000 12.51175 H ? A ? 83 HA 1
   ATOM 2062 HB2 . GLN A 84 ? 12.93334 -20.16072 -0.95830 1.000 14.99658 H ? A ? 83 HB2 1
   ATOM 2063 HB3 . GLN A 84 ? 11.87034 -19.17323 -0.31000 1.000 14.99658 H ? A ? 83 HB3 1
   ATOM 2064 HG2 . GLN A 84 ? 14.52633 -18.37147 -0.76387 1.000 15.69123 H ? A ? 83 HG2 1
   ATOM 2065 HG3 . GLN A 84 ? 13.39001 -18.14546 -1.85158 1.000 15.69123 H ? A ? 83 HG3 1
   ATOM 2066 HE21 . GLN A 84 ? 14.87583 -16.76129 0.69408 1.000 17.50964 H ? A ? 83 HE21 1
   ATOM 2067 HE22 . GLN A 84 ? 13.95967 -15.61727 0.95996 1.000 17.50964 H ? A ? 83 HE22 1
   ATOM 2068 N . ALA A 85 ? 12.25680 -22.04348 1.50973 1.000 10.05709 N ? A ? 84 N 1
   ATOM 2069 CA . ALA A 85 ? 11.36284 -22.99404 2.17273 1.000 12.71337 C ? A ? 84 CA 1
   ATOM 2070 C . ALA A 85 ? 11.69104 -23.12748 3.66731 1.000 10.81911 C ? A ? 84 C 1
   ATOM 2071 O . ALA A 85 ? 10.77680 -23.24425 4.50791 1.000 11.19223 O ? A ? 84 O 1
   ATOM 2072 CB . ALA A 85 ? 11.49968 -24.36917 1.52464 1.000 15.94546 C ? A ? 84 CB 1
   ATOM 2073 H . ALA A 85 ? 12.79738 -22.41778 0.95541 1.000 12.08236 H ? A ? 84 H 1
   ATOM 2074 HA . ALA A 85 ? 10.45335 -22.67196 2.07272 1.000 15.26990 H ? A ? 84 HA 1
   ATOM 2075 HB1 . ALA A 85 ? 10.91913 -24.99474 1.98564 1.000 19.14841 H ? A ? 84 HB1 1
   ATOM 2076 HB2 . ALA A 85 ? 11.24271 -24.30547 0.59147 1.000 19.14841 H ? A ? 84 HB2 1
   ATOM 2077 HB3 . ALA A 85 ? 12.42215 -24.66084 1.59454 1.000 19.14841 H ? A ? 84 HB3 1
   ATOM 2078 N . PHE A 86 ? 12.99284 -23.16003 4.01013 1.000 9.48565 N ? A ? 85 N 1
   ATOM 2079 CA . PHE A 86 ? 13.38812 -23.06903 5.40251 1.000 7.57058 C ? A ? 85 CA 1
   ATOM 2080 C . PHE A 86 ? 12.79462 -21.81691 6.02303 1.000 7.72820 C ? A ? 85 C 1
   ATOM 2081 O . PHE A 86 ? 12.21469 -21.86683 7.11061 1.000 7.21942 O ? A ? 85 O 1
   ATOM 2082 CB . PHE A 86 ? 14.92155 -23.09746 5.50379 1.000 7.97467 C ? A ? 85 CB 1
   ATOM 2083 CG . PHE A 86 ? 15.44077 -22.59143 6.81940 1.000 7.16693 C ? A ? 85 CG 1
   ATOM 2084 CD1 . PHE A 86 ? 15.22597 -23.26712 7.99559 1.000 8.06010 C ? A ? 85 CD1 1
   ATOM 2085 CD2 . PHE A 86 ? 16.16592 -21.41451 6.85142 1.000 7.23033 C ? A ? 85 CD2 1
   ATOM 2086 CE1 . PHE A 86 ? 15.66583 -22.78192 9.19566 1.000 8.67300 C ? A ? 85 CE1 1
   ATOM 2087 CE2 . PHE A 86 ? 16.62690 -20.89821 8.07609 1.000 8.16861 C ? A ? 85 CE2 1
   ATOM 2088 CZ . PHE A 86 ? 16.37483 -21.60944 9.23921 1.000 7.95895 C ? A ? 85 CZ 1
   ATOM 2089 H . PHE A 86 ? 13.64638 -23.23325 3.45594 1.000 11.39663 H ? A ? 85 H 1
   ATOM 2090 HA . PHE A 86 ? 13.05833 -23.83231 5.90205 1.000 9.09855 H ? A ? 85 HA 1
   ATOM 2091 HB2 . PHE A 86 ? 15.22595 -24.01206 5.39543 1.000 9.58346 H ? A ? 85 HB2 1
   ATOM 2092 HB3 . PHE A 86 ? 15.29241 -22.53911 4.80265 1.000 9.58346 H ? A ? 85 HB3 1
   ATOM 2093 HD1 . PHE A 86 ? 14.76885 -24.07677 7.97516 1.000 9.68597 H ? A ? 85 HD1 1
   ATOM 2094 HD2 . PHE A 86 ? 16.34969 -20.96229 6.05982 1.000 8.69026 H ? A ? 85 HD2 1
   ATOM 2095 HE1 . PHE A 86 ? 15.48447 -23.24627 9.98076 1.000 10.42145 H ? A ? 85 HE1 1
   ATOM 2096 HE2 . PHE A 86 ? 17.09265 -20.09376 8.10503 1.000 9.81620 H ? A ? 85 HE2 1
   ATOM 2097 HZ . PHE A 86 ? 16.68865 -21.28913 10.05396 1.000 9.56459 H ? A ? 85 HZ 1
   ATOM 2098 N B GLN A 87 ? 12.94881 -20.65611 5.35711 0.588 7.97871 N ? A ? 86 N 1
   ATOM 2099 CA B GLN A 87 ? 12.42370 -19.42753 5.98082 0.588 10.28176 C ? A ? 86 CA 1
   ATOM 2100 C B GLN A 87 ? 10.89053 -19.41932 6.03670 0.588 8.17640 C ? A ? 86 C 1
   ATOM 2101 O B GLN A 87 ? 10.30806 -18.74930 6.89134 0.588 9.13596 O ? A ? 86 O 1
   ATOM 2102 CB B GLN A 87 ? 12.95052 -18.13145 5.36144 0.588 8.45767 C ? A ? 86 CB 1
   ATOM 2103 CG B GLN A 87 ? 14.45563 -17.95298 5.49146 0.588 8.30308 C ? A ? 86 CG 1
   ATOM 2104 CD B GLN A 87 ? 14.94004 -16.58800 5.05190 0.588 8.76153 C ? A ? 86 CD 1
   ATOM 2105 OE1 B GLN A 87 ? 14.70217 -15.57470 5.76433 0.588 10.14394 O ? A ? 86 OE1 1
   ATOM 2106 NE2 B GLN A 87 ? 15.58604 -16.52219 3.92353 0.588 10.13209 N ? A ? 86 NE2 1
   ATOM 2107 H B GLN A 87 ? 13.32938 -20.55963 4.59195 0.588 9.58831 H ? A ? 86 H 1
   ATOM 2108 HA B GLN A 87 ? 12.77275 -19.42598 6.88584 0.588 12.35197 H ? A ? 86 HA 1
   ATOM 2109 HB2 B GLN A 87 ? 12.73311 -18.12750 4.41613 0.588 10.16306 H ? A ? 86 HB2 1
   ATOM 2110 HB3 B GLN A 87 ? 12.52467 -17.38004 5.80295 0.588 10.16306 H ? A ? 86 HB3 1
   ATOM 2111 HG2 B GLN A 87 ? 14.70632 -18.07206 6.42091 0.588 9.97756 H ? A ? 86 HG2 1
   ATOM 2112 HG3 B GLN A 87 ? 14.89883 -18.61708 4.94060 0.588 9.97756 H ? A ? 86 HG3 1
   ATOM 2113 HE21 B GLN A 87 ? 15.72098 -17.23587 3.46304 0.588 12.17237 H ? A ? 86 HE21 1
   ATOM 2114 HE22 B GLN A 87 ? 15.87784 -15.76503 3.63863 0.588 12.17237 H ? A ? 86 HE22 1
   ATOM 2115 N C GLN A 87 ? 12.96426 -20.66366 5.35609 0.412 7.79638 N ? A ? 86 N 1
   ATOM 2116 CA C GLN A 87 ? 12.43804 -19.39567 5.83773 0.412 9.22826 C ? A ? 86 CA 1
   ATOM 2117 C C GLN A 87 ? 10.93002 -19.47979 6.01360 0.412 9.32163 C ? A ? 86 C 1
   ATOM 2118 O C GLN A 87 ? 10.41265 -19.05261 7.02057 0.412 7.76031 O ? A ? 86 O 1
   ATOM 2119 CB C GLN A 87 ? 12.91079 -18.34149 4.84974 0.412 10.34725 C ? A ? 86 CB 1
   ATOM 2120 CG C GLN A 87 ? 14.46136 -18.24808 4.86938 0.412 9.61309 C ? A ? 86 CG 1
   ATOM 2121 CD C GLN A 87 ? 14.98438 -17.06659 4.08990 0.412 11.77244 C ? A ? 86 CD 1
   ATOM 2122 OE1 C GLN A 87 ? 15.15090 -17.16084 2.90086 0.412 12.90133 O ? A ? 86 OE1 1
   ATOM 2123 NE2 C GLN A 87 ? 15.25962 -15.96940 4.75266 0.412 10.19698 N ? A ? 86 NE2 1
   ATOM 2124 H C GLN A 87 ? 13.38824 -20.59530 4.61100 0.412 9.36952 H ? A ? 86 H 1
   ATOM 2125 HA C GLN A 87 ? 12.76796 -19.14454 6.71464 0.412 11.08777 H ? A ? 86 HA 1
   ATOM 2126 HB2 C GLN A 87 ? 12.62456 -18.58215 3.95472 0.412 12.43056 H ? A ? 86 HB2 1
   ATOM 2127 HB3 C GLN A 87 ? 12.54358 -17.47768 5.09445 0.412 12.43056 H ? A ? 86 HB3 1
   ATOM 2128 HG2 C GLN A 87 ? 14.76109 -18.15821 5.78753 0.412 11.54956 H ? A ? 86 HG2 1
   ATOM 2129 HG3 C GLN A 87 ? 14.83167 -19.05413 4.47689 0.412 11.54956 H ? A ? 86 HG3 1
   ATOM 2130 HE21 C GLN A 87 ? 15.14053 -15.93988 5.60386 0.412 12.25023 H ? A ? 86 HE21 1
   ATOM 2131 HE22 C GLN A 87 ? 15.55925 -15.27919 4.33620 0.412 12.25023 H ? A ? 86 HE22 1
   ATOM 2132 N . ASP A 88 ? 10.23051 -20.11704 5.09362 1.000 8.61603 N ? A ? 87 N 1
   ATOM 2133 CA . ASP A 88 ? 8.78061 -20.29805 5.21775 1.000 8.20442 C ? A ? 87 CA 1
   ATOM 2134 C . ASP A 88 ? 8.42537 -21.15572 6.44090 1.000 7.68806 C ? A ? 87 C 1
   ATOM 2135 O . ASP A 88 ? 7.44491 -20.86330 7.14445 1.000 8.55136 O ? A ? 87 O 1
   ATOM 2136 CB . ASP A 88 ? 8.19380 -21.01488 3.98390 1.000 10.74065 C ? A ? 87 CB 1
   ATOM 2137 CG . ASP A 88 ? 8.30842 -20.27656 2.67476 1.000 13.77029 C ? A ? 87 CG 1
   ATOM 2138 OD1 . ASP A 88 ? 8.44001 -19.04294 2.69926 1.000 15.16010 O ? A ? 87 OD1 1
   ATOM 2139 OD2 . ASP A 88 ? 8.21738 -20.95573 1.59994 1.000 13.31770 O ? A ? 87 OD2 1
   ATOM 2140 HA . ASP A 88 ? 8.39772 -19.41007 5.29375 1.000 9.85916 H ? A ? 87 HA 1
   ATOM 2141 HB2 . ASP A 88 ? 8.65536 -21.86124 3.87642 1.000 12.90263 H ? A ? 87 HB2 1
   ATOM 2142 HB3 . ASP A 88 ? 7.24961 -21.16981 4.14329 1.000 12.90263 H ? A ? 87 HB3 1
   ATOM 2143 H B ASP A 88 ? 10.58818 -20.48000 4.40085 0.588 10.35309 H ? A ? 87 H 1
   ATOM 2144 H C ASP A 88 ? 10.56437 -20.46025 4.37924 0.412 10.35309 H ? A ? 87 H 1
   ATOM 2145 N . ASN A 89 ? 9.21043 -22.21290 6.71861 1.000 7.80006 N ? A ? 88 N 1
   ATOM 2146 CA . ASN A 89 ? 8.98001 -22.97051 7.94242 1.000 8.19491 C ? A ? 88 CA 1
   ATOM 2147 C . ASN A 89 ? 9.26886 -22.14288 9.18769 1.000 7.48577 C ? A ? 88 C 1
   ATOM 2148 O . ASN A 89 ? 8.58161 -22.29751 10.20014 1.000 8.83611 O ? A ? 88 O 1
   ATOM 2149 CB . ASN A 89 ? 9.74761 -24.26099 7.92007 1.000 8.40014 C ? A ? 88 CB 1
   ATOM 2150 CG . ASN A 89 ? 8.97122 -25.34947 7.18767 1.000 11.39417 C ? A ? 88 CG 1
   ATOM 2151 OD1 . ASN A 89 ? 9.55298 -26.24646 6.59907 1.000 15.67427 O ? A ? 88 OD1 1
   ATOM 2152 ND2 . ASN A 89 ? 7.65341 -25.27726 7.23893 1.000 10.85125 N ? A ? 88 ND2 1
   ATOM 2153 H . ASN A 89 ? 9.85757 -22.49544 6.22771 1.000 9.37393 H ? A ? 88 H 1
   ATOM 2154 HA . ASN A 89 ? 8.04274 -23.21617 7.98793 1.000 9.84775 H ? A ? 88 HA 1
   ATOM 2155 HB2 . ASN A 89 ? 10.59217 -24.12581 7.46252 1.000 10.09402 H ? A ? 88 HB2 1
   ATOM 2156 HB3 . ASN A 89 ? 9.90690 -24.55710 8.82993 1.000 10.09402 H ? A ? 88 HB3 1
   ATOM 2157 HD21 . ASN A 89 ? 7.27430 -24.63757 7.67099 1.000 13.03536 H ? A ? 88 HD21 1
   ATOM 2158 HD22 . ASN A 89 ? 7.17445 -25.86993 6.84025 1.000 13.03536 H ? A ? 88 HD22 1
   ATOM 2159 N . ILE A 90 ? 10.21971 -21.20962 9.12056 1.000 7.84329 N ? A ? 89 N 1
   ATOM 2160 CA . ILE A 90 ? 10.43011 -20.27158 10.22066 1.000 8.12843 C ? A ? 89 CA 1
   ATOM 2161 C . ILE A 90 ? 9.20926 -19.38299 10.42253 1.000 8.38750 C ? A ? 89 C 1
   ATOM 2162 O . ILE A 90 ? 8.81867 -19.12756 11.56545 1.000 9.33506 O ? A ? 89 O 1
   ATOM 2163 CB . ILE A 90 ? 11.72790 -19.46328 10.00860 1.000 9.13958 C ? A ? 89 CB 1
   ATOM 2164 CG1 . ILE A 90 ? 12.95933 -20.36119 10.12810 1.000 8.68315 C ? A ? 89 CG1 1
   ATOM 2165 CG2 . ILE A 90 ? 11.77125 -18.28425 10.99306 1.000 11.33611 C ? A ? 89 CG2 1
   ATOM 2166 CD1 . ILE A 90 ? 13.30565 -20.75054 11.56100 1.000 10.96169 C ? A ? 89 CD1 1
   ATOM 2167 H . ILE A 90 ? 10.75214 -21.09957 8.45422 1.000 9.42580 H ? A ? 89 H 1
   ATOM 2168 HA . ILE A 90 ? 10.54332 -20.78277 11.03723 1.000 9.76798 H ? A ? 89 HA 1
   ATOM 2169 HB . ILE A 90 ? 11.73312 -19.10406 9.10758 1.000 10.98136 H ? A ? 89 HB 1
   ATOM 2170 HG12 . ILE A 90 ? 12.79779 -21.17838 9.63109 1.000 10.43363 H ? A ? 89 HG12 1
   ATOM 2171 HG13 . ILE A 90 ? 13.72316 -19.89257 9.75681 1.000 10.43363 H ? A ? 89 HG13 1
   ATOM 2172 HG21 . ILE A 90 ? 12.61592 -17.81841 10.89088 1.000 13.61719 H ? A ? 89 HG21 1
   ATOM 2173 HG22 . ILE A 90 ? 11.03592 -17.68255 10.79774 1.000 13.61719 H ? A ? 89 HG22 1
   ATOM 2174 HG23 . ILE A 90 ? 11.68865 -18.62485 11.89753 1.000 13.61719 H ? A ? 89 HG23 1
   ATOM 2175 HD11 . ILE A 90 ? 14.03509 -21.38977 11.54704 1.000 13.16788 H ? A ? 89 HD11 1
   ATOM 2176 HD12 . ILE A 90 ? 13.57188 -19.95546 12.04872 1.000 13.16788 H ? A ? 89 HD12 1
   ATOM 2177 HD13 . ILE A 90 ? 12.52518 -21.14831 11.97759 1.000 13.16788 H ? A ? 89 HD13 1
   ATOM 2178 N . VAL A 91 ? 8.57463 -18.92063 9.33302 1.000 9.28886 N ? A ? 90 N 1
   ATOM 2179 CA . VAL A 91 ? 7.34500 -18.13246 9.47624 1.000 10.01229 C ? A ? 90 CA 1
   ATOM 2180 C . VAL A 91 ? 6.28916 -18.92221 10.22374 1.000 9.40538 C ? A ? 90 C 1
   ATOM 2181 O . VAL A 91 ? 5.58775 -18.38614 11.10621 1.000 9.86729 O ? A ? 90 O 1
   ATOM 2182 CB . VAL A 91 ? 6.85154 -17.62954 8.10692 1.000 10.51523 C ? A ? 90 CB 1
   ATOM 2183 CG1 . VAL A 91 ? 5.48217 -16.97015 8.24293 1.000 11.05298 C ? A ? 90 CG1 1
   ATOM 2184 CG2 . VAL A 91 ? 7.82087 -16.66201 7.49293 1.000 12.81234 C ? A ? 90 CG2 1
   ATOM 2185 H . VAL A 91 ? 8.83011 -19.04706 8.52164 1.000 11.16048 H ? A ? 90 H 1
   ATOM 2186 HA . VAL A 91 ? 7.54647 -17.34659 10.00795 1.000 12.02861 H ? A ? 90 HA 1
   ATOM 2187 HB . VAL A 91 ? 6.77870 -18.39623 7.51719 1.000 12.63213 H ? A ? 90 HB 1
   ATOM 2188 HG11 . VAL A 91 ? 5.28933 -16.47271 7.43283 1.000 13.27743 H ? A ? 90 HG11 1
   ATOM 2189 HG12 . VAL A 91 ? 4.81193 -17.65864 8.37579 1.000 13.27743 H ? A ? 90 HG12 1
   ATOM 2190 HG13 . VAL A 91 ? 5.49507 -16.36969 9.00463 1.000 13.27743 H ? A ? 90 HG13 1
   ATOM 2191 HG21 . VAL A 91 ? 7.45187 -16.33173 6.65886 1.000 15.38867 H ? A ? 90 HG21 1
   ATOM 2192 HG22 . VAL A 91 ? 7.96267 -15.92456 8.10690 1.000 15.38867 H ? A ? 90 HG22 1
   ATOM 2193 HG23 . VAL A 91 ? 8.65992 -17.11900 7.32545 1.000 15.38867 H ? A ? 90 HG23 1
   ATOM 2194 N . LYS A 92 ? 6.13617 -20.20034 9.87782 1.000 9.93440 N ? A ? 91 N 1
   ATOM 2195 CA . LYS A 92 ? 5.15931 -21.04015 10.55665 1.000 9.12832 C ? A ? 91 CA 1
   ATOM 2196 C . LYS A 92 ? 5.49623 -21.22148 12.04151 1.000 8.75285 C ? A ? 91 C 1
   ATOM 2197 O . LYS A 92 ? 4.59658 -21.26030 12.89770 1.000 9.65633 O ? A ? 91 O 1
   ATOM 2198 CB . LYS A 92 ? 5.09753 -22.39725 9.87723 1.000 10.06161 C ? A ? 91 CB 1
   ATOM 2199 CG . LYS A 92 ? 3.98615 -23.26543 10.38303 1.000 14.94579 C ? A ? 91 CG 1
   ATOM 2200 CD . LYS A 92 ? 3.34235 -24.10555 9.28752 1.000 29.51073 C ? A ? 91 CD 1
   ATOM 2201 CE . LYS A 92 ? 4.33304 -24.84645 8.39540 1.000 18.38418 C ? A ? 91 CE 1
   ATOM 2202 NZ . LYS A 92 ? 5.45691 -25.55004 9.04706 1.000 15.16013 N ? A ? 91 NZ 1
   ATOM 2203 H . LYS A 92 ? 6.58169 -20.59932 9.25981 1.000 11.93514 H ? A ? 91 H 1
   ATOM 2204 HA . LYS A 92 ? 4.29128 -20.61160 10.49527 1.000 10.96784 H ? A ? 91 HA 1
   ATOM 2205 HB2 . LYS A 92 ? 4.96282 -22.26534 8.92573 1.000 12.08779 H ? A ? 91 HB2 1
   ATOM 2206 HB3 . LYS A 92 ? 5.93380 -22.86359 10.03240 1.000 12.08779 H ? A ? 91 HB3 1
   ATOM 2207 HG2 . LYS A 92 ? 4.33856 -23.86999 11.05475 1.000 17.94881 H ? A ? 91 HG2 1
   ATOM 2208 HG3 . LYS A 92 ? 3.29789 -22.70291 10.77132 1.000 17.94881 H ? A ? 91 HG3 1
   ATOM 2209 HD2 . LYS A 92 ? 2.76947 -24.76938 9.70228 1.000 35.42674 H ? A ? 91 HD2 1
   ATOM 2210 HD3 . LYS A 92 ? 2.81619 -23.52227 8.71844 1.000 35.42674 H ? A ? 91 HD3 1
   ATOM 2211 HE2 . LYS A 92 ? 3.83923 -25.51521 7.89558 1.000 22.07487 H ? A ? 91 HE2 1
   ATOM 2212 HE3 . LYS A 92 ? 4.72514 -24.20034 7.78737 1.000 22.07487 H ? A ? 91 HE3 1
   ATOM 2213 HZ1 . LYS A 92 ? 5.67703 -26.27300 8.57698 1.000 18.20601 H ? A ? 91 HZ1 1
   ATOM 2214 HZ2 . LYS A 92 ? 6.16421 -25.01224 9.09802 1.000 18.20601 H ? A ? 91 HZ2 1
   ATOM 2215 HZ3 . LYS A 92 ? 5.22414 -25.79977 9.86898 1.000 18.20601 H ? A ? 91 HZ3 1
   ATOM 2216 N . LEU A 93 ? 6.79020 -21.33787 12.36944 1.000 9.11012 N ? A ? 92 N 1
   ATOM 2217 CA . LEU A 93 ? 7.20142 -21.40057 13.77972 1.000 8.28446 C ? A ? 92 CA 1
   ATOM 2218 C . LEU A 93 ? 6.89972 -20.10992 14.52650 1.000 8.87565 C ? A ? 92 C 1
   ATOM 2219 O . LEU A 93 ? 6.40680 -20.13484 15.66236 1.000 9.19690 O ? A ? 92 O 1
   ATOM 2220 CB . LEU A 93 ? 8.67091 -21.78916 13.83728 1.000 8.26452 C ? A ? 92 CB 1
   ATOM 2221 CG . LEU A 93 ? 9.24896 -21.99521 15.24774 1.000 8.80411 C ? A ? 92 CG 1
   ATOM 2222 CD1 . LEU A 93 ? 8.69550 -23.24013 15.91952 1.000 11.99999 C ? A ? 92 CD1 1
   ATOM 2223 CD2 . LEU A 93 ? 10.77012 -22.07779 15.15567 1.000 9.89420 C ? A ? 92 CD2 1
   ATOM 2224 H . LEU A 93 ? 7.43849 -21.38185 11.80607 1.000 10.94600 H ? A ? 92 H 1
   ATOM 2225 HA . LEU A 93 ? 6.69447 -22.08517 14.24365 1.000 9.95521 H ? A ? 92 HA 1
   ATOM 2226 HB2 . LEU A 93 ? 8.78413 -22.62255 13.35402 1.000 9.93128 H ? A ? 92 HB2 1
   ATOM 2227 HB3 . LEU A 93 ? 9.18796 -21.08669 13.41289 1.000 9.93128 H ? A ? 92 HB3 1
   ATOM 2228 HG . LEU A 93 ? 8.99131 -21.24253 15.80270 1.000 10.57879 H ? A ? 92 HG 1
   ATOM 2229 HD11 . LEU A 93 ? 9.13787 -23.36089 16.77429 1.000 14.41384 H ? A ? 92 HD11 1
   ATOM 2230 HD12 . LEU A 93 ? 7.74129 -23.12884 16.05372 1.000 14.41384 H ? A ? 92 HD12 1
   ATOM 2231 HD13 . LEU A 93 ? 8.86213 -24.00712 15.34955 1.000 14.41384 H ? A ? 92 HD13 1
   ATOM 2232 HD21 . LEU A 93 ? 11.13465 -22.19311 16.04714 1.000 11.88690 H ? A ? 92 HD21 1
   ATOM 2233 HD22 . LEU A 93 ? 11.01220 -22.83430 14.59890 1.000 11.88690 H ? A ? 92 HD22 1
   ATOM 2234 HD23 . LEU A 93 ? 11.10779 -21.25722 14.76382 1.000 11.88690 H ? A ? 92 HD23 1
   ATOM 2235 N . SER A 94 ? 7.15086 -18.97657 13.88252 1.000 9.19262 N ? A ? 93 N 1
   ATOM 2236 CA . SER A 94 ? 6.79406 -17.68658 14.44662 1.000 9.00361 C ? A ? 93 CA 1
   ATOM 2237 C . SER A 94 ? 5.28841 -17.61257 14.70909 1.000 8.03708 C ? A ? 93 C 1
   ATOM 2238 O . SER A 94 ? 4.84740 -17.11368 15.74973 1.000 9.23938 O ? A ? 93 O 1
   ATOM 2239 CB . SER A 94 ? 7.22209 -16.54618 13.51378 1.000 9.59141 C ? A ? 93 CB 1
   ATOM 2240 OG . SER A 94 ? 8.63115 -16.41031 13.43931 1.000 11.07925 O ? A ? 93 OG 1
   ATOM 2241 H . SER A 94 ? 7.52971 -18.92795 13.11200 1.000 11.04500 H ? A ? 93 H 1
   ATOM 2242 HA . SER A 94 ? 7.26902 -17.57746 15.28531 1.000 10.81818 H ? A ? 93 HA 1
   ATOM 2243 HB2 . SER A 94 ? 6.88121 -16.72924 12.62429 1.000 11.52355 H ? A ? 93 HB2 1
   ATOM 2244 HB3 . SER A 94 ? 6.84817 -15.71588 13.84798 1.000 11.52355 H ? A ? 93 HB3 1
   ATOM 2245 HG . SER A 94 ? 8.83117 -15.65178 13.13894 1.000 13.30896 H ? A ? 93 HG 1
   ATOM 2246 N . ALA A 95 ? 4.47536 -18.07562 13.74690 1.000 8.76746 N ? A ? 94 N 1
   ATOM 2247 CA . ALA A 95 ? 3.02263 -18.04152 13.94647 1.000 9.33268 C ? A ? 94 CA 1
   ATOM 2248 C . ALA A 95 ? 2.61784 -18.87248 15.14688 1.000 9.41577 C ? A ? 94 C 1
   ATOM 2249 O . ALA A 95 ? 1.76738 -18.44974 15.95651 1.000 10.82970 O ? A ? 94 O 1
   ATOM 2250 CB . ALA A 95 ? 2.31469 -18.49699 12.67646 1.000 10.76283 C ? A ? 94 CB 1
   ATOM 2251 H . ALA A 95 ? 4.73266 -18.40353 12.99466 1.000 10.53481 H ? A ? 94 H 1
   ATOM 2252 HA . ALA A 95 ? 2.74090 -17.12989 14.12103 1.000 11.21307 H ? A ? 94 HA 1
   ATOM 2253 HB1 . ALA A 95 ? 1.35591 -18.46048 12.81894 1.000 12.92925 H ? A ? 94 HB1 1
   ATOM 2254 HB2 . ALA A 95 ? 2.56346 -17.90743 11.94747 1.000 12.92925 H ? A ? 94 HB2 1
   ATOM 2255 HB3 . ALA A 95 ? 2.58452 -19.40629 12.47329 1.000 12.92925 H ? A ? 94 HB3 1
   ATOM 2256 N A ALA A 96 ? 3.21425 -20.05315 15.31435 0.301 9.64676 N ? A ? 95 N 1
   ATOM 2257 CA A ALA A 96 ? 2.85439 -20.93058 16.41953 0.301 10.23577 C ? A ? 95 CA 1
   ATOM 2258 C A ALA A 96 ? 3.32549 -20.37900 17.75822 0.301 8.96017 C ? A ? 95 C 1
   ATOM 2259 O A ALA A 96 ? 2.66481 -20.59141 18.78210 0.301 9.75605 O ? A ? 95 O 1
   ATOM 2260 CB A ALA A 96 ? 3.46182 -22.32050 16.20859 0.301 11.07432 C ? A ? 95 CB 1
   ATOM 2261 H A ALA A 96 ? 3.82919 -20.36721 14.80169 0.301 11.58996 H ? A ? 95 H 1
   ATOM 2262 HA A ALA A 96 ? 1.88782 -21.00974 16.43913 0.301 12.29678 H ? A ? 95 HA 1
   ATOM 2263 HB1 A ALA A 96 ? 3.23140 -22.88378 16.96392 0.301 13.30305 H ? A ? 95 HB1 1
   ATOM 2264 HB2 A ALA A 96 ? 3.10404 -22.70075 15.39109 0.301 13.30305 H ? A ? 95 HB2 1
   ATOM 2265 HB3 A ALA A 96 ? 4.42578 -22.23681 16.14027 0.301 13.30305 H ? A ? 95 HB3 1
   ATOM 2266 N B ALA A 96 ? 3.17484 -20.06489 15.28283 0.699 9.67571 N ? A ? 95 N 1
   ATOM 2267 CA B ALA A 96 ? 2.85014 -20.91473 16.41882 0.699 10.20982 C ? A ? 95 CA 1
   ATOM 2268 C B ALA A 96 ? 3.25001 -20.24268 17.72363 0.699 9.63736 C ? A ? 95 C 1
   ATOM 2269 O B ALA A 96 ? 2.46903 -20.19364 18.68220 0.699 9.61974 O ? A ? 95 O 1
   ATOM 2270 CB B ALA A 96 ? 3.56732 -22.26279 16.26927 0.699 10.88459 C ? A ? 95 CB 1
   ATOM 2271 H B ALA A 96 ? 3.74238 -20.40656 14.73442 0.699 11.62471 H ? A ? 95 H 1
   ATOM 2272 HA B ALA A 96 ? 1.89363 -21.07478 16.43832 0.699 12.26564 H ? A ? 95 HA 1
   ATOM 2273 HB1 B ALA A 96 ? 3.36932 -22.81338 17.04294 0.699 13.07537 H ? A ? 95 HB1 1
   ATOM 2274 HB2 B ALA A 96 ? 3.25258 -22.70019 15.46272 0.699 13.07537 H ? A ? 95 HB2 1
   ATOM 2275 HB3 B ALA A 96 ? 4.52292 -22.10723 16.20982 0.699 13.07537 H ? A ? 95 HB3 1
   ATOM 2276 N . ALA A 97 ? 4.47556 -19.70337 17.77310 1.000 8.03077 N ? A ? 96 N 1
   ATOM 2277 CA . ALA A 97 ? 4.97230 -19.08755 18.99687 1.000 8.78002 C ? A ? 96 CA 1
   ATOM 2278 C . ALA A 97 ? 4.14582 -17.84644 19.34658 1.000 9.41377 C ? A ? 96 C 1
   ATOM 2279 O . ALA A 97 ? 3.83130 -17.59738 20.52579 1.000 10.55462 O ? A ? 96 O 1
   ATOM 2280 CB . ALA A 97 ? 6.44482 -18.71787 18.78542 1.000 9.36696 C ? A ? 96 CB 1
   ATOM 2281 HA . ALA A 97 ? 4.90739 -19.70678 19.74068 1.000 10.54988 H ? A ? 96 HA 1
   ATOM 2282 HB1 . ALA A 97 ? 6.79860 -18.34661 19.60877 1.000 11.25421 H ? A ? 96 HB1 1
   ATOM 2283 HB2 . ALA A 97 ? 6.93931 -19.51649 18.54336 1.000 11.25421 H ? A ? 96 HB2 1
   ATOM 2284 HB3 . ALA A 97 ? 6.50667 -18.06202 18.07342 1.000 11.25421 H ? A ? 96 HB3 1
   ATOM 2285 H A ALA A 97 ? 4.98418 -19.58835 17.08923 0.301 9.65078 H ? A ? 96 H 1
   ATOM 2286 H B ALA A 97 ? 5.02982 -19.68375 17.11582 0.699 9.65078 H ? A ? 96 H 1
   ATOM 2287 N . ASP A 98 ? 3.79299 -17.05826 18.32284 1.000 10.18118 N ? A ? 97 N 1
   ATOM 2288 CA . ASP A 98 ? 2.99146 -15.86961 18.53831 1.000 12.04152 C ? A ? 97 CA 1
   ATOM 2289 C . ASP A 98 ? 1.59037 -16.22829 19.03954 1.000 11.31353 C ? A ? 97 C 1
   ATOM 2290 O . ASP A 98 ? 0.98998 -15.45810 19.78711 1.000 14.30458 O ? A ? 97 O 1
   ATOM 2291 CB . ASP A 98 ? 2.90414 -15.04232 17.24659 1.000 11.51123 C ? A ? 97 CB 1
   ATOM 2292 CG . ASP A 98 ? 4.19715 -14.33246 16.86599 1.000 12.23338 C ? A ? 97 CG 1
   ATOM 2293 OD1 . ASP A 98 ? 5.18377 -14.32156 17.66068 1.000 12.82149 O ? A ? 97 OD1 1
   ATOM 2294 OD2 . ASP A 98 ? 4.24274 -13.77661 15.73205 1.000 14.42207 O ? A ? 97 OD2 1
   ATOM 2295 H . ASP A 98 ? 4.00787 -17.19608 17.50161 1.000 12.23127 H ? A ? 97 H 1
   ATOM 2296 HA . ASP A 98 ? 3.42250 -15.31866 19.21029 1.000 14.46368 H ? A ? 97 HA 1
   ATOM 2297 HB2 . ASP A 98 ? 2.66842 -15.63404 16.51501 1.000 13.82733 H ? A ? 97 HB2 1
   ATOM 2298 HB3 . ASP A 98 ? 2.21961 -14.36425 17.35859 1.000 13.82733 H ? A ? 97 HB3 1
   ATOM 2299 N . ALA A 99 ? 1.07619 -17.39004 18.63246 1.000 12.48057 N ? A ? 98 N 1
   ATOM 2300 CA . ALA A 99 ? -0.22630 -17.88026 19.06386 1.000 14.61778 C ? A ? 98 CA 1
   ATOM 2301 C . ALA A 99 ? -0.19627 -18.49536 20.47587 1.000 13.26643 C ? A ? 98 C 1
   ATOM 2302 O . ALA A 99 ? -1.25897 -18.66944 21.08243 1.000 14.91395 O ? A ? 98 O 1
   ATOM 2303 CB . ALA A 99 ? -0.74140 -18.91749 18.05130 1.000 17.07530 C ? A ? 98 CB 1
   ATOM 2304 H . ALA A 99 ? 1.47519 -17.92606 18.09110 1.000 14.99054 H ? A ? 98 H 1
   ATOM 2305 HA . ALA A 99 ? -0.85259 -17.13989 19.08667 1.000 17.55519 H ? A ? 98 HA 1
   ATOM 2306 HB1 . ALA A 99 ? -1.59117 -19.26715 18.36198 1.000 20.50421 H ? A ? 98 HB1 1
   ATOM 2307 HB2 . ALA A 99 ? -0.85587 -18.48756 17.18935 1.000 20.50421 H ? A ? 98 HB2 1
   ATOM 2308 HB3 . ALA A 99 ? -0.09440 -19.63655 17.97895 1.000 20.50421 H ? A ? 98 HB3 1
   ATOM 2309 N . GLY A 100 ? 0.98917 -18.77873 21.00461 1.000 12.18105 N ? A ? 99 N 1
   ATOM 2310 CA . GLY A 100 ? 1.09170 -19.39773 22.31273 1.000 12.37976 C ? A ? 99 CA 1
   ATOM 2311 C . GLY A 100 ? 0.57505 -20.81300 22.37920 1.000 13.74462 C ? A ? 99 C 1
   ATOM 2312 O . GLY A 100 ? 0.05926 -21.23388 23.42104 1.000 15.88497 O ? A ? 99 O 1
   ATOM 2313 H . GLY A 100 ? 1.74471 -18.62185 20.62496 1.000 14.63111 H ? A ? 99 H 1
   ATOM 2314 HA2 . GLY A 100 ? 2.02403 -19.40932 22.58018 1.000 14.86957 H ? A ? 99 HA2 1
   ATOM 2315 HA3 . GLY A 100 ? 0.58714 -18.86745 22.94922 1.000 14.86957 H ? A ? 99 HA3 1
   ATOM 2316 N . ASP A 101 ? 0.74071 -21.58375 21.32164 1.000 15.39094 N ? A ? 100 N 1
   ATOM 2317 CA . ASP A 101 ? 0.14223 -22.91620 21.25829 1.000 17.74486 C ? A ? 100 CA 1
   ATOM 2318 C . ASP A 101 ? 1.26121 -23.94911 21.17117 1.000 15.51563 C ? A ? 100 C 1
   ATOM 2319 O . ASP A 101 ? 1.93547 -24.06244 20.14490 1.000 14.11868 O ? A ? 100 O 1
   ATOM 2320 CB . ASP A 101 ? -0.80123 -23.05732 20.05463 1.000 24.40414 C ? A ? 100 CB 1
   ATOM 2321 CG . ASP A 101 ? -1.53880 -24.37129 20.05307 1.000 28.92860 C ? A ? 100 CG 1
   ATOM 2322 OD1 . ASP A 101 ? -2.77262 -24.35202 19.87489 1.000 46.31507 O ? A ? 100 OD1 1
   ATOM 2323 OD2 . ASP A 101 ? -0.88737 -25.41946 20.21306 1.000 22.38450 O ? A ? 100 OD2 1
   ATOM 2324 H . ASP A 101 ? 1.19441 -21.36263 20.62532 1.000 18.48298 H ? A ? 100 H 1
   ATOM 2325 HA . ASP A 101 ? -0.36543 -23.06411 22.07150 1.000 21.30769 H ? A ? 100 HA 1
   ATOM 2326 HB2 . ASP A 101 ? -1.45746 -22.34346 20.08040 1.000 29.29883 H ? A ? 100 HB2 1
   ATOM 2327 HB3 . ASP A 101 ? -0.28267 -23.00190 19.23676 1.000 29.29883 H ? A ? 100 HB3 1
   ATOM 2328 N . LEU A 102 ? 1.42982 -24.74086 22.24500 1.000 15.97654 N ? A ? 101 N 1
   ATOM 2329 CA . LEU A 102 ? 2.52947 -25.70386 22.27472 1.000 14.34923 C ? A ? 101 CA 1
   ATOM 2330 C . LEU A 102 ? 2.37807 -26.82125 21.24967 1.000 13.89136 C ? A ? 101 C 1
   ATOM 2331 O . LEU A 102 ? 3.39426 -27.29963 20.72913 1.000 13.13530 O ? A ? 101 O 1
   ATOM 2332 CB . LEU A 102 ? 2.78527 -26.29555 23.68235 1.000 18.17929 C ? A ? 101 CB 1
   ATOM 2333 CG . LEU A 102 ? 3.97539 -27.23058 23.98572 1.000 16.85488 C ? A ? 101 CG 1
   ATOM 2334 CD1 . LEU A 102 ? 5.31625 -26.60360 23.66121 1.000 17.10460 C ? A ? 101 CD1 1
   ATOM 2335 CD2 . LEU A 102 ? 3.95411 -27.65688 25.47913 1.000 21.73937 C ? A ? 101 CD2 1
   ATOM 2336 H . LEU A 102 ? 0.93265 -24.73626 22.94672 1.000 19.18570 H ? A ? 101 H 1
   ATOM 2337 HA . LEU A 102 ? 3.32138 -25.19299 22.04498 1.000 17.23293 H ? A ? 101 HA 1
   ATOM 2338 HB2 . LEU A 102 ? 2.88852 -25.54202 24.28437 1.000 21.82901 H ? A ? 101 HB2 1
   ATOM 2339 HB3 . LEU A 102 ? 1.99212 -26.80194 23.91767 1.000 21.82901 H ? A ? 101 HB3 1
   ATOM 2340 HG . LEU A 102 ? 3.87964 -28.01000 23.41630 1.000 20.23972 H ? A ? 101 HG 1
   ATOM 2341 HD11 . LEU A 102 ? 6.02083 -27.23224 23.88320 1.000 20.53938 H ? A ? 101 HD11 1
   ATOM 2342 HD12 . LEU A 102 ? 5.34607 -26.39406 22.71458 1.000 20.53938 H ? A ? 101 HD12 1
   ATOM 2343 HD13 . LEU A 102 ? 5.42016 -25.79250 24.18296 1.000 20.53938 H ? A ? 101 HD13 1
   ATOM 2344 HD21 . LEU A 102 ? 4.70017 -28.25336 25.64794 1.000 26.10110 H ? A ? 101 HD21 1
   ATOM 2345 HD22 . LEU A 102 ? 4.03113 -26.86542 26.03461 1.000 26.10110 H ? A ? 101 HD22 1
   ATOM 2346 HD23 . LEU A 102 ? 3.11803 -28.11190 25.66578 1.000 26.10110 H ? A ? 101 HD23 1
   ATOM 2347 N A ASP A 103 ? 1.14458 -27.25976 20.97186 0.612 16.98020 N ? A ? 102 N 1
   ATOM 2348 CA A ASP A 103 ? 0.95316 -28.27675 19.94221 0.612 14.17059 C ? A ? 102 CA 1
   ATOM 2349 C A ASP A 103 ? 1.41023 -27.76396 18.59191 0.612 14.24186 C ? A ? 102 C 1
   ATOM 2350 O A ASP A 103 ? 2.10380 -28.46575 17.83707 0.612 13.54004 O ? A ? 102 O 1
   ATOM 2351 CB A ASP A 103 ? -0.52078 -28.65901 19.81109 0.612 17.19142 C ? A ? 102 CB 1
   ATOM 2352 CG A ASP A 103 ? -0.97680 -29.58445 20.87531 0.612 23.01184 C ? A ? 102 CG 1
   ATOM 2353 OD1 A ASP A 103 ? -0.13690 -30.33755 21.38339 0.612 24.79582 O ? A ? 102 OD1 1
   ATOM 2354 OD2 A ASP A 103 ? -2.18433 -29.55113 21.20502 0.612 29.43736 O ? A ? 102 OD2 1
   ATOM 2355 H A ASP A 103 ? 0.42403 -26.99014 21.35619 0.612 20.39009 H ? A ? 102 H 1
   ATOM 2356 HA A ASP A 103 ? 1.46600 -29.05557 20.20930 0.612 17.01856 H ? A ? 102 HA 1
   ATOM 2357 HB2 A ASP A 103 ? -1.06063 -27.85480 19.86300 0.612 20.64357 H ? A ? 102 HB2 1
   ATOM 2358 HB3 A ASP A 103 ? -0.65801 -29.09610 18.95609 0.612 20.64357 H ? A ? 102 HB3 1
   ATOM 2359 N B ASP A 103 ? 1.15692 -27.27081 20.93186 0.388 17.49331 N ? A ? 102 N 1
   ATOM 2360 CA B ASP A 103 ? 1.02957 -28.32320 19.91876 0.388 14.72937 C ? A ? 102 CA 1
   ATOM 2361 C B ASP A 103 ? 1.36273 -27.79534 18.53233 0.388 14.40618 C ? A ? 102 C 1
   ATOM 2362 O B ASP A 103 ? 1.98693 -28.50160 17.72483 0.388 12.85085 O ? A ? 102 O 1
   ATOM 2363 CB B ASP A 103 ? -0.37635 -28.91788 19.93350 0.388 17.76710 C ? A ? 102 CB 1
   ATOM 2364 CG B ASP A 103 ? -0.41368 -30.33652 20.49577 0.388 24.06739 C ? A ? 102 CG 1
   ATOM 2365 OD1 B ASP A 103 ? 0.41494 -31.18046 20.06852 0.388 18.17474 O ? A ? 102 OD1 1
   ATOM 2366 OD2 B ASP A 103 ? -1.25745 -30.60568 21.38193 0.388 31.19194 O ? A ? 102 OD2 1
   ATOM 2367 H B ASP A 103 ? 0.41783 -26.99455 21.27394 0.388 21.00583 H ? A ? 102 H 1
   ATOM 2368 HA B ASP A 103 ? 1.65441 -29.03241 20.13668 0.388 17.68910 H ? A ? 102 HA 1
   ATOM 2369 HB2 B ASP A 103 ? -0.94865 -28.36185 20.48505 0.388 21.33437 H ? A ? 102 HB2 1
   ATOM 2370 HB3 B ASP A 103 ? -0.71671 -28.94639 19.02562 0.388 21.33437 H ? A ? 102 HB3 1
   ATOM 2371 N . LYS A 104 ? 0.97152 -26.55826 18.23554 1.000 14.09022 N ? A ? 103 N 1
   ATOM 2372 CA . LYS A 104 ? 1.39294 -25.95787 16.97872 1.000 14.63168 C ? A ? 103 CA 1
   ATOM 2373 C . LYS A 104 ? 2.90523 -25.74173 16.95766 1.000 11.61626 C ? A ? 103 C 1
   ATOM 2374 O . LYS A 104 ? 3.56770 -25.96501 15.93762 1.000 12.69047 O ? A ? 103 O 1
   ATOM 2375 HA . LYS A 104 ? 1.16611 -26.56537 16.25734 1.000 17.57188 H ? A ? 103 HA 1
   ATOM 2376 CB A LYS A 104 ? 0.66829 -24.63015 16.76100 0.481 19.26623 C ? A ? 103 CB 1
   ATOM 2377 CG A LYS A 104 ? -0.82775 -24.80722 16.68866 0.481 25.32958 C ? A ? 103 CG 1
   ATOM 2378 CD A LYS A 104 ? -1.57725 -23.49959 16.70172 0.481 27.15032 C ? A ? 103 CD 1
   ATOM 2379 CE A LYS A 104 ? -3.03583 -23.69890 16.31085 0.481 33.74692 C ? A ? 103 CE 1
   ATOM 2380 NZ A LYS A 104 ? -3.66664 -24.92213 16.90680 0.481 35.87146 N ? A ? 103 NZ 1
   ATOM 2381 H A LYS A 104 ? 0.43453 -26.07319 18.70024 0.612 16.92212 H ? A ? 103 H 1
   ATOM 2382 HB2 A LYS A 104 ? 0.86788 -24.03362 17.49938 0.481 23.13333 H ? A ? 103 HB2 1
   ATOM 2383 HB3 A LYS A 104 ? 0.96800 -24.23691 15.92647 0.481 23.13333 H ? A ? 103 HB3 1
   ATOM 2384 HG2 A LYS A 104 ? -1.05117 -25.27105 15.86656 0.481 30.40936 H ? A ? 103 HG2 1
   ATOM 2385 HG3 A LYS A 104 ? -1.12126 -25.32708 17.45318 0.481 30.40936 H ? A ? 103 HG3 1
   ATOM 2386 HD2 A LYS A 104 ? -1.54822 -23.11987 17.59384 0.481 32.59425 H ? A ? 103 HD2 1
   ATOM 2387 HD3 A LYS A 104 ? -1.17086 -22.88833 16.06760 0.481 32.59425 H ? A ? 103 HD3 1
   ATOM 2388 HE2 A LYS A 104 ? -3.54600 -22.92974 16.60921 0.481 40.51016 H ? A ? 103 HE2 1
   ATOM 2389 HE3 A LYS A 104 ? -3.09130 -23.77974 15.34582 0.481 40.51016 H ? A ? 103 HE3 1
   ATOM 2390 HZ1 A LYS A 104 ? -4.49611 -24.73839 17.17199 0.481 43.05960 H ? A ? 103 HZ1 1
   ATOM 2391 HZ2 A LYS A 104 ? -3.69449 -25.57523 16.30283 0.481 43.05960 H ? A ? 103 HZ2 1
   ATOM 2392 HZ3 A LYS A 104 ? -3.19342 -25.19755 17.60844 0.481 43.05960 H ? A ? 103 HZ3 1
   ATOM 2393 CB B LYS A 104 ? 0.63408 -24.65813 16.69661 0.519 19.30149 C ? A ? 103 CB 1
   ATOM 2394 CG B LYS A 104 ? -0.79367 -24.90482 16.20728 0.519 26.18687 C ? A ? 103 CG 1
   ATOM 2395 CD B LYS A 104 ? -1.59186 -23.61223 16.09290 0.519 30.64932 C ? A ? 103 CD 1
   ATOM 2396 CE B LYS A 104 ? -3.07540 -23.81161 15.80646 0.519 32.17411 C ? A ? 103 CE 1
   ATOM 2397 NZ B LYS A 104 ? -3.37812 -24.72201 14.67754 0.519 32.04384 N ? A ? 103 NZ 1
   ATOM 2398 H B LYS A 104 ? 0.47592 -26.06048 18.73174 0.388 16.92212 H ? A ? 103 H 1
   ATOM 2399 HB2 B LYS A 104 ? 0.58651 -24.13625 17.51286 0.519 23.17565 H ? A ? 103 HB2 1
   ATOM 2400 HB3 B LYS A 104 ? 1.10525 -24.15938 16.01094 0.519 23.17565 H ? A ? 103 HB3 1
   ATOM 2401 HG2 B LYS A 104 ? -0.76336 -25.31992 15.33111 0.519 31.43810 H ? A ? 103 HG2 1
   ATOM 2402 HG3 B LYS A 104 ? -1.24977 -25.48723 16.83471 0.519 31.43810 H ? A ? 103 HG3 1
   ATOM 2403 HD2 B LYS A 104 ? -1.51813 -23.12709 16.92962 0.519 36.79304 H ? A ? 103 HD2 1
   ATOM 2404 HD3 B LYS A 104 ? -1.22272 -23.08279 15.36879 0.519 36.79304 H ? A ? 103 HD3 1
   ATOM 2405 HE2 B LYS A 104 ? -3.49460 -24.18245 16.59870 0.519 38.62279 H ? A ? 103 HE2 1
   ATOM 2406 HE3 B LYS A 104 ? -3.46689 -22.94925 15.59677 0.519 38.62279 H ? A ? 103 HE3 1
   ATOM 2407 HZ1 B LYS A 104 ? -4.25551 -24.86222 14.62642 0.519 38.46646 H ? A ? 103 HZ1 1
   ATOM 2408 HZ2 B LYS A 104 ? -3.09804 -24.36252 13.91306 0.519 38.46646 H ? A ? 103 HZ2 1
   ATOM 2409 HZ3 B LYS A 104 ? -2.96739 -25.50243 14.79729 0.519 38.46646 H ? A ? 103 HZ3 1
   ATOM 2410 N . LEU A 105 ? 3.46099 -25.36334 18.10599 1.000 10.62277 N ? A ? 104 N 1
   ATOM 2411 CA . LEU A 105 ? 4.89832 -25.16161 18.19529 1.000 10.11982 C ? A ? 104 CA 1
   ATOM 2412 C . LEU A 105 ? 5.64259 -26.44943 17.92831 1.000 9.12429 C ? A ? 104 C 1
   ATOM 2413 O . LEU A 105 ? 6.64495 -26.44969 17.19138 1.000 8.86381 O ? A ? 104 O 1
   ATOM 2414 CB . LEU A 105 ? 5.26044 -24.61652 19.57679 1.000 10.86561 C ? A ? 104 CB 1
   ATOM 2415 CG . LEU A 105 ? 6.69471 -24.11254 19.72728 1.000 13.58551 C ? A ? 104 CG 1
   ATOM 2416 CD1 . LEU A 105 ? 6.81473 -22.69316 19.19459 1.000 12.27421 C ? A ? 104 CD1 1
   ATOM 2417 CD2 . LEU A 105 ? 7.15287 -24.19386 21.16474 1.000 14.87158 C ? A ? 104 CD2 1
   ATOM 2418 H . LEU A 105 ? 3.03195 -25.21915 18.83725 1.000 12.76118 H ? A ? 104 H 1
   ATOM 2419 HA . LEU A 105 ? 5.16593 -24.51010 17.52834 1.000 12.15764 H ? A ? 104 HA 1
   ATOM 2420 HB2 . LEU A 105 ? 4.66979 -23.87318 19.77548 1.000 13.05259 H ? A ? 104 HB2 1
   ATOM 2421 HB3 . LEU A 105 ? 5.13252 -25.32489 20.22698 1.000 13.05259 H ? A ? 104 HB3 1
   ATOM 2422 HG . LEU A 105 ? 7.28338 -24.68040 19.20583 1.000 16.31647 H ? A ? 104 HG 1
   ATOM 2423 HD11 . LEU A 105 ? 7.72468 -22.38313 19.32410 1.000 14.74291 H ? A ? 104 HD11 1
   ATOM 2424 HD12 . LEU A 105 ? 6.59586 -22.69095 18.24960 1.000 14.74291 H ? A ? 104 HD12 1
   ATOM 2425 HD13 . LEU A 105 ? 6.19841 -22.12118 19.67821 1.000 14.74291 H ? A ? 104 HD13 1
   ATOM 2426 HD21 . LEU A 105 ? 8.07490 -23.89763 21.21956 1.000 17.85975 H ? A ? 104 HD21 1
   ATOM 2427 HD22 . LEU A 105 ? 6.58887 -23.62216 21.70878 1.000 17.85975 H ? A ? 104 HD22 1
   ATOM 2428 HD23 . LEU A 105 ? 7.08211 -25.11276 21.46725 1.000 17.85975 H ? A ? 104 HD23 1
   ATOM 2429 N . ARG A 106 ? 5.22852 -27.54619 18.54652 1.000 10.04395 N ? A ? 105 N 1
   ATOM 2430 CA . ARG A 106 ? 5.93735 -28.80313 18.36565 1.000 10.27209 C ? A ? 105 CA 1
   ATOM 2431 C . ARG A 106 ? 5.97771 -29.18038 16.90501 1.000 9.86708 C ? A ? 105 C 1
   ATOM 2432 O . ARG A 106 ? 7.01083 -29.65225 16.39515 1.000 10.56527 O ? A ? 105 O 1
   ATOM 2433 H . ARG A 106 ? 4.54785 -27.58991 19.07032 1.000 12.06660 H ? A ? 105 H 1
   ATOM 2434 HA . ARG A 106 ? 6.81910 -28.66206 18.74448 1.000 12.34037 H ? A ? 105 HA 1
   ATOM 2435 CB A ARG A 106 ? 5.21044 -29.90665 19.11221 0.264 15.05065 C ? A ? 105 CB 1
   ATOM 2436 CG A ARG A 106 ? 5.77666 -30.28890 20.41851 0.264 21.35663 C ? A ? 105 CG 1
   ATOM 2437 CD A ARG A 106 ? 5.64981 -31.80236 20.63770 0.264 20.50767 C ? A ? 105 CD 1
   ATOM 2438 NE A ARG A 106 ? 4.47595 -32.50522 20.11838 0.264 20.35411 N ? A ? 105 NE 1
   ATOM 2439 CZ A ARG A 106 ? 4.11374 -33.73871 20.47702 0.264 20.96347 C ? A ? 105 CZ 1
   ATOM 2440 NH1 A ARG A 106 ? 4.74323 -34.40934 21.43972 0.264 24.22839 N ? A ? 105 NH1 1
   ATOM 2441 NH2 A ARG A 106 ? 3.08568 -34.31890 19.86176 0.264 23.46626 N ? A ? 105 NH2 1
   ATOM 2442 HB2 A ARG A 106 ? 4.29871 -29.61548 19.26992 0.264 18.07464 H ? A ? 105 HB2 1
   ATOM 2443 HB3 A ARG A 106 ? 5.21341 -30.70116 18.55575 0.264 18.07464 H ? A ? 105 HB3 1
   ATOM 2444 HG2 A ARG A 106 ? 6.71636 -30.05015 20.44785 0.264 25.64181 H ? A ? 105 HG2 1
   ATOM 2445 HG3 A ARG A 106 ? 5.29619 -29.83276 21.12703 0.264 25.64181 H ? A ? 105 HG3 1
   ATOM 2446 HD2 A ARG A 106 ? 6.42141 -32.22156 20.22562 0.264 24.62306 H ? A ? 105 HD2 1
   ATOM 2447 HD3 A ARG A 106 ? 5.65864 -31.95933 21.59487 0.264 24.62306 H ? A ? 105 HD3 1
   ATOM 2448 HE A ARG A 106 ? 3.98592 -32.09535 19.54263 0.264 24.43878 H ? A ? 105 HE 1
   ATOM 2449 HH11 A ARG A 106 ? 5.40608 -34.04870 21.85225 0.264 29.08793 H ? A ? 105 HH11 1
   ATOM 2450 HH12 A ARG A 106 ? 4.48698 -35.20315 21.64901 0.264 29.08793 H ? A ? 105 HH12 1
   ATOM 2451 HH21 A ARG A 106 ? 2.66345 -33.89920 19.24114 0.264 28.17336 H ? A ? 105 HH21 1
   ATOM 2452 HH22 A ARG A 106 ? 2.84375 -35.11344 20.08489 0.264 28.17336 H ? A ? 105 HH22 1
   ATOM 2453 CB B ARG A 106 ? 5.26591 -29.97950 19.07960 0.736 15.40857 C ? A ? 105 CB 1
   ATOM 2454 CG B ARG A 106 ? 4.90984 -29.96965 20.54747 0.736 21.68591 C ? A ? 105 CG 1
   ATOM 2455 CD B ARG A 106 ? 4.58719 -31.45691 20.94508 0.736 17.40847 C ? A ? 105 CD 1
   ATOM 2456 NE B ARG A 106 ? 3.40238 -32.08224 20.37215 0.736 20.58908 N ? A ? 105 NE 1
   ATOM 2457 CZ B ARG A 106 ? 3.17476 -33.39753 20.36210 0.736 19.66358 C ? A ? 105 CZ 1
   ATOM 2458 NH1 B ARG A 106 ? 4.09076 -34.26121 20.77046 0.736 16.01107 N ? A ? 105 NH1 1
   ATOM 2459 NH2 B ARG A 106 ? 1.99403 -33.85155 19.95924 0.736 18.09553 N ? A ? 105 NH2 1
   ATOM 2460 HB2 B ARG A 106 ? 4.42839 -30.13824 18.61672 0.736 18.50415 H ? A ? 105 HB2 1
   ATOM 2461 HB3 B ARG A 106 ? 5.85655 -30.74069 18.96720 0.736 18.50415 H ? A ? 105 HB3 1
   ATOM 2462 HG2 B ARG A 106 ? 5.65680 -29.64716 21.07562 0.736 26.03695 H ? A ? 105 HG2 1
   ATOM 2463 HG3 B ARG A 106 ? 4.12933 -29.41526 20.70353 0.736 26.03695 H ? A ? 105 HG3 1
   ATOM 2464 HD2 B ARG A 106 ? 5.34332 -32.00372 20.68020 0.736 20.90402 H ? A ? 105 HD2 1
   ATOM 2465 HD3 B ARG A 106 ? 4.47696 -31.48743 21.90832 0.736 20.90402 H ? A ? 105 HD3 1
   ATOM 2466 HE B ARG A 106 ? 2.81022 -31.56976 20.01677 0.736 24.72076 H ? A ? 105 HE 1
   ATOM 2467 HH11 B ARG A 106 ? 4.85330 -33.97898 21.05058 0.736 19.22714 H ? A ? 105 HH11 1
   ATOM 2468 HH12 B ARG A 106 ? 3.92340 -35.10464 20.75568 0.736 19.22714 H ? A ? 105 HH12 1
   ATOM 2469 HH21 B ARG A 106 ? 1.38414 -33.29979 19.70785 0.736 21.72849 H ? A ? 105 HH21 1
   ATOM 2470 HH22 B ARG A 106 ? 1.83906 -34.69742 19.94966 0.736 21.72849 H ? A ? 105 HH22 1
   ATOM 2471 N A ALA A 107 ? 4.85450 -28.96050 16.18255 0.317 9.60380 N ? A ? 106 N 1
   ATOM 2472 CA A ALA A 107 ? 4.76164 -29.29613 14.75982 0.317 8.78766 C ? A ? 106 CA 1
   ATOM 2473 C A ALA A 107 ? 5.58878 -28.33879 13.90764 0.317 7.84570 C ? A ? 106 C 1
   ATOM 2474 O A ALA A 107 ? 6.28998 -28.76489 12.98148 0.317 6.32885 O ? A ? 106 O 1
   ATOM 2475 CB A ALA A 107 ? 3.29978 -29.30306 14.28392 0.317 11.35970 C ? A ? 106 CB 1
   ATOM 2476 H A ALA A 107 ? 4.13382 -28.61629 16.50152 0.317 11.53842 H ? A ? 106 H 1
   ATOM 2477 HA A ALA A 107 ? 5.11040 -30.19384 14.64412 0.317 10.55905 H ? A ? 106 HA 1
   ATOM 2478 HB1 A ALA A 107 ? 3.27362 -29.55560 13.34774 0.317 13.64550 H ? A ? 106 HB1 1
   ATOM 2479 HB2 A ALA A 107 ? 2.79838 -29.94284 14.81324 0.317 13.64550 H ? A ? 106 HB2 1
   ATOM 2480 HB3 A ALA A 107 ? 2.92647 -28.41501 14.39752 0.317 13.64550 H ? A ? 106 HB3 1
   ATOM 2481 N B ALA A 107 ? 4.82835 -29.15331 16.25024 0.683 10.85895 N ? A ? 106 N 1
   ATOM 2482 CA B ALA A 107 ? 4.78109 -29.61223 14.87894 0.683 11.21734 C ? A ? 106 CA 1
   ATOM 2483 C B ALA A 107 ? 5.67879 -28.74052 14.01098 0.683 8.77571 C ? A ? 106 C 1
   ATOM 2484 O B ALA A 107 ? 6.44806 -29.24892 13.18015 0.683 9.62989 O ? A ? 106 O 1
   ATOM 2485 CB B ALA A 107 ? 3.33298 -29.54675 14.39266 0.683 12.71607 C ? A ? 106 CB 1
   ATOM 2486 H B ALA A 107 ? 4.07896 -28.87969 16.57140 0.683 13.04460 H ? A ? 106 H 1
   ATOM 2487 HA B ALA A 107 ? 5.08740 -30.53025 14.81332 0.683 13.47467 H ? A ? 106 HA 1
   ATOM 2488 HB1 B ALA A 107 ? 3.29695 -29.83725 13.46789 0.683 15.27314 H ? A ? 106 HB1 1
   ATOM 2489 HB2 B ALA A 107 ? 2.78804 -30.12980 14.94401 0.683 15.27314 H ? A ? 106 HB2 1
   ATOM 2490 HB3 B ALA A 107 ? 3.01666 -28.63261 14.46478 0.683 15.27314 H ? A ? 106 HB3 1
   ATOM 2491 N A ALA A 108 ? 5.51284 -27.03466 14.19983 0.317 7.12641 N ? A ? 107 N 1
   ATOM 2492 CA A ALA A 108 ? 6.34629 -26.06979 13.48611 0.317 6.44987 C ? A ? 107 CA 1
   ATOM 2493 C A ALA A 108 ? 7.84776 -26.28080 13.74363 0.317 7.09527 C ? A ? 107 C 1
   ATOM 2494 O A ALA A 108 ? 8.66162 -25.95328 12.86901 0.317 5.71640 O ? A ? 107 O 1
   ATOM 2495 CB A ALA A 108 ? 5.88929 -24.63318 13.77130 0.317 7.14513 C ? A ? 107 CB 1
   ATOM 2496 H A ALA A 108 ? 4.99618 -26.69191 14.79580 0.317 8.56555 H ? A ? 107 H 1
   ATOM 2497 HA A ALA A 108 ? 6.22135 -26.20292 12.53344 0.317 7.75370 H ? A ? 107 HA 1
   ATOM 2498 HB1 A ALA A 108 ? 6.40878 -24.02231 13.22553 0.317 8.58801 H ? A ? 107 HB1 1
   ATOM 2499 HB2 A ALA A 108 ? 4.94756 -24.55222 13.55341 0.317 8.58801 H ? A ? 107 HB2 1
   ATOM 2500 HB3 A ALA A 108 ? 6.02936 -24.43791 14.71106 0.317 8.58801 H ? A ? 107 HB3 1
   ATOM 2501 N B ALA A 108 ? 5.61130 -27.43104 14.21781 0.683 9.36332 N ? A ? 107 N 1
   ATOM 2502 CA B ALA A 108 ? 6.38982 -26.52258 13.38690 0.683 9.16006 C ? A ? 107 CA 1
   ATOM 2503 C B ALA A 108 ? 7.87363 -26.66438 13.64346 0.683 8.21205 C ? A ? 107 C 1
   ATOM 2504 O B ALA A 108 ? 8.69382 -26.53004 12.72564 0.683 7.91884 O ? A ? 107 O 1
   ATOM 2505 CB B ALA A 108 ? 5.99057 -25.08226 13.68736 0.683 9.88240 C ? A ? 107 CB 1
   ATOM 2506 H B ALA A 108 ? 5.13177 -27.04921 14.82102 0.683 11.24984 H ? A ? 107 H 1
   ATOM 2507 HA B ALA A 108 ? 6.20437 -26.73333 12.45841 0.683 11.00593 H ? A ? 107 HA 1
   ATOM 2508 HB1 B ALA A 108 ? 6.53152 -24.48533 13.14703 0.683 11.87274 H ? A ? 107 HB1 1
   ATOM 2509 HB2 B ALA A 108 ? 5.05208 -24.96340 13.47290 0.683 11.87274 H ? A ? 107 HB2 1
   ATOM 2510 HB3 B ALA A 108 ? 6.14001 -24.90297 14.62886 0.683 11.87274 H ? A ? 107 HB3 1
   ATOM 2511 N . PHE A 109 ? 8.22531 -26.81905 14.92374 1.000 8.77991 N ? A ? 108 N 1
   ATOM 2512 CA . PHE A 109 ? 9.62664 -27.04688 15.28917 1.000 8.47720 C ? A ? 108 CA 1
   ATOM 2513 C . PHE A 109 ? 10.17062 -28.22271 14.49975 1.000 9.24896 C ? A ? 108 C 1
   ATOM 2514 O . PHE A 109 ? 11.28031 -28.16481 13.92644 1.000 9.06130 O ? A ? 108 O 1
   ATOM 2515 HA . PHE A 109 ? 10.16229 -26.26012 15.10211 1.000 10.18650 H ? A ? 108 HA 1
   ATOM 2516 CB A PHE A 109 ? 9.68630 -27.36576 16.80434 0.514 8.79793 C ? A ? 108 CB 1
   ATOM 2517 CG A PHE A 109 ? 11.07649 -27.68888 17.34146 0.514 7.74360 C ? A ? 108 CG 1
   ATOM 2518 CD1 A PHE A 109 ? 11.88233 -26.67362 17.83080 0.514 7.93872 C ? A ? 108 CD1 1
   ATOM 2519 CD2 A PHE A 109 ? 11.54286 -28.98591 17.38478 0.514 10.34015 C ? A ? 108 CD2 1
   ATOM 2520 CE1 A PHE A 109 ? 13.13526 -26.94238 18.33288 0.514 8.70776 C ? A ? 108 CE1 1
   ATOM 2521 CE2 A PHE A 109 ? 12.81506 -29.26451 17.89920 0.514 9.22465 C ? A ? 108 CE2 1
   ATOM 2522 CZ A PHE A 109 ? 13.59985 -28.23783 18.37060 0.514 9.97462 C ? A ? 108 CZ 1
   ATOM 2523 H A PHE A 109 ? 7.67434 -27.06329 15.53724 0.317 10.54975 H ? A ? 108 H 1
   ATOM 2524 HB2 A PHE A 109 ? 9.35771 -26.59517 17.29334 0.514 10.57137 H ? A ? 108 HB2 1
   ATOM 2525 HB3 A PHE A 109 ? 9.12144 -28.13482 16.97862 0.514 10.57137 H ? A ? 108 HB3 1
   ATOM 2526 HD1 A PHE A 109 ? 11.57183 -25.79706 17.81983 0.514 9.54032 H ? A ? 108 HD1 1
   ATOM 2527 HD2 A PHE A 109 ? 11.00925 -29.67972 17.07047 0.514 12.42204 H ? A ? 108 HD2 1
   ATOM 2528 HE1 A PHE A 109 ? 13.66859 -26.24826 18.64698 0.514 10.46317 H ? A ? 108 HE1 1
   ATOM 2529 HE2 A PHE A 109 ? 13.12809 -30.13995 17.92205 0.514 11.08344 H ? A ? 108 HE2 1
   ATOM 2530 HZ A PHE A 109 ? 14.44458 -28.41885 18.71491 0.514 11.98341 H ? A ? 108 HZ 1
   ATOM 2531 CB B PHE A 109 ? 9.69354 -27.22826 16.80672 0.486 8.86294 C ? A ? 108 CB 1
   ATOM 2532 CG B PHE A 109 ? 11.08070 -27.34865 17.36480 0.486 7.89485 C ? A ? 108 CG 1
   ATOM 2533 CD1 B PHE A 109 ? 11.79780 -26.23603 17.74073 0.486 8.11618 C ? A ? 108 CD1 1
   ATOM 2534 CD2 B PHE A 109 ? 11.62386 -28.60099 17.57421 0.486 8.49643 C ? A ? 108 CD2 1
   ATOM 2535 CE1 B PHE A 109 ? 13.06903 -26.37464 18.29917 0.486 7.65314 C ? A ? 108 CE1 1
   ATOM 2536 CE2 B PHE A 109 ? 12.87529 -28.74323 18.13858 0.486 9.60190 C ? A ? 108 CE2 1
   ATOM 2537 CZ B PHE A 109 ? 13.59982 -27.62805 18.49987 0.486 8.02097 C ? A ? 108 CZ 1
   ATOM 2538 H B PHE A 109 ? 7.68117 -26.79682 15.58934 0.683 10.54975 H ? A ? 108 H 1
   ATOM 2539 HB2 B PHE A 109 ? 9.27550 -26.46064 17.22732 0.486 10.64938 H ? A ? 108 HB2 1
   ATOM 2540 HB3 B PHE A 109 ? 9.21336 -28.03768 17.04158 0.486 10.64938 H ? A ? 108 HB3 1
   ATOM 2541 HD1 B PHE A 109 ? 11.43382 -25.38847 17.62216 0.486 9.75328 H ? A ? 108 HD1 1
   ATOM 2542 HD2 B PHE A 109 ? 11.14048 -29.35769 17.33200 0.486 10.20958 H ? A ? 108 HD2 1
   ATOM 2543 HE1 B PHE A 109 ? 13.55767 -25.61956 18.53579 0.486 9.19763 H ? A ? 108 HE1 1
   ATOM 2544 HE2 B PHE A 109 ? 13.22979 -29.59211 18.27513 0.486 11.53614 H ? A ? 108 HE2 1
   ATOM 2545 HZ B PHE A 109 ? 14.44428 -27.72232 18.87789 0.486 9.63902 H ? A ? 108 HZ 1
   ATOM 2546 N . GLY A 110 ? 9.40473 -29.30432 14.43411 1.000 9.55774 N ? A ? 109 N 1
   ATOM 2547 CA . GLY A 110 ? 9.84322 -30.45020 13.66945 1.000 10.73866 C ? A ? 109 CA 1
   ATOM 2548 C . GLY A 110 ? 10.03443 -30.13284 12.19814 1.000 9.16487 C ? A ? 109 C 1
   ATOM 2549 O . GLY A 110 ? 10.99978 -30.59063 11.57051 1.000 9.97782 O ? A ? 109 O 1
   ATOM 2550 H . GLY A 110 ? 8.64049 -29.39502 14.81791 1.000 11.48314 H ? A ? 109 H 1
   ATOM 2551 HA2 . GLY A 110 ? 10.68812 -30.76766 14.02480 1.000 12.90025 H ? A ? 109 HA2 1
   ATOM 2552 HA3 . GLY A 110 ? 9.18321 -31.15698 13.74525 1.000 12.90025 H ? A ? 109 HA3 1
   ATOM 2553 N B ASP A 111 ? 9.18207 -29.22875 11.66039 0.582 8.82351 N ? A ? 110 N 1
   ATOM 2554 CA B ASP A 111 ? 9.29117 -28.83411 10.24898 0.582 8.56851 C ? A ? 110 CA 1
   ATOM 2555 C B ASP A 111 ? 10.52402 -27.96815 9.98712 0.582 6.61423 C ? A ? 110 C 1
   ATOM 2556 O B ASP A 111 ? 11.19370 -28.11479 8.95396 0.582 7.05254 O ? A ? 110 O 1
   ATOM 2557 CB B ASP A 111 ? 8.02513 -28.07281 9.77276 0.582 10.59099 C ? A ? 110 CB 1
   ATOM 2558 CG B ASP A 111 ? 6.77933 -28.94876 9.65072 0.582 11.49621 C ? A ? 110 CG 1
   ATOM 2559 OD1 B ASP A 111 ? 6.85821 -30.19138 9.81458 0.582 10.69068 O ? A ? 110 OD1 1
   ATOM 2560 OD2 B ASP A 111 ? 5.68631 -28.37131 9.37477 0.582 10.02691 O ? A ? 110 OD2 1
   ATOM 2561 H B ASP A 111 ? 8.54571 -28.83986 12.08866 0.582 10.60207 H ? A ? 110 H 1
   ATOM 2562 HA B ASP A 111 ? 9.36682 -29.65357 9.73550 0.582 10.29606 H ? A ? 110 HA 1
   ATOM 2563 HB2 B ASP A 111 ? 7.82810 -27.36820 10.40963 0.582 12.72304 H ? A ? 110 HB2 1
   ATOM 2564 HB3 B ASP A 111 ? 8.20256 -27.69032 8.89919 0.582 12.72304 H ? A ? 110 HB3 1
   ATOM 2565 N C ASP A 111 ? 9.07422 -29.47121 11.60151 0.418 8.97828 N ? A ? 110 N 1
   ATOM 2566 CA C ASP A 111 ? 9.25010 -29.17841 10.19174 0.418 7.79757 C ? A ? 110 CA 1
   ATOM 2567 C C ASP A 111 ? 10.50964 -28.35878 9.95245 0.418 7.49712 C ? A ? 110 C 1
   ATOM 2568 O C ASP A 111 ? 11.23670 -28.62772 8.98892 0.418 6.94182 O ? A ? 110 O 1
   ATOM 2569 CB C ASP A 111 ? 7.98312 -28.50486 9.68892 0.418 8.21247 C ? A ? 110 CB 1
   ATOM 2570 CG C ASP A 111 ? 6.82548 -29.48262 9.58065 0.418 12.02410 C ? A ? 110 CG 1
   ATOM 2571 OD1 C ASP A 111 ? 7.07809 -30.69577 9.43488 0.418 13.35504 O ? A ? 110 OD1 1
   ATOM 2572 OD2 C ASP A 111 ? 5.65591 -29.05400 9.64734 0.418 13.85398 O ? A ? 110 OD2 1
   ATOM 2573 H C ASP A 111 ? 8.34651 -29.19207 11.96499 0.418 10.78779 H ? A ? 110 H 1
   ATOM 2574 HA C ASP A 111 ? 9.36827 -29.98832 9.67118 0.418 9.37094 H ? A ? 110 HA 1
   ATOM 2575 HB2 C ASP A 111 ? 7.72915 -27.80105 10.30621 0.418 9.86883 H ? A ? 110 HB2 1
   ATOM 2576 HB3 C ASP A 111 ? 8.14787 -28.13103 8.80914 0.418 9.86883 H ? A ? 110 HB3 1
   ATOM 2577 N B VAL A 112 ? 10.80550 -27.01996 10.89361 0.582 7.47357 N ? A ? 111 N 1
   ATOM 2578 CA B VAL A 112 ? 12.07170 -26.29487 10.82813 0.582 8.43383 C ? A ? 111 CA 1
   ATOM 2579 C B VAL A 112 ? 13.28803 -27.24107 10.86962 0.582 8.69249 C ? A ? 111 C 1
   ATOM 2580 O B VAL A 112 ? 14.21361 -27.10492 10.05323 0.582 7.78863 O ? A ? 111 O 1
   ATOM 2581 CB B VAL A 112 ? 12.12875 -25.18809 11.89412 0.582 8.13059 C ? A ? 111 CB 1
   ATOM 2582 CG1 B VAL A 112 ? 13.52376 -24.59876 11.94230 0.582 7.09159 C ? A ? 111 CG1 1
   ATOM 2583 CG2 B VAL A 112 ? 11.09663 -24.09740 11.60469 0.582 8.07126 C ? A ? 111 CG2 1
   ATOM 2584 H B VAL A 112 ? 10.28882 -26.78623 11.54014 0.582 8.98214 H ? A ? 111 H 1
   ATOM 2585 HA B VAL A 112 ? 12.11117 -25.85858 9.96268 0.582 10.13445 H ? A ? 111 HA 1
   ATOM 2586 HB B VAL A 112 ? 11.91770 -25.57033 12.76029 0.582 9.77056 H ? A ? 111 HB 1
   ATOM 2587 HG11 B VAL A 112 ? 13.50101 -23.77481 12.45366 0.582 8.52377 H ? A ? 111 HG11 1
   ATOM 2588 HG12 B VAL A 112 ? 14.12083 -25.23484 12.36633 0.582 8.52377 H ? A ? 111 HG12 1
   ATOM 2589 HG13 B VAL A 112 ? 13.82171 -24.41812 11.03704 0.582 8.52377 H ? A ? 111 HG13 1
   ATOM 2590 HG21 B VAL A 112 ? 11.14860 -23.42135 12.29835 0.582 9.69937 H ? A ? 111 HG21 1
   ATOM 2591 HG22 B VAL A 112 ? 11.29019 -23.70065 10.74096 0.582 9.69937 H ? A ? 111 HG22 1
   ATOM 2592 HG23 B VAL A 112 ? 10.21168 -24.49449 11.59545 0.582 9.69937 H ? A ? 111 HG23 1
   ATOM 2593 N C VAL A 112 ? 10.79625 -27.41442 10.83995 0.418 5.76699 N ? A ? 111 N 1
   ATOM 2594 CA C VAL A 112 ? 11.98155 -26.57312 10.68618 0.418 5.97419 C ? A ? 111 CA 1
   ATOM 2595 C C VAL A 112 ? 13.22785 -27.42719 10.76806 0.418 6.14990 C ? A ? 111 C 1
   ATOM 2596 O C VAL A 112 ? 14.11263 -27.38860 9.89918 0.418 8.13967 O ? A ? 111 O 1
   ATOM 2597 CB C VAL A 112 ? 12.02742 -25.47791 11.76614 0.418 5.96558 C ? A ? 111 CB 1
   ATOM 2598 CG1 C VAL A 112 ? 13.43360 -24.86438 11.80341 0.418 8.87720 C ? A ? 111 CG1 1
   ATOM 2599 CG2 C VAL A 112 ? 10.97148 -24.45927 11.52535 0.418 7.41739 C ? A ? 111 CG2 1
   ATOM 2600 H C VAL A 112 ? 10.32510 -27.23875 11.53764 0.418 6.93424 H ? A ? 111 H 1
   ATOM 2601 HA C VAL A 112 ? 11.93274 -26.14511 9.81709 0.418 7.18289 H ? A ? 111 HA 1
   ATOM 2602 HB C VAL A 112 ? 11.84531 -25.85887 12.63941 0.418 7.17256 H ? A ? 111 HB 1
   ATOM 2603 HG11 C VAL A 112 ? 13.39676 -24.01881 12.27729 0.418 10.66650 H ? A ? 111 HG11 1
   ATOM 2604 HG12 C VAL A 112 ? 14.03235 -25.47459 12.26170 0.418 10.66650 H ? A ? 111 HG12 1
   ATOM 2605 HG13 C VAL A 112 ? 13.73977 -24.72096 10.89424 0.418 10.66650 H ? A ? 111 HG13 1
   ATOM 2606 HG21 C VAL A 112 ? 10.90809 -23.88063 12.30127 0.418 8.91472 H ? A ? 111 HG21 1
   ATOM 2607 HG22 C VAL A 112 ? 11.20828 -23.93794 10.74239 0.418 8.91472 H ? A ? 111 HG22 1
   ATOM 2608 HG23 C VAL A 112 ? 10.12522 -24.91018 11.37897 0.418 8.91472 H ? A ? 111 HG23 1
   ATOM 2609 N . GLY A 113 ? 13.31791 -28.19474 11.82355 1.000 8.42557 N ? A ? 112 N 1
   ATOM 2610 CA . GLY A 113 ? 14.45270 -29.09290 11.94585 1.000 8.79439 C ? A ? 112 CA 1
   ATOM 2611 C . GLY A 113 ? 14.68088 -29.92421 10.70199 1.000 9.17028 C ? A ? 112 C 1
   ATOM 2612 O . GLY A 113 ? 15.83164 -30.11158 10.25123 1.000 9.95383 O ? A ? 112 O 1
   ATOM 2613 HA2 . GLY A 113 ? 15.25413 -28.57338 12.11526 1.000 10.56712 H ? A ? 112 HA2 1
   ATOM 2614 HA3 . GLY A 113 ? 14.30374 -29.69575 12.69102 1.000 10.56712 H ? A ? 112 HA3 1
   ATOM 2615 H B GLY A 113 ? 12.69481 -28.33147 12.40031 0.582 10.12455 H ? A ? 112 H 1
   ATOM 2616 H C GLY A 113 ? 12.75406 -28.22089 12.47238 0.418 10.12455 H ? A ? 112 H 1
   ATOM 2617 N . ALA A 114 ? 13.59714 -30.41492 10.10010 1.000 8.82195 N ? A ? 113 N 1
   ATOM 2618 CA . ALA A 114 ? 13.72133 -31.20316 8.87475 1.000 10.13974 C ? A ? 113 CA 1
   ATOM 2619 C . ALA A 114 ? 14.28927 -30.35892 7.73858 1.000 8.96126 C ? A ? 113 C 1
   ATOM 2620 O . ALA A 114 ? 15.07162 -30.86647 6.90986 1.000 9.26569 O ? A ? 113 O 1
   ATOM 2621 CB . ALA A 114 ? 12.36323 -31.81689 8.50282 1.000 10.06299 C ? A ? 113 CB 1
   ATOM 2622 H . ALA A 114 ? 12.78972 -30.30784 10.37614 1.000 10.60020 H ? A ? 113 H 1
   ATOM 2623 HA . ALA A 114 ? 14.33365 -31.94076 9.02277 1.000 12.18154 H ? A ? 113 HA 1
   ATOM 2624 HB1 . ALA A 114 ? 12.46153 -32.32920 7.68504 1.000 12.08945 H ? A ? 113 HB1 1
   ATOM 2625 HB2 . ALA A 114 ? 12.07080 -32.39679 9.22331 1.000 12.08945 H ? A ? 113 HB2 1
   ATOM 2626 HB3 . ALA A 114 ? 11.71972 -31.10321 8.37072 1.000 12.08945 H ? A ? 113 HB3 1
   ATOM 2627 N A SER A 115 ? 13.89651 -29.09251 7.65894 0.653 8.02989 N ? A ? 114 N 1
   ATOM 2628 CA A SER A 115 ? 14.48842 -28.19335 6.67453 0.653 8.98408 C ? A ? 114 CA 1
   ATOM 2629 C A SER A 115 ? 15.99393 -27.98835 6.91534 0.653 8.60395 C ? A ? 114 C 1
   ATOM 2630 O A SER A 115 ? 16.78792 -27.98979 5.95289 0.653 8.85581 O ? A ? 114 O 1
   ATOM 2631 CB A SER A 115 ? 13.72825 -26.86176 6.62447 0.653 11.06779 C ? A ? 114 CB 1
   ATOM 2632 OG A SER A 115 ? 12.37216 -26.98783 6.16852 0.653 10.65749 O ? A ? 114 OG 1
   ATOM 2633 H A SER A 115 ? 13.29569 -28.73133 8.15710 0.653 9.64973 H ? A ? 114 H 1
   ATOM 2634 HA A SER A 115 ? 14.39738 -28.59925 5.79825 0.653 10.79476 H ? A ? 114 HA 1
   ATOM 2635 HB2 A SER A 115 ? 13.71491 -26.48528 7.51833 0.653 13.29521 H ? A ? 114 HB2 1
   ATOM 2636 HB3 A SER A 115 ? 14.19813 -26.26573 6.02042 0.653 13.29521 H ? A ? 114 HB3 1
   ATOM 2637 HG A SER A 115 ? 12.00507 -26.23260 6.14650 0.653 12.80284 H ? A ? 114 HG 1
   ATOM 2638 N B SER A 115 ? 13.95903 -29.08569 7.68862 0.347 8.18811 N ? A ? 114 N 1
   ATOM 2639 CA B SER A 115 ? 14.37745 -28.21361 6.59719 0.347 8.03540 C ? A ? 114 CA 1
   ATOM 2640 C B SER A 115 ? 15.83693 -27.78718 6.72687 0.347 6.37563 C ? A ? 114 C 1
   ATOM 2641 O B SER A 115 ? 16.52292 -27.59508 5.71224 0.347 6.65785 O ? A ? 114 O 1
   ATOM 2642 CB B SER A 115 ? 13.44645 -27.01279 6.59053 0.347 7.87546 C ? A ? 114 CB 1
   ATOM 2643 OG B SER A 115 ? 13.62154 -26.19410 5.46802 0.347 11.41408 O ? A ? 114 OG 1
   ATOM 2644 H B SER A 115 ? 13.48323 -28.68653 8.28350 0.347 9.83959 H ? A ? 114 H 1
   ATOM 2645 HA B SER A 115 ? 14.30756 -28.67029 5.74428 0.347 9.65634 H ? A ? 114 HA 1
   ATOM 2646 HB2 B SER A 115 ? 12.53099 -27.33337 6.59757 0.347 9.46441 H ? A ? 114 HB2 1
   ATOM 2647 HB3 B SER A 115 ? 13.61934 -26.48520 7.38593 0.347 9.46441 H ? A ? 114 HB3 1
   ATOM 2648 HG B SER A 115 ? 14.42047 -25.93908 5.42024 0.347 13.71075 H ? A ? 114 HG 1
   ATOM 2649 N A CYS A 116 ? 16.42003 -27.79836 8.19200 0.653 8.79777 N ? A ? 115 N 1
   ATOM 2650 CA A CYS A 116 ? 17.85234 -27.58862 8.41997 0.653 9.42160 C ? A ? 115 CA 1
   ATOM 2651 C A CYS A 116 ? 18.61631 -28.77722 7.86950 0.653 8.62630 C ? A ? 115 C 1
   ATOM 2652 O A CYS A 116 ? 19.66318 -28.64703 7.20998 0.653 9.93423 O ? A ? 115 O 1
   ATOM 2653 CB A CYS A 116 ? 18.21535 -27.49429 9.91510 0.653 8.99336 C ? A ? 115 CB 1
   ATOM 2654 SG A CYS A 116 ? 17.31120 -26.34851 10.99149 0.653 8.30542 S ? A ? 115 SG 1
   ATOM 2655 H A CYS A 116 ? 15.92192 -27.78894 8.89299 0.653 10.57118 H ? A ? 115 H 1
   ATOM 2656 HA A CYS A 116 ? 18.08874 -26.74868 7.99627 0.653 11.31978 H ? A ? 115 HA 1
   ATOM 2657 HB2 A CYS A 116 ? 18.09301 -28.37733 10.29741 0.653 10.80589 H ? A ? 115 HB2 1
   ATOM 2658 HB3 A CYS A 116 ? 19.14872 -27.23581 9.96907 0.653 10.80589 H ? A ? 115 HB3 1
   ATOM 2659 N B CYS A 116 ? 16.31833 -27.60394 7.95659 0.347 6.04447 N ? A ? 115 N 1
   ATOM 2660 CA B CYS A 116 ? 17.75767 -27.50336 8.17040 0.347 6.05291 C ? A ? 115 CA 1
   ATOM 2661 C B CYS A 116 ? 18.47751 -28.76577 7.65561 0.347 7.31301 C ? A ? 115 C 1
   ATOM 2662 O B CYS A 116 ? 19.39585 -28.67813 6.82259 0.347 6.98303 O ? A ? 115 O 1
   ATOM 2663 CB B CYS A 116 ? 18.08845 -27.30378 9.65295 0.347 7.14026 C ? A ? 115 CB 1
   ATOM 2664 SG B CYS A 116 ? 17.13707 -26.13462 10.70115 0.347 7.86010 S ? A ? 115 SG 1
   ATOM 2665 H B CYS A 116 ? 15.84116 -27.53613 8.66885 0.347 7.26722 H ? A ? 115 H 1
   ATOM 2666 HA B CYS A 116 ? 18.07044 -26.72506 7.68325 0.347 7.27735 H ? A ? 115 HA 1
   ATOM 2667 HB2 B CYS A 116 ? 17.99957 -28.17030 10.07972 0.347 8.58217 H ? A ? 115 HB2 1
   ATOM 2668 HB3 B CYS A 116 ? 19.01024 -27.00508 9.69736 0.347 8.58217 H ? A ? 115 HB3 1
   ATOM 2669 N . LYS A 117 ? 18.08561 -29.94964 8.15626 1.000 9.39124 N ? A ? 116 N 1
   ATOM 2670 CA . LYS A 117 ? 18.76604 -31.18482 7.80576 1.000 11.84249 C ? A ? 116 CA 1
   ATOM 2671 C . LYS A 117 ? 18.73045 -31.43516 6.30944 1.000 10.38203 C ? A ? 116 C 1
   ATOM 2672 O . LYS A 117 ? 19.71839 -31.91072 5.73983 1.000 11.52169 O ? A ? 116 O 1
   ATOM 2673 CB . LYS A 117 ? 18.11941 -32.34995 8.54089 1.000 11.93689 C ? A ? 116 CB 1
   ATOM 2674 CG . LYS A 117 ? 18.75559 -33.69919 8.22840 1.000 17.05634 C ? A ? 116 CG 1
   ATOM 2675 CD . LYS A 117 ? 18.03234 -34.80939 8.95904 1.000 20.28945 C ? A ? 116 CD 1
   ATOM 2676 CE . LYS A 117 ? 18.86221 -36.07669 9.08924 1.000 32.35670 C ? A ? 116 CE 1
   ATOM 2677 NZ . LYS A 117 ? 19.40368 -36.47003 7.77618 1.000 29.92950 N ? A ? 116 NZ 1
   ATOM 2678 HA . LYS A 117 ? 19.69438 -31.11646 8.07855 1.000 14.22484 H ? A ? 116 HA 1
   ATOM 2679 HB2 . LYS A 117 ? 18.19829 -32.19896 9.49582 1.000 14.33813 H ? A ? 116 HB2 1
   ATOM 2680 HB3 . LYS A 117 ? 17.18398 -32.39764 8.28871 1.000 14.33813 H ? A ? 116 HB3 1
   ATOM 2681 HG2 . LYS A 117 ? 18.70202 -33.87069 7.27518 1.000 20.48147 H ? A ? 116 HG2 1
   ATOM 2682 HG3 . LYS A 117 ? 19.68284 -33.69495 8.51313 1.000 20.48147 H ? A ? 116 HG3 1
   ATOM 2683 HD2 . LYS A 117 ? 17.80963 -34.50568 9.85294 1.000 24.36119 H ? A ? 116 HD2 1
   ATOM 2684 HD3 . LYS A 117 ? 17.22291 -35.03168 8.47290 1.000 24.36119 H ? A ? 116 HD3 1
   ATOM 2685 HE2 . LYS A 117 ? 19.60278 -35.92021 9.69585 1.000 38.84190 H ? A ? 116 HE2 1
   ATOM 2686 HE3 . LYS A 117 ? 18.30589 -36.79742 9.42383 1.000 38.84190 H ? A ? 116 HE3 1
   ATOM 2687 HZ1 . LYS A 117 ? 19.67861 -37.31613 7.80135 1.000 35.92925 H ? A ? 116 HZ1 1
   ATOM 2688 HZ2 . LYS A 117 ? 18.77531 -36.38899 7.15113 1.000 35.92925 H ? A ? 116 HZ2 1
   ATOM 2689 HZ3 . LYS A 117 ? 20.09261 -35.94870 7.56244 1.000 35.92925 H ? A ? 116 HZ3 1
   ATOM 2690 H A LYS A 117 ? 17.33144 -30.06194 8.55402 0.653 11.28335 H ? A ? 116 H 1
   ATOM 2691 H B LYS A 117 ? 17.42777 -30.05525 8.70002 0.347 11.28335 H ? A ? 116 H 1
   ATOM 2692 N . ALA A 118 ? 17.60533 -31.12469 5.64650 1.000 10.52034 N ? A ? 117 N 1
   ATOM 2693 CA . ALA A 118 ? 17.52247 -31.34732 4.20653 1.000 12.13569 C ? A ? 117 CA 1
   ATOM 2694 C . ALA A 118 ? 18.57169 -30.52870 3.48073 1.000 9.22388 C ? A ? 117 C 1
   ATOM 2695 O . ALA A 118 ? 19.20077 -31.02519 2.53236 1.000 10.98450 O ? A ? 117 O 1
   ATOM 2696 CB . ALA A 118 ? 16.10935 -30.99100 3.69666 1.000 13.09584 C ? A ? 117 CB 1
   ATOM 2697 H . ALA A 118 ? 16.89660 -30.79255 6.00285 1.000 12.63827 H ? A ? 117 H 1
   ATOM 2698 HA . ALA A 118 ? 17.67880 -32.28590 4.01802 1.000 14.57668 H ? A ? 117 HA 1
   ATOM 2699 HB1 . ALA A 118 ? 16.11791 -30.97648 2.72680 1.000 15.72887 H ? A ? 117 HB1 1
   ATOM 2700 HB2 . ALA A 118 ? 15.48184 -31.66012 4.01193 1.000 15.72887 H ? A ? 117 HB2 1
   ATOM 2701 HB3 . ALA A 118 ? 15.86120 -30.11776 4.03837 1.000 15.72887 H ? A ? 117 HB3 1
   ATOM 2702 N . CYS A 119 ? 18.74931 -29.26779 3.87746 1.000 8.88726 N ? A ? 118 N 1
   ATOM 2703 CA . CYS A 119 ? 19.77048 -28.45864 3.23471 1.000 8.37397 C ? A ? 118 CA 1
   ATOM 2704 C . CYS A 119 ? 21.17315 -28.96698 3.53597 1.000 8.76144 C ? A ? 118 C 1
   ATOM 2705 O . CYS A 119 ? 22.00972 -29.10186 2.61749 1.000 9.43438 O ? A ? 118 O 1
   ATOM 2706 CB . CYS A 119 ? 19.61537 -26.99529 3.60110 1.000 8.49789 C ? A ? 118 CB 1
   ATOM 2707 SG . CYS A 119 ? 20.79573 -26.04306 2.62632 1.000 7.97249 S ? A ? 118 SG 1
   ATOM 2708 H . CYS A 119 ? 18.30326 -28.87312 4.49784 1.000 10.67857 H ? A ? 118 H 1
   ATOM 2709 HA . CYS A 119 ? 19.64268 -28.52534 2.27548 1.000 10.06262 H ? A ? 118 HA 1
   ATOM 2710 HB2 . CYS A 119 ? 18.71608 -26.69442 3.39702 1.000 10.21132 H ? A ? 118 HB2 1
   ATOM 2711 HB3 . CYS A 119 ? 19.80228 -26.86651 4.54417 1.000 10.21132 H ? A ? 118 HB3 1
   ATOM 2712 N . HIS A 120 ? 21.47773 -29.23909 4.80589 1.000 9.01215 N ? A ? 119 N 1
   ATOM 2713 CA . HIS A 120 ? 22.80865 -29.74237 5.14202 1.000 9.32417 C ? A ? 119 CA 1
   ATOM 2714 C . HIS A 120 ? 23.11244 -31.03205 4.38129 1.000 9.25080 C ? A ? 119 C 1
   ATOM 2715 O . HIS A 120 ? 24.25312 -31.21838 3.87616 1.000 9.91104 O ? A ? 119 O 1
   ATOM 2716 CB . HIS A 120 ? 22.94475 -29.97935 6.64641 1.000 9.36394 C ? A ? 119 CB 1
   ATOM 2717 CG . HIS A 120 ? 22.88117 -28.71841 7.44828 1.000 8.03131 C ? A ? 119 CG 1
   ATOM 2718 ND1 . HIS A 120 ? 22.49450 -28.70079 8.76712 1.000 8.96951 N ? A ? 119 ND1 1
   ATOM 2719 CD2 . HIS A 120 ? 23.16257 -27.43967 7.12551 1.000 7.65525 C ? A ? 119 CD2 1
   ATOM 2720 CE1 . HIS A 120 ? 22.54491 -27.46009 9.20792 1.000 7.99903 C ? A ? 119 CE1 1
   ATOM 2721 NE2 . HIS A 120 ? 22.94654 -26.66095 8.24128 1.000 7.26338 N ? A ? 119 NE2 1
   ATOM 2722 H . HIS A 120 ? 20.94565 -29.14354 5.47475 1.000 10.82844 H ? A ? 119 H 1
   ATOM 2723 HA . HIS A 120 ? 23.45784 -29.06660 4.89145 1.000 11.20286 H ? A ? 119 HA 1
   ATOM 2724 HB2 . HIS A 120 ? 22.22283 -30.55680 6.94015 1.000 11.25058 H ? A ? 119 HB2 1
   ATOM 2725 HB3 . HIS A 120 ? 23.80000 -30.40204 6.82185 1.000 11.25058 H ? A ? 119 HB3 1
   ATOM 2726 HD1 . HIS A 120 ? 22.25842 -29.38689 9.22880 1.000 10.77727 H ? A ? 119 HD1 1
   ATOM 2727 HD2 . HIS A 120 ? 23.45178 -27.13659 6.29521 1.000 9.20016 H ? A ? 119 HD2 1
   ATOM 2728 HE1 . HIS A 120 ? 22.32943 -27.18961 10.07123 1.000 9.61269 H ? A ? 119 HE1 1
   ATOM 2729 N A ASP A 121 ? 22.13121 -31.92791 4.25223 0.520 9.66027 N ? A ? 120 N 1
   ATOM 2730 CA A ASP A 121 ? 22.36744 -33.18421 3.55178 0.520 10.62612 C ? A ? 120 CA 1
   ATOM 2731 C A ASP A 121 ? 22.81563 -32.94892 2.12952 0.520 10.82684 C ? A ? 120 C 1
   ATOM 2732 O A ASP A 121 ? 23.69235 -33.64862 1.61241 0.520 12.16565 O ? A ? 120 O 1
   ATOM 2733 CB A ASP A 121 ? 21.08556 -34.01967 3.52521 0.520 11.90980 C ? A ? 120 CB 1
   ATOM 2734 CG A ASP A 121 ? 20.77503 -34.66623 4.86107 0.520 10.53441 C ? A ? 120 CG 1
   ATOM 2735 OD1 A ASP A 121 ? 21.64223 -34.67493 5.77339 0.520 12.14295 O ? A ? 120 OD1 1
   ATOM 2736 OD2 A ASP A 121 ? 19.64033 -35.18284 5.02408 0.520 11.95593 O ? A ? 120 OD2 1
   ATOM 2737 H A ASP A 121 ? 21.33285 -31.83189 4.55719 0.520 11.60618 H ? A ? 120 H 1
   ATOM 2738 HA A ASP A 121 ? 23.05995 -33.66667 4.02987 0.520 12.76520 H ? A ? 120 HA 1
   ATOM 2739 HB2 A ASP A 121 ? 20.33974 -33.44587 3.28980 0.520 14.30562 H ? A ? 120 HB2 1
   ATOM 2740 HB3 A ASP A 121 ? 21.18224 -34.72510 2.86649 0.520 14.30562 H ? A ? 120 HB3 1
   ATOM 2741 N B ASP A 121 ? 22.14923 -31.95547 4.30026 0.480 9.58972 N ? A ? 120 N 1
   ATOM 2742 CA B ASP A 121 ? 22.38299 -33.22089 3.61046 0.480 10.96861 C ? A ? 120 CA 1
   ATOM 2743 C B ASP A 121 ? 22.73317 -33.02629 2.12603 0.480 11.33076 C ? A ? 120 C 1
   ATOM 2744 O B ASP A 121 ? 23.53811 -33.79605 1.58914 0.480 13.79417 O ? A ? 120 O 1
   ATOM 2745 CB B ASP A 121 ? 21.19624 -34.19697 3.84084 0.480 10.80936 C ? A ? 120 CB 1
   ATOM 2746 CG B ASP A 121 ? 21.08886 -34.76618 5.29013 0.480 12.24324 C ? A ? 120 CG 1
   ATOM 2747 OD1 B ASP A 121 ? 21.99892 -34.63477 6.14291 0.480 14.29997 O ? A ? 120 OD1 1
   ATOM 2748 OD2 B ASP A 121 ? 20.02834 -35.35897 5.56096 0.480 13.62541 O ? A ? 120 OD2 1
   ATOM 2749 H B ASP A 121 ? 21.36068 -31.87282 4.63337 0.480 11.52152 H ? A ? 120 H 1
   ATOM 2750 HA B ASP A 121 ? 23.15812 -33.65342 4.00161 0.480 13.17619 H ? A ? 120 HA 1
   ATOM 2751 HB2 B ASP A 121 ? 20.36927 -33.72710 3.65047 0.480 12.98509 H ? A ? 120 HB2 1
   ATOM 2752 HB3 B ASP A 121 ? 21.29574 -34.95076 3.23851 0.480 12.98509 H ? A ? 120 HB3 1
   ATOM 2753 N . ALA A 122 ? 22.18628 -31.97599 1.47133 1.000 11.25136 N ? A ? 121 N 1
   ATOM 2754 CA . ALA A 122 ? 22.45907 -31.71254 0.06827 1.000 11.34395 C ? A ? 121 CA 1
   ATOM 2755 C . ALA A 122 ? 23.68887 -30.81876 -0.14972 1.000 9.80552 C ? A ? 121 C 1
   ATOM 2756 O . ALA A 122 ? 24.41347 -30.98955 -1.13706 1.000 12.06756 O ? A ? 121 O 1
   ATOM 2757 CB . ALA A 122 ? 21.25792 -31.06282 -0.62218 1.000 12.96487 C ? A ? 121 CB 1
   ATOM 2758 HA . ALA A 122 ? 22.62446 -32.57285 -0.34815 1.000 13.62660 H ? A ? 121 HA 1
   ATOM 2759 HB1 . ALA A 122 ? 21.48141 -30.89249 -1.55059 1.000 15.57170 H ? A ? 121 HB1 1
   ATOM 2760 HB2 . ALA A 122 ? 20.49953 -31.66530 -0.56968 1.000 15.57170 H ? A ? 121 HB2 1
   ATOM 2761 HB3 . ALA A 122 ? 21.04917 -30.22841 -0.17375 1.000 15.57170 H ? A ? 121 HB3 1
   ATOM 2762 H A ALA A 122 ? 21.59634 -31.45504 1.81800 0.520 13.51549 H ? A ? 121 H 1
   ATOM 2763 H B ALA A 122 ? 21.65272 -31.40667 1.83299 0.480 13.51549 H ? A ? 121 H 1
   ATOM 2764 N . TYR A 123 ? 23.93184 -29.83976 0.74624 1.000 10.15087 N ? A ? 122 N 1
   ATOM 2765 CA . TYR A 123 ? 24.82505 -28.72689 0.45078 1.000 9.45779 C ? A ? 122 CA 1
   ATOM 2766 C . TYR A 123 ? 25.95453 -28.48270 1.42496 1.000 10.10234 C ? A ? 122 C 1
   ATOM 2767 O . TYR A 123 ? 26.74180 -27.56616 1.19592 1.000 10.29183 O ? A ? 122 O 1
   ATOM 2768 CB . TYR A 123 ? 23.99872 -27.43666 0.27157 1.000 10.53301 C ? A ? 122 CB 1
   ATOM 2769 CG . TYR A 123 ? 23.12875 -27.45006 -0.96129 1.000 10.29296 C ? A ? 122 CG 1
   ATOM 2770 CD1 . TYR A 123 ? 23.69137 -27.49155 -2.21689 1.000 11.21505 C ? A ? 122 CD1 1
   ATOM 2771 CD2 . TYR A 123 ? 21.73515 -27.42299 -0.86304 1.000 11.13086 C ? A ? 122 CD2 1
   ATOM 2772 CE1 . TYR A 123 ? 22.90126 -27.53013 -3.35948 1.000 12.88104 C ? A ? 122 CE1 1
   ATOM 2773 CE2 . TYR A 123 ? 20.93172 -27.44194 -1.99374 1.000 12.39516 C ? A ? 122 CE2 1
   ATOM 2774 CZ . TYR A 123 ? 21.51325 -27.49284 -3.23246 1.000 12.54208 C ? A ? 122 CZ 1
   ATOM 2775 OH . TYR A 123 ? 20.67896 -27.52213 -4.34224 1.000 16.15363 O ? A ? 122 OH 1
   ATOM 2776 H . TYR A 123 ? 23.58450 -29.80762 1.53231 1.000 12.19490 H ? A ? 122 H 1
   ATOM 2777 HA . TYR A 123 ? 25.27173 -28.93736 -0.38414 1.000 11.36320 H ? A ? 122 HA 1
   ATOM 2778 HB2 . TYR A 123 ? 23.42088 -27.32490 1.04262 1.000 12.65346 H ? A ? 122 HB2 1
   ATOM 2779 HB3 . TYR A 123 ? 24.60549 -26.68329 0.19973 1.000 12.65346 H ? A ? 122 HB3 1
   ATOM 2780 HD1 . TYR A 123 ? 24.61745 -27.49380 -2.30215 1.000 13.47191 H ? A ? 122 HD1 1
   ATOM 2781 HD2 . TYR A 123 ? 21.33821 -27.39164 -0.02259 1.000 13.37089 H ? A ? 122 HD2 1
   ATOM 2782 HE1 . TYR A 123 ? 23.29452 -27.58035 -4.20074 1.000 15.47111 H ? A ? 122 HE1 1
   ATOM 2783 HE2 . TYR A 123 ? 20.00564 -27.42026 -1.91118 1.000 14.88805 H ? A ? 122 HE2 1
   ATOM 2784 HH . TYR A 123 ? 21.13236 -27.44131 -5.04473 1.000 19.39821 H ? A ? 122 HH 1
   ATOM 2785 N . ARG A 124 ? 26.08065 -29.28608 2.47399 1.000 10.03441 N ? A ? 123 N 1
   ATOM 2786 CA . ARG A 124 ? 27.13832 -29.11129 3.45532 1.000 9.95900 C ? A ? 123 CA 1
   ATOM 2787 C . ARG A 124 ? 28.03480 -30.34992 3.40906 1.000 12.10486 C ? A ? 123 C 1
   ATOM 2788 O . ARG A 124 ? 27.54245 -31.49353 3.45315 1.000 14.00527 O ? A ? 123 O 1
   ATOM 2789 CB . ARG A 124 ? 26.60130 -28.86366 4.86469 1.000 11.04749 C ? A ? 123 CB 1
   ATOM 2790 CG . ARG A 124 ? 27.67821 -28.47180 5.87854 1.000 11.67213 C ? A ? 123 CG 1
   ATOM 2791 CD . ARG A 124 ? 27.09304 -28.12660 7.22215 1.000 10.32644 C ? A ? 123 CD 1
   ATOM 2792 NE . ARG A 124 ? 26.54566 -29.30844 7.87137 1.000 11.60905 N ? A ? 123 NE 1
   ATOM 2793 CZ . ARG A 124 ? 25.92559 -29.30393 9.03989 1.000 11.31713 C ? A ? 123 CZ 1
   ATOM 2794 NH1 . ARG A 124 ? 25.68709 -28.17871 9.68942 1.000 11.56610 N ? A ? 123 NH1 1
   ATOM 2795 NH2 . ARG A 124 ? 25.53559 -30.46101 9.56980 1.000 14.03596 N ? A ? 123 NH2 1
   ATOM 2796 H . ARG A 124 ? 25.55716 -29.94812 2.63909 1.000 12.05515 H ? A ? 123 H 1
   ATOM 2797 HA . ARG A 124 ? 27.66687 -28.32963 3.23050 1.000 11.96466 H ? A ? 123 HA 1
   ATOM 2798 HB2 . ARG A 124 ? 25.95314 -28.14290 4.82859 1.000 13.27085 H ? A ? 123 HB2 1
   ATOM 2799 HB3 . ARG A 124 ? 26.17703 -29.67572 5.18322 1.000 13.27085 H ? A ? 123 HB3 1
   ATOM 2800 HG2 . ARG A 124 ? 28.29006 -29.21506 5.99728 1.000 14.02042 H ? A ? 123 HG2 1
   ATOM 2801 HG3 . ARG A 124 ? 28.15861 -27.69590 5.54974 1.000 14.02042 H ? A ? 123 HG3 1
   ATOM 2802 HD2 . ARG A 124 ? 27.78623 -27.75682 7.79106 1.000 12.40559 H ? A ? 123 HD2 1
   ATOM 2803 HD3 . ARG A 124 ? 26.37865 -27.48062 7.10707 1.000 12.40559 H ? A ? 123 HD3 1
   ATOM 2804 HE . ARG A 124 ? 26.63129 -30.06261 7.46703 1.000 13.94472 H ? A ? 123 HE 1
   ATOM 2805 HH11 . ARG A 124 ? 25.93643 -27.42725 9.35366 1.000 13.89318 H ? A ? 123 HH11 1
   ATOM 2806 HH12 . ARG A 124 ? 25.28246 -28.19759 10.44805 1.000 13.89318 H ? A ? 123 HH12 1
   ATOM 2807 HH21 . ARG A 124 ? 25.68770 -31.19778 9.15309 1.000 16.85701 H ? A ? 123 HH21 1
   ATOM 2808 HH22 . ARG A 124 ? 25.13150 -30.47184 10.32887 1.000 16.85701 H ? A ? 123 HH22 1
   ATOM 2809 N . LYS A 125 ? 29.34426 -30.13850 3.29678 1.000 11.16398 N ? A ? 124 N 1
   ATOM 2810 CA . LYS A 125 ? 30.29081 -31.24553 3.23564 1.000 13.51338 C ? A ? 124 CA 1
   ATOM 2811 C . LYS A 125 ? 30.31489 -32.00328 4.55455 1.000 15.62138 C ? A ? 124 C 1
   ATOM 2812 O . LYS A 125 ? 30.07878 -31.43139 5.61684 1.000 17.49311 O ? A ? 124 O 1
   ATOM 2813 CB . LYS A 125 ? 31.69761 -30.71461 2.95832 1.000 14.80628 C ? A ? 124 CB 1
   ATOM 2814 CG . LYS A 125 ? 31.87036 -29.92996 1.67702 1.000 14.36606 C ? A ? 124 CG 1
   ATOM 2815 CD . LYS A 125 ? 33.32752 -29.63164 1.43887 1.000 15.94638 C ? A ? 124 CD 1
   ATOM 2816 CE . LYS A 125 ? 33.49851 -29.05853 0.05230 1.000 17.63956 C ? A ? 124 CE 1
   ATOM 2817 NZ . LYS A 125 ? 34.93098 -28.85055 -0.27720 1.000 13.22764 N ? A ? 124 NZ 1
   ATOM 2818 H . LYS A 125 ? 29.71007 -29.36136 3.25400 1.000 13.41063 H ? A ? 124 H 1
   ATOM 2819 HA . LYS A 125 ? 30.02742 -31.85125 2.52527 1.000 16.22992 H ? A ? 124 HA 1
   ATOM 2820 HB2 . LYS A 125 ? 31.94981 -30.12875 3.68911 1.000 17.78139 H ? A ? 124 HB2 1
   ATOM 2821 HB3 . LYS A 125 ? 32.30366 -31.47074 2.91499 1.000 17.78139 H ? A ? 124 HB3 1
   ATOM 2822 HG2 . LYS A 125 ? 31.53409 -30.44863 0.92949 1.000 17.25312 H ? A ? 124 HG2 1
   ATOM 2823 HG3 . LYS A 125 ? 31.38877 -29.09044 1.74165 1.000 17.25312 H ? A ? 124 HG3 1
   ATOM 2824 HD2 . LYS A 125 ? 33.64171 -28.98290 2.08796 1.000 19.14952 H ? A ? 124 HD2 1
   ATOM 2825 HD3 . LYS A 125 ? 33.84682 -30.44803 1.50767 1.000 19.14952 H ? A ? 124 HD3 1
   ATOM 2826 HE2 . LYS A 125 ? 33.12193 -29.67229 -0.59762 1.000 21.18133 H ? A ? 124 HE2 1
   ATOM 2827 HE3 . LYS A 125 ? 33.04611 -28.20204 0.00073 1.000 21.18133 H ? A ? 124 HE3 1
   ATOM 2828 HZ1 . LYS A 125 ? 35.08571 -29.08255 -1.12238 1.000 15.88703 H ? A ? 124 HZ1 1
   ATOM 2829 HZ2 . LYS A 125 ? 35.14706 -27.99404 -0.16860 1.000 15.88703 H ? A ? 124 HZ2 1
   ATOM 2830 HZ3 . LYS A 125 ? 35.44134 -29.34713 0.25670 1.000 15.88703 H ? A ? 124 HZ3 1
   ATOM 2831 N . LYS A 126 ? 30.64330 -33.28833 4.48222 1.000 27.01093 N ? A ? 125 N 1
   ATOM 2832 CA . LYS A 126 ? 30.61514 -34.11398 5.68617 1.000 36.74968 C ? A ? 125 CA 1
   ATOM 2833 C . LYS A 126 ? 31.79882 -33.93796 6.62489 1.000 32.24806 C ? A ? 125 C 1
   ATOM 2834 O . LYS A 126 ? 32.74742 -33.20888 6.36782 1.000 40.10768 O ? A ? 125 O 1
   ATOM 2835 CB . LYS A 126 ? 30.54610 -35.61749 5.37117 1.000 48.58989 C ? A ? 125 CB 1
   ATOM 2836 CG . LYS A 126 ? 29.18070 -36.23507 5.27986 1.000 59.92468 C ? A ? 125 CG 1
   ATOM 2837 CD . LYS A 126 ? 28.60368 -36.08374 3.88664 1.000 61.55166 C ? A ? 125 CD 1
   ATOM 2838 CE . LYS A 126 ? 27.18885 -36.62779 3.78885 1.000 63.02841 C ? A ? 125 CE 1
   ATOM 2839 NZ . LYS A 126 ? 26.21419 -35.89450 4.62342 1.000 55.56870 N ? A ? 125 NZ 1
   ATOM 2840 H . LYS A 126 ? 30.88084 -33.69767 3.76415 1.000 32.42697 H ? A ? 125 H 1
   ATOM 2841 HA . LYS A 126 ? 29.81142 -33.81346 6.13852 1.000 44.11348 H ? A ? 125 HA 1
   ATOM 2842 HB2 . LYS A 126 ? 30.97924 -35.76369 4.51565 1.000 58.32173 H ? A ? 125 HB2 1
   ATOM 2843 HB3 . LYS A 126 ? 31.02351 -36.09138 6.07002 1.000 58.32173 H ? A ? 125 HB3 1
   ATOM 2844 HG2 . LYS A 126 ? 29.24016 -37.18113 5.48561 1.000 71.92348 H ? A ? 125 HG2 1
   ATOM 2845 HG3 . LYS A 126 ? 28.58540 -35.79587 5.90726 1.000 71.92348 H ? A ? 125 HG3 1
   ATOM 2846 HD2 . LYS A 126 ? 28.58227 -35.14301 3.65113 1.000 73.87585 H ? A ? 125 HD2 1
   ATOM 2847 HD3 . LYS A 126 ? 29.15849 -36.57072 3.25740 1.000 73.87585 H ? A ? 125 HD3 1
   ATOM 2848 HE2 . LYS A 126 ? 26.89343 -36.56801 2.86686 1.000 75.64795 H ? A ? 125 HE2 1
   ATOM 2849 HE3 . LYS A 126 ? 27.18877 -37.55373 4.07788 1.000 75.64795 H ? A ? 125 HE3 1
   ATOM 2850 HZ1 . LYS A 126 ? 25.39544 -36.21662 4.48932 1.000 66.69630 H ? A ? 125 HZ1 1
   ATOM 2851 HZ2 . LYS A 126 ? 26.42235 -35.98388 5.48411 1.000 66.69630 H ? A ? 125 HZ2 1
   ATOM 2852 HZ3 . LYS A 126 ? 26.22253 -35.02988 4.41252 1.000 66.69630 H ? A ? 125 HZ3 1
   HETATM 2853 N . PCA A 1 ? 29.89117 -7.32499 1.97804 1.000 9.17841 N ? A ? 126 N 1
   HETATM 2854 CA . PCA A 1 ? 30.45384 -6.75988 3.18329 1.000 9.67986 C ? A ? 126 CA 1
   HETATM 2855 C . PCA A 1 ? 31.69882 -7.48027 3.60437 1.000 8.39957 C ? A ? 126 C 1
   HETATM 2856 O . PCA A 1 ? 32.20729 -7.24868 4.68747 1.000 10.69322 O ? A ? 126 O 1
   HETATM 2857 CB . PCA A 1 ? 29.40626 -6.94054 4.27032 1.000 10.12990 C ? A ? 126 CB 1
   HETATM 2858 CG . PCA A 1 ? 28.61018 -8.13147 3.72384 1.000 9.58627 C ? A ? 126 CG 1
   HETATM 2859 CD . PCA A 1 ? 28.86753 -8.14665 2.23439 1.000 8.79311 C ? A ? 126 CD 1
   HETATM 2860 OE . PCA A 1 ? 28.28147 -8.80397 1.44036 1.000 10.05705 O ? A ? 126 OE 1
   HETATM 2861 H2 . PCA A 1 ? 29.16070 -6.88944 1.73672 1.000 11.02795 H ? A ? 126 H2 1
   HETATM 2862 HA . PCA A 1 ? 30.68729 -5.82813 3.04820 1.000 11.62969 H ? A ? 126 HA 1
   HETATM 2863 HB2 . PCA A 1 ? 29.81716 -7.12830 5.12870 1.000 12.16974 H ? A ? 126 HB2 1
   HETATM 2864 HB3 . PCA A 1 ? 28.86292 -6.14356 4.37275 1.000 12.16974 H ? A ? 126 HB3 1
   HETATM 2865 HG2 . PCA A 1 ? 28.89049 -8.98138 4.09797 1.000 11.51738 H ? A ? 126 HG2 1
   HETATM 2866 HG3 . PCA A 1 ? 27.65523 -8.05340 3.87508 1.000 11.51738 H ? A ? 126 HG3 1
   HETATM 2867 C . CMO A 1127 ? 23.49268 -21.64177 8.36391 1.000 7.52588 C ? B ? . C 1
   HETATM 2868 O . CMO A 1127 ? 23.26924 -20.50262 8.59060 1.000 45.14915 O ? B ? . O 1
   HETATM 2869 NB . HEC A 1128 ? 21.68444 -24.62235 9.77562 1.000 7.46507 N ? C ? . NB 1
   HETATM 2870 ND . HEC A 1128 ? 24.57632 -24.65486 6.93228 1.000 7.80005 N ? C ? . ND 1
   HETATM 2871 C1A . HEC A 1128 ? 25.91282 -24.83671 9.66397 1.000 7.84606 C ? C ? . C1A 1
   HETATM 2872 C1B . HEC A 1128 ? 21.82399 -24.78702 11.12010 1.000 7.03643 C ? C ? . C1B 1
   HETATM 2873 C1C . HEC A 1128 ? 20.38015 -24.42434 7.05100 1.000 6.59594 C ? C ? . C1C 1
   HETATM 2874 C1D . HEC A 1128 ? 24.41095 -24.64700 5.58177 1.000 6.67201 C ? C ? . C1D 1
   HETATM 2875 C2A . HEC A 1128 ? 26.50979 -25.06773 10.95945 1.000 9.23039 C ? C ? . C2A 1
   HETATM 2876 C2B . HEC A 1128 ? 20.53273 -24.86826 11.74710 1.000 7.35856 C ? C ? . C2B 1
   HETATM 2877 C2C . HEC A 1128 ? 19.72289 -24.38064 5.75553 1.000 6.73657 C ? C ? . C2C 1
   HETATM 2878 C2D . HEC A 1128 ? 25.67783 -24.72206 4.91245 1.000 7.57907 C ? C ? . C2D 1
   HETATM 2879 C3A . HEC A 1128 ? 25.52736 -25.09741 11.86606 1.000 8.56187 C ? C ? . C3A 1
   HETATM 2880 C3B . HEC A 1128 ? 19.59767 -24.67659 10.76859 1.000 7.23052 C ? C ? . C3B 1
   HETATM 2881 C3C . HEC A 1128 ? 20.69702 -24.40908 4.82537 1.000 6.66803 C ? C ? . C3C 1
   HETATM 2882 C3D . HEC A 1128 ? 26.69513 -24.71744 5.91574 1.000 7.56105 C ? C ? . C3D 1
   HETATM 2883 C4A . HEC A 1128 ? 24.29883 -24.92087 11.17097 1.000 7.07534 C ? C ? . C4A 1
   HETATM 2884 C4B . HEC A 1128 ? 20.31484 -24.54028 9.52556 1.000 6.55915 C ? C ? . C4B 1
   HETATM 2885 C4C . HEC A 1128 ? 21.96904 -24.50123 5.52664 1.000 6.77740 C ? C ? . C4C 1
   HETATM 2886 C4D . HEC A 1128 ? 25.97327 -24.70152 7.17720 1.000 7.87745 C ? C ? . C4D 1
   HETATM 2887 CAA . HEC A 1128 ? 28.01638 -25.24689 11.23405 1.000 10.57278 C ? C ? . CAA 1
   HETATM 2888 CAB . HEC A 1128 ? 18.08820 -24.69072 10.85947 1.000 7.89429 C ? C ? . CAB 1
   HETATM 2889 CAC . HEC A 1128 ? 20.59416 -24.40334 3.27979 1.000 7.96178 C ? C ? . CAC 1
   HETATM 2890 CAD . HEC A 1128 ? 28.18315 -24.75107 5.75136 1.000 7.83467 C ? C ? . CAD 1
   HETATM 2891 CBA . HEC A 1128 ? 28.68894 -23.90675 11.44002 1.000 11.98313 C ? C ? . CBA 1
   HETATM 2892 CBB . HEC A 1128 ? 17.53350 -23.83537 12.02380 1.000 8.76100 C ? C ? . CBB 1
   HETATM 2893 CBC . HEC A 1128 ? 19.36462 -23.67304 2.75549 1.000 8.19772 C ? C ? . CBC 1
   HETATM 2894 CBD . HEC A 1128 ? 28.77135 -23.32293 5.79911 1.000 8.14041 C ? C ? . CBD 1
   HETATM 2895 CGA . HEC A 1128 ? 30.12276 -24.20544 11.79518 1.000 11.96547 C ? C ? . CGA 1
   HETATM 2896 CGD . HEC A 1128 ? 30.26914 -23.29038 5.57946 1.000 7.17079 C ? C ? . CGD 1
   HETATM 2897 CHA . HEC A 1128 ? 26.56149 -24.75954 8.43703 1.000 8.48375 C ? C ? . CHA 1
   HETATM 2898 CHB . HEC A 1128 ? 23.03320 -24.91777 11.73723 1.000 7.53413 C ? C ? . CHB 1
   HETATM 2899 CHC . HEC A 1128 ? 19.73316 -24.40448 8.27322 1.000 7.05520 C ? C ? . CHC 1
   HETATM 2900 CHD . HEC A 1128 ? 23.21723 -24.58928 4.91293 1.000 7.34215 C ? C ? . CHD 1
   HETATM 2901 CMA . HEC A 1128 ? 25.66546 -25.30902 13.37251 1.000 9.96296 C ? C ? . CMA 1
   HETATM 2902 CMB . HEC A 1128 ? 20.33075 -25.06123 13.24963 1.000 8.60442 C ? C ? . CMB 1
   HETATM 2903 CMC . HEC A 1128 ? 18.22340 -24.28062 5.62350 1.000 7.07164 C ? C ? . CMC 1
   HETATM 2904 CMD . HEC A 1128 ? 25.89879 -24.75152 3.39939 1.000 8.67470 C ? C ? . CMD 1
   HETATM 2905 NA . HEC A 1128 ? 24.52962 -24.80629 9.83930 1.000 7.65119 N ? C ? . NA 1
   HETATM 2906 NC . HEC A 1128 ? 21.75188 -24.49236 6.87181 1.000 6.52072 N ? C ? . NC 1
   HETATM 2907 O1A . HEC A 1128 ? 30.99887 -24.29628 10.91857 1.000 12.21074 O ? C ? . O1A 1
   HETATM 2908 O1D . HEC A 1128 ? 30.75590 -22.50672 4.77136 1.000 8.28137 O ? C ? . O1D 1
   HETATM 2909 O2A . HEC A 1128 ? 30.42785 -24.42154 13.01321 0.741 12.83538 O ? C ? . O2A 1
   HETATM 2910 O2D . HEC A 1128 ? 30.97419 -24.07136 6.27653 1.000 8.19502 O ? C ? . O2D 1
   HETATM 2911 FE . HEC A 1128 ? 23.13549 -24.60005 8.35263 1.000 6.73168 Fe ? C ? . FE 1
   HETATM 2912 O1 . SO4 A 1129 ? 32.38256 -34.85570 -0.59653 0.551 33.72315 O ? D ? . O1 1
   HETATM 2913 O2 . SO4 A 1129 ? 31.41099 -32.63048 -0.26219 0.551 31.61712 O ? D ? . O2 1
   HETATM 2914 O3 . SO4 A 1129 ? 31.36259 -34.23575 1.55024 0.551 24.19100 O ? D ? . O3 1
   HETATM 2915 O4 . SO4 A 1129 ? 33.46994 -33.23987 0.82614 0.551 27.71630 O ? D ? . O4 1
   HETATM 2916 S . SO4 A 1129 ? 32.14711 -33.74899 0.37876 0.551 34.62585 S ? D ? . S 1
   HETATM 2918 O . HOH A 2002 ? 26.23496 -10.25108 2.37888 0.840 11.44296 O ? E ? . O 1
   HETATM 2919 O . HOH A 2003 ? 28.79766 -10.69714 -0.15745 0.376 12.11706 O ? E ? . O 1
   HETATM 2920 O . HOH A 2004 ? 34.99032 -5.74092 5.48448 0.865 13.74990 O ? E ? . O 1
   HETATM 2921 O . HOH A 2005 ? 27.35989 -10.61667 -2.03497 0.680 19.09836 O ? E ? . O 1
   HETATM 2922 O . HOH A 2007 ? 37.85796 -7.94323 7.41344 0.825 24.44672 O ? E ? . O 1
   HETATM 2923 O . HOH A 2008 ? 33.71175 -9.37243 7.97728 1.000 13.07676 O ? E ? . O 1
   HETATM 2924 O . HOH A 2009 ? 40.79561 -12.90027 -1.79384 0.953 19.53371 O ? E ? . O 1
   HETATM 2925 O . HOH A 2010 ? 35.44466 -8.42032 6.03910 0.926 11.94296 O ? E ? . O 1
   HETATM 2926 O . HOH A 2012 ? 40.88080 -17.96200 -1.72310 0.711 14.15364 O ? E ? . O 1
   HETATM 2928 O . HOH A 2015 ? 34.78231 -12.33796 10.80186 0.583 11.54930 O ? E ? . O 1
   HETATM 2930 O . HOH A 2018 ? 41.40317 -8.27762 4.35390 0.917 22.55379 O ? E ? . O 1
   HETATM 2931 O . HOH A 2021 ? 35.56963 -10.42744 13.58177 0.991 22.47680 O ? E ? . O 1
   HETATM 2933 O . HOH A 2025 ? 21.99471 -9.73349 5.05536 0.930 18.16844 O ? E ? . O 1
   HETATM 2936 O . HOH A 2028 ? 41.12604 -15.40011 -0.32714 0.913 16.08336 O ? E ? . O 1
   HETATM 2938 O . HOH A 2030 ? 4.40213 -10.79416 27.27820 0.974 24.46734 O ? E ? . O 1
   HETATM 2939 O . HOH A 2031 ? 32.96756 -11.91975 8.78177 0.914 12.74879 O ? E ? . O 1
   HETATM 2940 O . HOH A 2032 ? 39.43062 -13.55904 7.56387 0.925 24.16401 O ? E ? . O 1
   HETATM 2941 O . HOH A 2033 ? 36.93570 -11.44095 9.54901 0.633 19.59656 O ? E ? . O 1
   HETATM 2942 O . HOH A 2034 ? 39.93548 -10.04666 5.64523 0.960 23.22771 O ? E ? . O 1
   HETATM 2943 O . HOH A 2035 ? 24.02336 -25.44011 19.87577 0.982 16.58254 O ? E ? . O 1
   HETATM 2944 O . HOH A 2036 ? 19.11060 -29.35144 17.59723 0.714 23.04542 O ? E ? . O 1
   HETATM 2945 O . HOH A 2037 ? 22.52440 -27.78182 14.67014 0.988 31.43270 O ? E ? . O 1
   HETATM 2946 O . HOH A 2040 ? 32.80923 -18.04760 12.47746 0.608 13.95740 O ? E ? . O 1
   HETATM 2948 O . HOH A 2045 ? 13.70723 -23.38362 28.36649 0.943 8.94868 O ? E ? . O 1
   HETATM 2949 O . HOH A 2046 ? 15.18066 -25.71276 28.26747 1.000 10.87035 O ? E ? . O 1
   HETATM 2950 O . HOH A 2047 ? 12.40554 -32.75665 19.14623 0.754 24.70778 O ? E ? . O 1
   HETATM 2951 O . HOH A 2048 ? 15.65613 -31.36686 16.13565 0.949 23.77947 O ? E ? . O 1
   HETATM 2954 O . HOH A 2051 ? 23.52195 -11.59559 6.18509 1.000 8.60216 O ? E ? . O 1
   HETATM 2955 O . HOH A 2053 ? 16.01838 -31.83325 28.96323 0.728 19.98304 O ? E ? . O 1
   HETATM 2956 O . HOH A 2055 ? 15.71523 -27.62408 30.22833 0.513 9.57235 O ? E ? . O 1
   HETATM 2958 O . HOH A 2059 ? 0.68810 -22.60495 31.25309 0.766 24.30057 O ? E ? . O 1
   HETATM 2959 O . HOH A 2061 ? 0.48755 -21.18363 27.90864 0.953 27.63840 O ? E ? . O 1
   HETATM 2960 O . HOH A 2062 ? 31.07226 -20.75916 14.25089 0.871 20.98466 O ? E ? . O 1
   HETATM 2961 O . HOH A 2063 ? 33.42976 -20.65994 12.41208 0.741 19.72537 O ? E ? . O 1
   HETATM 2962 O . HOH A 2064 ? 36.10400 -20.19317 9.09735 0.545 20.11082 O ? E ? . O 1
   HETATM 2963 O . HOH A 2065 ? 35.74366 -24.23071 7.86170 0.972 18.83281 O ? E ? . O 1
   HETATM 2964 O . HOH A 2066 ? 1.95625 -14.99045 26.96953 0.933 21.33739 O ? E ? . O 1
   HETATM 2965 O . HOH A 2070 ? 5.19850 -13.45101 33.99658 0.969 22.42537 O ? E ? . O 1
   HETATM 2966 O . HOH A 2072 ? 0.91807 -12.82950 23.41250 1.000 36.06974 O ? E ? . O 1
   HETATM 2967 O . HOH A 2073 ? 4.91216 -11.99313 24.83594 0.947 15.04729 O ? E ? . O 1
   HETATM 2971 O . HOH A 2077 ? 14.81811 -11.67137 23.31870 1.000 17.82667 O ? E ? . O 1
   HETATM 2973 O . HOH A 2080 ? 25.61919 -23.87333 18.28221 0.998 14.96400 O ? E ? . O 1
   HETATM 2974 O . HOH A 2081 ? 28.77213 -24.47212 15.20605 0.983 15.10114 O ? E ? . O 1
   HETATM 2975 O . HOH A 2082 ? 14.53667 -10.88434 9.55895 0.816 23.67050 O ? E ? . O 1
   HETATM 2976 O . HOH A 2083 ? 6.64491 -14.19714 10.51673 0.970 18.96399 O ? E ? . O 1
   HETATM 2977 O . HOH A 2086 ? 6.50617 -13.00139 8.20847 0.900 31.92280 O ? E ? . O 1
   HETATM 2982 O . HOH A 2091 ? 20.04666 -10.12221 3.41903 0.883 31.55204 O ? E ? . O 1
   HETATM 2983 O . HOH A 2093 ? 19.67978 -13.35685 1.14696 0.869 20.41457 O ? E ? . O 1
   HETATM 2985 O . HOH A 2097 ? 20.31274 -27.13900 17.01133 0.915 22.72605 O ? E ? . O 1
   HETATM 2986 O . HOH A 2099 ? 22.46589 -23.53478 22.96859 0.977 11.71151 O ? E ? . O 1
   HETATM 2987 O . HOH A 2100 ? 39.37852 -13.34506 -4.24679 0.992 31.52973 O ? E ? . O 1
   HETATM 2989 O . HOH A 2104 ? 18.57572 -29.77171 20.25128 0.832 16.73157 O ? E ? . O 1
   HETATM 2990 O . HOH A 2105 ? 18.71163 -28.64492 24.03280 0.785 16.32318 O ? E ? . O 1
   HETATM 2992 O . HOH A 2108 ? 20.82297 -25.81177 22.81457 1.000 21.11640 O ? E ? . O 1
   HETATM 2993 O . HOH A 2109 ? 14.19639 -22.71819 25.65372 0.939 11.28726 O ? E ? . O 1
   HETATM 2994 O . HOH A 2110 ? 17.47177 -25.10157 26.86437 1.000 10.66592 O ? E ? . O 1
   HETATM 2995 O . HOH A 2111 ? 16.14845 -18.33664 25.11197 0.965 12.78983 O ? E ? . O 1
   HETATM 2996 O . HOH A 2113 ? 21.68882 -17.12919 25.18245 1.000 11.45776 O ? E ? . O 1
   HETATM 2997 O . HOH A 2115 ? 26.58280 -30.31154 -10.81599 0.761 14.78711 O ? E ? . O 1
   HETATM 2998 O . HOH A 2117 ? 23.48881 -25.74262 -14.77936 0.997 31.01957 O ? E ? . O 1
   HETATM 3000 O . HOH A 2119 ? 19.44629 -18.81044 -10.72082 0.994 27.12293 O ? E ? . O 1
   HETATM 3001 O . HOH A 2120 ? 15.69291 -18.80620 -8.29734 0.986 29.43410 O ? E ? . O 1
   HETATM 3002 O . HOH A 2121 ? 15.24086 -31.57823 18.87577 0.717 17.26678 O ? E ? . O 1
   HETATM 3004 O . HOH A 2123 ? 6.98028 -27.68885 27.64376 1.000 11.23946 O ? E ? . O 1
   HETATM 3005 O . HOH A 2128 ? 5.56172 -32.44497 29.84575 0.816 17.51194 O ? E ? . O 1
   HETATM 3006 O . HOH A 2129 ? 14.91776 -30.00669 30.83303 0.916 16.12456 O ? E ? . O 1
   HETATM 3007 O . HOH A 2130 ? 12.67314 -32.80426 32.98492 0.960 14.84815 O ? E ? . O 1
   HETATM 3008 O . HOH A 2131 ? 14.22488 -30.27077 33.99517 0.917 19.94697 O ? E ? . O 1
   HETATM 3009 O . HOH A 2134 ? 14.54047 -34.36494 31.65773 0.897 19.89623 O ? E ? . O 1
   HETATM 3010 O . HOH A 2135 ? 13.86521 -36.95809 30.45476 0.966 30.80920 O ? E ? . O 1
   HETATM 3013 O . HOH A 2138 ? 0.52826 -14.91127 13.26407 0.827 17.78809 O ? E ? . O 1
   HETATM 3014 O . HOH A 2140 ? 9.35925 -22.06622 27.63217 1.000 9.44846 O ? E ? . O 1
   HETATM 3015 O . HOH A 2141 ? 11.54272 -23.46940 30.09814 1.000 9.55822 O ? E ? . O 1
   HETATM 3017 O . HOH A 2144 ? 2.63907 -24.15044 29.94335 0.981 22.83370 O ? E ? . O 1
   HETATM 3018 O . HOH A 2145 ? 2.74043 -19.79029 29.03568 1.000 30.09379 O ? E ? . O 1
   HETATM 3019 O . HOH A 2146 ? 4.97580 -21.93534 32.14925 0.812 15.86034 O ? E ? . O 1
   HETATM 3021 O . HOH A 2149 ? -4.82818 -26.03055 24.01458 0.968 25.58650 O ? E ? . O 1
   HETATM 3022 O . HOH A 2151 ? 4.07557 -16.28099 29.03879 1.000 15.07583 O ? E ? . O 1
   HETATM 3023 O . HOH A 2155 ? 8.63074 -14.63001 29.97877 0.614 13.16131 O ? E ? . O 1
   HETATM 3024 O . HOH A 2157 ? 11.25654 -32.22921 16.63151 0.922 17.41892 O ? E ? . O 1
   HETATM 3025 O . HOH A 2161 ? 3.32261 -14.28789 24.62050 0.983 14.71706 O ? E ? . O 1
   HETATM 3026 O . HOH A 2162 ? 7.61005 -12.29943 24.40997 0.952 12.33698 O ? E ? . O 1
   HETATM 3027 O . HOH A 2164 ? 13.24027 -15.74679 25.60620 0.991 13.33039 O ? E ? . O 1
   HETATM 3028 O . HOH A 2165 ? 14.87151 -17.28514 27.34367 0.940 14.57285 O ? E ? . O 1
   HETATM 3029 O . HOH A 2166 ? 14.41637 -34.95904 8.91925 0.811 20.35188 O ? E ? . O 1
   HETATM 3030 O . HOH A 2168 ? 16.58638 -34.54155 2.29216 0.998 18.68721 O ? E ? . O 1
   HETATM 3032 O . HOH A 2171 ? 7.81707 -15.43237 17.74836 0.995 10.47165 O ? E ? . O 1
   HETATM 3033 O . HOH A 2172 ? 1.39290 -13.05324 20.89100 0.969 25.30827 O ? E ? . O 1
   HETATM 3034 O . HOH A 2173 ? 4.09936 -9.99164 23.09321 1.000 24.52609 O ? E ? . O 1
   HETATM 3038 O . HOH A 2177 ? 25.02989 -27.81038 16.10219 0.813 21.07401 O ? E ? . O 1
   HETATM 3039 O . HOH A 2178 ? 13.27045 -11.33468 21.09484 1.000 13.17984 O ? E ? . O 1
   HETATM 3040 O . HOH A 2179 ? 14.89331 -14.55905 23.59152 0.877 18.93690 O ? E ? . O 1
   HETATM 3042 O . HOH A 2181 ? 14.04378 -20.20731 24.42743 0.933 13.64967 O ? E ? . O 1
   HETATM 3043 O . HOH A 2182 ? 8.99671 -14.56077 15.37009 1.000 10.91619 O ? E ? . O 1
   HETATM 3044 O . HOH A 2184 ? 15.09015 -9.86402 16.75918 0.803 18.27483 O ? E ? . O 1
   HETATM 3045 O . HOH A 2185 ? 8.44346 -10.99118 22.16674 1.000 19.63786 O ? E ? . O 1
   HETATM 3046 O . HOH A 2186 ? 11.04423 -9.94455 21.94948 0.854 24.28653 O ? E ? . O 1
   HETATM 3047 O . HOH A 2187 ? 6.59630 -11.99138 17.43112 0.994 25.47300 O ? E ? . O 1
   HETATM 3048 O . HOH A 2189 ? 6.73849 -12.87984 14.70745 0.950 22.62035 O ? E ? . O 1
   HETATM 3050 O . HOH A 2192 ? 13.05966 -13.09791 8.59003 0.984 18.69998 O ? E ? . O 1
   HETATM 3052 O . HOH A 2194 ? 6.65183 -12.13492 12.21428 0.811 20.99577 O ? E ? . O 1
   HETATM 3054 O . HOH A 2196 ? 8.96231 -12.83655 7.27354 0.869 30.50875 O ? E ? . O 1
   HETATM 3055 O . HOH A 2197 ? 13.07012 -10.30105 11.84847 1.000 32.25422 O ? E ? . O 1
   HETATM 3056 O . HOH A 2198 ? 17.43462 -10.58557 9.63310 1.000 11.75029 O ? E ? . O 1
   HETATM 3057 O . HOH A 2200 ? 20.86838 -13.42808 3.76913 0.808 14.36381 O ? E ? . O 1
   HETATM 3058 O . HOH A 2201 ? 22.42579 -17.93773 -0.76953 0.819 12.87600 O ? E ? . O 1
   HETATM 3059 O . HOH A 2202 ? 21.19250 -14.10700 -0.62260 0.778 23.54529 O ? E ? . O 1
   HETATM 3061 O . HOH A 2205 ? 28.68285 -13.28543 0.37780 1.000 12.28164 O ? E ? . O 1
   HETATM 3062 O . HOH A 2206 ? 24.20100 -18.02932 -2.89283 1.000 15.78789 O ? E ? . O 1
   HETATM 3063 O . HOH A 2207 ? 26.43801 -16.38609 -5.16055 0.628 16.83428 O ? E ? . O 1
   HETATM 3065 O . HOH A 2211 ? 30.96176 -17.82087 -7.21575 0.973 17.93009 O ? E ? . O 1
   HETATM 3066 O . HOH A 2212 ? 36.41977 -18.53792 -2.58268 1.000 17.36446 O ? E ? . O 1
   HETATM 3067 O . HOH A 2214 ? 37.28408 -19.45421 1.59747 0.973 13.82064 O ? E ? . O 1
   HETATM 3068 O . HOH A 2215 ? 32.70762 -23.85662 -1.44133 0.973 13.99503 O ? E ? . O 1
   HETATM 3070 O . HOH A 2217 ? 36.29679 -26.55421 6.57454 0.965 23.64913 O ? E ? . O 1
   HETATM 3071 O . HOH A 2219 ? 30.36595 -27.91813 9.03896 0.998 21.32558 O ? E ? . O 1
   HETATM 3072 O . HOH A 2220 ? 26.25462 -33.30230 2.00717 0.766 19.65067 O ? E ? . O 1
   HETATM 3073 O . HOH A 2221 ? 30.07525 -31.39066 -3.77871 1.000 25.35506 O ? E ? . O 1
   HETATM 3075 O . HOH A 2224 ? 29.46787 -27.26745 -8.75333 0.793 14.45812 O ? E ? . O 1
   HETATM 3076 O . HOH A 2226 ? 29.05711 -30.11735 -9.47123 0.971 18.01958 O ? E ? . O 1
   HETATM 3077 O . HOH A 2227 ? 23.60462 -19.61645 -4.92183 0.984 13.29317 O ? E ? . O 1
   HETATM 3078 O . HOH A 2228 ? 26.16799 -18.96589 -8.79415 0.641 18.50948 O ? E ? . O 1
   HETATM 3080 O . HOH A 2231 ? 22.06046 -25.85313 -12.34609 0.994 31.74526 O ? E ? . O 1
   HETATM 3081 O . HOH A 2232 ? 25.13986 -22.99991 -13.29995 0.853 18.52544 O ? E ? . O 1
   HETATM 3082 O . HOH A 2233 ? 25.68502 -27.88350 -11.18393 0.845 16.90682 O ? E ? . O 1
   HETATM 3083 O . HOH A 2234 ? 25.54716 -27.08889 -13.79310 0.841 20.22507 O ? E ? . O 1
   HETATM 3084 O . HOH A 2235 ? 19.46143 -24.95474 -9.60359 0.989 20.83473 O ? E ? . O 1
   HETATM 3085 O . HOH A 2237 ? 21.78574 -29.05393 -6.28659 0.919 23.25571 O ? E ? . O 1
   HETATM 3088 O . HOH A 2240 ? 20.90217 -19.31860 -4.53599 0.981 14.67315 O ? E ? . O 1
   HETATM 3089 O . HOH A 2241 ? 18.36896 -18.28354 -8.28179 0.852 21.20032 O ? E ? . O 1
   HETATM 3090 O . HOH A 2242 ? 15.10183 -24.85208 -8.69255 0.794 25.14213 O ? E ? . O 1
   HETATM 3091 O . HOH A 2243 ? 14.68051 -20.68159 -6.75573 0.922 21.54443 O ? E ? . O 1
   HETATM 3092 O . HOH A 2244 ? 15.74200 -27.24706 -4.37353 0.875 14.78504 O ? E ? . O 1
   HETATM 3093 O . HOH A 2245 ? 14.41525 -26.84441 -6.71328 0.892 20.04287 O ? E ? . O 1
   HETATM 3097 O . HOH A 2250 ? 18.46405 -14.15068 -6.58069 1.000 40.77737 O ? E ? . O 1
   HETATM 3098 O . HOH A 2251 ? 13.27472 -22.75826 -8.77491 0.764 23.69150 O ? E ? . O 1
   HETATM 3099 O . HOH A 2252 ? 10.98724 -24.08601 -7.97218 0.889 17.58245 O ? E ? . O 1
   HETATM 3100 O . HOH A 2253 ? 13.28483 -18.97205 -4.68157 0.639 20.42966 O ? E ? . O 1
   HETATM 3101 O . HOH A 2254 ? 10.78628 -19.89214 -3.35804 0.976 19.18654 O ? E ? . O 1
   HETATM 3102 O . HOH A 2255 ? 13.12117 -26.89588 -0.69163 0.920 13.35554 O ? E ? . O 1
   HETATM 3104 O . HOH A 2258 ? 15.90583 -26.81890 3.19194 0.944 14.14488 O ? E ? . O 1
   HETATM 3105 O . HOH A 2260 ? 18.78566 -29.59912 -3.73436 0.892 20.55349 O ? E ? . O 1
   HETATM 3106 O . HOH A 2261 ? 17.81410 -32.66389 -1.50660 0.923 27.31407 O ? E ? . O 1
   HETATM 3108 O . HOH A 2263 ? 20.03423 -18.15274 -2.12231 0.927 14.48906 O ? E ? . O 1
   HETATM 3111 O . HOH A 2266 ? 10.78475 -17.44136 2.33443 0.592 14.55633 O ? E ? . O 1
   HETATM 3112 O . HOH A 2267 ? 10.04347 -17.54637 -1.98950 0.751 15.22471 O ? E ? . O 1
   HETATM 3116 O . HOH A 2274 ? 7.43899 -24.65089 10.72731 0.817 10.26623 O ? E ? . O 1
   HETATM 3117 O . HOH A 2275 ? 9.79802 -29.49903 6.81473 0.989 15.44943 O ? E ? . O 1
   HETATM 3118 O . HOH A 2276 ? 4.45349 -15.79284 11.21908 0.964 12.94586 O ? E ? . O 1
   HETATM 3119 O . HOH A 2277 ? 2.13476 -22.59505 12.94035 0.919 16.67018 O ? E ? . O 1
   HETATM 3120 O . HOH A 2278 ? 3.59931 -26.74596 11.40465 0.707 18.27389 O ? E ? . O 1
   HETATM 3121 O . HOH A 2279 ? 9.04802 -15.57019 10.79717 0.755 14.30001 O ? E ? . O 1
   HETATM 3122 O . HOH A 2280 ? -0.17433 -16.67129 15.16299 1.000 16.20483 O ? E ? . O 1
   HETATM 3123 O . HOH A 2281 ? 0.21649 -21.57379 14.30504 0.803 17.79225 O ? E ? . O 1
   HETATM 3124 O . HOH A 2282 ? 2.63863 -16.17479 22.72295 0.999 14.86227 O ? E ? . O 1
   HETATM 3126 O . HOH A 2284 ? 2.88976 -11.31469 15.65993 0.949 32.50644 O ? E ? . O 1
   HETATM 3127 O . HOH A 2285 ? 3.24828 -14.48715 13.34281 0.960 15.81542 O ? E ? . O 1
   HETATM 3129 O . HOH A 2289 ? -0.51914 -19.88660 25.60073 0.912 24.61839 O ? E ? . O 1
   HETATM 3131 O . HOH A 2291 ? -3.21935 -30.55129 23.52303 0.862 20.67167 O ? E ? . O 1
   HETATM 3133 O . HOH A 2296 ? 1.61969 -31.22207 17.32025 0.956 15.35616 O ? E ? . O 1
   HETATM 3135 O . HOH A 2298 ? 2.44275 -25.39778 13.52938 0.945 18.18799 O ? E ? . O 1
   HETATM 3137 O . HOH A 2301 ? 8.62227 -31.74753 17.03137 0.944 23.84931 O ? E ? . O 1
   HETATM 3138 O . HOH A 2303 ? 3.73476 -32.83536 16.46427 0.971 17.63335 O ? E ? . O 1
   HETATM 3139 O . HOH A 2307 ? 5.68713 -37.28768 19.38389 0.997 24.30279 O ? E ? . O 1
   HETATM 3140 O . HOH A 2309 ? 4.00708 -35.91731 17.46108 1.000 19.67219 O ? E ? . O 1
   HETATM 3141 O . HOH A 2310 ? 5.96381 -36.06692 15.43564 0.999 26.04895 O ? E ? . O 1
   HETATM 3142 O . HOH A 2311 ? 13.36269 -31.01943 14.88896 0.980 21.26747 O ? E ? . O 1
   HETATM 3143 O . HOH A 2312 ? 10.88500 -33.77943 11.73901 0.952 29.78103 O ? E ? . O 1
   HETATM 3144 O . HOH A 2313 ? 12.78675 -32.69300 12.62441 0.950 22.14321 O ? E ? . O 1
   HETATM 3145 O . HOH A 2314 ? 8.58425 -31.79503 7.96734 0.990 21.78494 O ? E ? . O 1
   HETATM 3147 O . HOH A 2316 ? 14.96525 -33.63067 11.19089 0.876 23.05283 O ? E ? . O 1
   HETATM 3148 O . HOH A 2317 ? 12.37247 -30.33757 4.82566 0.850 26.01174 O ? E ? . O 1
   HETATM 3149 O . HOH A 2318 ? 15.18548 -33.61828 6.58827 0.995 14.69658 O ? E ? . O 1
   HETATM 3150 O . HOH A 2319 ? 12.07933 -28.20571 3.74670 0.722 15.44299 O ? E ? . O 1
   HETATM 3151 O . HOH A 2320 ? 18.56610 -28.42969 13.14342 0.778 18.74450 O ? E ? . O 1
   HETATM 3152 O . HOH A 2322 ? 18.58071 -33.26907 1.08331 0.993 15.58832 O ? E ? . O 1
   HETATM 3154 O . HOH A 2325 ? 21.85139 -31.25843 10.11111 1.000 19.78209 O ? E ? . O 1
   HETATM 3155 O . HOH A 2326 ? 21.34961 -28.39134 12.32103 0.875 24.90098 O ? E ? . O 1
   HETATM 3156 O . HOH A 2327 ? 20.53590 -35.00739 0.14550 0.911 24.21280 O ? E ? . O 1
   HETATM 3157 O . HOH A 2329 ? 22.40611 -33.34372 8.53467 0.779 24.03197 O ? E ? . O 1
   HETATM 3158 O . HOH A 2331 ? 17.10341 -34.85498 4.99977 0.901 16.75838 O ? E ? . O 1
   HETATM 3159 O . HOH A 2333 ? 27.66965 -31.87700 6.99352 0.733 16.14981 O ? E ? . O 1
   HETATM 3160 O . HOH A 2334 ? 24.42461 -28.74180 12.18979 1.000 20.59867 O ? E ? . O 1
   HETATM 3162 O . HOH A 2338 ? 35.82627 -31.42883 -0.63686 0.952 32.98101 O ? E ? . O 1
   HETATM 3163 O . HOH A 2339 ? 30.10870 -25.32553 8.55098 1.000 11.13595 O ? E ? . O 1
   HETATM 3164 O . HOH A 2342 ? 32.47846 -22.94759 13.89023 0.892 26.72166 O ? E ? . O 1
   HETATM 5448 O . HOH S 2343 ? 10.83591 -26.16545 -4.20632 0.614 11.96502 O ? F ? . O 1
   HETATM 5449 O . HOH S 2344 ? 11.05842 -22.08231 -1.80010 0.625 10.70007 O ? F ? . O 1
   HETATM 5450 O . HOH S 2345 ? 24.42065 -8.65809 1.07395 0.920 17.04264 O ? F ? . O 1
   HETATM 5451 O . HOH S 2346 ? 25.35594 -11.90099 -1.39874 0.941 19.19846 O ? F ? . O 1
   HETATM 5452 O . HOH S 2347 ? 11.09703 -16.47285 8.34645 0.918 18.78528 O ? F ? . O 1
   HETATM 5453 O . HOH S 2348 ? -0.43978 -24.33009 24.48895 0.876 21.03124 O ? F ? . O 1
   HETATM 5454 O . HOH S 2349 ? 9.34611 -20.47043 -0.58313 0.887 19.09542 O ? F ? . O 1
   HETATM 5455 O . HOH S 2350 ? 11.57526 -26.30739 -6.57272 0.466 11.01399 O ? F ? . O 1
   HETATM 5456 O . HOH S 2351 ? 10.67711 -14.46803 8.78299 0.569 13.69055 O ? F ? . O 1
   HETATM 5457 O . HOH S 2352 ? 36.99505 -18.53354 6.90094 0.741 18.28839 O ? F ? . O 1
   HETATM 5459 O . HOH S 2354 ? 23.71176 -8.16155 3.34503 0.696 19.63768 O ? F ? . O 1
   HETATM 5460 O . HOH S 2355 ? 28.44451 -18.06086 -8.63637 0.815 29.12061 O ? F ? . O 1
   HETATM 5461 O . HOH S 2356 ? -3.06985 -27.59805 22.51701 0.934 28.92747 O ? F ? . O 1
   HETATM 5462 O . HOH S 2357 ? 14.68326 -9.86124 19.23830 0.998 26.86852 O ? F ? . O 1
   HETATM 5463 O . HOH S 2358 ? 5.77226 -16.98907 33.21787 0.618 19.05070 O ? F ? . O 1
   HETATM 5466 O . HOH S 2361 ? 0.03069 -16.20868 23.50449 0.995 31.24302 O ? F ? . O 1
   HETATM 5468 O . HOH S 2363 ? 33.97568 -26.54824 1.01518 0.734 24.87407 O ? F ? . O 1
   HETATM 5471 O . HOH S 2366 ? 4.22449 -14.19243 30.46495 0.690 19.63240 O ? F ? . O 1
   HETATM 5472 O . HOH S 2367 ? 14.02482 -25.93615 3.30189 0.260 9.07611 O ? F ? . O 1
   HETATM 5473 O . HOH S 2368 ? 1.04060 -25.42836 28.38206 0.772 23.16053 O ? F ? . O 1
   HETATM 5475 O . HOH S 2370 ? -0.03480 -30.87161 15.13117 0.554 19.48336 O ? F ? . O 1
   HETATM 5476 O . HOH S 2371 ? 33.44726 -25.32978 11.38684 0.816 25.20023 O ? F ? . O 1
   HETATM 5478 O . HOH S 2373 ? 13.86036 -14.26845 27.37213 0.559 23.23598 O ? F ? . O 1
   HETATM 5480 O . HOH S 2375 ? -3.96062 -26.74329 18.98964 1.000 34.33752 O ? F ? . O 1
   HETATM 5481 O . HOH S 2376 ? 24.61639 -14.89119 -1.14501 0.373 14.63115 O ? F ? . O 1
   HETATM 5482 O . HOH S 2377 ? 25.82972 -32.99464 5.48159 0.607 22.00020 O ? F ? . O 1
   HETATM 5483 O . HOH S 2378 ? 20.08305 -15.58178 -2.85216 1.000 47.48674 O ? F ? . O 1
   HETATM 5484 O . HOH S 2379 ? 17.24266 -14.33410 0.44194 1.000 35.54949 O ? F ? . O 1
   HETATM 5485 O . HOH S 2380 ? 35.72578 -10.77398 -0.24147 0.886 27.59826 O ? F ? . O 1
   HETATM 5486 O . HOH S 2381 ? 20.02614 -21.33829 -11.05380 0.998 35.46214 O ? F ? . O 1
   HETATM 5488 O . HOH S 2383 ? -0.00758 -23.52293 26.99463 0.684 22.67285 O ? F ? . O 1
   HETATM 5494 O . HOH S 2389 ? 30.56663 -32.23907 -6.96694 0.600 30.18933 O ? F ? . O 1
   HETATM 5495 O . HOH S 2390 ? 36.93748 -4.09049 6.22557 0.833 36.01906 O ? F ? . O 1
   HETATM 5496 O . HOH S 2391 ? 39.69624 -11.52037 -5.67505 0.461 21.90675 O ? F ? . O 1
   HETATM 5497 O . HOH S 2392 ? 7.56195 -37.54940 20.80596 0.730 32.95091 O ? F ? . O 1
   HETATM 5498 O . HOH S 2393 ? 18.29205 -11.04856 5.17769 0.672 25.10589 O ? F ? . O 1
   HETATM 5499 O . HOH S 2394 ? 9.66404 -13.28093 28.16382 0.381 16.54946 O ? F ? . O 1
   HETATM 5501 O . HOH S 2396 ? -3.16617 -27.52682 15.81681 0.635 26.13277 O ? F ? . O 1
   HETATM 5505 O . HOH S 2400 ? 17.41796 -30.60186 12.18793 0.485 23.38983 O ? F ? . O 1
   HETATM 5509 O . HOH S 2404 ? 10.44951 -14.62596 6.45737 0.532 21.75434 O ? F ? . O 1
   HETATM 5511 O . HOH S 2406 ? 17.27762 -32.90607 12.30429 0.986 37.96342 O ? F ? . O 1
   HETATM 5513 O . HOH S 2408 ? 31.99914 -31.19072 -1.96771 0.765 27.80711 O ? F ? . O 1
   HETATM 5514 O . HOH S 2409 ? 36.85042 -8.64242 10.04625 0.926 39.59984 O ? F ? . O 1
   HETATM 5515 O . HOH S 2410 ? 17.93239 -31.40110 24.42130 0.652 25.61698 O ? F ? . O 1
   HETATM 5520 O . HOH S 2415 ? 13.68131 -11.46491 25.75461 0.400 16.39583 O ? F ? . O 1
   HETATM 5522 O . HOH S 2417 ? 27.17157 -33.25915 -3.45112 1.000 35.27991 O ? F ? . O 1
   HETATM 5526 O . HOH S 2421 ? 22.88391 -31.00950 -5.01639 0.991 37.44543 O ? F ? . O 1
   HETATM 5527 O . HOH S 2422 ? 18.22473 -13.91873 -3.12036 1.000 44.87172 O ? F ? . O 1
   HETATM 5530 O . HOH S 2425 ? 2.17740 -22.17505 29.09035 0.476 25.15526 O ? F ? . O 1
   HETATM 5540 O . HOH S 2435 ? 6.06545 -33.30103 17.36796 0.512 25.18306 O ? F ? . O 1
   HETATM 5542 O . HOH S 2437 ? 3.65086 -19.26801 31.53116 0.655 24.00110 O ? F ? . O 1
   HETATM 5543 O . HOH S 2438 ? 3.94351 -8.97965 18.90835 1.000 41.61534 O ? F ? . O 1
   HETATM 5544 O . HOH S 2439 ? 18.90669 -32.37898 20.88977 0.686 32.91274 O ? F ? . O 1
   HETATM 5553 O . HOH S 2448 ? 5.91646 -13.66417 5.75989 0.746 33.70747 O ? F ? . O 1
   HETATM 5566 O . HOH S 2461 ? 10.65771 -15.38115 4.39498 0.992 34.67985 O ? F ? . O 1
   HETATM 5572 O . HOH S 2467 ? 3.77551 -15.38678 33.99847 0.711 31.07136 O ? F ? . O 1
   HETATM 5578 O . HOH S 2473 ? 28.78446 -29.39926 10.67624 0.784 33.60571 O ? F ? . O 1
   HETATM 5647 O . HOH S 2478 ? 5.10770 -19.13800 22.45645 1.000 9.55881 O ? G ? . O 1
   HETATM 5648 O . HOH S 2479 ? 18.59111 -9.55288 7.29832 0.983 15.82543 O ? G ? . O 1
   HETATM 5649 O . HOH S 2480 ? 13.78685 -15.67723 7.94107 0.851 20.19636 O ? G ? . O 1
   HETATM 5657 O . HOH S 2488 ? 20.76797 -28.14229 21.12038 0.801 22.58581 O ? G ? . O 1
   HETATM 5661 O . HOH S 2492 ? -3.91207 -29.23253 19.30443 0.775 27.84427 O ? G ? . O 1
   HETATM 5666 O . HOH S 2497 ? 24.35832 -30.77552 -9.44371 0.722 24.84045 O ? G ? . O 1
   HETATM 5671 O . HOH S 2502 ? 9.73015 -39.02083 20.40147 0.538 24.90286 O ? G ? . O 1
   HETATM 5678 O . HOH S 2509 ? 36.22121 -13.48288 -3.81306 0.986 44.54046 O ? G ? . O 1
   HETATM 5695 O . HOH S 2526 ? 2.27754 -17.67417 30.13218 0.689 34.21490 O ? G ? . O 1
   HETATM 5696 O . HOH S 2527 ? 37.97254 -27.84021 7.93552 0.673 31.00268 O ? G ? . O 1
   HETATM 5698 O . HOH S 2529 ? 23.87737 -33.30558 6.70594 0.516 28.85206 O ? G ? . O 1
   HETATM 5712 O . HOH S 2543 ? 7.98428 -12.10903 29.40097 0.521 22.98629 O ? G ? . O 1
   HETATM 5713 O . HOH S 2544 ? 31.48840 -31.08154 7.77542 0.773 41.83184 O ? G ? . O 1
   HETATM 5717 O . HOH S 2548 ? 10.51791 -34.74861 20.09256 0.736 30.23219 O ? G ? . O 1
   HETATM 5719 O . HOH S 2550 ? 33.74312 -12.31484 -3.63260 0.836 32.06012 O ? G ? . O 1
   HETATM 5733 O . HOH S 2564 ? 34.93187 -9.29115 -1.78404 0.333 19.08179 O ? G ? . O 1
   HETATM 5756 O . HOH S 2565 ? 35.21404 -16.67330 13.52835 0.593 17.48103 O ? H ? . O 1
   HETATM 5759 O . HOH S 2568 ? 12.09415 -11.10513 14.20617 0.441 18.73202 O ? H ? . O 1
   HETATM 5763 O . HOH S 2572 ? 11.44106 -15.37065 2.26922 0.340 18.70307 O ? H ? . O 1
   HETATM 5769 O . HOH S 2578 ? 20.44084 -23.29523 -12.14423 0.770 36.20741 O ? H ? . O 1
   HETATM 5770 O . HOH S 2579 ? -0.81698 -28.09797 15.46114 0.595 27.50597 O ? H ? . O 1
   HETATM 5774 O . HOH S 2583 ? -2.32816 -16.23051 17.01594 0.650 27.90512 O ? H ? . O 1
   HETATM 5775 O . HOH S 2584 ? 24.68365 -26.29305 -10.74186 0.303 21.57568 O ? H ? . O 1
   HETATM 5777 O . HOH S 2586 ? 35.72629 -29.57545 4.48812 0.578 23.75255 O ? H ? . O 1
   HETATM 5780 O . HOH S 2589 ? 26.17923 -33.48540 -0.75322 0.425 20.39119 O ? H ? . O 1
   HETATM 5794 O . HOH S 2603 ? 10.13888 -30.87276 4.89459 0.333 21.54430 O ? H ? . O 1
   HETATM 5795 O . HOH S 2604 ? 21.69757 -35.41668 10.21375 0.616 29.81273 O ? H ? . O 1
   HETATM 5816 O . HOH S 2625 ? 6.01519 -32.34358 24.55602 0.260 15.88742 O ? H ? . O 1
   HETATM 5823 O . HOH S 2632 ? 14.50543 -16.01944 -7.90045 0.686 32.10835 O ? H ? . O 1
   HETATM 5825 O . HOH S 2634 ? -0.42524 -17.18206 25.65464 0.605 32.42475 O ? H ? . O 1
   HETATM 5828 O . HOH S 2637 ? 9.45038 -15.03039 -3.09182 0.564 31.07641 O ? H ? . O 1
   HETATM 5834 O . HOH S 2643 ? 24.24284 -28.93979 -14.45942 0.361 25.37758 O ? H ? . O 1
   HETATM 5850 O . HOH S 2644 ? 28.33959 -16.29056 -7.32815 0.442 17.59604 O ? I ? . O 1
   HETATM 5851 O . HOH S 2645 ? 39.02574 -18.93816 -1.65681 0.366 15.16834 O ? I ? . O 1
   HETATM 5856 O . HOH S 2650 ? 13.37097 -13.88486 2.09003 0.600 20.48150 O ? I ? . O 1
   HETATM 5860 O . HOH S 2654 ? 17.00794 -33.47122 19.40086 0.635 25.91118 O ? I ? . O 1
   HETATM 5877 O . HOH S 2671 ? 0.94736 -24.46899 11.92729 0.414 20.71459 O ? I ? . O 1
   HETATM 5879 O . HOH S 2673 ? 34.82573 -19.92087 10.90634 0.263 16.42829 O ? I ? . O 1
   HETATM 5882 O . HOH S 2676 ? 11.54369 -21.00583 26.65939 0.370 19.78256 O ? I ? . O 1
   HETATM 5887 O . HOH S 2681 ? 41.35697 -12.97871 6.47859 0.372 23.28886 O ? I ? . O 1
   HETATM 5890 O . HOH S 2684 ? 20.25432 -28.44980 14.78047 0.226 15.42664 O ? I ? . O 1
   HETATM 5898 O . HOH S 2692 ? 41.55581 -6.83587 2.15195 0.523 27.87591 O ? I ? . O 1
   HETATM 5900 O . HOH S 2694 ? 18.07183 -9.19668 2.99438 0.267 13.39122 O ? I ? . O 1
   HETATM 5915 O . HOH S 2709 ? 2.74705 -12.36666 11.66477 0.474 26.59190 O ? I ? . O 1
   HETATM 5916 O . HOH S 2710 ? 17.03375 -30.35243 18.42614 0.236 19.35934 O ? I ? . O 1
   HETATM 5918 O . HOH S 2712 ? 35.41737 -25.35683 10.18733 0.296 19.07151 O ? I ? . O 1
   HETATM 5928 O . HOH S 2722 ? 40.83394 -12.25073 10.07729 0.498 36.34422 O ? I ? . O 1
   HETATM 5940 O . HOH S 2725 ? 25.08529 -33.00766 8.58313 0.530 22.79438 O ? J ? . O 1
   HETATM 5954 O . HOH S 2739 ? 21.51896 -34.32656 -2.53293 0.617 25.81745 O ? J ? . O 1
   HETATM 5965 O . HOH S 2750 ? 19.94838 -32.23396 -3.76023 0.597 25.96862 O ? J ? . O 1
   HETATM 5991 O . HOH S 2776 ? 2.31494 -12.15992 9.39081 0.454 26.10909 O ? J ? . O 1
   HETATM 6005 O . HOH S 2790 ? 0.20629 -18.67047 27.46736 0.263 20.69388 O ? J ? . 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_CMO
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
   CMO C C CS 0.000
   CMO O O O 0.000

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
   CMO C n/a O START
   CMO O C . END

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
   CMO O C coval 1.230 0.020

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
   CMO . 'CARBON MONOXIDE                     ' non-polymer 2 2 .

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 .

data_comp_SO4
loop_
  _chem_comp_atom.comp_id
  _chem_comp_atom.atom_id
  _chem_comp_atom.type_symbol
  _chem_comp_atom.type_energy
  _chem_comp_atom.charge
  _chem_comp_atom.partial_charge
  _chem_comp_atom.x
  _chem_comp_atom.y
  _chem_comp_atom.z
   SO4 S S S 0 1.474 16.5170 34.9547 5.4718
   SO4 O1 O OS 0 -0.869 17.8362 34.8083 4.7766
   SO4 O2 O OS 0 -0.868 16.6534 35.9274 6.6034
   SO4 O3 O OS -1 -0.869 15.4961 35.4603 4.4975
   SO4 O4 O OS -1 -0.868 16.0830 33.6233 6.0060

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
   SO4 S O1 deloc 1.498 0.020 1.498
   SO4 S O2 deloc 1.498 0.020 1.498
   SO4 S O3 deloc 1.499 0.020 1.499
   SO4 S O4 deloc 1.499 0.020 1.499

loop_
  _chem_comp_angle.comp_id
  _chem_comp_angle.atom_id_1
  _chem_comp_angle.atom_id_2
  _chem_comp_angle.atom_id_3
  _chem_comp_angle.value_angle
  _chem_comp_angle.value_angle_esd
   SO4 O4 S O3 109.51 3.000
   SO4 O4 S O2 109.50 3.000
   SO4 O3 S O2 109.51 3.000
   SO4 O4 S O1 109.48 3.000
   SO4 O3 S O1 109.33 3.000
   SO4 O2 S O1 109.49 3.000

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
   SO4 SO4 'sulfate                  ' ligand 5 5 .

